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 1ggh_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VAARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 28 S N -0.082 115.596 115.700 -0.036 0.000 4.344 28 S HA -0.002 4.481 4.470 0.022 0.000 0.189 28 S C 0.217 174.780 174.600 -0.062 0.000 0.768 28 S CA -0.056 58.115 58.200 -0.048 0.000 0.976 28 S CB -1.418 61.759 63.200 -0.039 0.000 0.443 28 S HN 0.211 nan 8.310 nan 0.000 0.807 29 L N 0.975 122.152 121.223 -0.076 0.000 2.554 29 L HA 0.482 4.835 4.340 0.022 0.000 0.225 29 L C 1.448 178.239 176.870 -0.131 0.000 1.104 29 L CA 0.517 55.308 54.840 -0.082 0.000 0.866 29 L CB -0.213 41.810 42.059 -0.059 0.000 1.047 29 L HN 0.628 nan 8.230 nan 0.000 0.468 30 A N 1.844 124.530 122.820 -0.224 0.000 2.466 30 A HA 0.324 4.657 4.320 0.022 0.000 0.238 30 A C -2.012 175.424 177.584 -0.247 0.000 1.074 30 A CA -0.757 51.025 52.037 -0.424 0.000 0.774 30 A CB -0.633 17.827 19.000 -0.899 0.000 1.015 30 A HN 0.003 nan 8.150 nan 0.000 0.498 31 P HA 0.194 nan 4.420 nan 0.000 0.276 31 P C -0.511 176.771 177.300 -0.030 0.000 1.243 31 P CA -0.151 62.914 63.100 -0.058 0.000 0.768 31 P CB 0.701 32.404 31.700 0.005 0.000 0.856 32 E N 3.521 123.709 120.200 -0.021 0.000 2.366 32 E HA 0.077 4.440 4.350 0.022 0.000 0.266 32 E C 0.533 177.147 176.600 0.023 0.000 1.015 32 E CA 0.735 57.135 56.400 -0.000 0.000 0.906 32 E CB 0.072 29.770 29.700 -0.005 0.000 0.979 32 E HN 0.638 nan 8.360 nan 0.000 0.443 33 D N 2.635 123.060 120.400 0.043 0.000 4.339 33 D HA -0.122 4.531 4.640 0.022 0.000 0.115 33 D C 0.930 177.275 176.300 0.076 0.000 0.409 33 D CA 0.900 54.928 54.000 0.048 0.000 0.597 33 D CB -1.681 39.142 40.800 0.039 0.000 1.630 33 D HN 1.140 nan 8.370 nan 0.000 0.168 34 G N 0.450 109.334 108.800 0.140 0.000 2.153 34 G HA2 -0.275 3.698 3.960 0.022 0.000 0.252 34 G HA3 -0.275 3.698 3.960 0.022 0.000 0.252 34 G C 0.884 175.874 174.900 0.150 0.000 0.994 34 G CA 1.543 46.771 45.100 0.213 0.000 0.698 34 G HN 1.567 nan 8.290 nan 0.000 0.521 35 S N 0.350 116.145 115.700 0.157 0.000 2.607 35 S HA 0.007 4.490 4.470 0.022 0.000 0.224 35 S C 1.868 176.524 174.600 0.095 0.000 0.969 35 S CA 1.029 59.279 58.200 0.083 0.000 0.927 35 S CB -0.483 62.755 63.200 0.063 0.000 0.772 35 S HN 0.943 nan 8.310 nan 0.000 0.533 36 H N 0.713 119.790 119.070 0.012 0.000 2.535 36 H HA 0.298 4.867 4.556 0.022 0.000 0.273 36 H C 0.764 176.104 175.328 0.020 0.000 0.983 36 H CA 0.170 56.226 56.048 0.013 0.000 1.238 36 H CB -0.286 29.483 29.762 0.011 0.000 1.412 36 H HN 0.365 nan 8.280 nan 0.000 0.562 37 R N 2.910 123.073 120.500 -0.563 0.000 2.295 37 R HA 0.344 4.697 4.340 0.022 0.000 0.324 37 R C -2.629 173.572 176.300 -0.164 0.000 0.968 37 R CA -2.219 53.641 56.100 -0.400 0.000 0.837 37 R CB 0.961 30.911 30.300 -0.584 0.000 1.133 37 R HN 0.087 nan 8.270 nan 0.000 0.450 38 P HA 0.157 nan 4.420 nan 0.000 0.275 38 P C -0.899 176.390 177.300 -0.019 0.000 1.227 38 P CA -0.424 62.661 63.100 -0.025 0.000 0.781 38 P CB 1.117 32.826 31.700 0.015 0.000 0.906 39 A N 2.777 125.593 122.820 -0.006 0.000 2.511 39 A HA 0.368 4.701 4.320 0.022 0.000 0.242 39 A C 1.000 178.592 177.584 0.014 0.000 1.069 39 A CA 0.042 52.080 52.037 0.001 0.000 0.763 39 A CB -0.443 18.561 19.000 0.005 0.000 1.001 39 A HN 0.591 nan 8.150 nan 0.000 0.498 40 A N 2.645 125.473 122.820 0.013 0.000 3.063 40 A HA 0.507 4.840 4.320 0.022 0.000 0.263 40 A C 0.269 177.868 177.584 0.026 0.000 1.736 40 A CA 0.426 52.476 52.037 0.022 0.000 1.408 40 A CB -0.865 18.146 19.000 0.018 0.000 1.108 40 A HN 1.033 nan 8.150 nan 0.000 0.621 41 E N 0.223 120.440 120.200 0.030 0.000 2.390 41 E HA 0.535 4.898 4.350 0.022 0.000 0.280 41 E C -3.311 173.309 176.600 0.033 0.000 0.992 41 E CA -1.729 54.689 56.400 0.031 0.000 0.790 41 E CB 1.142 30.856 29.700 0.023 0.000 1.248 41 E HN 0.035 nan 8.360 nan 0.000 0.447 42 P HA 0.110 nan 4.420 nan 0.000 0.262 42 P C -1.059 176.250 177.300 0.015 0.000 1.182 42 P CA 0.337 63.449 63.100 0.021 0.000 0.761 42 P CB 0.502 32.202 31.700 -0.001 0.000 0.795 43 T N 0.867 115.427 114.554 0.010 0.000 2.956 43 T HA 0.580 4.944 4.350 0.022 0.000 0.312 43 T C -3.065 171.615 174.700 -0.034 0.000 1.151 43 T CA -2.619 59.483 62.100 0.003 0.000 1.024 43 T CB 1.585 70.459 68.868 0.009 0.000 1.140 43 T HN 0.008 nan 8.240 nan 0.000 0.473 44 P HA 0.315 nan 4.420 nan 0.000 0.270 44 P C -2.708 174.458 177.300 -0.223 0.000 1.223 44 P CA -1.406 61.561 63.100 -0.222 0.000 0.785 44 P CB -1.007 30.638 31.700 -0.091 0.000 0.923 45 P HA 0.027 nan 4.420 nan 0.000 0.261 45 P C 1.121 178.373 177.300 -0.081 0.000 1.183 45 P CA 1.454 64.451 63.100 -0.171 0.000 0.761 45 P CB -0.269 31.321 31.700 -0.183 0.000 0.785 46 G N 2.844 111.628 108.800 -0.027 0.000 2.253 46 G HA2 -0.354 3.619 3.960 0.022 0.000 0.251 46 G HA3 -0.354 3.619 3.960 0.022 0.000 0.251 46 G C 1.199 176.098 174.900 -0.002 0.000 0.998 46 G CA 0.486 45.583 45.100 -0.005 0.000 0.621 46 G HN 0.671 nan 8.290 nan 0.000 0.524 47 A N -0.694 122.120 122.820 -0.010 0.000 1.898 47 A HA 0.344 4.677 4.320 0.022 0.000 0.216 47 A C 1.440 179.028 177.584 0.007 0.000 1.181 47 A CA 2.171 54.208 52.037 -0.001 0.000 0.620 47 A CB -0.094 18.903 19.000 -0.004 0.000 0.819 47 A HN 0.580 nan 8.150 nan 0.000 0.442 48 Q N -1.238 118.570 119.800 0.013 0.000 2.528 48 Q HA 0.472 4.825 4.340 0.022 0.000 0.289 48 Q C -2.944 173.073 176.000 0.027 0.000 1.091 48 Q CA -2.273 53.542 55.803 0.019 0.000 0.797 48 Q CB 0.280 29.031 28.738 0.023 0.000 1.466 48 Q HN 0.059 nan 8.270 nan 0.000 0.436 49 P HA 0.043 nan 4.420 nan 0.000 0.268 49 P C -0.259 177.074 177.300 0.056 0.000 1.205 49 P CA 0.088 63.205 63.100 0.027 0.000 0.771 49 P CB 0.280 31.992 31.700 0.020 0.000 0.858 50 T N -0.288 114.303 114.554 0.061 0.000 2.813 50 T HA 0.629 4.992 4.350 0.022 0.000 0.297 50 T C -0.008 174.799 174.700 0.178 0.000 1.036 50 T CA -0.479 61.715 62.100 0.157 0.000 1.044 50 T CB 0.727 69.646 68.868 0.085 0.000 0.993 50 T HN 0.554 nan 8.240 nan 0.000 0.535 51 A N 1.442 124.471 122.820 0.349 0.000 2.602 51 A HA 0.775 5.108 4.320 0.022 0.000 0.290 51 A C -3.078 174.777 177.584 0.452 0.000 1.114 51 A CA -2.006 50.201 52.037 0.283 0.000 0.683 51 A CB 0.435 19.537 19.000 0.170 0.000 1.281 51 A HN 0.653 nan 8.150 nan 0.000 0.416 52 P HA 0.083 nan 4.420 nan 0.000 0.264 52 P C 1.226 178.673 177.300 0.245 0.000 1.179 52 P CA 1.132 64.440 63.100 0.347 0.000 0.763 52 P CB 0.551 32.378 31.700 0.211 0.000 0.806 53 G N 2.247 111.150 108.800 0.171 0.000 2.440 53 G HA2 -0.290 3.683 3.960 0.022 0.000 0.218 53 G HA3 -0.290 3.683 3.960 0.022 0.000 0.218 53 G C 1.550 176.465 174.900 0.025 0.000 1.154 53 G CA 1.100 46.212 45.100 0.021 0.000 0.767 53 G HN 0.591 nan 8.290 nan 0.000 0.552 54 S N -0.035 115.685 115.700 0.034 0.000 2.481 54 S HA 0.146 4.629 4.470 0.022 0.000 0.231 54 S C 2.182 176.799 174.600 0.028 0.000 0.996 54 S CA 0.754 58.960 58.200 0.010 0.000 0.942 54 S CB -0.157 63.041 63.200 -0.003 0.000 0.768 54 S HN 0.322 nan 8.310 nan 0.000 0.520 55 L N -0.232 121.023 121.223 0.054 0.000 2.298 55 L HA 0.289 4.642 4.340 0.022 0.000 0.209 55 L C 2.640 179.539 176.870 0.048 0.000 1.084 55 L CA 0.709 55.579 54.840 0.051 0.000 0.816 55 L CB -0.321 41.776 42.059 0.064 0.000 0.967 55 L HN 0.233 nan 8.230 nan 0.000 0.460 56 K N 1.482 121.920 120.400 0.064 0.000 2.103 56 K HA 0.038 4.371 4.320 0.022 0.000 0.204 56 K C 0.740 177.366 176.600 0.042 0.000 1.052 56 K CA 1.279 57.603 56.287 0.062 0.000 0.945 56 K CB 0.130 32.682 32.500 0.087 0.000 0.722 56 K HN 0.151 nan 8.250 nan 0.000 0.443 57 A N 0.727 123.564 122.820 0.029 0.000 3.317 57 A HA 0.341 4.674 4.320 0.022 0.000 0.307 57 A C -2.151 175.437 177.584 0.006 0.000 1.003 57 A CA -0.993 51.059 52.037 0.025 0.000 0.882 57 A CB 0.560 19.578 19.000 0.031 0.000 1.136 57 A HN 0.141 nan 8.150 nan 0.000 0.488 58 P HA -0.168 nan 4.420 nan 0.000 0.219 58 P C 0.179 177.470 177.300 -0.014 0.000 1.146 58 P CA 1.291 64.388 63.100 -0.005 0.000 0.808 58 P CB 0.293 31.994 31.700 0.002 0.000 0.779 59 D N -0.904 119.492 120.400 -0.006 0.000 2.347 59 D HA -0.009 4.644 4.640 0.022 0.000 0.213 59 D C 0.408 176.695 176.300 -0.023 0.000 0.985 59 D CA 0.688 54.681 54.000 -0.011 0.000 0.879 59 D CB -0.669 40.133 40.800 0.002 0.000 0.919 59 D HN 0.136 nan 8.370 nan 0.000 0.526 60 T N 3.054 117.593 114.554 -0.026 0.000 2.738 60 T HA 0.248 4.611 4.350 0.022 0.000 0.294 60 T C 0.470 175.122 174.700 -0.081 0.000 0.914 60 T CA -0.351 61.718 62.100 -0.052 0.000 1.052 60 T CB 0.787 69.622 68.868 -0.055 0.000 0.897 60 T HN -0.146 nan 8.240 nan 0.000 0.522 61 R N 3.019 123.464 120.500 -0.092 0.000 2.888 61 R HA 0.689 5.042 4.340 0.022 0.000 0.266 61 R C -0.271 175.962 176.300 -0.111 0.000 1.020 61 R CA -1.082 54.957 56.100 -0.102 0.000 0.963 61 R CB 1.538 31.788 30.300 -0.085 0.000 1.197 61 R HN 0.801 nan 8.270 nan 0.000 0.481 62 N N -2.589 116.048 118.700 -0.105 0.000 3.020 62 N HA 0.045 4.798 4.740 0.022 0.000 0.248 62 N C 0.203 175.664 175.510 -0.081 0.000 1.480 62 N CA -0.775 52.227 53.050 -0.080 0.000 0.874 62 N CB 0.737 39.207 38.487 -0.029 0.000 1.433 62 N HN 0.551 nan 8.380 nan 0.000 0.530 63 E N -0.217 119.950 120.200 -0.055 0.000 2.118 63 E HA -0.267 4.096 4.350 0.022 0.000 0.195 63 E C 1.032 177.558 176.600 -0.124 0.000 0.992 63 E CA 1.428 57.789 56.400 -0.066 0.000 0.804 63 E CB 0.087 29.772 29.700 -0.024 0.000 0.741 63 E HN 0.507 nan 8.360 nan 0.000 0.458 64 K N 0.660 120.953 120.400 -0.178 0.000 2.062 64 K HA -0.050 4.283 4.320 0.022 0.000 0.205 64 K C 2.137 178.570 176.600 -0.279 0.000 1.051 64 K CA 0.950 57.040 56.287 -0.329 0.000 0.941 64 K CB -0.287 31.858 32.500 -0.592 0.000 0.719 64 K HN 0.172 nan 8.250 nan 0.000 0.440 65 L N 0.851 121.922 121.223 -0.252 0.000 2.046 65 L HA -0.200 4.153 4.340 0.022 0.000 0.208 65 L C 1.797 178.549 176.870 -0.197 0.000 1.077 65 L CA 1.264 55.930 54.840 -0.291 0.000 0.747 65 L CB -0.602 41.281 42.059 -0.293 0.000 0.896 65 L HN 0.260 nan 8.230 nan 0.000 0.432 66 N N -0.313 118.298 118.700 -0.148 0.000 2.244 66 N HA -0.139 4.614 4.740 0.022 0.000 0.183 66 N C 2.053 177.500 175.510 -0.104 0.000 1.016 66 N CA 1.577 54.562 53.050 -0.108 0.000 0.866 66 N CB -0.342 38.095 38.487 -0.084 0.000 0.980 66 N HN 0.359 nan 8.380 nan 0.000 0.430 67 S N 0.283 115.909 115.700 -0.123 0.000 2.481 67 S HA 0.046 4.529 4.470 0.022 0.000 0.231 67 S C 1.747 176.279 174.600 -0.114 0.000 0.996 67 S CA 0.353 58.486 58.200 -0.111 0.000 0.942 67 S CB -0.390 62.735 63.200 -0.125 0.000 0.768 67 S HN 0.233 nan 8.310 nan 0.000 0.520 68 L N 0.674 121.815 121.223 -0.136 0.000 2.558 68 L HA 0.236 4.589 4.340 0.022 0.000 0.225 68 L C 2.572 179.389 176.870 -0.088 0.000 1.128 68 L CA 0.408 55.176 54.840 -0.120 0.000 0.868 68 L CB -0.313 41.656 42.059 -0.150 0.000 1.006 68 L HN 0.256 nan 8.230 nan 0.000 0.454 69 E N 1.148 121.300 120.200 -0.080 0.000 2.160 69 E HA -0.264 4.100 4.350 0.022 0.000 0.195 69 E C 1.737 178.311 176.600 -0.043 0.000 0.991 69 E CA 1.537 57.903 56.400 -0.056 0.000 0.810 69 E CB -0.086 29.584 29.700 -0.050 0.000 0.742 69 E HN 0.554 nan 8.360 nan 0.000 0.466 70 D N -0.418 119.955 120.400 -0.045 0.000 2.265 70 D HA -0.140 4.513 4.640 0.022 0.000 0.208 70 D C 1.520 177.798 176.300 -0.036 0.000 0.977 70 D CA 1.621 55.598 54.000 -0.037 0.000 0.871 70 D CB -0.143 40.634 40.800 -0.038 0.000 0.925 70 D HN 0.300 nan 8.370 nan 0.000 0.485 71 V N -3.495 116.395 119.914 -0.040 0.000 3.605 71 V HA 0.336 4.469 4.120 0.022 0.000 0.284 71 V C 0.915 176.994 176.094 -0.026 0.000 1.386 71 V CA -0.711 61.569 62.300 -0.034 0.000 1.053 71 V CB -0.453 31.349 31.823 -0.035 0.000 0.857 71 V HN -0.156 nan 8.190 nan 0.000 0.436 72 R N 2.119 122.604 120.500 -0.025 0.000 2.537 72 R HA 0.404 4.757 4.340 0.022 0.000 0.280 72 R C -0.112 176.182 176.300 -0.010 0.000 1.058 72 R CA 0.163 56.256 56.100 -0.011 0.000 1.057 72 R CB 0.633 30.927 30.300 -0.010 0.000 0.973 72 R HN 0.378 nan 8.270 nan 0.000 0.438 73 K N 1.191 121.590 120.400 -0.002 0.000 2.345 73 K HA 0.342 4.675 4.320 0.022 0.000 0.255 73 K C -0.209 176.400 176.600 0.016 0.000 0.934 73 K CA -0.488 55.787 56.287 -0.020 0.000 0.801 73 K CB 1.883 34.358 32.500 -0.042 0.000 1.137 73 K HN 0.730 nan 8.250 nan 0.000 0.424 74 G N 0.445 109.269 108.800 0.040 0.000 2.509 74 G HA2 0.284 4.257 3.960 0.022 0.000 0.269 74 G HA3 0.284 4.257 3.960 0.022 0.000 0.269 74 G C 0.341 175.335 174.900 0.157 0.000 1.416 74 G CA 0.181 45.361 45.100 0.133 0.000 1.052 74 G HN 0.710 nan 8.290 nan 0.000 0.542 75 S N -2.591 113.270 115.700 0.269 0.000 2.961 75 S HA 0.127 4.610 4.470 0.022 0.000 0.253 75 S C 0.256 175.021 174.600 0.276 0.000 1.029 75 S CA -0.169 58.191 58.200 0.266 0.000 1.087 75 S CB 0.014 63.293 63.200 0.133 0.000 0.932 75 S HN 0.526 nan 8.310 nan 0.000 0.418 76 E N 3.198 123.490 120.200 0.152 0.000 2.529 76 E HA 0.192 4.555 4.350 0.022 0.000 0.259 76 E C -0.233 176.306 176.600 -0.101 0.000 0.966 76 E CA 0.397 56.821 56.400 0.040 0.000 0.937 76 E CB 0.007 29.721 29.700 0.023 0.000 0.923 76 E HN 0.405 nan 8.360 nan 0.000 0.468 77 N N 0.561 119.201 118.700 -0.101 0.000 2.828 77 N HA -0.220 4.533 4.740 0.022 0.000 0.248 77 N C -1.045 174.320 175.510 -0.241 0.000 1.044 77 N CA 1.181 54.121 53.050 -0.183 0.000 0.851 77 N CB -1.431 36.904 38.487 -0.253 0.000 1.136 77 N HN 0.377 nan 8.380 nan 0.000 0.572 78 Y N 0.636 120.940 120.300 0.008 0.000 2.419 78 Y HA 0.621 5.185 4.550 0.023 0.000 0.328 78 Y C 0.989 176.890 175.900 0.003 0.000 1.162 78 Y CA -0.592 57.511 58.100 0.005 0.000 1.174 78 Y CB 0.956 39.419 38.460 0.005 0.000 1.228 78 Y HN 0.131 nan 8.280 nan 0.000 0.473 79 A N 2.525 125.457 122.820 0.187 0.000 2.425 79 A HA 0.352 4.685 4.320 0.022 0.000 0.249 79 A C -0.645 176.986 177.584 0.079 0.000 1.084 79 A CA -0.493 51.604 52.037 0.099 0.000 0.781 79 A CB -0.070 18.977 19.000 0.079 0.000 1.019 79 A HN 0.700 nan 8.150 nan 0.000 0.490 80 L N 3.436 124.686 121.223 0.046 0.000 2.418 80 L HA 0.490 4.843 4.340 0.022 0.000 0.274 80 L C 0.634 177.511 176.870 0.011 0.000 1.135 80 L CA 1.154 56.007 54.840 0.023 0.000 0.870 80 L CB 0.127 42.190 42.059 0.008 0.000 1.154 80 L HN 0.895 nan 8.230 nan 0.000 0.462 81 T N 0.513 115.068 114.554 0.002 0.000 2.864 81 T HA 0.686 5.049 4.350 0.022 0.000 0.289 81 T C 0.286 174.984 174.700 -0.002 0.000 1.082 81 T CA -0.169 61.933 62.100 0.005 0.000 1.009 81 T CB 1.027 69.900 68.868 0.008 0.000 1.234 81 T HN 0.780 nan 8.240 nan 0.000 0.526 82 T N 0.118 114.684 114.554 0.020 0.000 2.689 82 T HA 0.236 4.599 4.350 0.022 0.000 0.308 82 T C 1.062 175.774 174.700 0.019 0.000 1.021 82 T CA -0.467 61.651 62.100 0.030 0.000 0.973 82 T CB -0.108 68.820 68.868 0.099 0.000 1.113 82 T HN 0.557 nan 8.240 nan 0.000 0.522 83 N N 0.378 119.093 118.700 0.025 0.000 2.396 83 N HA -0.055 4.698 4.740 0.022 0.000 0.180 83 N C 1.649 177.173 175.510 0.023 0.000 1.028 83 N CA 0.568 53.624 53.050 0.010 0.000 0.893 83 N CB -0.173 38.327 38.487 0.023 0.000 0.967 83 N HN 0.542 nan 8.380 nan 0.000 0.440 84 Q N -0.446 119.381 119.800 0.046 0.000 2.403 84 Q HA 0.176 4.530 4.340 0.022 0.000 0.203 84 Q C 0.835 176.854 176.000 0.033 0.000 0.932 84 Q CA 0.245 56.072 55.803 0.041 0.000 0.945 84 Q CB 0.350 29.121 28.738 0.055 0.000 1.045 84 Q HN 0.404 nan 8.270 nan 0.000 0.511 85 G N 0.372 109.189 108.800 0.028 0.000 2.141 85 G HA2 -0.238 3.735 3.960 0.022 0.000 0.242 85 G HA3 -0.238 3.735 3.960 0.022 0.000 0.242 85 G C 0.109 175.032 174.900 0.039 0.000 0.982 85 G CA 0.146 45.258 45.100 0.020 0.000 0.662 85 G HN 0.226 nan 8.290 nan 0.000 0.527 86 V N 1.755 121.709 119.914 0.067 0.000 2.461 86 V HA 0.365 4.498 4.120 0.022 0.000 0.275 86 V C 1.320 177.451 176.094 0.063 0.000 1.047 86 V CA -0.515 61.837 62.300 0.086 0.000 0.955 86 V CB 1.049 32.972 31.823 0.166 0.000 0.988 86 V HN 0.413 nan 8.190 nan 0.000 0.471 87 R N 4.290 124.820 120.500 0.051 0.000 2.590 87 R HA 0.382 4.736 4.340 0.022 0.000 0.274 87 R C -0.550 175.763 176.300 0.022 0.000 1.061 87 R CA -0.067 56.053 56.100 0.034 0.000 1.081 87 R CB 0.524 30.844 30.300 0.033 0.000 0.984 87 R HN 0.574 nan 8.270 nan 0.000 0.448 88 I N 1.840 122.411 120.570 0.002 0.000 2.359 88 I HA 0.160 4.343 4.170 0.022 0.000 0.294 88 I C 0.859 176.965 176.117 -0.018 0.000 0.987 88 I CA -0.051 61.235 61.300 -0.024 0.000 1.225 88 I CB 1.938 39.912 38.000 -0.045 0.000 1.366 88 I HN 0.769 nan 8.210 nan 0.000 0.466 89 A N 3.925 126.731 122.820 -0.023 0.000 1.911 89 A HA 0.027 4.360 4.320 0.022 0.000 0.212 89 A C 0.632 178.201 177.584 -0.025 0.000 1.189 89 A CA 0.920 52.947 52.037 -0.017 0.000 0.639 89 A CB 0.058 19.051 19.000 -0.011 0.000 0.839 89 A HN 0.679 nan 8.150 nan 0.000 0.449 90 D N -0.610 119.766 120.400 -0.039 0.000 2.421 90 D HA 0.346 4.999 4.640 0.022 0.000 0.254 90 D C -1.351 174.916 176.300 -0.054 0.000 1.238 90 D CA -0.363 53.612 54.000 -0.041 0.000 0.919 90 D CB 1.208 41.985 40.800 -0.038 0.000 1.152 90 D HN 0.053 nan 8.370 nan 0.000 0.552 91 D N 2.044 122.415 120.400 -0.048 0.000 2.427 91 D HA 0.065 4.719 4.640 0.022 0.000 0.224 91 D C 0.644 176.912 176.300 -0.053 0.000 1.157 91 D CA 0.232 54.199 54.000 -0.055 0.000 0.828 91 D CB 0.522 41.294 40.800 -0.047 0.000 0.974 91 D HN 0.221 nan 8.370 nan 0.000 0.498 92 Q N -0.662 119.109 119.800 -0.049 0.000 2.316 92 Q HA 0.272 4.625 4.340 0.022 0.000 0.235 92 Q C -0.081 175.890 176.000 -0.048 0.000 0.863 92 Q CA 0.296 56.072 55.803 -0.046 0.000 0.939 92 Q CB 0.752 29.468 28.738 -0.037 0.000 1.108 92 Q HN 0.219 nan 8.270 nan 0.000 0.522 93 N N 0.076 118.746 118.700 -0.050 0.000 2.284 93 N HA 0.335 5.088 4.740 0.022 0.000 0.289 93 N C -0.957 174.520 175.510 -0.055 0.000 1.179 93 N CA -0.260 52.762 53.050 -0.047 0.000 0.774 93 N CB 2.129 40.593 38.487 -0.038 0.000 1.548 93 N HN -0.172 nan 8.380 nan 0.000 0.473 94 S N 0.735 116.407 115.700 -0.048 0.000 2.617 94 S HA 0.280 4.763 4.470 0.022 0.000 0.269 94 S C 0.110 174.687 174.600 -0.039 0.000 1.292 94 S CA -0.603 57.569 58.200 -0.048 0.000 1.010 94 S CB 0.767 63.946 63.200 -0.036 0.000 0.944 94 S HN 0.397 nan 8.310 nan 0.000 0.536 95 L N 3.461 124.661 121.223 -0.038 0.000 2.313 95 L HA 0.382 4.735 4.340 0.022 0.000 0.282 95 L C 0.087 176.950 176.870 -0.011 0.000 1.092 95 L CA 0.378 55.204 54.840 -0.023 0.000 0.831 95 L CB -0.258 41.790 42.059 -0.019 0.000 1.159 95 L HN 0.706 nan 8.230 nan 0.000 0.442 96 R N 4.245 124.740 120.500 -0.008 0.000 2.867 96 R HA 0.864 5.217 4.340 0.022 0.000 0.268 96 R C -0.957 175.343 176.300 0.000 0.000 1.014 96 R CA -0.833 55.265 56.100 -0.003 0.000 0.946 96 R CB 1.104 31.400 30.300 -0.007 0.000 1.208 96 R HN 0.591 nan 8.270 nan 0.000 0.477 97 A N 1.296 124.117 122.820 0.003 0.000 2.666 97 A HA 0.564 4.898 4.320 0.022 0.000 0.312 97 A C 0.555 178.140 177.584 0.001 0.000 1.471 97 A CA 0.332 52.372 52.037 0.004 0.000 1.134 97 A CB -0.994 18.010 19.000 0.006 0.000 1.129 97 A HN 1.182 nan 8.150 nan 0.000 0.539 98 G N 1.047 109.847 108.800 0.000 0.000 2.712 98 G HA2 0.073 4.046 3.960 0.022 0.000 0.686 98 G HA3 0.073 4.046 3.960 0.022 0.000 0.686 98 G C 0.659 175.556 174.900 -0.004 0.000 1.181 98 G CA 0.141 45.240 45.100 -0.001 0.000 0.762 98 G HN 1.808 nan 8.290 nan 0.000 0.641 99 S N 0.139 115.836 115.700 -0.005 0.000 2.474 99 S HA -0.028 4.455 4.470 0.022 0.000 0.235 99 S C 1.554 176.150 174.600 -0.008 0.000 0.997 99 S CA 1.495 59.691 58.200 -0.007 0.000 0.949 99 S CB 0.035 63.230 63.200 -0.008 0.000 0.766 99 S HN 0.747 nan 8.310 nan 0.000 0.517 100 R N 0.723 121.219 120.500 -0.006 0.000 2.613 100 R HA 0.329 4.682 4.340 0.022 0.000 0.361 100 R C 0.886 177.184 176.300 -0.005 0.000 1.072 100 R CA 0.097 56.193 56.100 -0.006 0.000 1.089 100 R CB 0.828 31.125 30.300 -0.005 0.000 1.343 100 R HN 0.452 nan 8.270 nan 0.000 0.571 101 G N 1.733 110.531 108.800 -0.004 0.000 2.568 101 G HA2 0.367 4.340 3.960 0.022 0.000 0.293 101 G HA3 0.367 4.340 3.960 0.022 0.000 0.293 101 G C -2.408 172.491 174.900 -0.002 0.000 1.347 101 G CA -1.024 44.075 45.100 -0.002 0.000 1.039 101 G HN -0.101 nan 8.290 nan 0.000 0.523 102 P HA 0.225 nan 4.420 nan 0.000 0.278 102 P C -0.209 177.091 177.300 0.001 0.000 1.238 102 P CA -0.091 63.010 63.100 0.001 0.000 0.794 102 P CB 0.918 32.620 31.700 0.004 0.000 0.955 103 T N 2.956 117.510 114.554 0.001 0.000 2.901 103 T HA 0.224 4.587 4.350 0.022 0.000 0.301 103 T C 0.511 175.216 174.700 0.008 0.000 1.012 103 T CA -0.027 62.073 62.100 0.001 0.000 1.135 103 T CB -0.060 68.807 68.868 -0.003 0.000 0.936 103 T HN 0.191 nan 8.240 nan 0.000 0.539 104 L N 3.684 124.914 121.223 0.011 0.000 2.325 104 L HA 0.310 4.663 4.340 0.022 0.000 0.279 104 L C 1.404 178.292 176.870 0.030 0.000 1.054 104 L CA -0.813 54.039 54.840 0.021 0.000 0.804 104 L CB 0.902 42.975 42.059 0.024 0.000 1.200 104 L HN 0.503 nan 8.230 nan 0.000 0.436 105 L N 2.410 123.654 121.223 0.035 0.000 2.187 105 L HA -0.193 4.160 4.340 0.022 0.000 0.213 105 L C 2.310 179.220 176.870 0.067 0.000 1.100 105 L CA 1.656 56.523 54.840 0.045 0.000 0.765 105 L CB -0.596 41.486 42.059 0.039 0.000 0.904 105 L HN 0.799 nan 8.230 nan 0.000 0.437 106 E N -1.589 118.655 120.200 0.073 0.000 2.516 106 E HA -0.160 4.203 4.350 0.022 0.000 0.199 106 E C 0.173 176.873 176.600 0.167 0.000 1.069 106 E CA 0.182 56.651 56.400 0.114 0.000 0.876 106 E CB -0.449 29.310 29.700 0.098 0.000 0.843 106 E HN 0.364 nan 8.360 nan 0.000 0.530 107 D N 1.133 121.589 120.400 0.093 0.000 2.416 107 D HA -0.031 4.622 4.640 0.022 0.000 0.240 107 D C 0.437 176.760 176.300 0.038 0.000 1.250 107 D CA -0.487 53.527 54.000 0.024 0.000 0.967 107 D CB -0.046 40.737 40.800 -0.029 0.000 1.059 107 D HN 0.297 nan 8.370 nan 0.000 0.512 108 F N 2.416 122.374 119.950 0.015 0.000 2.367 108 F HA 0.117 4.654 4.527 0.015 0.000 0.298 108 F C 1.560 177.372 175.800 0.021 0.000 1.094 108 F CA 0.103 58.115 58.000 0.019 0.000 1.409 108 F CB -0.532 38.478 39.000 0.017 0.000 1.064 108 F HN 0.188 nan 8.300 nan 0.000 0.528 109 I N 0.523 120.664 120.570 -0.714 0.000 2.193 109 I HA -0.188 3.995 4.170 0.022 0.000 0.240 109 I C 2.485 178.488 176.117 -0.190 0.000 1.084 109 I CA 1.057 62.070 61.300 -0.478 0.000 1.365 109 I CB -0.563 37.102 38.000 -0.558 0.000 1.064 109 I HN 0.268 nan 8.210 nan 0.000 0.410 110 L N 1.056 122.181 121.223 -0.163 0.000 1.990 110 L HA -0.232 4.121 4.340 0.022 0.000 0.213 110 L C 2.638 179.499 176.870 -0.015 0.000 1.072 110 L CA 1.927 56.722 54.840 -0.075 0.000 0.755 110 L CB -0.529 41.495 42.059 -0.058 0.000 0.889 110 L HN 0.061 nan 8.230 nan 0.000 0.432 111 R N -0.700 119.810 120.500 0.015 0.000 2.096 111 R HA -0.169 4.184 4.340 0.022 0.000 0.235 111 R C 2.331 178.687 176.300 0.093 0.000 1.127 111 R CA 1.510 57.649 56.100 0.066 0.000 0.968 111 R CB -0.365 29.987 30.300 0.086 0.000 0.861 111 R HN 0.603 nan 8.270 nan 0.000 0.440 112 E N 1.169 121.425 120.200 0.094 0.000 2.072 112 E HA -0.220 4.143 4.350 0.022 0.000 0.191 112 E C 1.889 178.562 176.600 0.123 0.000 0.985 112 E CA 1.107 57.579 56.400 0.120 0.000 0.801 112 E CB 0.124 29.899 29.700 0.125 0.000 0.750 112 E HN 0.140 nan 8.360 nan 0.000 0.452 113 K N 0.337 120.779 120.400 0.070 0.000 2.009 113 K HA -0.162 4.171 4.320 0.022 0.000 0.210 113 K C 2.159 178.836 176.600 0.129 0.000 1.049 113 K CA 1.565 57.894 56.287 0.070 0.000 0.929 113 K CB -0.078 32.422 32.500 -0.001 0.000 0.714 113 K HN 0.139 nan 8.250 nan 0.000 0.440 114 I N 1.271 121.902 120.570 0.102 0.000 2.315 114 I HA -0.203 3.981 4.170 0.022 0.000 0.248 114 I C 2.209 178.460 176.117 0.224 0.000 1.117 114 I CA 1.416 62.803 61.300 0.145 0.000 1.404 114 I CB -1.512 36.537 38.000 0.083 0.000 1.071 114 I HN 0.265 nan 8.210 nan 0.000 0.419 115 T N -0.294 114.380 114.554 0.199 0.000 2.684 115 T HA -0.227 4.136 4.350 0.022 0.000 0.267 115 T C 1.971 176.850 174.700 0.298 0.000 1.036 115 T CA 1.472 63.724 62.100 0.252 0.000 1.148 115 T CB -0.426 68.566 68.868 0.208 0.000 0.863 115 T HN 0.352 nan 8.240 nan 0.000 0.436 116 H N -0.132 119.047 119.070 0.181 0.000 2.353 116 H HA -0.072 4.497 4.556 0.022 0.000 0.300 116 H C 2.211 177.621 175.328 0.138 0.000 1.090 116 H CA 1.583 57.719 56.048 0.147 0.000 1.327 116 H CB -0.421 29.398 29.762 0.095 0.000 1.383 116 H HN 0.390 nan 8.280 nan 0.000 0.508 117 F N 2.097 122.129 119.950 0.136 0.000 2.095 117 F HA -0.209 4.329 4.527 0.018 0.000 0.298 117 F C 2.056 177.827 175.800 -0.048 0.000 1.104 117 F CA 1.832 59.859 58.000 0.045 0.000 1.232 117 F CB -0.406 38.608 39.000 0.024 0.000 0.987 117 F HN 0.065 nan 8.300 nan 0.000 0.475 118 D N -1.022 119.335 120.400 -0.071 0.000 2.221 118 D HA -0.171 4.482 4.640 0.022 0.000 0.204 118 D C 1.443 177.390 176.300 -0.589 0.000 0.982 118 D CA 1.353 55.144 54.000 -0.348 0.000 0.857 118 D CB -0.455 40.174 40.800 -0.285 0.000 0.934 118 D HN 0.497 nan 8.370 nan 0.000 0.475 119 H N 0.018 118.969 119.070 -0.200 0.000 2.487 119 H HA 0.203 4.770 4.556 0.017 0.000 0.290 119 H C 1.060 176.225 175.328 -0.271 0.000 1.081 119 H CA -0.030 55.896 56.048 -0.204 0.000 1.116 119 H CB 0.461 30.111 29.762 -0.185 0.000 1.560 119 H HN 0.316 nan 8.280 nan 0.000 0.548 120 E N 0.720 120.757 120.200 -0.271 0.000 2.150 120 E HA -0.051 4.312 4.350 0.022 0.000 0.193 120 E C 0.588 177.032 176.600 -0.259 0.000 0.985 120 E CA 0.555 56.771 56.400 -0.307 0.000 0.814 120 E CB 0.416 29.917 29.700 -0.331 0.000 0.752 120 E HN 0.226 nan 8.360 nan 0.000 0.466 121 R N 1.192 121.595 120.500 -0.161 0.000 2.500 121 R HA 0.401 4.754 4.340 0.022 0.000 0.275 121 R C 0.504 176.841 176.300 0.061 0.000 1.051 121 R CA -0.225 55.857 56.100 -0.030 0.000 1.088 121 R CB 0.795 31.069 30.300 -0.045 0.000 1.063 121 R HN 0.141 nan 8.270 nan 0.000 0.511 122 I N -1.645 119.019 120.570 0.157 0.000 3.002 122 I HA 0.555 4.738 4.170 0.022 0.000 0.310 122 I C -2.412 173.766 176.117 0.101 0.000 1.087 122 I CA -3.023 58.363 61.300 0.144 0.000 1.017 122 I CB 2.022 40.139 38.000 0.196 0.000 1.226 122 I HN 0.240 nan 8.210 nan 0.000 0.443 123 P HA 0.106 nan 4.420 nan 0.000 0.265 123 P C -0.891 176.433 177.300 0.040 0.000 1.193 123 P CA -0.007 63.118 63.100 0.041 0.000 0.765 123 P CB 0.410 32.124 31.700 0.024 0.000 0.823 124 E N 2.825 123.049 120.200 0.040 0.000 2.392 124 E HA 0.183 4.546 4.350 0.022 0.000 0.256 124 E C -0.446 176.165 176.600 0.018 0.000 1.145 124 E CA -0.851 55.574 56.400 0.042 0.000 0.929 124 E CB 0.596 30.327 29.700 0.052 0.000 0.998 124 E HN 0.263 nan 8.360 nan 0.000 0.442 125 R N 0.772 121.282 120.500 0.017 0.000 2.570 125 R HA 0.004 4.358 4.340 0.022 0.000 0.277 125 R C 1.088 177.391 176.300 0.005 0.000 1.039 125 R CA -0.103 55.996 56.100 -0.002 0.000 1.065 125 R CB 0.191 30.497 30.300 0.011 0.000 0.964 125 R HN 0.645 nan 8.270 nan 0.000 0.428 126 I N 3.282 123.845 120.570 -0.012 0.000 2.208 126 I HA -0.208 3.976 4.170 0.022 0.000 0.245 126 I C 0.429 176.566 176.117 0.034 0.000 1.097 126 I CA 1.476 62.781 61.300 0.008 0.000 1.363 126 I CB 0.356 38.357 38.000 0.002 0.000 1.051 126 I HN 0.409 nan 8.210 nan 0.000 0.413 127 V N -2.714 117.231 119.914 0.051 0.000 3.001 127 V HA 0.838 4.971 4.120 0.022 0.000 0.314 127 V C 0.570 176.711 176.094 0.080 0.000 1.099 127 V CA -0.970 61.383 62.300 0.088 0.000 0.989 127 V CB 0.756 32.686 31.823 0.177 0.000 1.040 127 V HN 0.650 nan 8.190 nan 0.000 0.434 128 A N 0.497 123.375 122.820 0.096 0.000 2.872 128 A HA -0.097 4.236 4.320 0.022 0.000 0.273 128 A C 1.657 179.284 177.584 0.072 0.000 1.442 128 A CA 1.621 53.710 52.037 0.086 0.000 0.801 128 A CB -1.868 17.172 19.000 0.067 0.000 1.031 128 A HN 2.566 nan 8.150 nan 0.000 0.582 129 A N -0.560 122.304 122.820 0.073 0.000 1.933 129 A HA 0.120 4.453 4.320 0.022 0.000 0.218 129 A C 1.404 179.054 177.584 0.110 0.000 1.175 129 A CA 1.893 53.977 52.037 0.077 0.000 0.628 129 A CB -0.141 18.897 19.000 0.064 0.000 0.814 129 A HN 1.273 nan 8.150 nan 0.000 0.444 130 R N 0.389 120.960 120.500 0.118 0.000 2.220 130 R HA 0.480 4.834 4.340 0.022 0.000 0.340 130 R C -0.104 176.299 176.300 0.173 0.000 1.076 130 R CA 0.779 56.973 56.100 0.155 0.000 0.920 130 R CB -0.040 30.348 30.300 0.147 0.000 1.062 130 R HN 0.317 nan 8.270 nan 0.000 0.469 131 G N 0.952 109.877 108.800 0.209 0.000 2.704 131 G HA2 0.518 4.491 3.960 0.022 0.000 0.293 131 G HA3 0.518 4.491 3.960 0.022 0.000 0.293 131 G C -1.544 173.499 174.900 0.238 0.000 1.421 131 G CA -0.599 44.589 45.100 0.147 0.000 0.870 131 G HN 0.470 nan 8.290 nan 0.000 0.492 132 S N -0.808 114.987 115.700 0.158 0.000 2.557 132 S HA 0.846 5.329 4.470 0.022 0.000 0.291 132 S C -0.081 174.534 174.600 0.025 0.000 1.116 132 S CA -0.285 58.073 58.200 0.263 0.000 0.992 132 S CB 1.664 65.132 63.200 0.448 0.000 1.028 132 S HN 1.361 nan 8.310 nan 0.000 0.484 133 A N 1.911 124.710 122.820 -0.036 0.000 2.423 133 A HA 1.034 5.367 4.320 0.022 0.000 0.304 133 A C -0.756 176.649 177.584 -0.297 0.000 1.104 133 A CA -0.788 51.021 52.037 -0.380 0.000 0.757 133 A CB 1.601 20.220 19.000 -0.636 0.000 1.313 133 A HN 1.303 nan 8.150 nan 0.000 0.423 134 A N 0.592 123.067 122.820 -0.575 0.000 2.604 134 A HA 0.678 5.012 4.320 0.022 0.000 0.295 134 A C -1.139 176.273 177.584 -0.285 0.000 1.067 134 A CA -0.666 51.206 52.037 -0.275 0.000 0.683 134 A CB 0.716 19.653 19.000 -0.104 0.000 1.281 134 A HN 0.879 nan 8.150 nan 0.000 0.407 135 H N -0.112 118.997 119.070 0.066 0.000 2.505 135 H HA 0.669 5.238 4.556 0.022 0.000 0.351 135 H C 0.638 175.978 175.328 0.020 0.000 1.151 135 H CA 0.976 57.117 56.048 0.154 0.000 1.339 135 H CB 1.841 31.689 29.762 0.144 0.000 1.483 135 H HN 1.124 nan 8.280 nan 0.000 0.558 136 G N 0.840 109.749 108.800 0.181 0.000 2.578 136 G HA2 0.389 4.362 3.960 0.022 0.000 0.302 136 G HA3 0.389 4.362 3.960 0.022 0.000 0.302 136 G C -1.997 173.043 174.900 0.234 0.000 1.243 136 G CA -0.670 44.494 45.100 0.107 0.000 0.843 136 G HN 0.624 nan 8.290 nan 0.000 0.486 137 Y N -1.839 118.500 120.300 0.064 0.000 2.597 137 Y HA 0.832 5.395 4.550 0.022 0.000 0.340 137 Y C -1.861 174.174 175.900 0.225 0.000 1.097 137 Y CA -1.901 56.281 58.100 0.136 0.000 1.037 137 Y CB 1.918 40.429 38.460 0.085 0.000 1.305 137 Y HN 0.762 nan 8.280 nan 0.000 0.463 138 F N 2.131 122.204 119.950 0.206 0.000 2.563 138 F HA 0.721 5.261 4.527 0.022 0.000 0.316 138 F C -1.253 174.725 175.800 0.297 0.000 1.076 138 F CA -0.661 57.470 58.000 0.219 0.000 0.921 138 F CB 2.447 41.711 39.000 0.439 0.000 1.209 138 F HN 0.785 nan 8.300 nan 0.000 0.462 139 Q N 6.416 125.602 119.800 -1.023 0.000 2.281 139 Q HA 0.433 4.786 4.340 0.022 0.000 0.263 139 Q C -2.940 172.408 176.000 -1.088 0.000 0.989 139 Q CA -2.253 53.111 55.803 -0.732 0.000 0.852 139 Q CB 2.932 31.549 28.738 -0.201 0.000 1.337 139 Q HN 0.332 nan 8.270 nan 0.000 0.418 140 P HA 0.051 nan 4.420 nan 0.000 0.278 140 P C -0.463 176.679 177.300 -0.264 0.000 1.238 140 P CA 0.149 62.988 63.100 -0.436 0.000 0.794 140 P CB 0.547 32.160 31.700 -0.144 0.000 0.955 141 Y N 1.161 121.396 120.300 -0.107 0.000 2.263 141 Y HA -0.084 4.479 4.550 0.022 0.000 0.292 141 Y C 1.488 177.358 175.900 -0.049 0.000 1.130 141 Y CA 0.637 58.697 58.100 -0.066 0.000 1.179 141 Y CB 0.121 38.551 38.460 -0.050 0.000 0.998 141 Y HN 0.370 nan 8.280 nan 0.000 0.532 142 K N -1.242 119.211 120.400 0.088 0.000 2.548 142 K HA 0.427 4.760 4.320 0.022 0.000 0.282 142 K C -0.879 175.720 176.600 -0.001 0.000 1.006 142 K CA -0.959 55.353 56.287 0.041 0.000 0.892 142 K CB 1.544 34.070 32.500 0.044 0.000 1.499 142 K HN -0.263 nan 8.250 nan 0.000 0.433 143 S N 0.601 116.299 115.700 -0.004 0.000 2.549 143 S HA 0.143 4.626 4.470 0.022 0.000 0.286 143 S C 0.398 174.982 174.600 -0.025 0.000 1.314 143 S CA -0.572 57.616 58.200 -0.020 0.000 1.062 143 S CB -0.148 63.044 63.200 -0.012 0.000 0.865 143 S HN 0.552 nan 8.310 nan 0.000 0.498 144 L N 4.525 125.721 121.223 -0.045 0.000 2.818 144 L HA 0.166 4.519 4.340 0.022 0.000 0.243 144 L C 1.887 178.738 176.870 -0.032 0.000 1.185 144 L CA -0.152 54.669 54.840 -0.031 0.000 0.988 144 L CB -0.177 41.864 42.059 -0.030 0.000 1.292 144 L HN 0.618 nan 8.230 nan 0.000 0.519 145 S N 0.395 116.074 115.700 -0.035 0.000 2.407 145 S HA -0.210 4.273 4.470 0.022 0.000 0.235 145 S C 1.377 175.958 174.600 -0.031 0.000 1.036 145 S CA 1.594 59.773 58.200 -0.035 0.000 1.013 145 S CB -0.096 63.089 63.200 -0.025 0.000 0.820 145 S HN 0.500 nan 8.310 nan 0.000 0.476 146 D N 1.120 121.507 120.400 -0.023 0.000 2.178 146 D HA -0.042 4.611 4.640 0.022 0.000 0.202 146 D C 1.732 178.013 176.300 -0.032 0.000 0.974 146 D CA 1.011 54.998 54.000 -0.022 0.000 0.841 146 D CB -0.130 40.663 40.800 -0.013 0.000 0.953 146 D HN 0.646 nan 8.370 nan 0.000 0.478 147 I N -3.914 116.639 120.570 -0.029 0.000 4.187 147 I HA 0.219 4.402 4.170 0.022 0.000 0.326 147 I C 0.397 176.472 176.117 -0.070 0.000 1.302 147 I CA 0.038 61.312 61.300 -0.044 0.000 1.196 147 I CB 1.081 39.074 38.000 -0.012 0.000 1.095 147 I HN -0.240 nan 8.210 nan 0.000 0.411 148 T N 1.576 116.091 114.554 -0.065 0.000 2.982 148 T HA 0.323 4.686 4.350 0.022 0.000 0.321 148 T C -0.113 174.536 174.700 -0.086 0.000 1.229 148 T CA -0.691 61.354 62.100 -0.092 0.000 1.044 148 T CB 1.815 70.623 68.868 -0.101 0.000 1.184 148 T HN 0.433 nan 8.240 nan 0.000 0.477 149 K N 2.445 122.794 120.400 -0.086 0.000 2.417 149 K HA 0.602 4.935 4.320 0.022 0.000 0.196 149 K C 0.740 177.305 176.600 -0.059 0.000 1.023 149 K CA -0.346 55.903 56.287 -0.064 0.000 1.122 149 K CB 0.292 32.758 32.500 -0.056 0.000 0.850 149 K HN 0.507 nan 8.250 nan 0.000 0.521 150 A N 2.154 124.919 122.820 -0.091 0.000 2.545 150 A HA -0.066 4.267 4.320 0.022 0.000 0.253 150 A C 0.604 178.156 177.584 -0.053 0.000 1.074 150 A CA 0.114 52.111 52.037 -0.066 0.000 0.760 150 A CB -0.002 18.914 19.000 -0.140 0.000 1.005 150 A HN 0.458 nan 8.150 nan 0.000 0.506 151 D N 2.286 122.723 120.400 0.062 0.000 2.149 151 D HA -0.244 4.409 4.640 0.022 0.000 0.198 151 D C 1.357 177.730 176.300 0.122 0.000 0.990 151 D CA 2.315 56.365 54.000 0.083 0.000 0.839 151 D CB -0.252 40.618 40.800 0.116 0.000 0.948 151 D HN 0.748 nan 8.370 nan 0.000 0.460 152 F N -0.760 119.206 119.950 0.028 0.000 2.546 152 F HA 0.135 4.675 4.527 0.023 0.000 0.298 152 F C 1.155 177.038 175.800 0.138 0.000 1.120 152 F CA 0.414 58.471 58.000 0.096 0.000 1.456 152 F CB -0.213 38.838 39.000 0.085 0.000 1.088 152 F HN -0.052 nan 8.300 nan 0.000 0.572 153 L N 0.759 121.650 121.223 -0.553 0.000 2.769 153 L HA 0.177 4.530 4.340 0.022 0.000 0.240 153 L C 2.001 178.768 176.870 -0.170 0.000 1.163 153 L CA 0.378 54.969 54.840 -0.415 0.000 0.962 153 L CB -0.088 41.602 42.059 -0.615 0.000 1.258 153 L HN 0.322 nan 8.230 nan 0.000 0.513 154 S N -2.165 113.479 115.700 -0.094 0.000 2.527 154 S HA 0.010 4.493 4.470 0.022 0.000 0.222 154 S C 0.408 174.998 174.600 -0.016 0.000 0.985 154 S CA 0.023 58.196 58.200 -0.045 0.000 0.921 154 S CB 0.079 63.268 63.200 -0.018 0.000 0.772 154 S HN 0.373 nan 8.310 nan 0.000 0.529 155 D N 0.463 120.862 120.400 -0.003 0.000 2.931 155 D HA 0.323 4.976 4.640 0.022 0.000 0.215 155 D C -2.585 173.722 176.300 0.012 0.000 1.297 155 D CA -1.841 52.164 54.000 0.010 0.000 0.892 155 D CB 2.063 42.877 40.800 0.024 0.000 1.642 155 D HN -0.180 nan 8.370 nan 0.000 0.560 156 P HA -0.060 nan 4.420 nan 0.000 0.225 156 P C 0.456 177.766 177.300 0.016 0.000 1.148 156 P CA 0.685 63.788 63.100 0.006 0.000 0.779 156 P CB 0.420 32.137 31.700 0.028 0.000 0.780 157 N N -0.425 118.291 118.700 0.027 0.000 2.336 157 N HA -0.001 4.752 4.740 0.022 0.000 0.189 157 N C 0.627 176.164 175.510 0.046 0.000 1.113 157 N CA 0.253 53.323 53.050 0.032 0.000 0.858 157 N CB 0.065 38.569 38.487 0.027 0.000 0.970 157 N HN 0.258 nan 8.380 nan 0.000 0.471 158 K N 1.894 122.330 120.400 0.060 0.000 2.273 158 K HA 0.179 4.512 4.320 0.022 0.000 0.287 158 K C -0.487 176.198 176.600 0.142 0.000 1.089 158 K CA -0.285 56.061 56.287 0.099 0.000 0.909 158 K CB 0.313 32.878 32.500 0.110 0.000 1.123 158 K HN -0.147 nan 8.250 nan 0.000 0.473 159 I N 3.949 124.608 120.570 0.148 0.000 2.365 159 I HA 0.132 4.316 4.170 0.022 0.000 0.291 159 I C 0.111 176.397 176.117 0.283 0.000 1.004 159 I CA -0.298 61.124 61.300 0.204 0.000 1.311 159 I CB 1.358 39.434 38.000 0.127 0.000 1.401 159 I HN 0.562 nan 8.210 nan 0.000 0.491 160 T N 8.030 122.839 114.554 0.426 0.000 2.772 160 T HA 0.364 4.727 4.350 0.022 0.000 0.288 160 T C -2.451 172.513 174.700 0.441 0.000 0.994 160 T CA -1.341 61.038 62.100 0.464 0.000 0.951 160 T CB 1.642 70.902 68.868 0.654 0.000 0.933 160 T HN 0.295 nan 8.240 nan 0.000 0.447 161 P HA 0.247 nan 4.420 nan 0.000 0.268 161 P C -0.589 176.956 177.300 0.408 0.000 1.205 161 P CA -0.377 62.918 63.100 0.324 0.000 0.771 161 P CB 0.498 32.310 31.700 0.185 0.000 0.858 162 V N 0.292 120.391 119.914 0.309 0.000 3.040 162 V HA 0.753 4.886 4.120 0.022 0.000 0.312 162 V C -1.300 174.961 176.094 0.277 0.000 1.115 162 V CA -1.015 61.375 62.300 0.150 0.000 0.998 162 V CB 2.309 34.006 31.823 -0.210 0.000 1.042 162 V HN 0.338 nan 8.190 nan 0.000 0.433 163 F N 2.028 121.965 119.950 -0.021 0.000 2.579 163 F HA 0.818 5.358 4.527 0.022 0.000 0.325 163 F C -0.966 174.749 175.800 -0.143 0.000 1.162 163 F CA -0.620 57.317 58.000 -0.104 0.000 0.946 163 F CB 1.868 40.812 39.000 -0.093 0.000 1.211 163 F HN 0.526 nan 8.300 nan 0.000 0.447 164 V N 6.564 126.072 119.914 -0.677 0.000 2.513 164 V HA 0.600 4.733 4.120 0.022 0.000 0.299 164 V C -0.633 174.827 176.094 -1.056 0.000 1.035 164 V CA -0.808 61.005 62.300 -0.811 0.000 0.889 164 V CB 1.966 33.258 31.823 -0.885 0.000 0.988 164 V HN 0.740 nan 8.190 nan 0.000 0.440 165 R N 3.336 123.205 120.500 -1.051 0.000 2.561 165 R HA 0.645 4.998 4.340 0.022 0.000 0.297 165 R C -1.729 173.939 176.300 -1.055 0.000 0.969 165 R CA -0.429 55.144 56.100 -0.878 0.000 0.879 165 R CB 1.332 31.340 30.300 -0.487 0.000 1.178 165 R HN 0.536 nan 8.270 nan 0.000 0.445 166 F N 1.853 121.388 119.950 -0.691 0.000 2.470 166 F HA 0.583 5.123 4.527 0.022 0.000 0.329 166 F C 0.295 175.701 175.800 -0.658 0.000 1.072 166 F CA -0.267 57.172 58.000 -0.934 0.000 0.989 166 F CB 2.284 40.211 39.000 -1.788 0.000 1.193 166 F HN 0.657 nan 8.300 nan 0.000 0.481 167 S N -1.075 114.489 115.700 -0.227 0.000 2.611 167 S HA 0.627 5.111 4.470 0.022 0.000 0.268 167 S C -0.625 174.070 174.600 0.159 0.000 1.156 167 S CA -0.902 57.305 58.200 0.011 0.000 0.817 167 S CB 1.329 64.523 63.200 -0.010 0.000 1.122 167 S HN 0.722 nan 8.310 nan 0.000 0.466 168 T N -1.359 113.319 114.554 0.206 0.000 2.891 168 T HA 0.710 5.073 4.350 0.022 0.000 0.294 168 T C 0.823 175.626 174.700 0.171 0.000 1.065 168 T CA -0.053 62.175 62.100 0.213 0.000 0.936 168 T CB 0.263 69.254 68.868 0.205 0.000 1.415 168 T HN 0.662 nan 8.240 nan 0.000 0.572 169 V N -0.243 119.771 119.914 0.167 0.000 3.054 169 V HA 0.121 4.254 4.120 0.022 0.000 0.227 169 V C 2.738 178.897 176.094 0.109 0.000 1.252 169 V CA 0.243 62.643 62.300 0.167 0.000 1.279 169 V CB -0.415 31.551 31.823 0.238 0.000 1.118 169 V HN 0.844 nan 8.190 nan 0.000 0.504 170 Q N 1.308 121.152 119.800 0.073 0.000 2.020 170 Q HA 0.020 4.373 4.340 0.022 0.000 0.198 170 Q C 1.306 177.313 176.000 0.013 0.000 0.974 170 Q CA 1.550 57.362 55.803 0.015 0.000 0.829 170 Q CB -0.477 28.246 28.738 -0.026 0.000 0.894 170 Q HN 0.588 nan 8.270 nan 0.000 0.433 171 G N -0.022 108.795 108.800 0.029 0.000 2.594 171 G HA2 0.347 4.320 3.960 0.022 0.000 0.243 171 G HA3 0.347 4.320 3.960 0.022 0.000 0.243 171 G C 0.218 175.136 174.900 0.030 0.000 1.229 171 G CA 0.091 45.203 45.100 0.021 0.000 0.843 171 G HN 0.359 nan 8.290 nan 0.000 0.578 172 G N -0.744 108.065 108.800 0.015 0.000 2.683 172 G HA2 0.461 4.434 3.960 0.022 0.000 0.260 172 G HA3 0.461 4.434 3.960 0.022 0.000 0.260 172 G C 1.377 176.307 174.900 0.049 0.000 1.238 172 G CA 0.431 45.546 45.100 0.025 0.000 0.934 172 G HN 1.105 nan 8.290 nan 0.000 0.534 173 A N -0.849 122.008 122.820 0.062 0.000 2.019 173 A HA 0.130 4.463 4.320 0.022 0.000 0.219 173 A C 2.262 179.884 177.584 0.064 0.000 1.164 173 A CA 1.987 54.079 52.037 0.092 0.000 0.644 173 A CB -0.402 18.669 19.000 0.118 0.000 0.805 173 A HN 1.107 nan 8.150 nan 0.000 0.449 174 G N -0.193 108.627 108.800 0.033 0.000 3.189 174 G HA2 0.316 4.289 3.960 0.022 0.000 0.225 174 G HA3 0.316 4.289 3.960 0.022 0.000 0.225 174 G C 0.749 175.651 174.900 0.005 0.000 1.159 174 G CA 0.657 45.762 45.100 0.009 0.000 0.763 174 G HN 0.654 nan 8.290 nan 0.000 0.549 175 S N -0.156 115.555 115.700 0.019 0.000 2.641 175 S HA 0.730 5.213 4.470 0.022 0.000 0.261 175 S C 0.485 175.099 174.600 0.024 0.000 1.257 175 S CA -0.077 58.132 58.200 0.014 0.000 0.983 175 S CB 1.514 64.727 63.200 0.022 0.000 0.990 175 S HN 0.536 nan 8.310 nan 0.000 0.572 176 A N 0.031 122.861 122.820 0.017 0.000 2.286 176 A HA 0.454 4.788 4.320 0.022 0.000 0.286 176 A C 0.622 178.227 177.584 0.035 0.000 1.097 176 A CA -0.602 51.441 52.037 0.009 0.000 0.821 176 A CB -0.024 18.963 19.000 -0.021 0.000 1.076 176 A HN 0.862 nan 8.150 nan 0.000 0.490 177 D N 0.281 120.686 120.400 0.009 0.000 2.120 177 D HA -0.064 4.589 4.640 0.022 0.000 0.202 177 D C 1.629 177.894 176.300 -0.058 0.000 0.972 177 D CA 2.232 56.243 54.000 0.019 0.000 0.837 177 D CB -0.302 40.461 40.800 -0.062 0.000 0.989 177 D HN 0.679 nan 8.370 nan 0.000 0.469 178 T N -0.012 114.423 114.554 -0.197 0.000 3.393 178 T HA 0.252 4.615 4.350 0.022 0.000 0.248 178 T C 0.917 175.609 174.700 -0.013 0.000 0.992 178 T CA -0.517 61.475 62.100 -0.180 0.000 0.929 178 T CB -1.010 67.680 68.868 -0.296 0.000 1.065 178 T HN -0.078 nan 8.240 nan 0.000 0.597 179 V N -1.302 118.654 119.914 0.070 0.000 3.319 179 V HA 0.431 4.564 4.120 0.022 0.000 0.303 179 V C 0.697 176.937 176.094 0.244 0.000 1.094 179 V CA -1.436 60.955 62.300 0.152 0.000 1.106 179 V CB 0.389 32.293 31.823 0.135 0.000 1.099 179 V HN 0.530 nan 8.190 nan 0.000 0.476 180 R N 1.406 122.100 120.500 0.323 0.000 2.202 180 R HA 0.502 4.856 4.340 0.022 0.000 0.334 180 R C -0.980 175.416 176.300 0.161 0.000 1.036 180 R CA -0.083 56.172 56.100 0.258 0.000 0.878 180 R CB 0.234 30.626 30.300 0.153 0.000 1.067 180 R HN 1.068 nan 8.270 nan 0.000 0.457 181 D N 3.148 123.655 120.400 0.178 0.000 2.764 181 D HA 0.182 4.836 4.640 0.022 0.000 0.293 181 D C -0.816 175.614 176.300 0.217 0.000 1.287 181 D CA -0.597 53.504 54.000 0.167 0.000 0.768 181 D CB 1.126 42.022 40.800 0.161 0.000 1.288 181 D HN 0.223 nan 8.370 nan 0.000 0.426 182 I N 1.223 121.941 120.570 0.247 0.000 2.823 182 I HA 0.319 4.502 4.170 0.022 0.000 0.290 182 I C 0.808 177.074 176.117 0.249 0.000 1.091 182 I CA -0.200 61.248 61.300 0.247 0.000 1.365 182 I CB 0.299 38.471 38.000 0.287 0.000 1.427 182 I HN 0.263 nan 8.210 nan 0.000 0.583 183 R N 2.391 123.037 120.500 0.244 0.000 2.664 183 R HA 0.589 4.942 4.340 0.022 0.000 0.286 183 R C -0.102 176.320 176.300 0.203 0.000 0.967 183 R CA -0.773 55.473 56.100 0.243 0.000 0.933 183 R CB 1.477 31.948 30.300 0.285 0.000 1.146 183 R HN 0.803 nan 8.270 nan 0.000 0.468 184 G N 0.773 109.655 108.800 0.137 0.000 2.400 184 G HA2 0.511 4.484 3.960 0.022 0.000 0.301 184 G HA3 0.511 4.484 3.960 0.022 0.000 0.301 184 G C -1.335 173.587 174.900 0.037 0.000 1.154 184 G CA -0.093 45.050 45.100 0.073 0.000 0.852 184 G HN 0.347 nan 8.290 nan 0.000 0.511 185 F N 2.005 121.843 119.950 -0.187 0.000 2.949 185 F HA 0.636 5.176 4.527 0.022 0.000 0.376 185 F C -0.168 175.348 175.800 -0.474 0.000 1.205 185 F CA -1.759 56.044 58.000 -0.329 0.000 1.155 185 F CB 0.988 39.905 39.000 -0.138 0.000 1.495 185 F HN 0.660 nan 8.300 nan 0.000 0.551 186 A N 3.151 125.688 122.820 -0.472 0.000 2.318 186 A HA 0.787 5.121 4.320 0.022 0.000 0.324 186 A C -0.550 176.570 177.584 -0.773 0.000 1.170 186 A CA -0.430 51.162 52.037 -0.741 0.000 0.810 186 A CB 0.806 19.001 19.000 -1.341 0.000 1.198 186 A HN 0.515 nan 8.150 nan 0.000 0.484 187 T N 2.330 116.620 114.554 -0.440 0.000 2.809 187 T HA 0.379 4.742 4.350 0.022 0.000 0.284 187 T C -0.344 174.196 174.700 -0.266 0.000 0.992 187 T CA -0.459 61.406 62.100 -0.391 0.000 0.957 187 T CB 1.018 69.602 68.868 -0.475 0.000 0.942 187 T HN 0.628 nan 8.240 nan 0.000 0.439 188 K N 3.594 123.910 120.400 -0.139 0.000 2.281 188 K HA 0.424 4.758 4.320 0.022 0.000 0.272 188 K C -1.238 175.043 176.600 -0.532 0.000 1.048 188 K CA -0.575 55.531 56.287 -0.301 0.000 0.898 188 K CB 0.280 32.533 32.500 -0.412 0.000 1.128 188 K HN 0.400 nan 8.250 nan 0.000 0.460 189 F N 4.436 124.107 119.950 -0.466 0.000 2.391 189 F HA 0.228 4.768 4.527 0.022 0.000 0.359 189 F C -0.429 175.182 175.800 -0.314 0.000 1.122 189 F CA -0.550 57.242 58.000 -0.346 0.000 1.120 189 F CB 0.642 39.357 39.000 -0.475 0.000 1.142 189 F HN 0.439 nan 8.300 nan 0.000 0.483 190 Y N 1.880 122.243 120.300 0.104 0.000 2.691 190 Y HA 0.237 4.800 4.550 0.021 0.000 0.338 190 Y C 0.999 176.955 175.900 0.093 0.000 1.148 190 Y CA -0.894 57.245 58.100 0.064 0.000 1.430 190 Y CB -0.061 38.425 38.460 0.044 0.000 1.303 190 Y HN 0.544 nan 8.280 nan 0.000 0.499 191 T N -2.115 112.537 114.554 0.165 0.000 2.847 191 T HA 0.180 4.543 4.350 0.022 0.000 0.279 191 T C 0.995 175.783 174.700 0.147 0.000 0.984 191 T CA -0.664 61.534 62.100 0.163 0.000 0.988 191 T CB 1.107 70.043 68.868 0.115 0.000 1.040 191 T HN 0.661 nan 8.240 nan 0.000 0.528 192 E N -0.006 120.285 120.200 0.150 0.000 2.347 192 E HA -0.036 4.327 4.350 0.022 0.000 0.196 192 E C 1.059 177.720 176.600 0.102 0.000 1.008 192 E CA 0.746 57.218 56.400 0.120 0.000 0.852 192 E CB 0.130 29.900 29.700 0.115 0.000 0.783 192 E HN 0.731 nan 8.360 nan 0.000 0.505 193 E N 0.066 120.328 120.200 0.103 0.000 2.651 193 E HA 0.270 4.633 4.350 0.022 0.000 0.208 193 E C -0.031 176.607 176.600 0.064 0.000 0.997 193 E CA -0.276 56.175 56.400 0.086 0.000 1.020 193 E CB 1.341 31.095 29.700 0.091 0.000 1.052 193 E HN 0.171 nan 8.360 nan 0.000 0.465 194 G N 1.047 109.878 108.800 0.051 0.000 2.375 194 G HA2 -0.089 3.884 3.960 0.022 0.000 0.663 194 G HA3 -0.089 3.884 3.960 0.022 0.000 0.663 194 G C -0.952 173.939 174.900 -0.016 0.000 1.391 194 G CA -1.154 43.949 45.100 0.004 0.000 0.949 194 G HN -0.003 nan 8.290 nan 0.000 0.646 195 I N 0.749 121.268 120.570 -0.085 0.000 2.648 195 I HA 0.411 4.594 4.170 0.022 0.000 0.284 195 I C 0.285 176.373 176.117 -0.048 0.000 1.153 195 I CA -0.282 60.940 61.300 -0.130 0.000 1.426 195 I CB 0.635 38.479 38.000 -0.260 0.000 1.381 195 I HN 0.498 nan 8.210 nan 0.000 0.571 196 F N 6.519 126.343 119.950 -0.211 0.000 2.460 196 F HA 0.461 5.001 4.527 0.022 0.000 0.341 196 F C -0.664 175.094 175.800 -0.071 0.000 1.130 196 F CA -1.077 56.792 58.000 -0.219 0.000 0.962 196 F CB 0.812 39.524 39.000 -0.480 0.000 1.171 196 F HN 0.355 nan 8.300 nan 0.000 0.436 197 D N 6.263 126.442 120.400 -0.369 0.000 2.233 197 D HA 0.302 4.955 4.640 0.022 0.000 0.240 197 D C -1.118 174.705 176.300 -0.795 0.000 1.074 197 D CA -0.104 53.648 54.000 -0.413 0.000 0.838 197 D CB 2.289 43.072 40.800 -0.029 0.000 1.124 197 D HN 0.523 nan 8.370 nan 0.000 0.475 198 L N 3.708 124.489 121.223 -0.738 0.000 2.301 198 L HA 0.287 4.640 4.340 0.022 0.000 0.278 198 L C -1.107 175.599 176.870 -0.273 0.000 1.022 198 L CA -0.709 53.784 54.840 -0.579 0.000 0.854 198 L CB 1.227 42.946 42.059 -0.567 0.000 1.226 198 L HN 0.087 nan 8.230 nan 0.000 0.429 199 V N 5.957 125.765 119.914 -0.177 0.000 2.247 199 V HA 0.719 4.852 4.120 0.022 0.000 0.262 199 V C 0.846 176.910 176.094 -0.049 0.000 1.096 199 V CA -0.005 62.207 62.300 -0.147 0.000 0.895 199 V CB 0.079 31.812 31.823 -0.151 0.000 1.141 199 V HN 0.848 nan 8.190 nan 0.000 0.478 200 G N 3.189 111.962 108.800 -0.045 0.000 3.016 200 G HA2 0.652 4.625 3.960 0.022 0.000 0.270 200 G HA3 0.652 4.625 3.960 0.022 0.000 0.270 200 G C -0.869 174.071 174.900 0.067 0.000 1.352 200 G CA -0.636 44.475 45.100 0.018 0.000 1.060 200 G HN 0.476 nan 8.290 nan 0.000 0.538 201 N N -0.859 117.909 118.700 0.114 0.000 2.653 201 N HA 0.259 5.013 4.740 0.022 0.000 0.294 201 N C 0.298 175.974 175.510 0.276 0.000 1.305 201 N CA -0.770 52.384 53.050 0.173 0.000 0.827 201 N CB 1.331 39.895 38.487 0.128 0.000 1.415 201 N HN 0.535 nan 8.380 nan 0.000 0.546 202 N N -1.380 117.494 118.700 0.291 0.000 2.268 202 N HA 0.005 4.758 4.740 0.022 0.000 0.204 202 N C -0.655 175.101 175.510 0.410 0.000 1.124 202 N CA -0.129 53.149 53.050 0.380 0.000 0.838 202 N CB -0.147 38.541 38.487 0.334 0.000 0.994 202 N HN 0.532 nan 8.380 nan 0.000 0.489 203 T N -3.325 111.305 114.554 0.127 0.000 2.912 203 T HA 0.428 4.791 4.350 0.022 0.000 0.299 203 T C -2.687 171.404 174.700 -1.015 0.000 1.052 203 T CA -1.554 60.216 62.100 -0.551 0.000 0.996 203 T CB 3.058 71.524 68.868 -0.670 0.000 1.070 203 T HN -0.222 nan 8.240 nan 0.000 0.465 204 P HA 0.192 nan 4.420 nan 0.000 0.245 204 P C 0.319 177.063 177.300 -0.926 0.000 1.212 204 P CA 0.036 62.161 63.100 -1.625 0.000 0.774 204 P CB -0.126 30.478 31.700 -1.827 0.000 0.999 205 I N -4.399 115.624 120.570 -0.912 0.000 3.191 205 I HA 0.543 4.726 4.170 0.022 0.000 0.313 205 I C -1.467 174.357 176.117 -0.488 0.000 1.193 205 I CA -2.067 58.855 61.300 -0.629 0.000 0.968 205 I CB 1.475 39.099 38.000 -0.626 0.000 1.262 205 I HN -0.247 nan 8.210 nan 0.000 0.456 206 F N 0.999 120.657 119.950 -0.487 0.000 2.572 206 F HA 0.522 5.062 4.527 0.022 0.000 0.342 206 F C 0.382 175.928 175.800 -0.423 0.000 1.064 206 F CA -0.673 57.075 58.000 -0.420 0.000 1.008 206 F CB 1.809 40.679 39.000 -0.217 0.000 1.303 206 F HN 0.410 nan 8.300 nan 0.000 0.492 207 F N 1.973 121.168 119.950 -1.258 0.000 2.206 207 F HA 0.035 4.575 4.527 0.022 0.000 0.298 207 F C 0.771 176.286 175.800 -0.475 0.000 1.090 207 F CA 0.873 58.322 58.000 -0.918 0.000 1.323 207 F CB -0.126 37.956 39.000 -1.532 0.000 1.028 207 F HN 0.141 nan 8.300 nan 0.000 0.492 208 I N -2.710 117.817 120.570 -0.072 0.000 2.910 208 I HA 0.363 4.547 4.170 0.022 0.000 0.310 208 I C 0.490 176.741 176.117 0.224 0.000 1.043 208 I CA -0.801 60.575 61.300 0.127 0.000 1.053 208 I CB 1.785 39.915 38.000 0.217 0.000 1.242 208 I HN -0.072 nan 8.210 nan 0.000 0.452 209 Q N 0.499 120.431 119.800 0.219 0.000 2.226 209 Q HA 0.089 4.442 4.340 0.022 0.000 0.199 209 Q C -0.203 175.957 176.000 0.266 0.000 0.945 209 Q CA 0.739 56.710 55.803 0.280 0.000 0.861 209 Q CB 0.329 29.297 28.738 0.382 0.000 0.953 209 Q HN 0.684 nan 8.270 nan 0.000 0.490 210 D N -1.246 119.285 120.400 0.218 0.000 2.350 210 D HA 0.298 4.952 4.640 0.022 0.000 0.245 210 D C 0.000 176.418 176.300 0.197 0.000 1.036 210 D CA -0.243 53.858 54.000 0.168 0.000 0.848 210 D CB 1.795 42.664 40.800 0.115 0.000 1.307 210 D HN 0.049 nan 8.370 nan 0.000 0.469 211 A N 3.168 126.076 122.820 0.147 0.000 2.076 211 A HA -0.225 4.108 4.320 0.022 0.000 0.220 211 A C 1.777 179.473 177.584 0.185 0.000 1.160 211 A CA 1.602 53.721 52.037 0.137 0.000 0.653 211 A CB -0.796 18.227 19.000 0.038 0.000 0.801 211 A HN 0.808 nan 8.150 nan 0.000 0.455 212 H N -0.041 119.082 119.070 0.087 0.000 2.457 212 H HA 0.001 4.570 4.556 0.022 0.000 0.297 212 H C 1.515 176.912 175.328 0.115 0.000 1.092 212 H CA 1.823 57.914 56.048 0.072 0.000 1.309 212 H CB 0.076 29.859 29.762 0.035 0.000 1.382 212 H HN 0.398 nan 8.280 nan 0.000 0.535 213 K N -0.656 119.865 120.400 0.200 0.000 2.387 213 K HA -0.017 4.316 4.320 0.022 0.000 0.198 213 K C 1.227 177.959 176.600 0.220 0.000 1.022 213 K CA -0.143 56.262 56.287 0.197 0.000 1.128 213 K CB 0.125 32.793 32.500 0.279 0.000 0.853 213 K HN 0.269 nan 8.250 nan 0.000 0.523 214 F N 2.980 122.979 119.950 0.082 0.000 2.065 214 F HA -0.178 4.362 4.527 0.021 0.000 0.298 214 F C -1.004 174.798 175.800 0.004 0.000 1.112 214 F CA 1.576 59.643 58.000 0.111 0.000 1.212 214 F CB -0.469 38.577 39.000 0.077 0.000 0.975 214 F HN 0.031 nan 8.300 nan 0.000 0.476 215 P HA -0.152 nan 4.420 nan 0.000 0.215 215 P C 1.063 178.036 177.300 -0.545 0.000 1.153 215 P CA 1.876 64.723 63.100 -0.422 0.000 0.853 215 P CB -0.091 31.387 31.700 -0.370 0.000 0.788 216 D N -1.212 119.024 120.400 -0.274 0.000 2.084 216 D HA -0.177 4.476 4.640 0.022 0.000 0.194 216 D C 1.827 177.847 176.300 -0.467 0.000 0.990 216 D CA 1.129 55.019 54.000 -0.183 0.000 0.826 216 D CB -0.906 39.967 40.800 0.122 0.000 0.971 216 D HN 0.160 nan 8.370 nan 0.000 0.453 217 F N 1.739 121.285 119.950 -0.674 0.000 2.102 217 F HA -0.211 4.329 4.527 0.022 0.000 0.298 217 F C 2.255 177.654 175.800 -0.669 0.000 1.105 217 F CA 1.109 58.500 58.000 -1.014 0.000 1.239 217 F CB -0.234 38.383 39.000 -0.639 0.000 0.991 217 F HN -0.243 nan 8.300 nan 0.000 0.474 218 V N 0.442 119.911 119.914 -0.742 0.000 2.343 218 V HA -0.340 3.793 4.120 0.022 0.000 0.247 218 V C 2.296 178.159 176.094 -0.386 0.000 1.051 218 V CA 2.461 64.367 62.300 -0.656 0.000 1.036 218 V CB -1.123 30.350 31.823 -0.584 0.000 0.654 218 V HN 0.477 nan 8.190 nan 0.000 0.451 219 H N -0.169 118.677 119.070 -0.373 0.000 2.352 219 H HA -0.178 4.391 4.556 0.022 0.000 0.299 219 H C 2.350 177.535 175.328 -0.237 0.000 1.097 219 H CA 1.125 57.033 56.048 -0.233 0.000 1.311 219 H CB -0.020 29.655 29.762 -0.145 0.000 1.377 219 H HN 0.488 nan 8.280 nan 0.000 0.504 220 A N 0.418 123.081 122.820 -0.262 0.000 1.877 220 A HA -0.149 4.184 4.320 0.022 0.000 0.216 220 A C 2.541 179.985 177.584 -0.232 0.000 1.186 220 A CA 1.683 53.552 52.037 -0.281 0.000 0.620 220 A CB -0.883 17.784 19.000 -0.555 0.000 0.822 220 A HN 0.316 nan 8.150 nan 0.000 0.443 221 V N -0.162 119.489 119.914 -0.437 0.000 2.591 221 V HA -0.020 4.113 4.120 0.022 0.000 0.249 221 V C 1.006 177.094 176.094 -0.010 0.000 1.053 221 V CA 0.954 63.092 62.300 -0.271 0.000 1.068 221 V CB -0.513 30.960 31.823 -0.583 0.000 0.689 221 V HN 0.357 nan 8.190 nan 0.000 0.462 222 K N 0.862 121.211 120.400 -0.084 0.000 2.156 222 K HA 0.224 4.557 4.320 0.022 0.000 0.242 222 K C -2.283 174.282 176.600 -0.058 0.000 1.033 222 K CA -1.589 54.662 56.287 -0.060 0.000 0.878 222 K CB -0.413 32.044 32.500 -0.072 0.000 1.057 222 K HN 0.169 nan 8.250 nan 0.000 0.505 223 P HA -0.002 nan 4.420 nan 0.000 0.265 223 P C -0.634 176.613 177.300 -0.088 0.000 1.193 223 P CA 0.349 63.321 63.100 -0.215 0.000 0.765 223 P CB 0.334 31.915 31.700 -0.198 0.000 0.823 224 E N 5.382 125.575 120.200 -0.012 0.000 2.414 224 E HA -0.022 4.342 4.350 0.022 0.000 0.263 224 E C -1.193 175.495 176.600 0.147 0.000 1.000 224 E CA -1.220 55.287 56.400 0.179 0.000 0.914 224 E CB 0.135 30.078 29.700 0.405 0.000 0.948 224 E HN 0.431 nan 8.360 nan 0.000 0.444 225 P HA -0.219 nan 4.420 nan 0.000 0.220 225 P C 0.966 178.348 177.300 0.137 0.000 1.148 225 P CA 1.429 64.578 63.100 0.083 0.000 0.803 225 P CB 0.048 31.762 31.700 0.023 0.000 0.782 226 H N -0.767 118.343 119.070 0.066 0.000 2.333 226 H HA -0.079 4.490 4.556 0.022 0.000 0.302 226 H C 1.469 176.900 175.328 0.173 0.000 1.075 226 H CA 1.430 57.504 56.048 0.044 0.000 1.348 226 H CB -1.404 28.311 29.762 -0.080 0.000 1.393 226 H HN 0.322 nan 8.280 nan 0.000 0.509 227 W N -0.196 120.741 121.300 -0.606 0.000 2.714 227 W HA 0.715 5.388 4.660 0.021 0.000 0.353 227 W C 0.383 176.736 176.519 -0.277 0.000 0.999 227 W CA -1.365 55.749 57.345 -0.385 0.000 1.629 227 W CB -0.798 28.405 29.460 -0.427 0.000 1.106 227 W HN 0.443 nan 8.180 nan 0.000 0.545 228 A N 1.376 124.159 122.820 -0.063 0.000 2.610 228 A HA -0.136 4.198 4.320 0.022 0.000 0.299 228 A C -0.442 176.907 177.584 -0.392 0.000 1.487 228 A CA 1.460 53.389 52.037 -0.180 0.000 0.743 228 A CB -2.373 16.553 19.000 -0.124 0.000 1.070 228 A HN 0.483 nan 8.150 nan 0.000 0.439 229 I N 0.536 120.735 120.570 -0.617 0.000 2.686 229 I HA 0.534 4.718 4.170 0.022 0.000 0.295 229 I C -2.528 173.277 176.117 -0.520 0.000 1.114 229 I CA -2.297 58.541 61.300 -0.770 0.000 1.038 229 I CB 3.047 40.109 38.000 -1.564 0.000 1.238 229 I HN 0.218 nan 8.210 nan 0.000 0.420 230 P HA 0.339 nan 4.420 nan 0.000 0.289 230 P C -1.595 175.537 177.300 -0.281 0.000 1.293 230 P CA -0.851 62.025 63.100 -0.373 0.000 0.897 230 P CB 1.619 33.175 31.700 -0.240 0.000 1.166 231 Q N 0.588 120.274 119.800 -0.191 0.000 2.261 231 Q HA 0.500 4.853 4.340 0.022 0.000 0.252 231 Q C 1.032 176.996 176.000 -0.060 0.000 0.915 231 Q CA 0.823 56.552 55.803 -0.123 0.000 0.915 231 Q CB -0.163 28.514 28.738 -0.102 0.000 1.204 231 Q HN 0.814 nan 8.270 nan 0.000 0.421 232 G N 3.042 111.821 108.800 -0.035 0.000 2.225 232 G HA2 -0.294 3.679 3.960 0.022 0.000 0.267 232 G HA3 -0.294 3.679 3.960 0.022 0.000 0.267 232 G C -0.445 174.477 174.900 0.037 0.000 1.024 232 G CA 0.670 45.777 45.100 0.012 0.000 0.784 232 G HN 0.544 nan 8.290 nan 0.000 0.507 233 Q N -1.276 118.531 119.800 0.011 0.000 2.320 233 Q HA 0.532 4.885 4.340 0.022 0.000 0.272 233 Q C 0.614 176.636 176.000 0.036 0.000 1.023 233 Q CA -0.108 55.727 55.803 0.053 0.000 0.855 233 Q CB 1.755 30.564 28.738 0.118 0.000 1.367 233 Q HN 0.494 nan 8.270 nan 0.000 0.406 234 S N -0.614 115.009 115.700 -0.127 0.000 2.556 234 S HA 0.247 4.730 4.470 0.022 0.000 0.216 234 S C 0.794 175.323 174.600 -0.117 0.000 0.970 234 S CA -0.004 57.884 58.200 -0.519 0.000 0.912 234 S CB 0.402 62.713 63.200 -1.481 0.000 0.790 234 S HN 0.590 nan 8.310 nan 0.000 0.504 235 A N 2.313 125.261 122.820 0.213 0.000 3.037 235 A HA 0.531 4.864 4.320 0.022 0.000 0.272 235 A C 0.087 177.895 177.584 0.372 0.000 1.723 235 A CA -0.548 51.688 52.037 0.332 0.000 1.413 235 A CB -1.257 17.872 19.000 0.215 0.000 1.112 235 A HN 0.915 nan 8.150 nan 0.000 0.606 236 H N -3.396 115.851 119.070 0.295 0.000 3.042 236 H HA 0.490 5.059 4.556 0.022 0.000 0.346 236 H C -0.222 175.303 175.328 0.329 0.000 1.294 236 H CA -0.708 55.487 56.048 0.244 0.000 1.141 236 H CB 0.286 30.151 29.762 0.171 0.000 1.872 236 H HN 0.092 nan 8.280 nan 0.000 0.541 237 D N 0.367 120.940 120.400 0.289 0.000 2.126 237 D HA -0.242 4.411 4.640 0.022 0.000 0.190 237 D C 2.153 178.522 176.300 0.115 0.000 1.001 237 D CA 3.366 57.476 54.000 0.183 0.000 0.841 237 D CB -0.434 40.450 40.800 0.140 0.000 0.949 237 D HN 0.805 nan 8.370 nan 0.000 0.446 238 T N -1.612 113.007 114.554 0.108 0.000 2.803 238 T HA -0.232 4.131 4.350 0.022 0.000 0.269 238 T C 1.888 176.535 174.700 -0.088 0.000 1.052 238 T CA 0.858 62.984 62.100 0.044 0.000 1.136 238 T CB -0.720 68.221 68.868 0.123 0.000 0.864 238 T HN 0.181 nan 8.240 nan 0.000 0.467 239 F N 0.651 120.305 119.950 -0.493 0.000 2.075 239 F HA 0.090 4.630 4.527 0.022 0.000 0.297 239 F C 1.913 177.463 175.800 -0.417 0.000 1.113 239 F CA 0.827 58.461 58.000 -0.610 0.000 1.218 239 F CB -0.550 37.882 39.000 -0.947 0.000 0.984 239 F HN 0.152 nan 8.300 nan 0.000 0.472 240 W N 0.558 121.811 121.300 -0.078 0.000 2.467 240 W HA -0.092 4.581 4.660 0.022 0.000 0.275 240 W C 2.306 178.759 176.519 -0.110 0.000 1.239 240 W CA 1.004 58.299 57.345 -0.083 0.000 1.266 240 W CB -0.601 28.888 29.460 0.048 0.000 1.112 240 W HN 0.071 nan 8.180 nan 0.000 0.576 241 D N -0.569 119.883 120.400 0.086 0.000 2.084 241 D HA -0.296 4.357 4.640 0.022 0.000 0.194 241 D C 1.887 178.190 176.300 0.005 0.000 0.990 241 D CA 1.526 55.551 54.000 0.043 0.000 0.826 241 D CB -0.554 40.277 40.800 0.051 0.000 0.971 241 D HN 0.178 nan 8.370 nan 0.000 0.453 242 Y N 0.433 120.628 120.300 -0.175 0.000 2.145 242 Y HA -0.193 4.370 4.550 0.022 0.000 0.286 242 Y C 2.277 178.041 175.900 -0.227 0.000 1.145 242 Y CA 1.510 59.490 58.100 -0.199 0.000 1.148 242 Y CB -0.495 37.807 38.460 -0.262 0.000 0.981 242 Y HN -0.109 nan 8.280 nan 0.000 0.507 243 V N 0.186 119.989 119.914 -0.185 0.000 2.287 243 V HA -0.358 3.775 4.120 0.022 0.000 0.248 243 V C 2.628 178.674 176.094 -0.080 0.000 1.053 243 V CA 2.366 64.545 62.300 -0.202 0.000 1.027 243 V CB -1.259 30.344 31.823 -0.366 0.000 0.646 243 V HN 0.675 nan 8.190 nan 0.000 0.447 244 S N -0.405 115.293 115.700 -0.004 0.000 2.442 244 S HA -0.061 4.422 4.470 0.022 0.000 0.236 244 S C 1.687 176.258 174.600 -0.049 0.000 1.007 244 S CA 1.356 59.570 58.200 0.025 0.000 0.965 244 S CB -0.447 62.793 63.200 0.066 0.000 0.773 244 S HN 0.560 nan 8.310 nan 0.000 0.504 245 L N -0.031 121.114 121.223 -0.129 0.000 2.585 245 L HA 0.323 4.676 4.340 0.022 0.000 0.226 245 L C 0.431 177.133 176.870 -0.279 0.000 1.113 245 L CA 0.113 54.849 54.840 -0.173 0.000 0.876 245 L CB 0.051 42.004 42.059 -0.177 0.000 1.072 245 L HN 0.256 nan 8.230 nan 0.000 0.468 246 Q N 0.345 119.938 119.800 -0.345 0.000 3.090 246 Q HA 0.234 4.587 4.340 0.022 0.000 0.241 246 Q C -1.973 173.808 176.000 -0.364 0.000 0.958 246 Q CA -1.425 54.130 55.803 -0.413 0.000 0.715 246 Q CB 1.685 30.071 28.738 -0.587 0.000 1.298 246 Q HN -0.027 nan 8.270 nan 0.000 0.468 247 P HA -0.211 nan 4.420 nan 0.000 0.225 247 P C 0.986 177.985 177.300 -0.503 0.000 1.148 247 P CA 1.058 63.899 63.100 -0.432 0.000 0.779 247 P CB 0.307 31.721 31.700 -0.478 0.000 0.780 248 E N 0.836 120.611 120.200 -0.708 0.000 2.209 248 E HA -0.190 4.173 4.350 0.022 0.000 0.196 248 E C 1.564 178.116 176.600 -0.081 0.000 0.993 248 E CA 1.949 58.183 56.400 -0.276 0.000 0.819 248 E CB -1.352 28.248 29.700 -0.166 0.000 0.745 248 E HN 0.272 nan 8.360 nan 0.000 0.477 249 T N -0.575 113.934 114.554 -0.075 0.000 3.035 249 T HA 0.002 4.365 4.350 0.022 0.000 0.268 249 T C 1.949 176.715 174.700 0.110 0.000 1.109 249 T CA 0.533 62.655 62.100 0.036 0.000 1.119 249 T CB -0.349 68.559 68.868 0.067 0.000 0.900 249 T HN 0.161 nan 8.240 nan 0.000 0.503 250 L N -0.030 121.261 121.223 0.114 0.000 2.131 250 L HA -0.081 4.272 4.340 0.022 0.000 0.210 250 L C 2.841 179.887 176.870 0.295 0.000 1.092 250 L CA 1.772 56.753 54.840 0.236 0.000 0.759 250 L CB -0.772 41.436 42.059 0.248 0.000 0.903 250 L HN 0.484 nan 8.230 nan 0.000 0.435 251 H N 0.047 119.168 119.070 0.086 0.000 2.293 251 H HA -0.196 4.373 4.556 0.022 0.000 0.300 251 H C 2.153 177.500 175.328 0.031 0.000 1.082 251 H CA 1.746 57.847 56.048 0.089 0.000 1.308 251 H CB 0.224 30.000 29.762 0.022 0.000 1.375 251 H HN 0.353 nan 8.280 nan 0.000 0.495 252 N N -0.073 118.460 118.700 -0.277 0.000 2.309 252 N HA -0.125 4.628 4.740 0.022 0.000 0.182 252 N C 1.911 177.259 175.510 -0.269 0.000 1.018 252 N CA 0.642 53.311 53.050 -0.634 0.000 0.876 252 N CB 0.284 37.927 38.487 -1.407 0.000 0.972 252 N HN 0.126 nan 8.380 nan 0.000 0.434 253 V N 1.603 121.580 119.914 0.105 0.000 2.343 253 V HA -0.246 3.887 4.120 0.022 0.000 0.247 253 V C 2.489 178.704 176.094 0.203 0.000 1.051 253 V CA 1.232 63.728 62.300 0.326 0.000 1.036 253 V CB -0.339 31.733 31.823 0.414 0.000 0.654 253 V HN 0.394 nan 8.190 nan 0.000 0.451 254 M N -1.583 118.179 119.600 0.271 0.000 2.080 254 M HA -0.224 4.269 4.480 0.022 0.000 0.260 254 M C 2.085 178.370 176.300 -0.025 0.000 1.068 254 M CA 1.955 57.416 55.300 0.268 0.000 1.109 254 M CB -1.265 31.550 32.600 0.359 0.000 1.342 254 M HN 0.465 nan 8.290 nan 0.000 0.405 255 W N 0.503 121.524 121.300 -0.465 0.000 2.335 255 W HA -0.123 4.550 4.660 0.022 0.000 0.311 255 W C 2.837 179.282 176.519 -0.122 0.000 1.213 255 W CA 1.976 59.018 57.345 -0.505 0.000 1.274 255 W CB -1.035 28.055 29.460 -0.617 0.000 1.148 255 W HN 0.298 nan 8.180 nan 0.000 0.498 256 A N -0.691 122.210 122.820 0.135 0.000 1.898 256 A HA -0.190 4.143 4.320 0.022 0.000 0.216 256 A C 1.955 179.595 177.584 0.092 0.000 1.181 256 A CA 1.766 53.890 52.037 0.146 0.000 0.620 256 A CB -0.666 18.455 19.000 0.201 0.000 0.819 256 A HN 0.103 nan 8.150 nan 0.000 0.442 257 M N 0.874 120.478 119.600 0.006 0.000 2.296 257 M HA -0.025 4.468 4.480 0.022 0.000 0.265 257 M C 1.622 177.965 176.300 0.071 0.000 1.064 257 M CA 1.026 56.266 55.300 -0.100 0.000 1.109 257 M CB -1.533 30.715 32.600 -0.587 0.000 1.396 257 M HN 0.576 nan 8.290 nan 0.000 0.430 258 S N 0.279 116.084 115.700 0.176 0.000 2.633 258 S HA 0.050 4.533 4.470 0.022 0.000 0.257 258 S C 0.824 175.570 174.600 0.244 0.000 1.265 258 S CA -0.355 57.996 58.200 0.252 0.000 0.980 258 S CB 0.663 64.061 63.200 0.330 0.000 1.017 258 S HN 0.201 nan 8.310 nan 0.000 0.577 259 D N 0.125 120.693 120.400 0.280 0.000 2.348 259 D HA 0.033 4.686 4.640 0.022 0.000 0.216 259 D C 1.976 178.441 176.300 0.274 0.000 0.970 259 D CA 0.333 54.523 54.000 0.317 0.000 0.889 259 D CB -0.179 40.887 40.800 0.443 0.000 0.912 259 D HN 0.359 nan 8.370 nan 0.000 0.524 260 R N 0.259 120.912 120.500 0.254 0.000 2.105 260 R HA -0.075 4.278 4.340 0.022 0.000 0.239 260 R C 2.092 178.554 176.300 0.270 0.000 1.135 260 R CA 1.139 57.407 56.100 0.280 0.000 0.967 260 R CB -0.931 29.593 30.300 0.374 0.000 0.861 260 R HN 0.189 nan 8.270 nan 0.000 0.442 261 G N 1.302 110.249 108.800 0.246 0.000 2.776 261 G HA2 -0.026 3.947 3.960 0.022 0.000 0.209 261 G HA3 -0.026 3.947 3.960 0.022 0.000 0.209 261 G C 1.016 176.066 174.900 0.250 0.000 1.145 261 G CA 0.136 45.375 45.100 0.231 0.000 0.791 261 G HN 0.433 nan 8.290 nan 0.000 0.530 262 I N -2.135 118.594 120.570 0.265 0.000 2.926 262 I HA 0.354 4.537 4.170 0.022 0.000 0.295 262 I C -2.786 173.496 176.117 0.275 0.000 1.463 262 I CA -2.602 58.862 61.300 0.274 0.000 0.892 262 I CB 1.653 39.817 38.000 0.273 0.000 1.874 262 I HN -0.259 nan 8.210 nan 0.000 0.620 263 P HA 0.025 nan 4.420 nan 0.000 0.269 263 P C 0.546 177.984 177.300 0.230 0.000 1.215 263 P CA -0.095 63.119 63.100 0.189 0.000 0.780 263 P CB 1.223 32.971 31.700 0.080 0.000 0.898 264 R N 1.824 122.448 120.500 0.206 0.000 2.115 264 R HA 0.001 4.355 4.340 0.022 0.000 0.230 264 R C 0.511 176.946 176.300 0.224 0.000 1.111 264 R CA 1.525 57.795 56.100 0.285 0.000 0.976 264 R CB -0.441 30.009 30.300 0.250 0.000 0.870 264 R HN 0.601 nan 8.270 nan 0.000 0.445 265 S N -3.047 112.578 115.700 -0.125 0.000 2.578 265 S HA 0.180 4.663 4.470 0.022 0.000 0.272 265 S C -0.276 174.007 174.600 -0.527 0.000 1.145 265 S CA -0.847 57.082 58.200 -0.453 0.000 0.835 265 S CB -0.102 62.994 63.200 -0.173 0.000 1.104 265 S HN 0.082 nan 8.310 nan 0.000 0.458 266 Y N 1.906 121.846 120.300 -0.600 0.000 2.403 266 Y HA 0.070 4.633 4.550 0.022 0.000 0.291 266 Y C 2.440 177.997 175.900 -0.571 0.000 1.143 266 Y CA 1.198 58.828 58.100 -0.784 0.000 1.257 266 Y CB -0.385 37.260 38.460 -1.359 0.000 0.984 266 Y HN 0.558 nan 8.280 nan 0.000 0.550 267 R N -0.544 119.827 120.500 -0.215 0.000 2.148 267 R HA -0.045 4.309 4.340 0.022 0.000 0.223 267 R C 1.035 177.299 176.300 -0.059 0.000 1.088 267 R CA 1.538 57.562 56.100 -0.128 0.000 0.985 267 R CB -0.361 29.856 30.300 -0.137 0.000 0.880 267 R HN 0.323 nan 8.270 nan 0.000 0.451 268 T N -1.347 113.185 114.554 -0.037 0.000 3.316 268 T HA 0.389 4.753 4.350 0.022 0.000 0.253 268 T C 0.121 174.861 174.700 0.066 0.000 0.995 268 T CA -0.670 61.439 62.100 0.014 0.000 1.031 268 T CB -0.150 68.712 68.868 -0.010 0.000 1.125 268 T HN 0.069 nan 8.240 nan 0.000 0.539 269 M N -1.308 118.374 119.600 0.136 0.000 2.550 269 M HA 0.720 5.213 4.480 0.022 0.000 0.292 269 M C -1.153 175.313 176.300 0.277 0.000 1.221 269 M CA -0.896 54.518 55.300 0.190 0.000 0.873 269 M CB 2.184 34.891 32.600 0.179 0.000 1.727 269 M HN -0.130 nan 8.290 nan 0.000 0.459 270 E N 0.454 120.810 120.200 0.261 0.000 2.345 270 E HA 0.677 5.040 4.350 0.022 0.000 0.259 270 E C -0.284 176.368 176.600 0.087 0.000 1.117 270 E CA -0.455 56.031 56.400 0.143 0.000 0.913 270 E CB 1.673 31.389 29.700 0.027 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.671 109.346 108.800 -0.208 0.000 2.563 271 G HA2 0.644 4.617 3.960 0.022 0.000 0.302 271 G HA3 0.644 4.617 3.960 0.022 0.000 0.302 271 G C -1.517 172.992 174.900 -0.651 0.000 1.301 271 G CA -0.484 44.494 45.100 -0.204 0.000 0.965 271 G HN 0.304 nan 8.290 nan 0.000 0.480 272 F N -0.501 119.390 119.950 -0.098 0.000 2.628 272 F HA 0.495 5.035 4.527 0.022 0.000 0.309 272 F C 1.041 176.762 175.800 -0.131 0.000 1.108 272 F CA -0.503 57.370 58.000 -0.212 0.000 0.971 272 F CB 2.363 41.178 39.000 -0.310 0.000 1.279 272 F HN 0.628 nan 8.300 nan 0.000 0.441 273 G N 0.729 109.609 108.800 0.133 0.000 2.551 273 G HA2 0.146 4.119 3.960 0.022 0.000 0.216 273 G HA3 0.146 4.119 3.960 0.022 0.000 0.216 273 G C 1.170 176.132 174.900 0.104 0.000 1.137 273 G CA 0.932 46.170 45.100 0.229 0.000 0.798 273 G HN 0.793 nan 8.290 nan 0.000 0.536 274 I N -1.069 119.483 120.570 -0.031 0.000 4.713 274 I HA -0.331 3.852 4.170 0.022 0.000 0.044 274 I C 0.647 176.634 176.117 -0.217 0.000 0.627 274 I CA 1.531 62.686 61.300 -0.241 0.000 0.714 274 I CB -1.251 36.501 38.000 -0.413 0.000 0.668 274 I HN 0.254 nan 8.210 nan 0.000 0.156 275 H N 2.128 121.188 119.070 -0.016 0.000 2.836 275 H HA 0.192 4.761 4.556 0.022 0.000 0.368 275 H C 0.050 175.292 175.328 -0.142 0.000 1.164 275 H CA 0.765 56.717 56.048 -0.161 0.000 1.425 275 H CB 0.167 29.681 29.762 -0.414 0.000 1.414 275 H HN 0.237 nan 8.280 nan 0.000 0.614 276 T N 3.339 117.842 114.554 -0.085 0.000 2.749 276 T HA 0.303 4.666 4.350 0.022 0.000 0.295 276 T C 0.154 174.780 174.700 -0.123 0.000 0.936 276 T CA -0.154 61.887 62.100 -0.097 0.000 1.060 276 T CB -0.089 68.665 68.868 -0.190 0.000 0.904 276 T HN 0.233 nan 8.240 nan 0.000 0.500 277 F N 1.317 121.218 119.950 -0.081 0.000 2.611 277 F HA 0.651 5.191 4.527 0.022 0.000 0.374 277 F C 1.008 176.779 175.800 -0.048 0.000 1.110 277 F CA -1.359 56.628 58.000 -0.021 0.000 1.090 277 F CB 1.377 40.345 39.000 -0.053 0.000 1.388 277 F HN 0.158 nan 8.300 nan 0.000 0.501 278 R N 0.708 121.293 120.500 0.141 0.000 2.670 278 R HA 0.631 4.984 4.340 0.022 0.000 0.289 278 R C -1.606 174.597 176.300 -0.161 0.000 0.965 278 R CA -0.859 55.191 56.100 -0.083 0.000 0.899 278 R CB 1.883 32.080 30.300 -0.173 0.000 1.173 278 R HN 0.433 nan 8.270 nan 0.000 0.456 279 L N 3.769 124.846 121.223 -0.243 0.000 2.307 279 L HA 0.524 4.877 4.340 0.022 0.000 0.282 279 L C -0.358 176.362 176.870 -0.251 0.000 1.051 279 L CA -0.854 53.847 54.840 -0.232 0.000 0.804 279 L CB 1.128 43.055 42.059 -0.221 0.000 1.197 279 L HN 0.349 nan 8.230 nan 0.000 0.431 280 I N 2.674 123.118 120.570 -0.209 0.000 2.447 280 I HA 0.282 4.465 4.170 0.022 0.000 0.287 280 I C -0.285 175.744 176.117 -0.146 0.000 1.023 280 I CA -0.706 60.470 61.300 -0.207 0.000 1.083 280 I CB 1.387 39.270 38.000 -0.194 0.000 1.245 280 I HN 0.643 nan 8.210 nan 0.000 0.434 281 N N 4.903 123.527 118.700 -0.126 0.000 2.476 281 N HA 0.396 5.149 4.740 0.022 0.000 0.287 281 N C 0.836 176.302 175.510 -0.072 0.000 1.262 281 N CA -0.383 52.614 53.050 -0.089 0.000 0.980 281 N CB 0.541 38.984 38.487 -0.074 0.000 1.163 281 N HN 0.520 nan 8.380 nan 0.000 0.592 282 A N -0.653 122.134 122.820 -0.055 0.000 2.015 282 A HA -0.093 4.241 4.320 0.022 0.000 0.219 282 A C 1.411 178.972 177.584 -0.037 0.000 1.163 282 A CA 1.175 53.186 52.037 -0.044 0.000 0.646 282 A CB -0.753 18.228 19.000 -0.032 0.000 0.806 282 A HN 0.763 nan 8.150 nan 0.000 0.448 283 E N -1.152 119.026 120.200 -0.035 0.000 2.482 283 E HA 0.285 4.648 4.350 0.022 0.000 0.196 283 E C 1.235 177.822 176.600 -0.022 0.000 1.047 283 E CA 0.713 57.097 56.400 -0.027 0.000 0.869 283 E CB -0.213 29.472 29.700 -0.025 0.000 0.836 283 E HN 0.744 nan 8.360 nan 0.000 0.520 284 G N 1.034 109.816 108.800 -0.030 0.000 2.157 284 G HA2 -0.352 3.621 3.960 0.022 0.000 0.239 284 G HA3 -0.352 3.621 3.960 0.022 0.000 0.239 284 G C 0.191 175.090 174.900 -0.001 0.000 0.982 284 G CA 0.156 45.253 45.100 -0.004 0.000 0.650 284 G HN 0.265 nan 8.290 nan 0.000 0.527 285 K N 0.833 121.198 120.400 -0.059 0.000 2.276 285 K HA 0.669 5.002 4.320 0.022 0.000 0.283 285 K C 0.551 177.001 176.600 -0.249 0.000 1.044 285 K CA 0.162 56.385 56.287 -0.107 0.000 0.944 285 K CB 0.611 33.058 32.500 -0.089 0.000 1.012 285 K HN 0.549 nan 8.250 nan 0.000 0.472 286 A N 3.585 126.141 122.820 -0.439 0.000 2.274 286 A HA 0.385 4.718 4.320 0.022 0.000 0.309 286 A C -0.710 176.537 177.584 -0.562 0.000 1.226 286 A CA -0.440 51.178 52.037 -0.698 0.000 0.853 286 A CB 0.939 19.057 19.000 -1.470 0.000 1.146 286 A HN 0.724 nan 8.150 nan 0.000 0.518 287 T N 2.569 116.835 114.554 -0.480 0.000 2.841 287 T HA 0.540 4.903 4.350 0.022 0.000 0.283 287 T C -0.618 173.843 174.700 -0.398 0.000 1.000 287 T CA -0.112 61.755 62.100 -0.387 0.000 0.977 287 T CB 0.487 69.227 68.868 -0.213 0.000 0.979 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 2.077 121.934 119.950 -0.154 0.000 2.429 288 F HA 0.534 5.074 4.527 0.022 0.000 0.348 288 F C 0.533 176.215 175.800 -0.197 0.000 1.109 288 F CA -0.527 57.378 58.000 -0.159 0.000 1.232 288 F CB 0.714 39.641 39.000 -0.122 0.000 1.157 288 F HN 0.182 nan 8.300 nan 0.000 0.564 289 V N 4.846 124.726 119.914 -0.057 0.000 2.808 289 V HA 0.581 4.714 4.120 0.022 0.000 0.308 289 V C -0.984 174.880 176.094 -0.384 0.000 1.099 289 V CA -0.773 61.340 62.300 -0.312 0.000 0.920 289 V CB 2.085 33.501 31.823 -0.678 0.000 1.014 289 V HN 0.760 nan 8.190 nan 0.000 0.425 290 R N 4.858 125.191 120.500 -0.279 0.000 2.494 290 R HA 0.554 4.908 4.340 0.022 0.000 0.305 290 R C -1.590 174.633 176.300 -0.127 0.000 0.959 290 R CA -0.459 55.526 56.100 -0.193 0.000 0.864 290 R CB 1.959 32.258 30.300 -0.001 0.000 1.159 290 R HN 0.583 nan 8.270 nan 0.000 0.446 291 F N 2.264 122.261 119.950 0.078 0.000 2.394 291 F HA 0.347 4.887 4.527 0.022 0.000 0.340 291 F C 1.003 176.747 175.800 -0.092 0.000 1.105 291 F CA -0.090 57.924 58.000 0.022 0.000 1.124 291 F CB 0.811 39.737 39.000 -0.123 0.000 1.145 291 F HN 0.204 nan 8.300 nan 0.000 0.505 292 H N 1.045 120.125 119.070 0.017 0.000 2.768 292 H HA 0.271 4.841 4.556 0.022 0.000 0.371 292 H C -1.566 173.547 175.328 -0.359 0.000 1.151 292 H CA -0.977 54.976 56.048 -0.160 0.000 1.165 292 H CB 2.034 31.790 29.762 -0.011 0.000 1.722 292 H HN 0.685 nan 8.280 nan 0.000 0.543 293 W N 2.408 123.593 121.300 -0.191 0.000 2.619 293 W HA 0.299 4.973 4.660 0.022 0.000 0.327 293 W C -0.149 176.377 176.519 0.012 0.000 1.027 293 W CA -0.715 56.554 57.345 -0.127 0.000 1.233 293 W CB 1.720 30.924 29.460 -0.426 0.000 1.370 293 W HN 0.216 nan 8.180 nan 0.000 0.453 294 K N 5.717 126.374 120.400 0.428 0.000 2.213 294 K HA 0.372 4.705 4.320 0.022 0.000 0.270 294 K C -2.415 174.425 176.600 0.401 0.000 1.002 294 K CA -1.843 54.641 56.287 0.327 0.000 0.868 294 K CB 1.524 34.167 32.500 0.240 0.000 1.093 294 K HN 0.053 nan 8.250 nan 0.000 0.454 295 P HA 0.061 nan 4.420 nan 0.000 0.276 295 P C 0.513 177.842 177.300 0.048 0.000 1.264 295 P CA -0.086 63.128 63.100 0.191 0.000 0.769 295 P CB 0.663 32.485 31.700 0.203 0.000 0.840 296 L N 2.696 123.886 121.223 -0.055 0.000 2.465 296 L HA -0.071 4.282 4.340 0.022 0.000 0.224 296 L C 2.092 178.945 176.870 -0.029 0.000 1.145 296 L CA 1.098 55.929 54.840 -0.014 0.000 0.834 296 L CB -0.543 41.513 42.059 -0.005 0.000 0.944 296 L HN 0.352 nan 8.230 nan 0.000 0.451 297 A N -0.135 122.644 122.820 -0.068 0.000 2.251 297 A HA 0.434 4.768 4.320 0.022 0.000 0.209 297 A C 1.244 178.827 177.584 -0.002 0.000 1.187 297 A CA 0.598 52.610 52.037 -0.042 0.000 0.823 297 A CB -0.249 18.709 19.000 -0.070 0.000 0.846 297 A HN 0.443 nan 8.150 nan 0.000 0.486 298 G N -0.445 108.368 108.800 0.021 0.000 2.757 298 G HA2 -0.149 3.824 3.960 0.022 0.000 0.638 298 G HA3 -0.149 3.824 3.960 0.022 0.000 0.638 298 G C -0.616 174.311 174.900 0.044 0.000 1.344 298 G CA -0.406 44.723 45.100 0.048 0.000 0.855 298 G HN 0.464 nan 8.290 nan 0.000 0.537 299 K N 0.203 120.629 120.400 0.043 0.000 2.183 299 K HA 0.710 5.043 4.320 0.022 0.000 0.274 299 K C 0.160 176.736 176.600 -0.041 0.000 1.009 299 K CA 0.213 56.506 56.287 0.009 0.000 0.888 299 K CB 1.748 34.237 32.500 -0.018 0.000 1.078 299 K HN 1.456 nan 8.250 nan 0.000 0.459 300 A N 1.833 124.623 122.820 -0.050 0.000 2.540 300 A HA 0.588 4.921 4.320 0.022 0.000 0.297 300 A C -1.139 176.493 177.584 0.079 0.000 1.056 300 A CA -0.669 51.293 52.037 -0.125 0.000 0.700 300 A CB 1.685 20.425 19.000 -0.434 0.000 1.280 300 A HN 0.512 nan 8.150 nan 0.000 0.398 301 S N 0.525 116.437 115.700 0.353 0.000 2.632 301 S HA 0.770 5.253 4.470 0.022 0.000 0.289 301 S C -0.073 174.866 174.600 0.565 0.000 1.115 301 S CA -0.611 57.842 58.200 0.422 0.000 0.889 301 S CB 1.219 64.655 63.200 0.393 0.000 1.116 301 S HN 0.654 nan 8.310 nan 0.000 0.486 302 L N 1.169 122.612 121.223 0.367 0.000 2.600 302 L HA 0.604 4.957 4.340 0.022 0.000 0.221 302 L C -0.138 176.864 176.870 0.219 0.000 1.197 302 L CA -0.809 54.167 54.840 0.226 0.000 0.838 302 L CB 0.185 42.292 42.059 0.080 0.000 1.474 302 L HN 0.492 nan 8.230 nan 0.000 0.514 303 V N -3.377 116.560 119.914 0.038 0.000 2.715 303 V HA 0.185 4.318 4.120 0.022 0.000 0.310 303 V C 0.638 176.683 176.094 -0.082 0.000 1.054 303 V CA -0.869 61.433 62.300 0.004 0.000 0.928 303 V CB 1.607 33.416 31.823 -0.024 0.000 1.007 303 V HN 0.934 nan 8.190 nan 0.000 0.437 304 W N 2.499 123.677 121.300 -0.204 0.000 2.304 304 W HA -0.282 4.391 4.660 0.022 0.000 0.315 304 W C 1.724 178.091 176.519 -0.254 0.000 1.233 304 W CA 2.775 59.991 57.345 -0.216 0.000 1.261 304 W CB -0.086 29.232 29.460 -0.237 0.000 1.150 304 W HN 1.024 nan 8.180 nan 0.000 0.494 305 D N 0.090 120.199 120.400 -0.485 0.000 2.149 305 D HA -0.290 4.363 4.640 0.022 0.000 0.198 305 D C 2.165 178.099 176.300 -0.610 0.000 0.990 305 D CA 2.176 55.862 54.000 -0.522 0.000 0.839 305 D CB -0.505 40.252 40.800 -0.072 0.000 0.948 305 D HN 0.438 nan 8.370 nan 0.000 0.460 306 E N -0.233 119.453 120.200 -0.856 0.000 2.028 306 E HA -0.197 4.166 4.350 0.022 0.000 0.191 306 E C 2.054 178.301 176.600 -0.590 0.000 0.988 306 E CA 1.076 56.915 56.400 -0.935 0.000 0.799 306 E CB -0.264 28.759 29.700 -1.128 0.000 0.755 306 E HN 0.284 nan 8.360 nan 0.000 0.447 307 A N 1.328 123.829 122.820 -0.532 0.000 1.865 307 A HA -0.290 4.043 4.320 0.022 0.000 0.217 307 A C 2.238 179.488 177.584 -0.557 0.000 1.191 307 A CA 1.979 53.755 52.037 -0.435 0.000 0.623 307 A CB -0.882 17.975 19.000 -0.238 0.000 0.826 307 A HN 0.494 nan 8.150 nan 0.000 0.444 308 Q N -0.611 118.625 119.800 -0.939 0.000 2.084 308 Q HA -0.231 4.122 4.340 0.022 0.000 0.202 308 Q C 2.157 177.873 176.000 -0.475 0.000 0.978 308 Q CA 2.066 57.348 55.803 -0.869 0.000 0.844 308 Q CB -0.140 27.830 28.738 -1.280 0.000 0.898 308 Q HN 0.664 nan 8.270 nan 0.000 0.426 309 K N -0.173 119.965 120.400 -0.437 0.000 2.097 309 K HA -0.147 4.186 4.320 0.022 0.000 0.205 309 K C 1.985 178.440 176.600 -0.242 0.000 1.050 309 K CA 0.847 56.973 56.287 -0.268 0.000 0.938 309 K CB -0.100 32.276 32.500 -0.207 0.000 0.718 309 K HN 0.170 nan 8.250 nan 0.000 0.442 310 L N 1.178 122.216 121.223 -0.308 0.000 2.201 310 L HA -0.121 4.233 4.340 0.022 0.000 0.212 310 L C 2.054 178.786 176.870 -0.230 0.000 1.105 310 L CA 2.090 56.747 54.840 -0.305 0.000 0.775 310 L CB -0.856 40.939 42.059 -0.441 0.000 0.913 310 L HN 0.372 nan 8.230 nan 0.000 0.440 311 T N -4.451 109.973 114.554 -0.216 0.000 2.915 311 T HA -0.045 4.319 4.350 0.022 0.000 0.269 311 T C 1.849 176.483 174.700 -0.109 0.000 1.071 311 T CA 0.925 62.939 62.100 -0.144 0.000 1.132 311 T CB -0.914 67.882 68.868 -0.120 0.000 0.878 311 T HN 0.367 nan 8.240 nan 0.000 0.479 312 G N 1.292 110.020 108.800 -0.120 0.000 2.417 312 G HA2 -0.011 3.962 3.960 0.022 0.000 0.212 312 G HA3 -0.011 3.962 3.960 0.022 0.000 0.212 312 G C 1.891 176.744 174.900 -0.078 0.000 1.187 312 G CA -0.237 44.810 45.100 -0.088 0.000 0.804 312 G HN 0.294 nan 8.290 nan 0.000 0.534 313 R N 0.385 120.828 120.500 -0.094 0.000 2.115 313 R HA 0.018 4.371 4.340 0.022 0.000 0.230 313 R C -0.135 176.133 176.300 -0.054 0.000 1.111 313 R CA 0.920 56.976 56.100 -0.073 0.000 0.976 313 R CB -0.281 29.966 30.300 -0.087 0.000 0.870 313 R HN 0.360 nan 8.270 nan 0.000 0.445 314 D N -0.758 119.603 120.400 -0.064 0.000 2.445 314 D HA 0.128 4.781 4.640 0.022 0.000 0.236 314 D C -2.138 174.156 176.300 -0.011 0.000 1.315 314 D CA -1.660 52.333 54.000 -0.012 0.000 0.924 314 D CB 1.386 42.221 40.800 0.058 0.000 1.447 314 D HN -0.141 nan 8.370 nan 0.000 0.532 315 P HA 0.008 nan 4.420 nan 0.000 0.230 315 P C 0.061 177.360 177.300 -0.002 0.000 1.158 315 P CA 0.628 63.712 63.100 -0.027 0.000 0.769 315 P CB 0.540 32.222 31.700 -0.029 0.000 0.807 316 D N -1.427 118.984 120.400 0.017 0.000 2.424 316 D HA 0.076 4.729 4.640 0.022 0.000 0.220 316 D C 1.229 177.561 176.300 0.053 0.000 1.150 316 D CA -0.447 53.567 54.000 0.023 0.000 0.831 316 D CB -0.487 40.305 40.800 -0.014 0.000 0.981 316 D HN 0.110 nan 8.370 nan 0.000 0.500 317 F N 1.364 121.254 119.950 -0.100 0.000 2.120 317 F HA -0.259 4.281 4.527 0.022 0.000 0.300 317 F C 2.068 177.850 175.800 -0.031 0.000 1.095 317 F CA 1.906 59.847 58.000 -0.097 0.000 1.249 317 F CB 0.047 38.944 39.000 -0.172 0.000 0.995 317 F HN 0.118 nan 8.300 nan 0.000 0.480 318 H N -1.265 117.710 119.070 -0.158 0.000 2.395 318 H HA -0.080 4.489 4.556 0.022 0.000 0.299 318 H C 2.377 177.595 175.328 -0.183 0.000 1.070 318 H CA 0.856 56.678 56.048 -0.378 0.000 1.356 318 H CB -0.100 29.289 29.762 -0.621 0.000 1.401 318 H HN 0.182 nan 8.280 nan 0.000 0.524 319 R N 1.246 121.829 120.500 0.139 0.000 2.081 319 R HA -0.126 4.227 4.340 0.022 0.000 0.235 319 R C 2.438 178.835 176.300 0.162 0.000 1.131 319 R CA 1.281 57.515 56.100 0.223 0.000 0.960 319 R CB -0.020 30.389 30.300 0.182 0.000 0.856 319 R HN 0.183 nan 8.270 nan 0.000 0.436 320 R N 0.342 120.863 120.500 0.035 0.000 2.073 320 R HA -0.145 4.208 4.340 0.022 0.000 0.234 320 R C 2.183 178.486 176.300 0.006 0.000 1.134 320 R CA 1.715 57.819 56.100 0.007 0.000 0.952 320 R CB -0.237 30.031 30.300 -0.053 0.000 0.850 320 R HN 0.292 nan 8.270 nan 0.000 0.433 321 E N 0.618 120.719 120.200 -0.165 0.000 2.077 321 E HA -0.205 4.158 4.350 0.022 0.000 0.193 321 E C 2.027 178.607 176.600 -0.034 0.000 0.989 321 E CA 1.099 57.379 56.400 -0.200 0.000 0.800 321 E CB -0.066 29.355 29.700 -0.465 0.000 0.746 321 E HN 0.230 nan 8.360 nan 0.000 0.452 322 L N 0.965 122.206 121.223 0.031 0.000 1.994 322 L HA -0.173 4.181 4.340 0.022 0.000 0.208 322 L C 2.231 179.208 176.870 0.179 0.000 1.071 322 L CA 1.952 56.860 54.840 0.113 0.000 0.745 322 L CB -1.033 41.155 42.059 0.215 0.000 0.892 322 L HN 0.331 nan 8.230 nan 0.000 0.431 323 W N 0.959 122.296 121.300 0.061 0.000 2.355 323 W HA -0.204 4.469 4.660 0.022 0.000 0.309 323 W C 2.206 178.756 176.519 0.053 0.000 1.206 323 W CA 2.171 59.563 57.345 0.079 0.000 1.284 323 W CB -0.133 29.376 29.460 0.082 0.000 1.145 323 W HN 0.376 nan 8.180 nan 0.000 0.502 324 E N 0.001 120.386 120.200 0.308 0.000 2.152 324 E HA -0.115 4.248 4.350 0.022 0.000 0.192 324 E C 2.346 178.981 176.600 0.058 0.000 0.983 324 E CA 0.947 57.444 56.400 0.163 0.000 0.818 324 E CB -0.330 29.420 29.700 0.083 0.000 0.758 324 E HN 0.184 nan 8.360 nan 0.000 0.467 325 A N 1.495 124.349 122.820 0.056 0.000 1.877 325 A HA -0.178 4.155 4.320 0.022 0.000 0.216 325 A C 2.183 179.798 177.584 0.052 0.000 1.186 325 A CA 1.098 53.163 52.037 0.046 0.000 0.620 325 A CB -0.562 18.462 19.000 0.042 0.000 0.822 325 A HN 0.125 nan 8.150 nan 0.000 0.443 326 I N -0.402 120.213 120.570 0.075 0.000 2.252 326 I HA -0.237 3.946 4.170 0.022 0.000 0.245 326 I C 2.468 178.642 176.117 0.094 0.000 1.102 326 I CA 1.448 62.831 61.300 0.138 0.000 1.385 326 I CB -0.406 37.613 38.000 0.031 0.000 1.064 326 I HN 0.432 nan 8.210 nan 0.000 0.414 327 E N 0.840 121.046 120.200 0.011 0.000 2.153 327 E HA -0.186 4.177 4.350 0.022 0.000 0.194 327 E C 2.189 178.805 176.600 0.026 0.000 0.988 327 E CA 1.237 57.657 56.400 0.033 0.000 0.811 327 E CB -0.119 29.632 29.700 0.085 0.000 0.746 327 E HN 0.507 nan 8.360 nan 0.000 0.466 328 A N 0.201 123.018 122.820 -0.004 0.000 2.167 328 A HA 0.171 4.504 4.320 0.022 0.000 0.214 328 A C 1.840 179.371 177.584 -0.088 0.000 1.151 328 A CA 1.064 53.084 52.037 -0.029 0.000 0.735 328 A CB -0.159 18.824 19.000 -0.029 0.000 0.802 328 A HN 0.353 nan 8.150 nan 0.000 0.467 329 G N -0.526 108.148 108.800 -0.210 0.000 2.175 329 G HA2 -0.185 3.788 3.960 0.022 0.000 0.244 329 G HA3 -0.185 3.788 3.960 0.022 0.000 0.244 329 G C -0.300 174.138 174.900 -0.770 0.000 0.982 329 G CA 0.187 44.888 45.100 -0.665 0.000 0.641 329 G HN 0.470 nan 8.290 nan 0.000 0.527 330 D N 1.180 121.385 120.400 -0.326 0.000 2.713 330 D HA 0.290 4.943 4.640 0.022 0.000 0.229 330 D C 0.713 176.958 176.300 -0.091 0.000 1.136 330 D CA -0.157 53.730 54.000 -0.188 0.000 1.010 330 D CB -0.679 40.104 40.800 -0.028 0.000 1.084 330 D HN 0.421 nan 8.370 nan 0.000 0.495 331 F N 1.534 121.484 119.950 0.001 0.000 2.602 331 F HA 0.085 4.626 4.527 0.022 0.000 0.385 331 F C -1.421 174.343 175.800 -0.060 0.000 1.063 331 F CA -1.914 56.078 58.000 -0.014 0.000 1.233 331 F CB 0.007 39.012 39.000 0.009 0.000 1.067 331 F HN -0.069 nan 8.300 nan 0.000 0.564 332 P HA 0.064 nan 4.420 nan 0.000 0.267 332 P C -1.119 176.092 177.300 -0.149 0.000 1.209 332 P CA 0.182 63.233 63.100 -0.081 0.000 0.763 332 P CB 0.512 32.218 31.700 0.010 0.000 0.816 333 E N 2.448 122.435 120.200 -0.355 0.000 2.210 333 E HA 0.446 4.809 4.350 0.022 0.000 0.266 333 E C -1.048 175.272 176.600 -0.467 0.000 0.883 333 E CA -0.553 55.697 56.400 -0.249 0.000 0.761 333 E CB 1.345 30.998 29.700 -0.078 0.000 1.156 333 E HN 0.384 nan 8.360 nan 0.000 0.412 334 Y N 0.393 120.761 120.300 0.114 0.000 2.512 334 Y HA 0.263 4.826 4.550 0.022 0.000 0.348 334 Y C -0.226 175.903 175.900 0.382 0.000 0.990 334 Y CA -0.993 57.246 58.100 0.232 0.000 1.033 334 Y CB 1.968 40.523 38.460 0.159 0.000 1.259 334 Y HN 0.455 nan 8.280 nan 0.000 0.461 335 E N 2.685 123.226 120.200 0.568 0.000 2.109 335 E HA 0.375 4.738 4.350 0.022 0.000 0.278 335 E C -1.425 175.453 176.600 0.463 0.000 0.954 335 E CA -0.964 55.719 56.400 0.472 0.000 0.779 335 E CB 0.955 30.864 29.700 0.347 0.000 1.093 335 E HN 0.606 nan 8.360 nan 0.000 0.401 336 L N 4.350 125.775 121.223 0.336 0.000 2.453 336 L HA 0.428 4.781 4.340 0.022 0.000 0.272 336 L C -0.018 176.783 176.870 -0.114 0.000 1.182 336 L CA 0.862 55.592 54.840 -0.183 0.000 0.858 336 L CB 0.859 42.783 42.059 -0.224 0.000 1.120 336 L HN 0.589 nan 8.230 nan 0.000 0.474 337 G N 4.567 113.312 108.800 -0.091 0.000 2.667 337 G HA2 0.548 4.521 3.960 0.022 0.000 0.298 337 G HA3 0.548 4.521 3.960 0.022 0.000 0.298 337 G C -1.631 173.426 174.900 0.262 0.000 1.377 337 G CA -0.528 44.577 45.100 0.009 0.000 0.964 337 G HN 0.461 nan 8.290 nan 0.000 0.493 338 F N 0.540 120.519 119.950 0.048 0.000 2.493 338 F HA 0.367 4.907 4.527 0.022 0.000 0.329 338 F C 0.377 176.182 175.800 0.008 0.000 1.126 338 F CA -0.961 57.069 58.000 0.051 0.000 0.937 338 F CB 2.530 41.548 39.000 0.030 0.000 1.146 338 F HN 0.130 nan 8.300 nan 0.000 0.442 339 Q N 3.879 123.800 119.800 0.202 0.000 2.322 339 Q HA 0.343 4.697 4.340 0.022 0.000 0.256 339 Q C -1.161 174.880 176.000 0.068 0.000 0.960 339 Q CA -0.758 55.106 55.803 0.103 0.000 0.934 339 Q CB 1.656 30.462 28.738 0.114 0.000 1.200 339 Q HN 0.352 nan 8.270 nan 0.000 0.435 340 L N 4.389 125.660 121.223 0.081 0.000 2.322 340 L HA 0.550 4.903 4.340 0.022 0.000 0.281 340 L C -0.602 176.320 176.870 0.086 0.000 1.014 340 L CA -0.313 54.564 54.840 0.061 0.000 0.815 340 L CB 1.583 43.687 42.059 0.075 0.000 1.247 340 L HN 0.578 nan 8.230 nan 0.000 0.421 341 I N 5.391 126.026 120.570 0.109 0.000 2.478 341 I HA 0.345 4.528 4.170 0.022 0.000 0.287 341 I C -2.223 173.995 176.117 0.168 0.000 1.042 341 I CA -1.847 59.559 61.300 0.176 0.000 1.067 341 I CB 2.502 40.636 38.000 0.225 0.000 1.233 341 I HN 0.392 nan 8.210 nan 0.000 0.431 342 P HA 0.012 nan 4.420 nan 0.000 0.268 342 P C 0.537 177.876 177.300 0.065 0.000 1.208 342 P CA 0.034 63.154 63.100 0.034 0.000 0.777 342 P CB 0.812 32.533 31.700 0.036 0.000 0.875 343 E N 1.237 121.387 120.200 -0.084 0.000 2.160 343 E HA -0.250 4.113 4.350 0.022 0.000 0.195 343 E C 0.922 177.586 176.600 0.107 0.000 0.991 343 E CA 1.287 57.641 56.400 -0.078 0.000 0.810 343 E CB 0.068 29.649 29.700 -0.198 0.000 0.742 343 E HN 0.428 nan 8.360 nan 0.000 0.466 344 E N 0.620 120.869 120.200 0.081 0.000 2.338 344 E HA -0.132 4.231 4.350 0.022 0.000 0.197 344 E C 0.748 177.415 176.600 0.112 0.000 1.007 344 E CA 1.000 57.462 56.400 0.103 0.000 0.849 344 E CB 0.020 29.760 29.700 0.066 0.000 0.774 344 E HN 0.238 nan 8.360 nan 0.000 0.506 345 D N 0.221 120.690 120.400 0.115 0.000 2.325 345 D HA -0.019 4.634 4.640 0.022 0.000 0.225 345 D C 1.234 177.586 176.300 0.086 0.000 1.096 345 D CA 0.091 54.142 54.000 0.087 0.000 0.844 345 D CB 0.007 40.870 40.800 0.105 0.000 0.925 345 D HN 0.311 nan 8.370 nan 0.000 0.513 346 E N -0.049 120.162 120.200 0.019 0.000 2.097 346 E HA -0.204 4.160 4.350 0.022 0.000 0.196 346 E C 0.514 176.821 176.600 -0.489 0.000 1.000 346 E CA 1.127 57.332 56.400 -0.325 0.000 0.804 346 E CB -0.016 29.300 29.700 -0.639 0.000 0.740 346 E HN 0.277 nan 8.360 nan 0.000 0.454 347 F N -0.070 119.906 119.950 0.043 0.000 2.645 347 F HA 0.249 4.789 4.527 0.022 0.000 0.300 347 F C 1.362 177.121 175.800 -0.069 0.000 1.115 347 F CA -0.165 57.833 58.000 -0.004 0.000 1.355 347 F CB 0.496 39.497 39.000 0.001 0.000 1.026 347 F HN -0.166 nan 8.300 nan 0.000 0.536 348 K N 0.154 120.522 120.400 -0.055 0.000 2.487 348 K HA 0.100 4.433 4.320 0.022 0.000 0.192 348 K C -0.236 176.020 176.600 -0.574 0.000 1.027 348 K CA 0.395 56.495 56.287 -0.312 0.000 1.054 348 K CB 0.088 32.310 32.500 -0.463 0.000 0.824 348 K HN 0.180 nan 8.250 nan 0.000 0.510 349 F N 0.225 120.017 119.950 -0.264 0.000 2.509 349 F HA 0.151 4.692 4.527 0.022 0.000 0.334 349 F C 1.320 176.910 175.800 -0.350 0.000 1.060 349 F CA -0.995 56.737 58.000 -0.447 0.000 0.997 349 F CB 0.800 39.159 39.000 -1.070 0.000 1.271 349 F HN -0.214 nan 8.300 nan 0.000 0.488 350 D N 0.335 120.701 120.400 -0.056 0.000 2.264 350 D HA -0.047 4.606 4.640 0.022 0.000 0.208 350 D C -0.108 176.257 176.300 0.108 0.000 0.966 350 D CA 1.231 55.274 54.000 0.073 0.000 0.864 350 D CB -0.202 40.729 40.800 0.218 0.000 0.933 350 D HN 0.249 nan 8.370 nan 0.000 0.499 351 F N -0.821 119.206 119.950 0.128 0.000 2.556 351 F HA 0.461 5.001 4.527 0.022 0.000 0.327 351 F C 0.102 175.877 175.800 -0.041 0.000 1.059 351 F CA -1.649 56.343 58.000 -0.013 0.000 0.953 351 F CB 0.740 39.679 39.000 -0.101 0.000 1.227 351 F HN -0.387 nan 8.300 nan 0.000 0.478 352 D N 1.766 122.179 120.400 0.021 0.000 2.351 352 D HA 0.140 4.793 4.640 0.022 0.000 0.251 352 D C 0.965 177.208 176.300 -0.096 0.000 1.137 352 D CA 0.038 53.995 54.000 -0.071 0.000 0.879 352 D CB 1.351 42.100 40.800 -0.084 0.000 1.181 352 D HN 0.756 nan 8.370 nan 0.000 0.448 353 L N 3.455 124.562 121.223 -0.193 0.000 2.275 353 L HA -0.099 4.254 4.340 0.022 0.000 0.215 353 L C 1.989 178.715 176.870 -0.239 0.000 1.119 353 L CA 0.549 55.248 54.840 -0.234 0.000 0.790 353 L CB -0.074 41.709 42.059 -0.459 0.000 0.919 353 L HN 0.427 nan 8.230 nan 0.000 0.443 354 L N -0.952 120.153 121.223 -0.197 0.000 2.591 354 L HA 0.068 4.421 4.340 0.022 0.000 0.228 354 L C 0.381 177.172 176.870 -0.133 0.000 1.133 354 L CA -0.120 54.671 54.840 -0.083 0.000 0.880 354 L CB -0.246 41.865 42.059 0.087 0.000 1.033 354 L HN 0.091 nan 8.230 nan 0.000 0.450 355 D N 1.755 121.836 120.400 -0.532 0.000 2.347 355 D HA 0.118 4.771 4.640 0.022 0.000 0.235 355 D C -1.567 174.510 176.300 -0.372 0.000 1.149 355 D CA -2.278 51.197 54.000 -0.875 0.000 0.850 355 D CB 1.560 41.584 40.800 -1.294 0.000 1.061 355 D HN -0.075 nan 8.370 nan 0.000 0.487 356 P HA -0.032 nan 4.420 nan 0.000 0.245 356 P C 0.831 178.025 177.300 -0.177 0.000 1.212 356 P CA 0.555 63.573 63.100 -0.137 0.000 0.774 356 P CB -0.003 31.694 31.700 -0.005 0.000 0.999 357 T N -4.348 110.095 114.554 -0.184 0.000 3.107 357 T HA 0.137 4.500 4.350 0.022 0.000 0.249 357 T C 0.763 175.343 174.700 -0.199 0.000 1.096 357 T CA 0.005 62.007 62.100 -0.164 0.000 1.012 357 T CB -0.196 68.624 68.868 -0.079 0.000 0.977 357 T HN -0.125 nan 8.240 nan 0.000 0.527 358 K N 2.143 122.325 120.400 -0.363 0.000 2.221 358 K HA 0.570 4.904 4.320 0.022 0.000 0.258 358 K C -0.341 176.008 176.600 -0.418 0.000 0.944 358 K CA -0.877 55.035 56.287 -0.624 0.000 0.823 358 K CB 2.117 34.112 32.500 -0.842 0.000 1.113 358 K HN 0.295 nan 8.250 nan 0.000 0.431 359 L N -0.330 120.795 121.223 -0.163 0.000 2.387 359 L HA 0.643 4.996 4.340 0.022 0.000 0.266 359 L C -0.022 176.659 176.870 -0.316 0.000 1.059 359 L CA -0.471 54.262 54.840 -0.180 0.000 0.801 359 L CB 0.348 42.379 42.059 -0.046 0.000 1.223 359 L HN 0.448 nan 8.230 nan 0.000 0.456 360 I N 1.785 122.270 120.570 -0.143 0.000 2.306 360 I HA 0.343 4.527 4.170 0.022 0.000 0.288 360 I C -2.084 174.069 176.117 0.060 0.000 1.036 360 I CA -1.686 59.596 61.300 -0.031 0.000 1.221 360 I CB 0.991 38.985 38.000 -0.009 0.000 1.385 360 I HN 0.453 nan 8.210 nan 0.000 0.472 361 P HA -0.011 nan 4.420 nan 0.000 0.261 361 P C 0.351 177.730 177.300 0.131 0.000 1.183 361 P CA 0.220 63.386 63.100 0.109 0.000 0.761 361 P CB 0.526 32.290 31.700 0.107 0.000 0.785 362 E N 2.079 122.358 120.200 0.132 0.000 2.265 362 E HA -0.194 4.169 4.350 0.022 0.000 0.196 362 E C 1.357 178.015 176.600 0.096 0.000 0.996 362 E CA 0.757 57.219 56.400 0.104 0.000 0.832 362 E CB -0.013 29.746 29.700 0.098 0.000 0.756 362 E HN 0.522 nan 8.360 nan 0.000 0.491 363 E N 0.382 120.641 120.200 0.099 0.000 2.204 363 E HA -0.145 4.218 4.350 0.022 0.000 0.195 363 E C 2.048 178.715 176.600 0.113 0.000 0.990 363 E CA 0.773 57.227 56.400 0.091 0.000 0.821 363 E CB 0.078 29.826 29.700 0.079 0.000 0.750 363 E HN 0.384 nan 8.360 nan 0.000 0.477 364 L N -0.499 120.817 121.223 0.155 0.000 2.221 364 L HA 0.067 4.420 4.340 0.022 0.000 0.202 364 L C 0.740 177.734 176.870 0.206 0.000 1.074 364 L CA 0.422 55.391 54.840 0.214 0.000 0.795 364 L CB 0.365 42.638 42.059 0.355 0.000 0.960 364 L HN -0.211 nan 8.230 nan 0.000 0.458 365 V N 1.752 121.769 119.914 0.172 0.000 2.385 365 V HA 0.303 4.436 4.120 0.022 0.000 0.277 365 V C -2.316 173.827 176.094 0.083 0.000 1.012 365 V CA -1.472 60.911 62.300 0.138 0.000 0.832 365 V CB 1.265 33.169 31.823 0.135 0.000 1.028 365 V HN -0.023 nan 8.190 nan 0.000 0.436 366 P HA 0.115 nan 4.420 nan 0.000 0.270 366 P C -0.247 177.054 177.300 0.001 0.000 1.223 366 P CA 0.114 63.235 63.100 0.035 0.000 0.785 366 P CB 1.104 32.829 31.700 0.041 0.000 0.923 367 V N 3.231 123.114 119.914 -0.052 0.000 2.432 367 V HA 0.088 4.221 4.120 0.022 0.000 0.271 367 V C 0.802 176.892 176.094 -0.006 0.000 1.046 367 V CA -0.057 62.185 62.300 -0.097 0.000 0.945 367 V CB 0.226 31.905 31.823 -0.239 0.000 0.992 367 V HN 0.460 nan 8.190 nan 0.000 0.471 368 Q N 4.953 124.773 119.800 0.034 0.000 2.256 368 Q HA 0.457 4.810 4.340 0.022 0.000 0.254 368 Q C -0.426 175.584 176.000 0.017 0.000 0.916 368 Q CA -0.619 55.207 55.803 0.038 0.000 0.932 368 Q CB 1.680 30.454 28.738 0.061 0.000 1.207 368 Q HN 0.598 nan 8.270 nan 0.000 0.426 369 R N 1.303 121.833 120.500 0.049 0.000 2.401 369 R HA 0.089 4.442 4.340 0.022 0.000 0.299 369 R C 0.409 176.769 176.300 0.099 0.000 1.064 369 R CA -0.105 56.066 56.100 0.119 0.000 1.000 369 R CB 0.576 30.990 30.300 0.191 0.000 0.973 369 R HN 0.446 nan 8.270 nan 0.000 0.438 370 V N 1.372 121.251 119.914 -0.058 0.000 3.013 370 V HA 0.318 4.451 4.120 0.022 0.000 0.238 370 V C 0.820 176.667 176.094 -0.412 0.000 1.161 370 V CA 1.075 63.212 62.300 -0.271 0.000 1.170 370 V CB 0.931 32.330 31.823 -0.706 0.000 0.917 370 V HN 0.994 nan 8.190 nan 0.000 0.478 371 G N -0.400 108.075 108.800 -0.541 0.000 2.495 371 G HA2 0.520 4.493 3.960 0.022 0.000 0.294 371 G HA3 0.520 4.493 3.960 0.022 0.000 0.294 371 G C -1.840 172.758 174.900 -0.503 0.000 1.397 371 G CA -0.549 43.978 45.100 -0.954 0.000 0.790 371 G HN 0.046 nan 8.290 nan 0.000 0.486 372 K N -0.291 119.826 120.400 -0.471 0.000 2.324 372 K HA 0.718 5.052 4.320 0.022 0.000 0.253 372 K C -0.891 175.762 176.600 0.088 0.000 0.932 372 K CA -0.759 55.525 56.287 -0.006 0.000 0.799 372 K CB 1.967 34.503 32.500 0.061 0.000 1.154 372 K HN 0.539 nan 8.250 nan 0.000 0.425 373 M N 5.012 124.775 119.600 0.272 0.000 2.243 373 M HA 0.367 4.860 4.480 0.022 0.000 0.324 373 M C -1.725 174.552 176.300 -0.039 0.000 1.031 373 M CA -0.800 54.603 55.300 0.170 0.000 0.949 373 M CB 1.555 34.287 32.600 0.221 0.000 1.615 373 M HN 0.337 nan 8.290 nan 0.000 0.430 374 V N 5.844 125.565 119.914 -0.323 0.000 2.409 374 V HA 0.434 4.567 4.120 0.022 0.000 0.291 374 V C -0.792 175.171 176.094 -0.218 0.000 1.020 374 V CA -0.839 61.294 62.300 -0.279 0.000 0.848 374 V CB 1.549 33.118 31.823 -0.423 0.000 0.990 374 V HN 0.664 nan 8.190 nan 0.000 0.430 375 L N 5.970 127.151 121.223 -0.069 0.000 2.259 375 L HA 0.479 4.832 4.340 0.022 0.000 0.288 375 L C 0.739 177.527 176.870 -0.137 0.000 1.051 375 L CA 0.202 55.011 54.840 -0.053 0.000 0.824 375 L CB 0.906 42.990 42.059 0.043 0.000 1.206 375 L HN 0.874 nan 8.230 nan 0.000 0.429 376 N N 2.467 120.995 118.700 -0.287 0.000 2.194 376 N HA 0.158 4.911 4.740 0.022 0.000 0.231 376 N C 0.027 175.353 175.510 -0.307 0.000 1.247 376 N CA -0.263 52.363 53.050 -0.706 0.000 0.884 376 N CB 0.727 38.422 38.487 -1.320 0.000 1.146 376 N HN 0.396 nan 8.380 nan 0.000 0.516 377 R N 0.147 120.577 120.500 -0.116 0.000 2.561 377 R HA 0.310 4.663 4.340 0.022 0.000 0.266 377 R C -1.323 174.939 176.300 -0.062 0.000 1.091 377 R CA -0.573 55.479 56.100 -0.081 0.000 0.927 377 R CB 1.316 31.576 30.300 -0.068 0.000 1.240 377 R HN 0.057 nan 8.270 nan 0.000 0.449 378 N N 2.767 121.311 118.700 -0.261 0.000 2.483 378 N HA 0.296 5.049 4.740 0.022 0.000 0.269 378 N C -2.339 173.128 175.510 -0.071 0.000 1.209 378 N CA -1.393 51.369 53.050 -0.480 0.000 0.969 378 N CB 0.699 38.229 38.487 -1.595 0.000 1.173 378 N HN 0.267 nan 8.380 nan 0.000 0.475 379 P HA 0.066 nan 4.420 nan 0.000 0.272 379 P C 0.310 177.798 177.300 0.313 0.000 1.254 379 P CA -0.050 63.257 63.100 0.345 0.000 0.795 379 P CB 0.839 32.785 31.700 0.409 0.000 1.022 380 D N -1.250 119.307 120.400 0.262 0.000 2.269 380 D HA -0.010 4.643 4.640 0.022 0.000 0.220 380 D C 0.324 176.795 176.300 0.284 0.000 0.962 380 D CA 1.290 55.434 54.000 0.239 0.000 0.884 380 D CB 0.090 40.972 40.800 0.138 0.000 1.023 380 D HN 0.348 nan 8.370 nan 0.000 0.484 381 N N -0.067 118.791 118.700 0.263 0.000 2.448 381 N HA 0.024 4.777 4.740 0.022 0.000 0.279 381 N C 0.083 175.790 175.510 0.329 0.000 1.025 381 N CA -0.309 52.908 53.050 0.278 0.000 0.898 381 N CB 1.535 40.151 38.487 0.216 0.000 1.303 381 N HN -0.162 nan 8.380 nan 0.000 0.495 382 F N 4.333 124.427 119.950 0.240 0.000 2.095 382 F HA -0.194 4.345 4.527 0.021 0.000 0.298 382 F C 1.682 177.606 175.800 0.207 0.000 1.104 382 F CA 1.592 59.733 58.000 0.235 0.000 1.232 382 F CB -0.141 38.971 39.000 0.185 0.000 0.987 382 F HN 0.608 nan 8.300 nan 0.000 0.475 383 F N 0.742 120.900 119.950 0.347 0.000 2.046 383 F HA -0.184 4.356 4.527 0.023 0.000 0.297 383 F C 2.392 178.236 175.800 0.074 0.000 1.123 383 F CA 1.982 60.108 58.000 0.208 0.000 1.199 383 F CB -0.993 38.116 39.000 0.182 0.000 0.972 383 F HN 0.000 nan 8.300 nan 0.000 0.474 384 A N -0.343 122.619 122.820 0.237 0.000 1.908 384 A HA -0.206 4.127 4.320 0.022 0.000 0.218 384 A C 2.061 179.582 177.584 -0.106 0.000 1.181 384 A CA 2.164 54.243 52.037 0.070 0.000 0.627 384 A CB -0.754 18.331 19.000 0.142 0.000 0.818 384 A HN 0.622 nan 8.150 nan 0.000 0.445 385 E N -1.386 118.761 120.200 -0.088 0.000 2.132 385 E HA -0.067 4.296 4.350 0.022 0.000 0.193 385 E C 2.029 178.534 176.600 -0.158 0.000 0.951 385 E CA 0.484 56.766 56.400 -0.197 0.000 0.843 385 E CB -0.159 29.461 29.700 -0.132 0.000 0.807 385 E HN 0.577 nan 8.360 nan 0.000 0.467 386 N N 1.388 119.995 118.700 -0.155 0.000 2.124 386 N HA -0.171 4.582 4.740 0.022 0.000 0.188 386 N C 1.848 177.169 175.510 -0.315 0.000 1.045 386 N CA 1.420 54.313 53.050 -0.263 0.000 0.846 386 N CB -0.031 37.891 38.487 -0.942 0.000 1.020 386 N HN -0.073 nan 8.380 nan 0.000 0.432 387 E N 0.780 120.722 120.200 -0.429 0.000 2.097 387 E HA -0.151 4.212 4.350 0.022 0.000 0.196 387 E C 1.610 177.995 176.600 -0.358 0.000 1.000 387 E CA 1.607 57.806 56.400 -0.336 0.000 0.804 387 E CB -0.192 29.285 29.700 -0.373 0.000 0.740 387 E HN 0.531 nan 8.360 nan 0.000 0.454 388 Q N -0.376 119.166 119.800 -0.430 0.000 2.403 388 Q HA 0.256 4.609 4.340 0.022 0.000 0.203 388 Q C -0.119 175.765 176.000 -0.194 0.000 0.932 388 Q CA 0.173 55.790 55.803 -0.310 0.000 0.945 388 Q CB 0.537 29.089 28.738 -0.311 0.000 1.045 388 Q HN 0.205 nan 8.270 nan 0.000 0.511 389 A N 1.254 123.972 122.820 -0.169 0.000 2.477 389 A HA 0.476 4.809 4.320 0.022 0.000 0.246 389 A C -0.123 177.331 177.584 -0.216 0.000 1.078 389 A CA 0.074 51.990 52.037 -0.203 0.000 0.770 389 A CB 0.255 19.212 19.000 -0.070 0.000 1.011 389 A HN 0.279 nan 8.150 nan 0.000 0.494 390 A N 2.843 125.495 122.820 -0.281 0.000 2.310 390 A HA 0.701 5.035 4.320 0.022 0.000 0.304 390 A C -0.631 176.837 177.584 -0.192 0.000 1.231 390 A CA -0.456 51.485 52.037 -0.161 0.000 0.799 390 A CB 0.234 19.154 19.000 -0.134 0.000 1.162 390 A HN 0.645 nan 8.150 nan 0.000 0.486 391 F N 1.410 121.358 119.950 -0.002 0.000 2.403 391 F HA 0.664 5.204 4.527 0.022 0.000 0.326 391 F C 0.603 176.341 175.800 -0.103 0.000 1.081 391 F CA -0.144 57.836 58.000 -0.034 0.000 1.041 391 F CB 1.457 40.400 39.000 -0.095 0.000 1.234 391 F HN 0.640 nan 8.300 nan 0.000 0.503 392 H N 2.535 121.470 119.070 -0.225 0.000 3.128 392 H HA 0.223 4.792 4.556 0.022 0.000 0.336 392 H C -2.417 172.591 175.328 -0.533 0.000 1.026 392 H CA -2.487 53.151 56.048 -0.683 0.000 1.376 392 H CB 2.529 31.633 29.762 -1.097 0.000 1.882 392 H HN 0.183 nan 8.280 nan 0.000 0.479 393 P HA -0.020 nan 4.420 nan 0.000 0.226 393 P C 1.138 178.512 177.300 0.123 0.000 1.153 393 P CA 1.217 64.297 63.100 -0.033 0.000 0.777 393 P CB 0.136 31.820 31.700 -0.027 0.000 0.794 394 G N -1.384 107.315 108.800 -0.169 0.000 2.813 394 G HA2 -0.114 3.860 3.960 0.022 0.000 0.209 394 G HA3 -0.114 3.860 3.960 0.022 0.000 0.209 394 G C 0.419 175.279 174.900 -0.067 0.000 1.150 394 G CA -0.074 44.934 45.100 -0.154 0.000 0.785 394 G HN 0.416 nan 8.290 nan 0.000 0.535 395 H N 0.841 119.790 119.070 -0.201 0.000 3.092 395 H HA 0.322 4.891 4.556 0.022 0.000 0.263 395 H C 0.461 175.823 175.328 0.056 0.000 1.611 395 H CA -0.689 55.295 56.048 -0.106 0.000 1.457 395 H CB -0.071 29.639 29.762 -0.086 0.000 1.731 395 H HN 0.364 nan 8.280 nan 0.000 0.532 396 I N -0.304 120.325 120.570 0.098 0.000 3.133 396 I HA 0.674 4.857 4.170 0.022 0.000 0.311 396 I C -0.199 175.871 176.117 -0.079 0.000 1.072 396 I CA -1.396 59.911 61.300 0.012 0.000 1.015 396 I CB 1.971 39.865 38.000 -0.176 0.000 1.233 396 I HN 0.079 nan 8.210 nan 0.000 0.473 397 V N -1.592 118.268 119.914 -0.090 0.000 3.074 397 V HA 0.670 4.803 4.120 0.022 0.000 0.314 397 V C -2.813 173.359 176.094 0.131 0.000 1.117 397 V CA -2.631 59.679 62.300 0.017 0.000 1.014 397 V CB 1.029 32.849 31.823 -0.005 0.000 1.057 397 V HN 0.641 nan 8.190 nan 0.000 0.438 398 P HA 0.318 nan 4.420 nan 0.000 0.260 398 P C 0.910 178.209 177.300 -0.002 0.000 1.172 398 P CA 1.991 65.164 63.100 0.122 0.000 0.760 398 P CB 0.437 32.188 31.700 0.085 0.000 0.773 399 G N 1.875 110.630 108.800 -0.076 0.000 2.231 399 G HA2 -0.147 3.826 3.960 0.022 0.000 0.206 399 G HA3 -0.147 3.826 3.960 0.022 0.000 0.206 399 G C -0.278 174.538 174.900 -0.140 0.000 0.996 399 G CA -0.461 44.574 45.100 -0.108 0.000 0.645 399 G HN 0.450 nan 8.290 nan 0.000 0.498 400 L N 0.143 121.291 121.223 -0.125 0.000 2.323 400 L HA 0.921 5.275 4.340 0.022 0.000 0.265 400 L C -0.525 176.283 176.870 -0.104 0.000 1.012 400 L CA -1.053 53.690 54.840 -0.162 0.000 0.820 400 L CB 2.118 43.999 42.059 -0.297 0.000 1.334 400 L HN 0.097 nan 8.230 nan 0.000 0.427 401 D N -0.688 119.642 120.400 -0.116 0.000 2.665 401 D HA 0.462 5.115 4.640 0.022 0.000 0.287 401 D C -1.306 174.946 176.300 -0.080 0.000 1.266 401 D CA -0.346 53.558 54.000 -0.160 0.000 0.830 401 D CB 1.963 42.751 40.800 -0.021 0.000 1.356 401 D HN 0.123 nan 8.370 nan 0.000 0.437 402 F N -0.216 119.879 119.950 0.241 0.000 2.377 402 F HA 0.547 5.087 4.527 0.022 0.000 0.335 402 F C 1.421 177.267 175.800 0.077 0.000 1.099 402 F CA -0.301 57.783 58.000 0.139 0.000 1.072 402 F CB 1.241 40.288 39.000 0.079 0.000 1.417 402 F HN 0.207 nan 8.300 nan 0.000 0.495 403 T N -3.269 111.402 114.554 0.196 0.000 2.831 403 T HA 0.311 4.674 4.350 0.022 0.000 0.287 403 T C -0.069 174.668 174.700 0.062 0.000 1.070 403 T CA -0.951 61.229 62.100 0.133 0.000 1.010 403 T CB 1.232 70.148 68.868 0.079 0.000 1.264 403 T HN 0.338 nan 8.240 nan 0.000 0.532 404 N N 1.037 119.774 118.700 0.063 0.000 2.461 404 N HA 0.057 4.810 4.740 0.022 0.000 0.188 404 N C 0.115 175.633 175.510 0.013 0.000 1.134 404 N CA 0.106 53.177 53.050 0.035 0.000 0.878 404 N CB -0.469 38.054 38.487 0.060 0.000 0.972 404 N HN 0.705 nan 8.380 nan 0.000 0.456 405 D N 2.196 122.592 120.400 -0.007 0.000 2.662 405 D HA -0.095 4.558 4.640 0.022 0.000 0.233 405 D C -1.410 174.888 176.300 -0.003 0.000 1.129 405 D CA -0.769 53.249 54.000 0.031 0.000 0.851 405 D CB 1.254 42.016 40.800 -0.063 0.000 1.152 405 D HN 0.154 nan 8.370 nan 0.000 0.507 406 P HA -0.091 nan 4.420 nan 0.000 0.229 406 P C 1.522 178.837 177.300 0.026 0.000 1.160 406 P CA 0.138 63.251 63.100 0.020 0.000 0.777 406 P CB 0.372 32.075 31.700 0.005 0.000 0.814 407 L N -0.351 120.910 121.223 0.063 0.000 2.102 407 L HA 0.021 4.374 4.340 0.022 0.000 0.202 407 L C 2.325 179.137 176.870 -0.095 0.000 1.076 407 L CA 1.236 56.116 54.840 0.067 0.000 0.761 407 L CB -1.524 40.656 42.059 0.202 0.000 0.921 407 L HN -0.176 nan 8.230 nan 0.000 0.444 408 L N -0.466 120.535 121.223 -0.370 0.000 2.017 408 L HA -0.213 4.140 4.340 0.022 0.000 0.208 408 L C 2.457 179.102 176.870 -0.374 0.000 1.073 408 L CA 1.790 56.191 54.840 -0.731 0.000 0.745 408 L CB -0.975 40.382 42.059 -1.169 0.000 0.894 408 L HN 0.362 nan 8.230 nan 0.000 0.432 409 Q N -0.099 119.544 119.800 -0.262 0.000 2.112 409 Q HA -0.189 4.164 4.340 0.022 0.000 0.206 409 Q C 2.083 178.017 176.000 -0.110 0.000 0.987 409 Q CA 1.877 57.568 55.803 -0.187 0.000 0.858 409 Q CB -0.834 27.836 28.738 -0.112 0.000 0.905 409 Q HN 0.720 nan 8.270 nan 0.000 0.420 410 G N 0.306 109.067 108.800 -0.065 0.000 2.430 410 G HA2 -0.186 3.787 3.960 0.022 0.000 0.216 410 G HA3 -0.186 3.787 3.960 0.022 0.000 0.216 410 G C 1.528 176.457 174.900 0.048 0.000 1.146 410 G CA 0.094 45.198 45.100 0.007 0.000 0.793 410 G HN 0.233 nan 8.290 nan 0.000 0.537 411 R N -0.044 120.443 120.500 -0.021 0.000 2.105 411 R HA 0.017 4.370 4.340 0.022 0.000 0.239 411 R C 2.532 178.933 176.300 0.168 0.000 1.135 411 R CA 0.934 57.078 56.100 0.072 0.000 0.967 411 R CB -0.514 29.808 30.300 0.035 0.000 0.861 411 R HN 0.338 nan 8.270 nan 0.000 0.442 412 L N -0.368 120.876 121.223 0.034 0.000 2.079 412 L HA -0.220 4.133 4.340 0.022 0.000 0.210 412 L C 2.343 179.326 176.870 0.188 0.000 1.081 412 L CA 1.302 56.178 54.840 0.059 0.000 0.752 412 L CB -0.500 41.415 42.059 -0.241 0.000 0.896 412 L HN 0.162 nan 8.230 nan 0.000 0.433 413 F N 0.082 120.046 119.950 0.024 0.000 2.128 413 F HA -0.178 4.362 4.527 0.022 0.000 0.295 413 F C 2.810 178.618 175.800 0.013 0.000 1.100 413 F CA 1.559 59.576 58.000 0.028 0.000 1.260 413 F CB -0.241 38.757 39.000 -0.004 0.000 1.009 413 F HN -0.066 nan 8.300 nan 0.000 0.476 414 S N -0.604 115.059 115.700 -0.062 0.000 2.356 414 S HA -0.233 4.250 4.470 0.022 0.000 0.223 414 S C 2.059 176.397 174.600 -0.437 0.000 1.032 414 S CA 1.696 59.741 58.200 -0.257 0.000 1.005 414 S CB -0.769 62.318 63.200 -0.188 0.000 0.867 414 S HN 0.553 nan 8.310 nan 0.000 0.449 415 Y N 1.513 121.477 120.300 -0.559 0.000 2.181 415 Y HA -0.096 4.467 4.550 0.022 0.000 0.288 415 Y C 3.038 178.555 175.900 -0.638 0.000 1.146 415 Y CA 1.561 59.224 58.100 -0.727 0.000 1.164 415 Y CB -1.074 36.602 38.460 -1.307 0.000 0.982 415 Y HN 0.229 nan 8.280 nan 0.000 0.515 416 T N -0.291 114.039 114.554 -0.373 0.000 2.635 416 T HA -0.270 4.093 4.350 0.022 0.000 0.267 416 T C 1.448 176.010 174.700 -0.230 0.000 1.040 416 T CA 1.931 63.951 62.100 -0.133 0.000 1.156 416 T CB -0.547 68.328 68.868 0.012 0.000 0.863 416 T HN 0.420 nan 8.240 nan 0.000 0.430 417 D N 0.093 120.263 120.400 -0.383 0.000 2.084 417 D HA -0.107 4.546 4.640 0.022 0.000 0.194 417 D C 2.334 178.490 176.300 -0.241 0.000 0.990 417 D CA 1.703 55.493 54.000 -0.349 0.000 0.826 417 D CB -0.509 39.931 40.800 -0.600 0.000 0.971 417 D HN 0.245 nan 8.370 nan 0.000 0.453 418 T N -0.983 113.406 114.554 -0.275 0.000 2.720 418 T HA -0.188 4.175 4.350 0.022 0.000 0.268 418 T C 1.906 176.475 174.700 -0.218 0.000 1.037 418 T CA 1.644 63.612 62.100 -0.220 0.000 1.144 418 T CB -0.273 68.444 68.868 -0.253 0.000 0.864 418 T HN 0.234 nan 8.240 nan 0.000 0.444 419 Q N -0.306 119.306 119.800 -0.314 0.000 2.170 419 Q HA -0.031 4.322 4.340 0.022 0.000 0.203 419 Q C 2.163 177.991 176.000 -0.287 0.000 0.976 419 Q CA 1.147 56.693 55.803 -0.429 0.000 0.858 419 Q CB -0.204 28.029 28.738 -0.843 0.000 0.907 419 Q HN 0.453 nan 8.270 nan 0.000 0.433 420 I N 0.229 120.707 120.570 -0.152 0.000 2.567 420 I HA -0.232 3.951 4.170 0.022 0.000 0.257 420 I C 2.193 178.318 176.117 0.013 0.000 1.184 420 I CA 1.333 62.638 61.300 0.010 0.000 1.451 420 I CB -0.094 37.931 38.000 0.042 0.000 1.089 420 I HN 0.178 nan 8.210 nan 0.000 0.441 421 S N -0.846 114.840 115.700 -0.025 0.000 2.545 421 S HA 0.019 4.502 4.470 0.022 0.000 0.232 421 S C 2.156 176.758 174.600 0.004 0.000 1.070 421 S CA -0.130 58.071 58.200 0.002 0.000 0.923 421 S CB -0.338 62.860 63.200 -0.003 0.000 0.806 421 S HN 0.309 nan 8.310 nan 0.000 0.506 422 R N 1.111 121.589 120.500 -0.036 0.000 2.083 422 R HA 0.127 4.480 4.340 0.022 0.000 0.237 422 R C 1.155 177.455 176.300 0.000 0.000 1.137 422 R CA 1.604 57.686 56.100 -0.030 0.000 0.951 422 R CB -0.347 29.908 30.300 -0.075 0.000 0.851 422 R HN 0.467 nan 8.270 nan 0.000 0.434 423 L N -0.149 121.071 121.223 -0.006 0.000 2.791 423 L HA 0.327 4.680 4.340 0.022 0.000 0.239 423 L C 0.791 177.765 176.870 0.173 0.000 1.203 423 L CA 0.207 55.081 54.840 0.057 0.000 1.002 423 L CB 0.889 42.967 42.059 0.032 0.000 1.295 423 L HN 0.590 nan 8.230 nan 0.000 0.504 424 G N 0.023 108.923 108.800 0.166 0.000 2.166 424 G HA2 -0.158 3.816 3.960 0.022 0.000 0.260 424 G HA3 -0.158 3.816 3.960 0.022 0.000 0.260 424 G C 0.473 175.473 174.900 0.166 0.000 0.986 424 G CA 0.184 45.417 45.100 0.222 0.000 0.683 424 G HN 0.800 nan 8.290 nan 0.000 0.527 425 G N -1.896 107.016 108.800 0.187 0.000 2.341 425 G HA2 0.606 4.579 3.960 0.022 0.000 0.293 425 G HA3 0.606 4.579 3.960 0.022 0.000 0.293 425 G C -2.384 172.691 174.900 0.292 0.000 1.298 425 G CA 0.324 45.522 45.100 0.163 0.000 0.868 425 G HN 0.428 nan 8.290 nan 0.000 0.540 426 P HA 0.156 nan 4.420 nan 0.000 0.255 426 P C 0.100 177.454 177.300 0.089 0.000 1.248 426 P CA 0.245 63.491 63.100 0.243 0.000 0.807 426 P CB 0.254 32.042 31.700 0.148 0.000 1.150 427 N N 0.407 119.155 118.700 0.080 0.000 2.321 427 N HA 0.086 4.839 4.740 0.022 0.000 0.242 427 N C 0.930 176.295 175.510 -0.242 0.000 1.141 427 N CA -0.213 52.765 53.050 -0.119 0.000 0.864 427 N CB -0.400 38.049 38.487 -0.063 0.000 1.100 427 N HN 0.247 nan 8.380 nan 0.000 0.510 428 F N 0.559 120.538 119.950 0.047 0.000 2.451 428 F HA -0.023 4.516 4.527 0.020 0.000 0.299 428 F C 2.221 177.990 175.800 -0.053 0.000 1.101 428 F CA 0.604 58.599 58.000 -0.008 0.000 1.436 428 F CB -0.667 38.348 39.000 0.026 0.000 1.074 428 F HN 0.156 nan 8.300 nan 0.000 0.553 429 H N 0.483 119.159 119.070 -0.658 0.000 2.524 429 H HA 0.073 4.642 4.556 0.022 0.000 0.282 429 H C 0.810 175.973 175.328 -0.275 0.000 1.016 429 H CA 1.300 57.083 56.048 -0.443 0.000 1.270 429 H CB -0.686 28.685 29.762 -0.651 0.000 1.394 429 H HN 0.513 nan 8.280 nan 0.000 0.568 430 E N 1.025 120.805 120.200 -0.700 0.000 2.478 430 E HA 0.172 4.535 4.350 0.022 0.000 0.194 430 E C 0.291 176.769 176.600 -0.202 0.000 1.045 430 E CA -0.244 55.906 56.400 -0.416 0.000 0.868 430 E CB 0.462 29.926 29.700 -0.393 0.000 0.885 430 E HN 0.440 nan 8.360 nan 0.000 0.505 431 I N 2.638 123.119 120.570 -0.148 0.000 2.598 431 I HA -0.031 4.152 4.170 0.022 0.000 0.284 431 I C -1.549 174.509 176.117 -0.098 0.000 1.140 431 I CA -1.641 59.602 61.300 -0.095 0.000 1.420 431 I CB 0.627 38.591 38.000 -0.061 0.000 1.387 431 I HN -0.193 nan 8.210 nan 0.000 0.553 432 P HA -0.281 nan 4.420 nan 0.000 0.218 432 P C 1.759 178.987 177.300 -0.120 0.000 1.165 432 P CA 1.426 64.466 63.100 -0.099 0.000 0.922 432 P CB 0.143 31.791 31.700 -0.087 0.000 0.794 433 I N -0.848 119.626 120.570 -0.159 0.000 2.315 433 I HA -0.232 3.952 4.170 0.022 0.000 0.251 433 I C 1.390 177.446 176.117 -0.102 0.000 1.125 433 I CA 1.824 62.986 61.300 -0.230 0.000 1.392 433 I CB -0.640 37.117 38.000 -0.406 0.000 1.065 433 I HN -0.088 nan 8.210 nan 0.000 0.424 434 N N 0.614 119.271 118.700 -0.072 0.000 2.422 434 N HA 0.033 4.786 4.740 0.022 0.000 0.181 434 N C 0.268 175.797 175.510 0.031 0.000 1.080 434 N CA 0.191 53.230 53.050 -0.018 0.000 0.893 434 N CB -0.125 38.370 38.487 0.013 0.000 0.973 434 N HN 0.400 nan 8.380 nan 0.000 0.456 435 R N 1.630 122.133 120.500 0.006 0.000 2.570 435 R HA 0.128 4.481 4.340 0.022 0.000 0.277 435 R C -2.239 174.110 176.300 0.081 0.000 1.039 435 R CA -1.109 54.986 56.100 -0.008 0.000 1.065 435 R CB -0.259 30.018 30.300 -0.037 0.000 0.964 435 R HN 0.033 nan 8.270 nan 0.000 0.428 436 P HA -0.016 nan 4.420 nan 0.000 0.269 436 P C 0.557 177.910 177.300 0.089 0.000 1.215 436 P CA 0.009 63.165 63.100 0.094 0.000 0.780 436 P CB 0.693 32.404 31.700 0.018 0.000 0.898 437 T N -2.622 111.998 114.554 0.109 0.000 3.065 437 T HA 0.056 4.420 4.350 0.022 0.000 0.252 437 T C 0.905 175.640 174.700 0.059 0.000 1.099 437 T CA 0.054 62.177 62.100 0.039 0.000 1.063 437 T CB -0.998 67.873 68.868 0.005 0.000 0.948 437 T HN 0.572 nan 8.240 nan 0.000 0.506 438 C N 1.090 120.441 119.300 0.084 0.000 2.345 438 C HA 0.778 5.251 4.460 0.022 0.000 0.369 438 C C -2.449 172.596 174.990 0.091 0.000 1.273 438 C CA -2.515 56.553 59.018 0.083 0.000 2.310 438 C CB -0.011 27.782 27.740 0.089 0.000 2.219 438 C HN 0.162 nan 8.230 nan 0.000 0.587 439 P HA 0.308 nan 4.420 nan 0.000 0.269 439 P C -1.259 176.108 177.300 0.113 0.000 1.209 439 P CA 0.392 63.560 63.100 0.114 0.000 0.776 439 P CB -0.013 31.798 31.700 0.185 0.000 0.876 440 Y N 0.569 120.732 120.300 -0.229 0.000 2.362 440 Y HA 0.608 5.170 4.550 0.021 0.000 0.326 440 Y C -1.579 173.968 175.900 -0.589 0.000 1.083 440 Y CA -0.857 57.091 58.100 -0.253 0.000 1.073 440 Y CB 1.111 39.463 38.460 -0.179 0.000 1.211 440 Y HN 0.431 nan 8.280 nan 0.000 0.433 441 H N 4.022 122.979 119.070 -0.187 0.000 2.856 441 H HA 0.580 5.150 4.556 0.022 0.000 0.355 441 H C -1.136 174.059 175.328 -0.222 0.000 1.079 441 H CA -0.767 55.095 56.048 -0.311 0.000 1.240 441 H CB 1.714 31.333 29.762 -0.240 0.000 1.701 441 H HN 0.881 nan 8.280 nan 0.000 0.527 442 N N 0.363 118.939 118.700 -0.207 0.000 3.378 442 N HA 0.209 4.963 4.740 0.022 0.000 0.294 442 N C -1.192 174.108 175.510 -0.350 0.000 1.544 442 N CA -0.926 51.980 53.050 -0.241 0.000 0.872 442 N CB 0.799 39.288 38.487 0.003 0.000 1.670 442 N HN 0.300 nan 8.380 nan 0.000 0.551 443 F N -0.440 119.544 119.950 0.058 0.000 2.639 443 F HA 0.351 4.891 4.527 0.021 0.000 0.302 443 F C 0.326 176.166 175.800 0.067 0.000 1.097 443 F CA -0.401 57.631 58.000 0.054 0.000 1.294 443 F CB 0.247 39.275 39.000 0.046 0.000 1.027 443 F HN 0.134 nan 8.300 nan 0.000 0.550 444 Q N 1.775 121.684 119.800 0.183 0.000 2.332 444 Q HA 0.377 4.730 4.340 0.022 0.000 0.263 444 Q C 0.054 176.131 176.000 0.130 0.000 0.979 444 Q CA 0.020 55.910 55.803 0.145 0.000 0.885 444 Q CB 1.046 29.851 28.738 0.111 0.000 1.218 444 Q HN 0.109 nan 8.270 nan 0.000 0.405 445 R N 1.737 122.308 120.500 0.119 0.000 2.855 445 R HA 0.362 4.715 4.340 0.022 0.000 0.266 445 R C -0.531 175.819 176.300 0.085 0.000 1.034 445 R CA -0.652 55.508 56.100 0.101 0.000 0.944 445 R CB 1.105 31.466 30.300 0.102 0.000 1.219 445 R HN 0.703 nan 8.270 nan 0.000 0.474 446 D N -0.180 120.262 120.400 0.070 0.000 3.369 446 D HA -0.184 4.469 4.640 0.022 0.000 0.217 446 D C 0.371 176.703 176.300 0.053 0.000 1.532 446 D CA 2.017 56.050 54.000 0.054 0.000 1.126 446 D CB -1.056 39.773 40.800 0.048 0.000 0.683 446 D HN 0.893 nan 8.370 nan 0.000 0.827 447 G N -1.396 107.426 108.800 0.037 0.000 2.692 447 G HA2 0.193 4.166 3.960 0.022 0.000 0.686 447 G HA3 0.193 4.166 3.960 0.022 0.000 0.686 447 G C -0.268 174.628 174.900 -0.006 0.000 1.243 447 G CA 0.023 45.140 45.100 0.028 0.000 0.782 447 G HN 0.762 nan 8.290 nan 0.000 0.625 448 M N 1.597 121.159 119.600 -0.062 0.000 2.245 448 M HA 0.411 4.905 4.480 0.022 0.000 0.335 448 M C 1.326 177.550 176.300 -0.127 0.000 1.155 448 M CA 1.558 56.736 55.300 -0.203 0.000 1.055 448 M CB -0.675 31.658 32.600 -0.444 0.000 1.670 448 M HN 1.241 nan 8.290 nan 0.000 0.447 449 H N -0.292 118.788 119.070 0.017 0.000 2.839 449 H HA -0.173 4.395 4.556 0.021 0.000 0.298 449 H C -0.418 174.904 175.328 -0.009 0.000 1.224 449 H CA 0.388 56.440 56.048 0.007 0.000 1.144 449 H CB -1.578 28.191 29.762 0.011 0.000 1.372 449 H HN 0.580 nan 8.280 nan 0.000 0.408 450 R N 1.516 122.065 120.500 0.082 0.000 2.351 450 R HA 0.104 4.457 4.340 0.022 0.000 0.318 450 R C 0.947 177.266 176.300 0.032 0.000 1.055 450 R CA -0.015 56.112 56.100 0.045 0.000 0.968 450 R CB 0.342 30.667 30.300 0.042 0.000 0.974 450 R HN 0.312 nan 8.270 nan 0.000 0.439 451 M N 2.539 122.143 119.600 0.006 0.000 2.412 451 M HA 0.215 4.709 4.480 0.022 0.000 0.263 451 M C 0.983 177.283 176.300 -0.001 0.000 1.122 451 M CA 0.943 56.241 55.300 -0.003 0.000 1.179 451 M CB -0.816 31.767 32.600 -0.029 0.000 1.335 451 M HN 0.682 nan 8.290 nan 0.000 0.465 452 G N 2.069 110.871 108.800 0.003 0.000 2.343 452 G HA2 0.377 4.350 3.960 0.022 0.000 0.254 452 G HA3 0.377 4.350 3.960 0.022 0.000 0.254 452 G C -0.351 174.550 174.900 0.002 0.000 1.277 452 G CA -0.354 44.745 45.100 -0.001 0.000 0.909 452 G HN 0.314 nan 8.290 nan 0.000 0.502 453 I N 2.917 123.483 120.570 -0.007 0.000 2.306 453 I HA 0.106 4.289 4.170 0.022 0.000 0.288 453 I C -0.245 175.868 176.117 -0.007 0.000 1.036 453 I CA -0.541 60.759 61.300 0.000 0.000 1.221 453 I CB 0.954 38.955 38.000 0.001 0.000 1.385 453 I HN 0.360 nan 8.210 nan 0.000 0.472 454 D N 4.697 125.098 120.400 0.001 0.000 2.351 454 D HA 0.082 4.735 4.640 0.022 0.000 0.251 454 D C 1.155 177.460 176.300 0.008 0.000 1.137 454 D CA 0.202 54.200 54.000 -0.003 0.000 0.879 454 D CB 1.885 42.689 40.800 0.006 0.000 1.181 454 D HN 0.572 nan 8.370 nan 0.000 0.448 455 T N -1.039 113.516 114.554 0.001 0.000 3.040 455 T HA -0.052 4.311 4.350 0.022 0.000 0.250 455 T C 0.826 175.536 174.700 0.017 0.000 1.058 455 T CA -0.519 61.584 62.100 0.006 0.000 0.988 455 T CB 0.160 69.024 68.868 -0.007 0.000 0.993 455 T HN 0.121 nan 8.240 nan 0.000 0.519 456 N N 3.386 122.098 118.700 0.019 0.000 2.411 456 N HA 0.096 4.849 4.740 0.022 0.000 0.261 456 N C -1.731 173.821 175.510 0.070 0.000 1.248 456 N CA -1.484 51.591 53.050 0.042 0.000 0.885 456 N CB 1.439 39.954 38.487 0.047 0.000 1.062 456 N HN 0.067 nan 8.380 nan 0.000 0.471 457 P HA -0.014 nan 4.420 nan 0.000 0.218 457 P C -0.571 176.793 177.300 0.106 0.000 1.149 457 P CA 0.937 64.085 63.100 0.079 0.000 0.817 457 P CB 0.216 31.957 31.700 0.067 0.000 0.785 458 A N 0.601 123.477 122.820 0.094 0.000 2.306 458 A HA 0.379 4.712 4.320 0.022 0.000 0.314 458 A C 0.528 178.228 177.584 0.193 0.000 1.164 458 A CA -0.594 51.460 52.037 0.028 0.000 0.822 458 A CB -0.045 18.830 19.000 -0.207 0.000 1.130 458 A HN 0.291 nan 8.150 nan 0.000 0.496 459 N N 0.091 118.930 118.700 0.230 0.000 2.238 459 N HA 0.310 5.063 4.740 0.022 0.000 0.235 459 N C -0.794 174.862 175.510 0.244 0.000 1.209 459 N CA -0.316 52.943 53.050 0.348 0.000 0.879 459 N CB 0.371 39.018 38.487 0.267 0.000 1.136 459 N HN 0.703 nan 8.380 nan 0.000 0.517 460 Y N -0.615 119.533 120.300 -0.254 0.000 2.625 460 Y HA 0.699 5.262 4.550 0.021 0.000 0.338 460 Y C -1.453 173.837 175.900 -1.017 0.000 1.123 460 Y CA -1.360 56.425 58.100 -0.525 0.000 1.046 460 Y CB 1.107 39.428 38.460 -0.231 0.000 1.299 460 Y HN 0.041 nan 8.280 nan 0.000 0.464 461 E N 0.845 120.567 120.200 -0.797 0.000 2.356 461 E HA 0.635 4.998 4.350 0.022 0.000 0.275 461 E C -3.181 173.312 176.600 -0.178 0.000 0.904 461 E CA -2.062 53.961 56.400 -0.628 0.000 0.757 461 E CB 1.704 31.010 29.700 -0.656 0.000 1.232 461 E HN 0.571 nan 8.360 nan 0.000 0.442 462 P HA 0.301 nan 4.420 nan 0.000 0.278 462 P C -1.276 175.963 177.300 -0.102 0.000 1.238 462 P CA -0.467 62.561 63.100 -0.119 0.000 0.794 462 P CB 0.551 32.218 31.700 -0.054 0.000 0.955 463 N N -1.436 117.136 118.700 -0.213 0.000 2.284 463 N HA 0.338 5.091 4.740 0.022 0.000 0.289 463 N C 0.270 175.732 175.510 -0.080 0.000 1.179 463 N CA -0.782 52.151 53.050 -0.195 0.000 0.774 463 N CB 1.406 39.484 38.487 -0.681 0.000 1.548 463 N HN 0.188 nan 8.380 nan 0.000 0.473 464 S N 0.523 116.224 115.700 0.001 0.000 2.502 464 S HA -0.004 4.480 4.470 0.022 0.000 0.215 464 S C 1.535 176.150 174.600 0.025 0.000 1.009 464 S CA 0.004 58.209 58.200 0.009 0.000 0.908 464 S CB -0.788 62.429 63.200 0.028 0.000 0.801 464 S HN 0.717 nan 8.310 nan 0.000 0.505 465 I N -0.688 119.902 120.570 0.034 0.000 2.830 465 I HA 0.207 4.390 4.170 0.022 0.000 0.263 465 I C 1.304 177.454 176.117 0.054 0.000 1.230 465 I CA 1.268 62.599 61.300 0.052 0.000 1.480 465 I CB -0.359 37.690 38.000 0.082 0.000 1.095 465 I HN 0.191 nan 8.210 nan 0.000 0.455 466 N N 1.072 119.804 118.700 0.054 0.000 2.291 466 N HA 0.037 4.790 4.740 0.022 0.000 0.244 466 N C -0.117 175.510 175.510 0.194 0.000 1.216 466 N CA -0.050 53.072 53.050 0.120 0.000 0.879 466 N CB 0.068 38.640 38.487 0.142 0.000 1.167 466 N HN 0.208 nan 8.380 nan 0.000 0.515 467 D N 0.757 121.222 120.400 0.108 0.000 2.751 467 D HA -0.254 4.400 4.640 0.022 0.000 0.233 467 D C -0.130 176.097 176.300 -0.122 0.000 1.149 467 D CA 1.030 55.067 54.000 0.061 0.000 0.682 467 D CB -1.414 39.497 40.800 0.186 0.000 1.068 467 D HN 0.473 nan 8.370 nan 0.000 0.429 468 N N -1.657 116.985 118.700 -0.097 0.000 2.753 468 N HA -0.248 4.506 4.740 0.022 0.000 0.251 468 N C -0.849 174.589 175.510 -0.121 0.000 1.097 468 N CA 1.414 54.372 53.050 -0.152 0.000 0.786 468 N CB -1.243 37.102 38.487 -0.237 0.000 1.137 468 N HN 0.545 nan 8.380 nan 0.000 0.566 469 W N 0.959 122.308 121.300 0.081 0.000 2.381 469 W HA 0.447 5.119 4.660 0.021 0.000 0.329 469 W C -1.669 174.852 176.519 0.004 0.000 1.157 469 W CA -1.665 55.700 57.345 0.033 0.000 1.240 469 W CB 0.660 30.095 29.460 -0.043 0.000 1.199 469 W HN -0.042 nan 8.180 nan 0.000 0.579 470 P HA 0.201 nan 4.420 nan 0.000 0.274 470 P C -0.654 176.745 177.300 0.164 0.000 1.231 470 P CA -0.139 63.075 63.100 0.190 0.000 0.790 470 P CB 1.056 32.729 31.700 -0.045 0.000 0.951 471 R N 1.005 121.578 120.500 0.122 0.000 2.668 471 R HA 0.339 4.692 4.340 0.022 0.000 0.279 471 R C 0.317 176.628 176.300 0.019 0.000 0.976 471 R CA -0.841 55.216 56.100 -0.071 0.000 0.978 471 R CB 1.138 31.162 30.300 -0.461 0.000 1.133 471 R HN 0.495 nan 8.270 nan 0.000 0.484 472 E N 0.681 120.886 120.200 0.008 0.000 2.418 472 E HA 0.063 4.426 4.350 0.022 0.000 0.261 472 E C -0.557 176.055 176.600 0.020 0.000 1.070 472 E CA 0.537 56.957 56.400 0.034 0.000 0.931 472 E CB 0.692 30.409 29.700 0.028 0.000 0.954 472 E HN 0.352 nan 8.360 nan 0.000 0.439 473 T N 3.268 117.847 114.554 0.043 0.000 2.879 473 T HA 0.337 4.700 4.350 0.022 0.000 0.290 473 T C -2.471 172.249 174.700 0.033 0.000 0.993 473 T CA -1.630 60.494 62.100 0.040 0.000 0.975 473 T CB 1.403 70.308 68.868 0.062 0.000 0.981 473 T HN 0.250 nan 8.240 nan 0.000 0.439 474 P HA 0.257 nan 4.420 nan 0.000 0.269 474 P C -2.507 174.797 177.300 0.007 0.000 1.215 474 P CA -1.410 61.695 63.100 0.009 0.000 0.780 474 P CB -0.447 31.253 31.700 0.001 0.000 0.898 475 P HA 0.288 nan 4.420 nan 0.000 0.272 475 P C -0.014 177.274 177.300 -0.020 0.000 1.223 475 P CA 0.373 63.458 63.100 -0.025 0.000 0.784 475 P CB 0.671 32.335 31.700 -0.060 0.000 0.923 476 G N 0.805 109.593 108.800 -0.020 0.000 2.548 476 G HA2 0.423 4.396 3.960 0.022 0.000 0.301 476 G HA3 0.423 4.396 3.960 0.022 0.000 0.301 476 G C -2.500 172.389 174.900 -0.018 0.000 1.349 476 G CA -0.747 44.345 45.100 -0.014 0.000 0.792 476 G HN 0.151 nan 8.290 nan 0.000 0.481 477 P HA 0.090 nan 4.420 nan 0.000 0.219 477 P C 0.067 177.362 177.300 -0.010 0.000 1.150 477 P CA 1.095 64.185 63.100 -0.016 0.000 0.814 477 P CB 0.187 31.879 31.700 -0.012 0.000 0.787 478 K N -1.175 119.226 120.400 0.002 0.000 2.498 478 K HA 0.425 4.758 4.320 0.022 0.000 0.254 478 K C -0.009 176.605 176.600 0.024 0.000 0.933 478 K CA -0.799 55.496 56.287 0.013 0.000 0.806 478 K CB 1.618 34.127 32.500 0.015 0.000 1.301 478 K HN -0.330 nan 8.250 nan 0.000 0.432 479 R N -0.342 120.179 120.500 0.036 0.000 3.627 479 R HA -0.154 4.199 4.340 0.022 0.000 0.281 479 R C 0.044 176.372 176.300 0.046 0.000 1.140 479 R CA 1.053 57.181 56.100 0.047 0.000 0.761 479 R CB -2.228 28.100 30.300 0.046 0.000 1.181 479 R HN 0.959 nan 8.270 nan 0.000 0.472 480 G N -1.037 107.786 108.800 0.038 0.000 2.552 480 G HA2 0.646 4.619 3.960 0.022 0.000 0.324 480 G HA3 0.646 4.619 3.960 0.022 0.000 0.324 480 G C 0.291 175.222 174.900 0.052 0.000 1.217 480 G CA 0.013 45.134 45.100 0.035 0.000 0.989 480 G HN 0.253 nan 8.290 nan 0.000 0.490 481 G N -1.294 107.538 108.800 0.054 0.000 2.594 481 G HA2 0.389 4.362 3.960 0.022 0.000 0.243 481 G HA3 0.389 4.362 3.960 0.022 0.000 0.243 481 G C -0.607 174.349 174.900 0.093 0.000 1.229 481 G CA -0.476 44.677 45.100 0.088 0.000 0.843 481 G HN 0.468 nan 8.290 nan 0.000 0.578 482 F N 0.314 120.274 119.950 0.016 0.000 2.456 482 F HA 0.414 4.955 4.527 0.023 0.000 0.358 482 F C 0.514 176.323 175.800 0.016 0.000 1.095 482 F CA -0.221 57.784 58.000 0.008 0.000 1.216 482 F CB 0.917 39.921 39.000 0.006 0.000 1.125 482 F HN 0.450 nan 8.300 nan 0.000 0.549 483 E N 4.109 123.948 120.200 -0.602 0.000 2.275 483 E HA 0.297 4.660 4.350 0.022 0.000 0.270 483 E C -1.175 175.078 176.600 -0.580 0.000 0.882 483 E CA -0.764 55.435 56.400 -0.335 0.000 0.758 483 E CB 1.606 31.197 29.700 -0.182 0.000 1.195 483 E HN 0.633 nan 8.360 nan 0.000 0.419 484 S N 2.422 118.018 115.700 -0.173 0.000 2.572 484 S HA 0.001 4.484 4.470 0.022 0.000 0.279 484 S C -0.563 174.015 174.600 -0.037 0.000 1.341 484 S CA -0.329 57.848 58.200 -0.040 0.000 1.043 484 S CB 0.144 63.455 63.200 0.185 0.000 0.887 484 S HN 0.475 nan 8.310 nan 0.000 0.516 485 Y N 2.431 122.666 120.300 -0.108 0.000 2.620 485 Y HA 0.006 4.569 4.550 0.022 0.000 0.330 485 Y C 0.836 176.717 175.900 -0.032 0.000 1.186 485 Y CA 0.056 58.103 58.100 -0.087 0.000 1.467 485 Y CB 0.158 38.568 38.460 -0.083 0.000 1.262 485 Y HN 0.578 nan 8.280 nan 0.000 0.550 486 Q N 5.510 124.962 119.800 -0.580 0.000 3.223 486 Q HA -0.014 4.339 4.340 0.022 0.000 0.299 486 Q C -0.176 175.494 176.000 -0.550 0.000 1.385 486 Q CA 0.038 55.573 55.803 -0.446 0.000 0.942 486 Q CB -0.243 28.315 28.738 -0.300 0.000 1.748 486 Q HN 0.667 nan 8.270 nan 0.000 0.523 487 E N 1.611 121.560 120.200 -0.418 0.000 2.384 487 E HA -0.014 4.349 4.350 0.022 0.000 0.266 487 E C -0.319 176.232 176.600 -0.081 0.000 1.012 487 E CA -0.336 55.952 56.400 -0.186 0.000 0.901 487 E CB 0.691 30.432 29.700 0.067 0.000 0.967 487 E HN 0.267 nan 8.360 nan 0.000 0.435 488 R N 3.209 123.690 120.500 -0.032 0.000 2.442 488 R HA 0.161 4.515 4.340 0.022 0.000 0.291 488 R C -1.186 175.132 176.300 0.029 0.000 1.069 488 R CA -0.318 55.780 56.100 -0.003 0.000 1.022 488 R CB 0.612 30.921 30.300 0.015 0.000 0.976 488 R HN 0.326 nan 8.270 nan 0.000 0.443 489 V N 4.686 124.611 119.914 0.018 0.000 2.417 489 V HA 0.370 4.503 4.120 0.022 0.000 0.291 489 V C -0.358 175.747 176.094 0.018 0.000 1.024 489 V CA -0.468 61.847 62.300 0.026 0.000 0.861 489 V CB 1.494 33.330 31.823 0.021 0.000 0.985 489 V HN 0.834 nan 8.190 nan 0.000 0.436 490 E N 2.751 122.964 120.200 0.021 0.000 2.311 490 E HA 0.647 5.011 4.350 0.022 0.000 0.281 490 E C -0.465 176.140 176.600 0.007 0.000 0.905 490 E CA -0.109 56.297 56.400 0.011 0.000 0.778 490 E CB 2.249 31.955 29.700 0.010 0.000 1.240 490 E HN 0.992 nan 8.360 nan 0.000 0.410 491 G N 2.770 111.570 108.800 -0.001 0.000 2.356 491 G HA2 0.019 3.992 3.960 0.022 0.000 0.300 491 G HA3 0.019 3.992 3.960 0.022 0.000 0.300 491 G C -1.465 173.429 174.900 -0.011 0.000 1.331 491 G CA -0.983 44.114 45.100 -0.006 0.000 0.905 491 G HN 0.428 nan 8.290 nan 0.000 0.587 492 N N 0.092 118.782 118.700 -0.016 0.000 2.495 492 N HA 0.338 5.091 4.740 0.022 0.000 0.280 492 N C -0.194 175.303 175.510 -0.023 0.000 1.168 492 N CA -0.285 52.755 53.050 -0.018 0.000 0.978 492 N CB 1.217 39.692 38.487 -0.019 0.000 1.191 492 N HN 0.489 nan 8.380 nan 0.000 0.497 493 K N 1.009 121.395 120.400 -0.023 0.000 2.294 493 K HA 0.171 4.505 4.320 0.022 0.000 0.288 493 K C -0.271 176.307 176.600 -0.036 0.000 1.072 493 K CA -0.162 56.107 56.287 -0.029 0.000 0.960 493 K CB -0.124 32.361 32.500 -0.026 0.000 1.043 493 K HN 0.335 nan 8.250 nan 0.000 0.455 494 V N 0.064 119.951 119.914 -0.044 0.000 2.914 494 V HA 0.495 4.629 4.120 0.022 0.000 0.314 494 V C -0.340 175.713 176.094 -0.069 0.000 1.084 494 V CA -1.336 60.933 62.300 -0.052 0.000 0.963 494 V CB 2.082 33.876 31.823 -0.049 0.000 1.025 494 V HN 0.583 nan 8.190 nan 0.000 0.432 495 R N 1.932 122.387 120.500 -0.075 0.000 2.666 495 R HA 0.551 4.904 4.340 0.022 0.000 0.275 495 R C -0.556 175.692 176.300 -0.087 0.000 1.266 495 R CA -0.102 55.939 56.100 -0.099 0.000 1.401 495 R CB 0.692 30.921 30.300 -0.118 0.000 1.145 495 R HN 0.930 nan 8.270 nan 0.000 0.581 496 E N 1.626 121.771 120.200 -0.091 0.000 2.308 496 E HA 0.242 4.605 4.350 0.022 0.000 0.275 496 E C -1.255 175.275 176.600 -0.117 0.000 0.890 496 E CA -1.032 55.317 56.400 -0.085 0.000 0.754 496 E CB 1.705 31.363 29.700 -0.071 0.000 1.207 496 E HN 0.085 nan 8.360 nan 0.000 0.426 497 R N 1.812 122.250 120.500 -0.104 0.000 2.298 497 R HA 0.195 4.548 4.340 0.022 0.000 0.310 497 R C -0.559 175.636 176.300 -0.175 0.000 1.068 497 R CA 0.050 56.055 56.100 -0.158 0.000 0.957 497 R CB 1.099 31.360 30.300 -0.065 0.000 1.003 497 R HN 0.370 nan 8.270 nan 0.000 0.454 498 S N 5.528 121.025 115.700 -0.339 0.000 2.544 498 S HA 0.071 4.554 4.470 0.022 0.000 0.290 498 S C -1.481 173.094 174.600 -0.042 0.000 1.276 498 S CA -1.152 56.921 58.200 -0.212 0.000 1.075 498 S CB 0.593 63.616 63.200 -0.294 0.000 0.849 498 S HN 0.548 nan 8.310 nan 0.000 0.494 499 P HA -0.113 nan 4.420 nan 0.000 0.219 499 P C 1.514 178.866 177.300 0.088 0.000 1.146 499 P CA 1.281 64.405 63.100 0.039 0.000 0.808 499 P CB -0.186 31.526 31.700 0.020 0.000 0.779 500 S N -2.114 113.678 115.700 0.154 0.000 2.469 500 S HA -0.110 4.373 4.470 0.022 0.000 0.238 500 S C 1.496 176.254 174.600 0.264 0.000 0.998 500 S CA 0.820 59.139 58.200 0.198 0.000 0.957 500 S CB -1.373 61.975 63.200 0.246 0.000 0.764 500 S HN -0.029 nan 8.310 nan 0.000 0.514 501 F N 2.220 122.158 119.950 -0.019 0.000 2.743 501 F HA 0.378 4.918 4.527 0.022 0.000 0.297 501 F C 2.057 177.792 175.800 -0.107 0.000 1.131 501 F CA -0.719 57.265 58.000 -0.026 0.000 1.426 501 F CB -0.765 38.249 39.000 0.023 0.000 1.116 501 F HN 0.341 nan 8.300 nan 0.000 0.583 502 G N 0.736 109.544 108.800 0.014 0.000 3.353 502 G HA2 0.057 4.030 3.960 0.022 0.000 0.247 502 G HA3 0.057 4.030 3.960 0.022 0.000 0.247 502 G C 0.001 174.479 174.900 -0.704 0.000 1.025 502 G CA 0.205 45.120 45.100 -0.308 0.000 1.863 502 G HN 0.046 nan 8.290 nan 0.000 0.635 503 E N 0.074 119.792 120.200 -0.804 0.000 2.263 503 E HA 0.321 4.685 4.350 0.022 0.000 0.268 503 E C -0.858 175.349 176.600 -0.654 0.000 0.884 503 E CA -0.779 55.231 56.400 -0.650 0.000 0.766 503 E CB 1.459 31.019 29.700 -0.234 0.000 1.196 503 E HN 0.205 nan 8.360 nan 0.000 0.416 504 Y N 2.617 122.722 120.300 -0.326 0.000 2.423 504 Y HA 0.188 4.751 4.550 0.022 0.000 0.257 504 Y C 0.869 176.514 175.900 -0.425 0.000 1.087 504 Y CA -0.094 57.724 58.100 -0.469 0.000 1.258 504 Y CB 0.319 38.328 38.460 -0.751 0.000 1.237 504 Y HN 0.425 nan 8.280 nan 0.000 0.517 505 Y N -0.969 119.423 120.300 0.153 0.000 2.535 505 Y HA 0.066 4.630 4.550 0.022 0.000 0.266 505 Y C 2.501 178.464 175.900 0.106 0.000 1.088 505 Y CA 0.250 58.431 58.100 0.135 0.000 1.285 505 Y CB -0.474 38.069 38.460 0.140 0.000 1.166 505 Y HN 0.069 nan 8.280 nan 0.000 0.525 506 S N -0.477 115.360 115.700 0.229 0.000 2.382 506 S HA -0.222 4.262 4.470 0.022 0.000 0.228 506 S C 1.543 176.217 174.600 0.124 0.000 1.027 506 S CA 1.710 60.020 58.200 0.183 0.000 0.991 506 S CB -0.574 62.737 63.200 0.186 0.000 0.823 506 S HN 0.446 nan 8.310 nan 0.000 0.469 507 H N 2.893 121.876 119.070 -0.145 0.000 2.326 507 H HA 0.167 4.736 4.556 0.022 0.000 0.301 507 H C -0.590 174.513 175.328 -0.376 0.000 1.081 507 H CA 1.555 57.352 56.048 -0.420 0.000 1.334 507 H CB -1.752 27.521 29.762 -0.815 0.000 1.385 507 H HN 0.385 nan 8.280 nan 0.000 0.504 508 P HA -0.209 nan 4.420 nan 0.000 0.216 508 P C 1.485 178.968 177.300 0.306 0.000 1.157 508 P CA 1.881 65.130 63.100 0.249 0.000 0.880 508 P CB 0.057 31.934 31.700 0.295 0.000 0.791 509 R N -0.536 120.096 120.500 0.220 0.000 2.075 509 R HA -0.122 4.231 4.340 0.022 0.000 0.232 509 R C 2.199 178.631 176.300 0.220 0.000 1.126 509 R CA 1.136 57.373 56.100 0.227 0.000 0.963 509 R CB -1.085 29.310 30.300 0.158 0.000 0.858 509 R HN 0.058 nan 8.270 nan 0.000 0.435 510 L N 0.504 121.796 121.223 0.116 0.000 2.042 510 L HA -0.149 4.204 4.340 0.022 0.000 0.210 510 L C 1.984 178.921 176.870 0.112 0.000 1.076 510 L CA 1.768 56.644 54.840 0.058 0.000 0.749 510 L CB -0.716 41.302 42.059 -0.068 0.000 0.893 510 L HN 0.252 nan 8.230 nan 0.000 0.432 511 F N -0.773 119.216 119.950 0.064 0.000 2.075 511 F HA -0.290 4.251 4.527 0.022 0.000 0.297 511 F C 2.340 178.141 175.800 0.003 0.000 1.113 511 F CA 2.198 60.216 58.000 0.029 0.000 1.218 511 F CB -0.609 38.441 39.000 0.082 0.000 0.984 511 F HN 0.389 nan 8.300 nan 0.000 0.472 512 W N 1.467 122.762 121.300 -0.008 0.000 2.317 512 W HA -0.266 4.407 4.660 0.022 0.000 0.318 512 W C 1.836 178.235 176.519 -0.200 0.000 1.227 512 W CA 1.974 59.257 57.345 -0.104 0.000 1.269 512 W CB -0.812 28.676 29.460 0.047 0.000 1.155 512 W HN 0.095 nan 8.180 nan 0.000 0.484 513 L N 1.149 122.295 121.223 -0.129 0.000 2.275 513 L HA -0.182 4.172 4.340 0.022 0.000 0.215 513 L C 2.390 179.068 176.870 -0.319 0.000 1.119 513 L CA 1.289 55.984 54.840 -0.242 0.000 0.790 513 L CB -0.815 41.232 42.059 -0.020 0.000 0.919 513 L HN -0.128 nan 8.230 nan 0.000 0.443 514 S N -1.336 114.167 115.700 -0.328 0.000 2.562 514 S HA 0.019 4.502 4.470 0.022 0.000 0.221 514 S C 0.728 175.048 174.600 -0.468 0.000 0.975 514 S CA 0.212 58.214 58.200 -0.330 0.000 0.918 514 S CB -0.061 62.982 63.200 -0.261 0.000 0.772 514 S HN 0.312 nan 8.310 nan 0.000 0.531 515 Q N 2.227 121.639 119.800 -0.647 0.000 2.260 515 Q HA 0.283 4.636 4.340 0.022 0.000 0.242 515 Q C 0.679 176.286 176.000 -0.656 0.000 0.932 515 Q CA -0.119 55.265 55.803 -0.698 0.000 0.891 515 Q CB 0.425 28.667 28.738 -0.826 0.000 1.222 515 Q HN 0.431 nan 8.270 nan 0.000 0.453 516 T N -1.615 112.508 114.554 -0.718 0.000 2.748 516 T HA 0.122 4.485 4.350 0.022 0.000 0.304 516 T C -1.719 172.512 174.700 -0.782 0.000 1.041 516 T CA -1.189 60.439 62.100 -0.785 0.000 1.033 516 T CB 0.160 68.278 68.868 -1.250 0.000 0.995 516 T HN 0.238 nan 8.240 nan 0.000 0.536 517 P HA -0.016 nan 4.420 nan 0.000 0.216 517 P C 1.433 178.514 177.300 -0.366 0.000 1.153 517 P CA 1.045 63.914 63.100 -0.385 0.000 0.848 517 P CB -0.258 31.330 31.700 -0.187 0.000 0.787 518 F N -0.241 119.521 119.950 -0.313 0.000 2.259 518 F HA 0.042 4.582 4.527 0.022 0.000 0.298 518 F C 1.827 177.272 175.800 -0.592 0.000 1.088 518 F CA 0.854 58.614 58.000 -0.400 0.000 1.358 518 F CB -1.436 37.318 39.000 -0.410 0.000 1.040 518 F HN -0.106 nan 8.300 nan 0.000 0.505 519 E N 0.494 120.147 120.200 -0.912 0.000 2.106 519 E HA -0.189 4.174 4.350 0.022 0.000 0.192 519 E C 2.234 178.648 176.600 -0.309 0.000 0.984 519 E CA 1.243 57.307 56.400 -0.560 0.000 0.806 519 E CB -0.200 29.123 29.700 -0.628 0.000 0.750 519 E HN 0.619 nan 8.360 nan 0.000 0.458 520 Q N 0.176 119.716 119.800 -0.434 0.000 2.084 520 Q HA -0.201 4.152 4.340 0.022 0.000 0.202 520 Q C 2.245 178.289 176.000 0.073 0.000 0.978 520 Q CA 1.351 56.936 55.803 -0.364 0.000 0.844 520 Q CB -0.124 28.134 28.738 -0.800 0.000 0.898 520 Q HN 0.024 nan 8.270 nan 0.000 0.426 521 R N 0.287 120.810 120.500 0.037 0.000 2.081 521 R HA -0.160 4.194 4.340 0.022 0.000 0.235 521 R C 1.731 178.230 176.300 0.332 0.000 1.131 521 R CA 1.833 58.050 56.100 0.196 0.000 0.960 521 R CB -0.393 30.010 30.300 0.172 0.000 0.856 521 R HN 0.446 nan 8.270 nan 0.000 0.436 522 H N -0.596 118.572 119.070 0.163 0.000 2.387 522 H HA -0.083 4.486 4.556 0.022 0.000 0.299 522 H C 2.066 177.515 175.328 0.202 0.000 1.099 522 H CA 1.395 57.554 56.048 0.185 0.000 1.315 522 H CB -0.033 29.843 29.762 0.189 0.000 1.380 522 H HN 0.221 nan 8.280 nan 0.000 0.513 523 I N 0.089 120.885 120.570 0.377 0.000 2.202 523 I HA -0.242 3.941 4.170 0.022 0.000 0.242 523 I C 2.385 178.802 176.117 0.500 0.000 1.091 523 I CA 0.687 62.242 61.300 0.425 0.000 1.368 523 I CB -0.131 38.208 38.000 0.564 0.000 1.058 523 I HN 0.060 nan 8.210 nan 0.000 0.410 524 V N 0.956 121.149 119.914 0.466 0.000 2.287 524 V HA -0.323 3.811 4.120 0.022 0.000 0.248 524 V C 2.084 178.353 176.094 0.292 0.000 1.053 524 V CA 2.153 64.671 62.300 0.362 0.000 1.027 524 V CB -0.685 31.309 31.823 0.284 0.000 0.646 524 V HN 0.416 nan 8.190 nan 0.000 0.447 525 D N 0.462 121.016 120.400 0.257 0.000 2.123 525 D HA -0.119 4.534 4.640 0.022 0.000 0.196 525 D C 2.160 178.537 176.300 0.129 0.000 0.992 525 D CA 1.619 55.734 54.000 0.191 0.000 0.833 525 D CB -0.680 40.232 40.800 0.186 0.000 0.954 525 D HN 0.480 nan 8.370 nan 0.000 0.455 526 G N 0.123 108.981 108.800 0.096 0.000 2.433 526 G HA2 -0.255 3.718 3.960 0.022 0.000 0.216 526 G HA3 -0.255 3.718 3.960 0.022 0.000 0.216 526 G C 1.473 176.382 174.900 0.016 0.000 1.186 526 G CA 0.269 45.338 45.100 -0.050 0.000 0.779 526 G HN 0.154 nan 8.290 nan 0.000 0.543 527 F N 1.910 121.904 119.950 0.073 0.000 2.091 527 F HA -0.132 4.409 4.527 0.022 0.000 0.299 527 F C 3.204 178.923 175.800 -0.135 0.000 1.103 527 F CA 1.727 59.706 58.000 -0.035 0.000 1.228 527 F CB -0.506 38.489 39.000 -0.009 0.000 0.984 527 F HN 0.095 nan 8.300 nan 0.000 0.477 528 S N -0.074 115.715 115.700 0.148 0.000 2.356 528 S HA -0.225 4.258 4.470 0.022 0.000 0.223 528 S C 1.873 176.475 174.600 0.003 0.000 1.032 528 S CA 1.370 59.600 58.200 0.050 0.000 1.005 528 S CB -0.909 62.346 63.200 0.091 0.000 0.867 528 S HN 0.399 nan 8.310 nan 0.000 0.449 529 F N 2.636 122.538 119.950 -0.080 0.000 2.069 529 F HA -0.169 4.371 4.527 0.022 0.000 0.298 529 F C 2.397 178.123 175.800 -0.122 0.000 1.113 529 F CA 1.739 59.676 58.000 -0.105 0.000 1.214 529 F CB -0.349 38.510 39.000 -0.235 0.000 0.978 529 F HN 0.151 nan 8.300 nan 0.000 0.474 530 E N 0.593 120.729 120.200 -0.106 0.000 2.058 530 E HA -0.233 4.130 4.350 0.022 0.000 0.194 530 E C 2.353 178.720 176.600 -0.388 0.000 0.997 530 E CA 1.769 58.076 56.400 -0.156 0.000 0.801 530 E CB -0.573 29.223 29.700 0.160 0.000 0.746 530 E HN 0.491 nan 8.360 nan 0.000 0.450 531 L N 1.409 122.329 121.223 -0.505 0.000 2.191 531 L HA -0.151 4.202 4.340 0.022 0.000 0.212 531 L C 2.749 179.438 176.870 -0.302 0.000 1.103 531 L CA 1.158 55.694 54.840 -0.507 0.000 0.769 531 L CB -0.517 41.273 42.059 -0.449 0.000 0.908 531 L HN 0.158 nan 8.230 nan 0.000 0.438 532 S N -0.538 114.996 115.700 -0.278 0.000 2.442 532 S HA -0.129 4.354 4.470 0.022 0.000 0.236 532 S C 1.772 176.239 174.600 -0.221 0.000 1.007 532 S CA 0.697 58.763 58.200 -0.223 0.000 0.965 532 S CB -0.140 62.932 63.200 -0.214 0.000 0.773 532 S HN 0.331 nan 8.310 nan 0.000 0.504 533 K N 1.094 121.333 120.400 -0.268 0.000 2.393 533 K HA 0.302 4.635 4.320 0.022 0.000 0.193 533 K C -0.020 176.567 176.600 -0.021 0.000 1.026 533 K CA 0.014 56.214 56.287 -0.145 0.000 1.064 533 K CB 0.078 32.484 32.500 -0.156 0.000 0.833 533 K HN 0.314 nan 8.250 nan 0.000 0.521 534 V N 2.443 122.324 119.914 -0.054 0.000 2.439 534 V HA -0.022 4.111 4.120 0.022 0.000 0.271 534 V C 1.761 177.841 176.094 -0.022 0.000 1.040 534 V CA -0.003 62.297 62.300 0.000 0.000 1.002 534 V CB 1.210 32.999 31.823 -0.056 0.000 1.000 534 V HN -0.103 nan 8.190 nan 0.000 0.477 535 V N 5.185 125.111 119.914 0.020 0.000 2.453 535 V HA -0.046 4.087 4.120 0.022 0.000 0.247 535 V C 1.360 177.446 176.094 -0.013 0.000 1.048 535 V CA 1.259 63.568 62.300 0.015 0.000 1.049 535 V CB -0.486 31.366 31.823 0.048 0.000 0.672 535 V HN 0.747 nan 8.190 nan 0.000 0.457 536 R N 0.882 121.351 120.500 -0.051 0.000 2.272 536 R HA 0.178 4.531 4.340 0.022 0.000 0.334 536 R C -1.639 174.557 176.300 -0.173 0.000 1.117 536 R CA -1.459 54.588 56.100 -0.088 0.000 0.966 536 R CB 0.623 30.811 30.300 -0.187 0.000 1.049 536 R HN 0.256 nan 8.270 nan 0.000 0.477 537 P HA -0.235 nan 4.420 nan 0.000 0.216 537 P C 0.792 178.067 177.300 -0.043 0.000 1.150 537 P CA 1.327 64.406 63.100 -0.036 0.000 0.843 537 P CB -0.029 31.686 31.700 0.025 0.000 0.787 538 Y N -1.382 118.919 120.300 0.001 0.000 2.333 538 Y HA -0.081 4.483 4.550 0.022 0.000 0.290 538 Y C 1.964 177.871 175.900 0.011 0.000 1.144 538 Y CA 0.711 58.813 58.100 0.003 0.000 1.228 538 Y CB -1.715 36.747 38.460 0.004 0.000 0.985 538 Y HN -0.102 nan 8.280 nan 0.000 0.542 539 I N 0.866 121.002 120.570 -0.724 0.000 2.252 539 I HA -0.252 3.931 4.170 0.022 0.000 0.245 539 I C 2.543 178.572 176.117 -0.147 0.000 1.102 539 I CA 1.375 62.435 61.300 -0.399 0.000 1.385 539 I CB -0.423 37.340 38.000 -0.395 0.000 1.064 539 I HN 0.196 nan 8.210 nan 0.000 0.414 540 R N 0.906 121.312 120.500 -0.156 0.000 2.083 540 R HA -0.212 4.142 4.340 0.022 0.000 0.237 540 R C 2.160 178.412 176.300 -0.079 0.000 1.137 540 R CA 1.737 57.759 56.100 -0.131 0.000 0.951 540 R CB -0.481 29.742 30.300 -0.128 0.000 0.851 540 R HN 0.478 nan 8.270 nan 0.000 0.434 541 E N 0.382 120.559 120.200 -0.040 0.000 2.051 541 E HA -0.174 4.189 4.350 0.022 0.000 0.192 541 E C 2.158 178.766 176.600 0.013 0.000 0.991 541 E CA 1.069 57.466 56.400 -0.005 0.000 0.799 541 E CB -0.073 29.648 29.700 0.034 0.000 0.748 541 E HN 0.291 nan 8.360 nan 0.000 0.449 542 R N 0.385 120.908 120.500 0.038 0.000 2.096 542 R HA -0.105 4.249 4.340 0.022 0.000 0.235 542 R C 2.385 178.713 176.300 0.047 0.000 1.127 542 R CA 1.074 57.208 56.100 0.058 0.000 0.968 542 R CB -0.221 30.132 30.300 0.088 0.000 0.861 542 R HN 0.069 nan 8.270 nan 0.000 0.440 543 V N 0.220 120.155 119.914 0.035 0.000 2.379 543 V HA -0.175 3.958 4.120 0.022 0.000 0.245 543 V C 2.300 178.383 176.094 -0.018 0.000 1.044 543 V CA 1.347 63.682 62.300 0.059 0.000 1.036 543 V CB -0.281 31.591 31.823 0.082 0.000 0.664 543 V HN 0.100 nan 8.190 nan 0.000 0.453 544 V N 0.806 120.683 119.914 -0.061 0.000 2.332 544 V HA -0.346 3.787 4.120 0.022 0.000 0.248 544 V C 2.327 178.387 176.094 -0.057 0.000 1.055 544 V CA 2.590 64.833 62.300 -0.096 0.000 1.038 544 V CB -0.721 31.049 31.823 -0.088 0.000 0.651 544 V HN 0.676 nan 8.190 nan 0.000 0.450 545 D N -0.930 119.469 120.400 -0.002 0.000 2.123 545 D HA -0.203 4.450 4.640 0.022 0.000 0.196 545 D C 2.260 178.644 176.300 0.139 0.000 0.992 545 D CA 1.140 55.172 54.000 0.052 0.000 0.833 545 D CB -0.021 40.825 40.800 0.078 0.000 0.954 545 D HN 0.322 nan 8.370 nan 0.000 0.455 546 Q N -0.113 119.742 119.800 0.092 0.000 2.084 546 Q HA -0.101 4.252 4.340 0.022 0.000 0.202 546 Q C 2.569 178.607 176.000 0.063 0.000 0.978 546 Q CA 0.773 56.637 55.803 0.101 0.000 0.844 546 Q CB -0.371 28.442 28.738 0.126 0.000 0.898 546 Q HN 0.467 nan 8.270 nan 0.000 0.426 547 L N 0.029 121.224 121.223 -0.047 0.000 2.131 547 L HA -0.129 4.225 4.340 0.022 0.000 0.210 547 L C 2.317 179.077 176.870 -0.183 0.000 1.092 547 L CA 0.949 55.686 54.840 -0.172 0.000 0.759 547 L CB -0.615 41.235 42.059 -0.349 0.000 0.903 547 L HN 0.092 nan 8.230 nan 0.000 0.435 548 A N -0.869 121.865 122.820 -0.145 0.000 2.121 548 A HA -0.182 4.151 4.320 0.022 0.000 0.218 548 A C 1.741 179.156 177.584 -0.282 0.000 1.154 548 A CA 1.112 53.031 52.037 -0.197 0.000 0.679 548 A CB -0.686 18.207 19.000 -0.179 0.000 0.795 548 A HN 0.433 nan 8.150 nan 0.000 0.458 549 H N -1.243 117.632 119.070 -0.324 0.000 2.551 549 H HA 0.262 4.831 4.556 0.022 0.000 0.266 549 H C 1.536 176.608 175.328 -0.427 0.000 0.977 549 H CA 0.995 56.726 56.048 -0.528 0.000 1.163 549 H CB 0.104 29.163 29.762 -1.172 0.000 1.381 549 H HN 0.502 nan 8.280 nan 0.000 0.581 550 I N -1.311 119.172 120.570 -0.145 0.000 2.899 550 I HA 0.103 4.286 4.170 0.022 0.000 0.257 550 I C -0.130 175.913 176.117 -0.123 0.000 1.115 550 I CA 0.381 61.652 61.300 -0.049 0.000 1.451 550 I CB 0.720 38.718 38.000 -0.003 0.000 1.251 550 I HN 0.095 nan 8.210 nan 0.000 0.456 551 D N -0.934 119.322 120.400 -0.239 0.000 2.878 551 D HA 0.177 4.830 4.640 0.022 0.000 0.211 551 D C 0.200 176.331 176.300 -0.282 0.000 1.271 551 D CA -0.428 53.410 54.000 -0.269 0.000 0.845 551 D CB 1.335 41.862 40.800 -0.456 0.000 1.679 551 D HN -0.193 nan 8.370 nan 0.000 0.536 552 L N 2.474 123.592 121.223 -0.175 0.000 2.093 552 L HA -0.034 4.319 4.340 0.022 0.000 0.208 552 L C 1.780 178.568 176.870 -0.137 0.000 1.085 552 L CA 1.791 56.543 54.840 -0.146 0.000 0.755 552 L CB -1.056 40.948 42.059 -0.092 0.000 0.904 552 L HN 0.657 nan 8.230 nan 0.000 0.435 553 T N 0.274 114.769 114.554 -0.098 0.000 2.708 553 T HA -0.202 4.161 4.350 0.022 0.000 0.266 553 T C 1.988 176.615 174.700 -0.122 0.000 1.037 553 T CA 1.021 63.106 62.100 -0.026 0.000 1.146 553 T CB -0.279 68.670 68.868 0.136 0.000 0.865 553 T HN 0.213 nan 8.240 nan 0.000 0.435 554 L N 0.886 121.859 121.223 -0.417 0.000 1.989 554 L HA -0.188 4.166 4.340 0.022 0.000 0.211 554 L C 2.795 179.432 176.870 -0.388 0.000 1.071 554 L CA 2.158 56.596 54.840 -0.670 0.000 0.749 554 L CB -0.923 40.392 42.059 -1.239 0.000 0.890 554 L HN 0.312 nan 8.230 nan 0.000 0.431 555 A N -0.547 122.063 122.820 -0.350 0.000 1.883 555 A HA -0.286 4.047 4.320 0.022 0.000 0.217 555 A C 2.040 179.523 177.584 -0.168 0.000 1.186 555 A CA 1.866 53.748 52.037 -0.258 0.000 0.624 555 A CB -0.625 18.243 19.000 -0.220 0.000 0.822 555 A HN 0.656 nan 8.150 nan 0.000 0.444 556 Q N -0.730 118.993 119.800 -0.128 0.000 2.084 556 Q HA -0.118 4.236 4.340 0.022 0.000 0.202 556 Q C 2.416 178.386 176.000 -0.050 0.000 0.978 556 Q CA 1.433 57.191 55.803 -0.075 0.000 0.844 556 Q CB -0.399 28.308 28.738 -0.051 0.000 0.898 556 Q HN 0.691 nan 8.270 nan 0.000 0.426 557 A N 0.285 123.081 122.820 -0.040 0.000 1.930 557 A HA -0.115 4.218 4.320 0.022 0.000 0.217 557 A C 2.310 179.894 177.584 -0.001 0.000 1.175 557 A CA 1.203 53.244 52.037 0.007 0.000 0.627 557 A CB -0.511 18.524 19.000 0.059 0.000 0.815 557 A HN 0.205 nan 8.150 nan 0.000 0.443 558 V N -0.259 119.626 119.914 -0.048 0.000 2.379 558 V HA -0.178 3.955 4.120 0.022 0.000 0.245 558 V C 3.052 179.111 176.094 -0.059 0.000 1.044 558 V CA 1.702 63.970 62.300 -0.053 0.000 1.036 558 V CB -1.178 30.563 31.823 -0.136 0.000 0.664 558 V HN 0.598 nan 8.190 nan 0.000 0.453 559 A N 0.304 123.079 122.820 -0.075 0.000 1.883 559 A HA -0.322 4.011 4.320 0.022 0.000 0.217 559 A C 2.317 179.881 177.584 -0.034 0.000 1.186 559 A CA 2.488 54.489 52.037 -0.060 0.000 0.624 559 A CB -0.559 18.404 19.000 -0.062 0.000 0.822 559 A HN 0.566 nan 8.150 nan 0.000 0.444 560 K N -0.417 119.970 120.400 -0.021 0.000 2.063 560 K HA -0.193 4.140 4.320 0.022 0.000 0.208 560 K C 1.481 178.085 176.600 0.006 0.000 1.048 560 K CA 1.724 58.010 56.287 -0.003 0.000 0.928 560 K CB -0.232 32.273 32.500 0.007 0.000 0.713 560 K HN 0.426 nan 8.250 nan 0.000 0.442 561 N N 0.569 119.276 118.700 0.011 0.000 2.453 561 N HA -0.087 4.667 4.740 0.022 0.000 0.183 561 N C 1.107 176.620 175.510 0.004 0.000 1.041 561 N CA 0.877 53.941 53.050 0.023 0.000 0.900 561 N CB 0.114 38.626 38.487 0.042 0.000 0.961 561 N HN 0.296 nan 8.380 nan 0.000 0.443 562 L N -0.837 120.376 121.223 -0.016 0.000 2.728 562 L HA 0.286 4.639 4.340 0.022 0.000 0.238 562 L C 0.906 177.762 176.870 -0.022 0.000 1.143 562 L CA -0.176 54.646 54.840 -0.031 0.000 0.937 562 L CB 0.012 42.037 42.059 -0.057 0.000 1.225 562 L HN 0.035 nan 8.230 nan 0.000 0.507 563 G N 1.570 110.363 108.800 -0.012 0.000 2.249 563 G HA2 -0.290 3.683 3.960 0.022 0.000 0.273 563 G HA3 -0.290 3.683 3.960 0.022 0.000 0.273 563 G C 0.035 174.928 174.900 -0.012 0.000 1.036 563 G CA 0.183 45.279 45.100 -0.007 0.000 0.824 563 G HN 0.341 nan 8.290 nan 0.000 0.504 564 I N -0.198 120.361 120.570 -0.019 0.000 2.460 564 I HA 0.423 4.606 4.170 0.022 0.000 0.298 564 I C 0.274 176.378 176.117 -0.023 0.000 0.989 564 I CA -0.711 60.576 61.300 -0.022 0.000 1.173 564 I CB 1.666 39.646 38.000 -0.032 0.000 1.338 564 I HN 0.084 nan 8.210 nan 0.000 0.456 565 E N 5.780 125.969 120.200 -0.019 0.000 2.151 565 E HA 0.454 4.817 4.350 0.022 0.000 0.275 565 E C -1.039 175.545 176.600 -0.026 0.000 0.936 565 E CA -0.689 55.699 56.400 -0.021 0.000 0.777 565 E CB 1.872 31.563 29.700 -0.015 0.000 1.108 565 E HN 0.398 nan 8.360 nan 0.000 0.401 566 L N 2.681 123.883 121.223 -0.035 0.000 2.439 566 L HA 0.152 4.505 4.340 0.022 0.000 0.269 566 L C 1.087 177.936 176.870 -0.035 0.000 1.179 566 L CA -0.264 54.551 54.840 -0.042 0.000 0.828 566 L CB 0.220 42.244 42.059 -0.057 0.000 1.106 566 L HN 0.645 nan 8.230 nan 0.000 0.467 567 T N -2.619 111.914 114.554 -0.034 0.000 2.788 567 T HA 0.077 4.440 4.350 0.022 0.000 0.287 567 T C 0.731 175.409 174.700 -0.036 0.000 1.007 567 T CA -0.785 61.298 62.100 -0.029 0.000 1.005 567 T CB 1.025 69.879 68.868 -0.024 0.000 1.012 567 T HN 0.504 nan 8.240 nan 0.000 0.530 568 D N 0.239 120.621 120.400 -0.031 0.000 2.178 568 D HA -0.070 4.583 4.640 0.022 0.000 0.202 568 D C 1.612 177.886 176.300 -0.043 0.000 0.974 568 D CA 0.973 54.953 54.000 -0.034 0.000 0.841 568 D CB -0.235 40.550 40.800 -0.025 0.000 0.953 568 D HN 0.566 nan 8.370 nan 0.000 0.478 569 D N 0.630 121.004 120.400 -0.042 0.000 2.144 569 D HA -0.106 4.548 4.640 0.022 0.000 0.200 569 D C 2.106 178.356 176.300 -0.084 0.000 0.978 569 D CA 0.697 54.665 54.000 -0.052 0.000 0.833 569 D CB -0.128 40.648 40.800 -0.039 0.000 0.961 569 D HN 0.335 nan 8.370 nan 0.000 0.470 570 Q N -0.051 119.698 119.800 -0.086 0.000 2.079 570 Q HA -0.034 4.320 4.340 0.022 0.000 0.200 570 Q C 2.408 178.329 176.000 -0.131 0.000 0.974 570 Q CA 0.617 56.345 55.803 -0.124 0.000 0.840 570 Q CB -0.080 28.601 28.738 -0.094 0.000 0.898 570 Q HN 0.300 nan 8.270 nan 0.000 0.430 571 L N 0.880 122.047 121.223 -0.093 0.000 2.353 571 L HA -0.149 4.205 4.340 0.022 0.000 0.220 571 L C 1.147 177.967 176.870 -0.084 0.000 1.133 571 L CA 0.527 55.317 54.840 -0.083 0.000 0.798 571 L CB -0.127 41.897 42.059 -0.058 0.000 0.922 571 L HN 0.250 nan 8.230 nan 0.000 0.445 572 N N -0.457 118.190 118.700 -0.089 0.000 2.187 572 N HA 0.246 5.000 4.740 0.022 0.000 0.212 572 N C 0.321 175.768 175.510 -0.106 0.000 1.152 572 N CA -0.025 52.977 53.050 -0.080 0.000 0.872 572 N CB 0.745 39.197 38.487 -0.058 0.000 1.025 572 N HN 0.202 nan 8.380 nan 0.000 0.514 573 I N 1.421 121.894 120.570 -0.163 0.000 2.683 573 I HA -0.093 4.091 4.170 0.022 0.000 0.286 573 I C 1.213 177.233 176.117 -0.162 0.000 1.175 573 I CA 0.531 61.698 61.300 -0.222 0.000 1.429 573 I CB 0.394 38.128 38.000 -0.443 0.000 1.371 573 I HN -0.111 nan 8.210 nan 0.000 0.569 574 T N 7.807 122.295 114.554 -0.110 0.000 2.884 574 T HA 0.248 4.611 4.350 0.022 0.000 0.298 574 T C -2.132 172.530 174.700 -0.064 0.000 0.998 574 T CA -1.316 60.745 62.100 -0.065 0.000 1.124 574 T CB 0.583 69.434 68.868 -0.029 0.000 0.931 574 T HN 0.330 nan 8.240 nan 0.000 0.531 575 P HA 0.261 nan 4.420 nan 0.000 0.269 575 P C -2.493 174.823 177.300 0.026 0.000 1.215 575 P CA -1.316 61.773 63.100 -0.020 0.000 0.780 575 P CB -0.437 31.261 31.700 -0.003 0.000 0.898 576 P HA 0.238 nan 4.420 nan 0.000 0.272 576 P C -2.485 174.871 177.300 0.093 0.000 1.223 576 P CA -1.353 61.816 63.100 0.116 0.000 0.784 576 P CB -0.848 30.966 31.700 0.191 0.000 0.923 577 P HA 0.048 nan 4.420 nan 0.000 0.270 577 P C -0.060 177.290 177.300 0.083 0.000 1.227 577 P CA 0.278 63.425 63.100 0.078 0.000 0.788 577 P CB 0.193 31.941 31.700 0.081 0.000 0.926 578 D N -0.367 120.075 120.400 0.070 0.000 2.354 578 D HA 0.035 4.688 4.640 0.022 0.000 0.238 578 D C -0.116 176.235 176.300 0.084 0.000 1.250 578 D CA 0.141 54.180 54.000 0.065 0.000 0.911 578 D CB 0.339 41.171 40.800 0.054 0.000 1.163 578 D HN -0.026 nan 8.370 nan 0.000 0.456 579 V N 2.126 122.083 119.914 0.071 0.000 2.339 579 V HA 0.045 4.178 4.120 0.022 0.000 0.261 579 V C 0.247 176.437 176.094 0.159 0.000 1.058 579 V CA -0.385 61.988 62.300 0.121 0.000 0.897 579 V CB -0.443 31.367 31.823 -0.021 0.000 1.052 579 V HN 0.590 nan 8.190 nan 0.000 0.480 580 N N 4.563 123.367 118.700 0.173 0.000 2.714 580 N HA -0.233 4.521 4.740 0.022 0.000 0.252 580 N C 1.197 176.763 175.510 0.093 0.000 1.014 580 N CA 0.994 54.125 53.050 0.134 0.000 0.735 580 N CB -0.875 37.730 38.487 0.197 0.000 0.924 580 N HN 1.244 nan 8.380 nan 0.000 0.540 581 G N -2.421 106.422 108.800 0.072 0.000 2.234 581 G HA2 -0.331 3.642 3.960 0.022 0.000 0.260 581 G HA3 -0.331 3.642 3.960 0.022 0.000 0.260 581 G C 0.002 174.932 174.900 0.050 0.000 0.987 581 G CA 0.261 45.392 45.100 0.053 0.000 0.625 581 G HN 0.333 nan 8.290 nan 0.000 0.532 582 L N 0.743 122.001 121.223 0.058 0.000 2.360 582 L HA 0.520 4.873 4.340 0.022 0.000 0.276 582 L C 1.308 178.196 176.870 0.031 0.000 1.121 582 L CA 0.622 55.488 54.840 0.044 0.000 0.845 582 L CB 1.394 43.483 42.059 0.049 0.000 1.143 582 L HN 0.204 nan 8.230 nan 0.000 0.452 583 K N 2.938 123.350 120.400 0.021 0.000 2.373 583 K HA 0.168 4.501 4.320 0.022 0.000 0.202 583 K C -0.513 176.086 176.600 -0.002 0.000 1.025 583 K CA 0.034 56.330 56.287 0.016 0.000 1.115 583 K CB 0.371 32.881 32.500 0.016 0.000 0.858 583 K HN 0.681 nan 8.250 nan 0.000 0.525 584 K N -0.700 119.695 120.400 -0.009 0.000 2.774 584 K HA 0.146 4.479 4.320 0.022 0.000 0.283 584 K C -2.309 174.280 176.600 -0.019 0.000 1.050 584 K CA -0.933 55.333 56.287 -0.035 0.000 0.872 584 K CB 1.106 33.567 32.500 -0.065 0.000 1.434 584 K HN -0.213 nan 8.250 nan 0.000 0.372 585 D N 2.735 123.119 120.400 -0.026 0.000 2.375 585 D HA 0.281 4.934 4.640 0.022 0.000 0.241 585 D C -2.063 174.230 176.300 -0.012 0.000 1.361 585 D CA -1.993 52.011 54.000 0.007 0.000 0.995 585 D CB 2.072 42.900 40.800 0.047 0.000 1.312 585 D HN 0.324 nan 8.370 nan 0.000 0.576 586 P HA -0.094 nan 4.420 nan 0.000 0.225 586 P C 1.245 178.546 177.300 0.001 0.000 1.148 586 P CA 0.657 63.735 63.100 -0.037 0.000 0.779 586 P CB 0.094 31.775 31.700 -0.031 0.000 0.780 587 S N -0.588 115.146 115.700 0.056 0.000 2.474 587 S HA -0.065 4.419 4.470 0.022 0.000 0.235 587 S C 1.787 176.485 174.600 0.163 0.000 0.997 587 S CA 0.678 58.948 58.200 0.117 0.000 0.949 587 S CB -1.487 61.807 63.200 0.157 0.000 0.766 587 S HN 0.137 nan 8.310 nan 0.000 0.517 588 L N 1.266 122.555 121.223 0.111 0.000 2.478 588 L HA 0.174 4.527 4.340 0.022 0.000 0.223 588 L C 1.548 178.349 176.870 -0.116 0.000 1.140 588 L CA 0.210 55.120 54.840 0.117 0.000 0.842 588 L CB -0.403 41.722 42.059 0.109 0.000 0.953 588 L HN 0.331 nan 8.230 nan 0.000 0.452 589 S N -0.511 115.094 115.700 -0.159 0.000 2.610 589 S HA 0.300 4.783 4.470 0.022 0.000 0.273 589 S C 1.049 175.546 174.600 -0.171 0.000 1.274 589 S CA -0.626 57.424 58.200 -0.250 0.000 1.023 589 S CB 1.380 64.427 63.200 -0.256 0.000 0.962 589 S HN 0.148 nan 8.310 nan 0.000 0.523 590 L N 2.749 123.790 121.223 -0.304 0.000 2.131 590 L HA 0.056 4.409 4.340 0.022 0.000 0.206 590 L C 0.918 177.506 176.870 -0.469 0.000 1.087 590 L CA 1.056 55.604 54.840 -0.486 0.000 0.767 590 L CB -0.259 41.179 42.059 -1.035 0.000 0.917 590 L HN 0.754 nan 8.230 nan 0.000 0.441 591 Y N -2.097 118.205 120.300 0.004 0.000 2.426 591 Y HA 0.344 4.908 4.550 0.022 0.000 0.249 591 Y C 2.156 178.077 175.900 0.036 0.000 1.103 591 Y CA -0.175 57.974 58.100 0.082 0.000 1.256 591 Y CB -0.482 38.066 38.460 0.147 0.000 1.208 591 Y HN -0.038 nan 8.280 nan 0.000 0.519 592 A N 0.576 123.418 122.820 0.037 0.000 1.917 592 A HA -0.102 4.231 4.320 0.022 0.000 0.219 592 A C 0.902 178.517 177.584 0.052 0.000 1.182 592 A CA 1.307 53.341 52.037 -0.005 0.000 0.633 592 A CB -0.513 18.431 19.000 -0.092 0.000 0.819 592 A HN 0.148 nan 8.150 nan 0.000 0.448 593 I N 1.217 121.825 120.570 0.063 0.000 2.330 593 I HA 0.269 4.452 4.170 0.022 0.000 0.286 593 I C -2.485 173.698 176.117 0.110 0.000 1.025 593 I CA -3.092 58.253 61.300 0.075 0.000 1.197 593 I CB 0.350 38.384 38.000 0.058 0.000 1.358 593 I HN 0.034 nan 8.210 nan 0.000 0.467 594 P HA 0.021 nan 4.420 nan 0.000 0.263 594 P C -0.056 177.313 177.300 0.115 0.000 1.168 594 P CA 0.508 63.694 63.100 0.144 0.000 0.759 594 P CB 0.583 32.355 31.700 0.119 0.000 0.782 595 D N 0.652 121.127 120.400 0.125 0.000 2.969 595 D HA 0.080 4.733 4.640 0.022 0.000 0.317 595 D C 0.262 176.619 176.300 0.096 0.000 1.650 595 D CA -0.432 53.626 54.000 0.097 0.000 0.789 595 D CB -0.560 40.293 40.800 0.090 0.000 1.277 595 D HN 0.337 nan 8.370 nan 0.000 0.463 596 G N 0.304 109.169 108.800 0.108 0.000 2.378 596 G HA2 0.376 4.349 3.960 0.022 0.000 0.255 596 G HA3 0.376 4.349 3.960 0.022 0.000 0.255 596 G C -0.727 174.211 174.900 0.064 0.000 1.270 596 G CA -0.044 45.117 45.100 0.101 0.000 0.876 596 G HN 0.154 nan 8.290 nan 0.000 0.521 597 D N 1.965 122.395 120.400 0.050 0.000 2.620 597 D HA 0.179 4.833 4.640 0.022 0.000 0.252 597 D C 0.591 176.903 176.300 0.021 0.000 1.207 597 D CA -0.644 53.372 54.000 0.026 0.000 0.884 597 D CB 2.042 42.850 40.800 0.014 0.000 1.262 597 D HN 0.056 nan 8.370 nan 0.000 0.552 598 V N 3.962 123.882 119.914 0.011 0.000 3.306 598 V HA 0.031 4.164 4.120 0.022 0.000 0.264 598 V C 1.190 177.267 176.094 -0.028 0.000 1.149 598 V CA 0.632 62.933 62.300 0.002 0.000 1.143 598 V CB -0.379 31.442 31.823 -0.003 0.000 0.767 598 V HN 0.431 nan 8.190 nan 0.000 0.476 599 K N 0.213 120.588 120.400 -0.042 0.000 2.412 599 K HA 0.307 4.640 4.320 0.022 0.000 0.284 599 K C 1.149 177.706 176.600 -0.072 0.000 1.046 599 K CA 0.893 57.132 56.287 -0.079 0.000 0.999 599 K CB 0.245 32.704 32.500 -0.068 0.000 0.941 599 K HN 0.383 nan 8.250 nan 0.000 0.474 600 G N 3.392 112.114 108.800 -0.129 0.000 2.195 600 G HA2 -0.209 3.764 3.960 0.022 0.000 0.246 600 G HA3 -0.209 3.764 3.960 0.022 0.000 0.246 600 G C 0.157 175.097 174.900 0.066 0.000 0.984 600 G CA -0.300 44.796 45.100 -0.007 0.000 0.633 600 G HN 0.551 nan 8.290 nan 0.000 0.525 601 R N -0.197 120.312 120.500 0.015 0.000 2.738 601 R HA 0.688 5.042 4.340 0.022 0.000 0.275 601 R C 0.093 176.451 176.300 0.096 0.000 1.121 601 R CA -0.039 56.104 56.100 0.072 0.000 1.207 601 R CB 0.742 31.078 30.300 0.060 0.000 1.141 601 R HN 0.666 nan 8.270 nan 0.000 0.571 602 V N 0.197 120.186 119.914 0.124 0.000 2.888 602 V HA 0.442 4.575 4.120 0.022 0.000 0.309 602 V C -1.168 174.992 176.094 0.110 0.000 1.114 602 V CA -0.748 61.639 62.300 0.145 0.000 0.940 602 V CB 2.545 34.480 31.823 0.187 0.000 1.021 602 V HN 0.350 nan 8.190 nan 0.000 0.426 603 V N 5.419 125.393 119.914 0.099 0.000 2.495 603 V HA 0.804 4.937 4.120 0.022 0.000 0.298 603 V C 0.431 176.577 176.094 0.087 0.000 1.031 603 V CA -0.215 62.132 62.300 0.078 0.000 0.871 603 V CB 1.684 33.539 31.823 0.053 0.000 0.988 603 V HN 1.168 nan 8.190 nan 0.000 0.432 604 A N 5.987 128.861 122.820 0.091 0.000 2.328 604 A HA 0.784 5.117 4.320 0.022 0.000 0.284 604 A C -0.452 177.135 177.584 0.005 0.000 1.160 604 A CA -0.247 51.833 52.037 0.071 0.000 0.818 604 A CB 0.110 19.188 19.000 0.128 0.000 1.087 604 A HN 0.774 nan 8.150 nan 0.000 0.504 605 I N 3.680 124.247 120.570 -0.004 0.000 2.382 605 I HA 0.192 4.376 4.170 0.022 0.000 0.285 605 I C -0.645 175.468 176.117 -0.007 0.000 1.007 605 I CA -0.223 61.076 61.300 -0.002 0.000 1.142 605 I CB 1.336 39.351 38.000 0.024 0.000 1.289 605 I HN 0.499 nan 8.210 nan 0.000 0.453 606 L N 7.222 128.421 121.223 -0.040 0.000 2.342 606 L HA 0.400 4.753 4.340 0.022 0.000 0.285 606 L C 0.042 176.996 176.870 0.140 0.000 1.095 606 L CA -0.261 54.604 54.840 0.041 0.000 0.843 606 L CB -0.019 41.910 42.059 -0.218 0.000 1.201 606 L HN 0.446 nan 8.230 nan 0.000 0.445 607 L N 3.572 124.935 121.223 0.234 0.000 2.468 607 L HA 0.356 4.709 4.340 0.022 0.000 0.254 607 L C 0.164 177.189 176.870 0.258 0.000 1.171 607 L CA -0.427 54.499 54.840 0.142 0.000 0.809 607 L CB 1.101 43.147 42.059 -0.021 0.000 1.155 607 L HN 0.715 nan 8.230 nan 0.000 0.473 608 N N -2.178 116.570 118.700 0.081 0.000 2.761 608 N HA 0.235 4.988 4.740 0.022 0.000 0.283 608 N C -0.493 174.960 175.510 -0.095 0.000 1.377 608 N CA -0.749 52.389 53.050 0.146 0.000 0.791 608 N CB 0.685 39.265 38.487 0.155 0.000 1.540 608 N HN 0.519 nan 8.380 nan 0.000 0.539 609 D N -1.760 118.628 120.400 -0.020 0.000 2.349 609 D HA 0.003 4.656 4.640 0.022 0.000 0.224 609 D C -0.422 175.836 176.300 -0.071 0.000 1.029 609 D CA 0.614 54.550 54.000 -0.106 0.000 0.879 609 D CB -0.103 40.701 40.800 0.007 0.000 0.906 609 D HN 0.654 nan 8.370 nan 0.000 0.528 610 E N 0.594 120.768 120.200 -0.043 0.000 3.909 610 E HA 0.162 4.525 4.350 0.022 0.000 0.236 610 E C -0.901 175.680 176.600 -0.032 0.000 1.222 610 E CA -0.337 56.042 56.400 -0.034 0.000 1.205 610 E CB 1.697 31.388 29.700 -0.015 0.000 1.249 610 E HN -0.036 nan 8.360 nan 0.000 0.411 611 V N 1.644 121.530 119.914 -0.047 0.000 2.673 611 V HA -0.008 4.125 4.120 0.022 0.000 0.303 611 V C 1.065 177.138 176.094 -0.035 0.000 1.046 611 V CA 0.418 62.696 62.300 -0.036 0.000 1.126 611 V CB 0.612 32.407 31.823 -0.047 0.000 0.934 611 V HN 0.390 nan 8.190 nan 0.000 0.487 612 R N 3.590 124.070 120.500 -0.033 0.000 2.413 612 R HA 0.010 4.363 4.340 0.022 0.000 0.333 612 R C 1.635 177.910 176.300 -0.042 0.000 1.074 612 R CA 0.505 56.582 56.100 -0.039 0.000 0.982 612 R CB 0.228 30.500 30.300 -0.048 0.000 0.981 612 R HN 1.025 nan 8.270 nan 0.000 0.452 613 S N 3.229 118.907 115.700 -0.037 0.000 2.402 613 S HA -0.253 4.230 4.470 0.022 0.000 0.233 613 S C 1.946 176.525 174.600 -0.035 0.000 1.030 613 S CA 1.083 59.263 58.200 -0.034 0.000 1.003 613 S CB -0.120 63.062 63.200 -0.029 0.000 0.813 613 S HN 0.686 nan 8.310 nan 0.000 0.477 614 A N 2.175 124.972 122.820 -0.039 0.000 1.933 614 A HA -0.102 4.231 4.320 0.022 0.000 0.218 614 A C 1.989 179.540 177.584 -0.054 0.000 1.175 614 A CA 1.641 53.653 52.037 -0.041 0.000 0.628 614 A CB -0.839 18.135 19.000 -0.043 0.000 0.814 614 A HN 0.469 nan 8.150 nan 0.000 0.444 615 D N -0.153 120.204 120.400 -0.072 0.000 2.097 615 D HA -0.113 4.541 4.640 0.022 0.000 0.195 615 D C 1.938 178.201 176.300 -0.063 0.000 0.989 615 D CA 0.779 54.717 54.000 -0.103 0.000 0.827 615 D CB -0.358 40.361 40.800 -0.135 0.000 0.966 615 D HN 0.361 nan 8.370 nan 0.000 0.456 616 L N 0.381 121.578 121.223 -0.043 0.000 2.012 616 L HA -0.181 4.172 4.340 0.022 0.000 0.210 616 L C 2.415 179.278 176.870 -0.012 0.000 1.073 616 L CA 0.917 55.744 54.840 -0.021 0.000 0.748 616 L CB -0.250 41.796 42.059 -0.022 0.000 0.891 616 L HN 0.109 nan 8.230 nan 0.000 0.431 617 L N -0.770 120.443 121.223 -0.017 0.000 1.989 617 L HA -0.228 4.125 4.340 0.022 0.000 0.211 617 L C 2.867 179.735 176.870 -0.003 0.000 1.071 617 L CA 1.327 56.162 54.840 -0.009 0.000 0.749 617 L CB -0.889 41.163 42.059 -0.012 0.000 0.890 617 L HN 0.275 nan 8.230 nan 0.000 0.431 618 A N 0.466 123.280 122.820 -0.010 0.000 1.892 618 A HA -0.230 4.103 4.320 0.022 0.000 0.218 618 A C 2.215 179.813 177.584 0.023 0.000 1.188 618 A CA 1.946 53.983 52.037 -0.000 0.000 0.631 618 A CB -0.783 18.205 19.000 -0.020 0.000 0.822 618 A HN 0.363 nan 8.150 nan 0.000 0.447 619 I N -0.517 120.067 120.570 0.024 0.000 2.113 619 I HA -0.263 3.921 4.170 0.022 0.000 0.238 619 I C 2.449 178.592 176.117 0.043 0.000 1.070 619 I CA 1.368 62.702 61.300 0.057 0.000 1.332 619 I CB -0.418 37.617 38.000 0.058 0.000 1.044 619 I HN 0.286 nan 8.210 nan 0.000 0.402 620 L N 0.414 121.654 121.223 0.028 0.000 2.083 620 L HA -0.227 4.126 4.340 0.022 0.000 0.209 620 L C 2.600 179.483 176.870 0.021 0.000 1.083 620 L CA 1.412 56.268 54.840 0.026 0.000 0.752 620 L CB -0.555 41.516 42.059 0.021 0.000 0.899 620 L HN 0.228 nan 8.230 nan 0.000 0.433 621 K N 0.232 120.642 120.400 0.017 0.000 2.057 621 K HA -0.132 4.201 4.320 0.022 0.000 0.206 621 K C 2.180 178.788 176.600 0.012 0.000 1.050 621 K CA 1.156 57.451 56.287 0.012 0.000 0.935 621 K CB -0.058 32.448 32.500 0.009 0.000 0.715 621 K HN 0.255 nan 8.250 nan 0.000 0.439 622 A N 1.089 123.922 122.820 0.020 0.000 1.933 622 A HA -0.116 4.217 4.320 0.022 0.000 0.218 622 A C 2.046 179.635 177.584 0.009 0.000 1.175 622 A CA 1.174 53.223 52.037 0.020 0.000 0.628 622 A CB -0.537 18.486 19.000 0.039 0.000 0.814 622 A HN 0.282 nan 8.150 nan 0.000 0.444 623 L N -0.868 120.361 121.223 0.011 0.000 2.027 623 L HA -0.156 4.197 4.340 0.022 0.000 0.206 623 L C 2.680 179.532 176.870 -0.031 0.000 1.074 623 L CA 1.461 56.296 54.840 -0.007 0.000 0.745 623 L CB -0.494 41.569 42.059 0.007 0.000 0.898 623 L HN 0.298 nan 8.230 nan 0.000 0.433 624 K N 0.785 121.176 120.400 -0.015 0.000 2.063 624 K HA -0.183 4.150 4.320 0.022 0.000 0.208 624 K C 2.045 178.628 176.600 -0.029 0.000 1.048 624 K CA 1.659 57.934 56.287 -0.020 0.000 0.928 624 K CB -0.196 32.306 32.500 0.003 0.000 0.713 624 K HN 0.279 nan 8.250 nan 0.000 0.442 625 A N 1.232 124.041 122.820 -0.018 0.000 1.978 625 A HA -0.126 4.207 4.320 0.022 0.000 0.220 625 A C 1.657 179.224 177.584 -0.029 0.000 1.170 625 A CA 1.461 53.487 52.037 -0.017 0.000 0.636 625 A CB -0.107 18.889 19.000 -0.007 0.000 0.810 625 A HN 0.178 nan 8.150 nan 0.000 0.448 626 K N -1.416 118.961 120.400 -0.040 0.000 2.372 626 K HA 0.235 4.568 4.320 0.022 0.000 0.200 626 K C 0.926 177.475 176.600 -0.085 0.000 1.022 626 K CA 0.602 56.859 56.287 -0.049 0.000 1.125 626 K CB -0.028 32.449 32.500 -0.038 0.000 0.855 626 K HN 0.757 nan 8.250 nan 0.000 0.524 627 G N 1.536 110.267 108.800 -0.115 0.000 2.176 627 G HA2 -0.231 3.742 3.960 0.022 0.000 0.252 627 G HA3 -0.231 3.742 3.960 0.022 0.000 0.252 627 G C -0.005 174.678 174.900 -0.362 0.000 1.024 627 G CA 0.176 45.155 45.100 -0.201 0.000 0.755 627 G HN 0.118 nan 8.290 nan 0.000 0.507 628 V N 1.050 120.805 119.914 -0.265 0.000 2.383 628 V HA 0.446 4.579 4.120 0.022 0.000 0.275 628 V C 0.828 176.782 176.094 -0.233 0.000 1.036 628 V CA -0.751 61.405 62.300 -0.241 0.000 0.889 628 V CB 0.861 32.630 31.823 -0.090 0.000 0.985 628 V HN 0.462 nan 8.190 nan 0.000 0.459 629 H N 2.077 121.160 119.070 0.021 0.000 2.544 629 H HA 0.752 5.321 4.556 0.022 0.000 0.365 629 H C 0.281 175.629 175.328 0.034 0.000 1.268 629 H CA 0.203 56.267 56.048 0.026 0.000 1.400 629 H CB 1.136 30.915 29.762 0.029 0.000 1.538 629 H HN 0.841 nan 8.280 nan 0.000 0.597 630 A N 0.843 123.772 122.820 0.182 0.000 2.515 630 A HA 0.587 4.920 4.320 0.022 0.000 0.296 630 A C -1.249 176.392 177.584 0.095 0.000 1.094 630 A CA -1.048 51.056 52.037 0.111 0.000 0.718 630 A CB 1.366 20.412 19.000 0.077 0.000 1.307 630 A HN 0.789 nan 8.150 nan 0.000 0.408 631 K N 1.620 122.069 120.400 0.080 0.000 2.541 631 K HA 0.655 4.988 4.320 0.022 0.000 0.250 631 K C -1.632 174.997 176.600 0.048 0.000 0.950 631 K CA -0.470 55.856 56.287 0.066 0.000 0.805 631 K CB 1.405 33.953 32.500 0.079 0.000 1.166 631 K HN 0.473 nan 8.250 nan 0.000 0.430 632 L N 4.332 125.574 121.223 0.033 0.000 2.283 632 L HA 0.295 4.648 4.340 0.022 0.000 0.287 632 L C -0.735 176.143 176.870 0.014 0.000 1.073 632 L CA -0.970 53.882 54.840 0.019 0.000 0.822 632 L CB 0.194 42.255 42.059 0.005 0.000 1.186 632 L HN 0.482 nan 8.230 nan 0.000 0.436 633 L N 4.471 125.706 121.223 0.021 0.000 2.334 633 L HA 0.594 4.947 4.340 0.022 0.000 0.273 633 L C -0.446 176.377 176.870 -0.078 0.000 1.013 633 L CA -0.293 54.531 54.840 -0.026 0.000 0.816 633 L CB 1.510 43.584 42.059 0.026 0.000 1.278 633 L HN 0.324 nan 8.230 nan 0.000 0.431 634 Y N -0.587 119.344 120.300 -0.615 0.000 2.829 634 Y HA 0.295 4.858 4.550 0.022 0.000 0.322 634 Y C 0.952 176.117 175.900 -1.224 0.000 1.357 634 Y CA -0.615 56.996 58.100 -0.815 0.000 1.081 634 Y CB 1.446 39.724 38.460 -0.302 0.000 1.339 634 Y HN 0.564 nan 8.280 nan 0.000 0.469 635 S N 0.693 115.435 115.700 -1.596 0.000 2.562 635 S HA 0.215 4.698 4.470 0.022 0.000 0.221 635 S C 0.047 174.327 174.600 -0.534 0.000 0.975 635 S CA 0.489 58.138 58.200 -0.919 0.000 0.918 635 S CB -0.261 62.558 63.200 -0.634 0.000 0.772 635 S HN 0.612 nan 8.310 nan 0.000 0.531 636 R N -1.405 118.845 120.500 -0.416 0.000 2.752 636 R HA 0.619 4.972 4.340 0.022 0.000 0.271 636 R C -0.851 175.430 176.300 -0.031 0.000 1.026 636 R CA -1.117 54.895 56.100 -0.146 0.000 0.901 636 R CB 0.468 30.726 30.300 -0.070 0.000 1.243 636 R HN -0.075 nan 8.270 nan 0.000 0.463 637 M N 0.197 119.788 119.600 -0.015 0.000 2.154 637 M HA 0.542 5.035 4.480 0.022 0.000 0.251 637 M C 0.980 177.297 176.300 0.029 0.000 1.200 637 M CA 0.913 56.216 55.300 0.005 0.000 0.967 637 M CB 0.519 33.115 32.600 -0.007 0.000 1.362 637 M HN 1.044 nan 8.290 nan 0.000 0.522 638 G N 0.901 109.711 108.800 0.016 0.000 2.464 638 G HA2 -0.116 3.857 3.960 0.022 0.000 0.216 638 G HA3 -0.116 3.857 3.960 0.022 0.000 0.216 638 G C -0.997 173.903 174.900 0.001 0.000 1.186 638 G CA -0.530 44.578 45.100 0.012 0.000 1.010 638 G HN 0.639 nan 8.290 nan 0.000 0.585 639 E N -1.110 119.083 120.200 -0.011 0.000 2.359 639 E HA 0.654 5.018 4.350 0.022 0.000 0.266 639 E C -0.407 176.141 176.600 -0.088 0.000 0.920 639 E CA -0.630 55.744 56.400 -0.045 0.000 0.788 639 E CB 2.801 32.479 29.700 -0.036 0.000 1.279 639 E HN 1.279 nan 8.360 nan 0.000 0.438 640 V N -2.051 117.776 119.914 -0.144 0.000 2.914 640 V HA 0.694 4.827 4.120 0.022 0.000 0.314 640 V C -0.573 175.444 176.094 -0.129 0.000 1.084 640 V CA -0.711 61.465 62.300 -0.207 0.000 0.963 640 V CB 1.906 33.482 31.823 -0.412 0.000 1.025 640 V HN 0.641 nan 8.190 nan 0.000 0.432 641 T N 3.030 117.520 114.554 -0.107 0.000 2.772 641 T HA 0.761 5.124 4.350 0.022 0.000 0.288 641 T C 0.420 175.078 174.700 -0.069 0.000 0.994 641 T CA 0.290 62.347 62.100 -0.071 0.000 0.951 641 T CB 1.185 70.024 68.868 -0.048 0.000 0.933 641 T HN 1.366 nan 8.240 nan 0.000 0.447 642 A N 2.643 125.427 122.820 -0.061 0.000 2.387 642 A HA 0.258 4.591 4.320 0.022 0.000 0.251 642 A C 1.656 179.216 177.584 -0.039 0.000 1.113 642 A CA -0.148 51.858 52.037 -0.052 0.000 0.794 642 A CB 0.009 18.983 19.000 -0.045 0.000 1.069 642 A HN 0.908 nan 8.150 nan 0.000 0.506 643 D N -0.234 120.145 120.400 -0.034 0.000 2.221 643 D HA -0.193 4.460 4.640 0.022 0.000 0.204 643 D C 0.604 176.889 176.300 -0.024 0.000 0.982 643 D CA 1.627 55.611 54.000 -0.027 0.000 0.857 643 D CB -0.267 40.518 40.800 -0.025 0.000 0.934 643 D HN 0.612 nan 8.370 nan 0.000 0.475 644 D N -1.713 118.673 120.400 -0.024 0.000 2.368 644 D HA 0.210 4.863 4.640 0.022 0.000 0.218 644 D C 1.586 177.874 176.300 -0.020 0.000 1.112 644 D CA 0.329 54.316 54.000 -0.021 0.000 0.834 644 D CB -0.023 40.765 40.800 -0.020 0.000 0.953 644 D HN 0.358 nan 8.370 nan 0.000 0.505 645 G N 0.078 108.865 108.800 -0.023 0.000 2.175 645 G HA2 -0.262 3.712 3.960 0.022 0.000 0.244 645 G HA3 -0.262 3.712 3.960 0.022 0.000 0.244 645 G C 0.394 175.279 174.900 -0.024 0.000 0.982 645 G CA 0.225 45.312 45.100 -0.022 0.000 0.641 645 G HN 0.417 nan 8.290 nan 0.000 0.527 646 T N 1.473 116.011 114.554 -0.026 0.000 2.853 646 T HA 0.411 4.774 4.350 0.022 0.000 0.298 646 T C 0.714 175.394 174.700 -0.033 0.000 0.978 646 T CA 0.101 62.185 62.100 -0.026 0.000 1.152 646 T CB 1.983 70.835 68.868 -0.026 0.000 0.914 646 T HN 0.457 nan 8.240 nan 0.000 0.539 647 V N 5.564 125.461 119.914 -0.030 0.000 2.432 647 V HA 0.203 4.336 4.120 0.022 0.000 0.271 647 V C -0.121 175.950 176.094 -0.038 0.000 1.046 647 V CA -0.669 61.610 62.300 -0.035 0.000 0.945 647 V CB 0.689 32.496 31.823 -0.026 0.000 0.992 647 V HN 0.547 nan 8.190 nan 0.000 0.471 648 L N 9.086 130.277 121.223 -0.054 0.000 2.276 648 L HA 0.511 4.865 4.340 0.022 0.000 0.286 648 L C -2.122 174.716 176.870 -0.053 0.000 1.024 648 L CA -2.455 52.353 54.840 -0.054 0.000 0.826 648 L CB 1.533 43.547 42.059 -0.074 0.000 1.211 648 L HN 0.423 nan 8.230 nan 0.000 0.422 649 P HA 0.219 nan 4.420 nan 0.000 0.276 649 P C -0.303 176.984 177.300 -0.022 0.000 1.235 649 P CA -0.149 62.937 63.100 -0.023 0.000 0.772 649 P CB 0.877 32.570 31.700 -0.011 0.000 0.871 650 I N 2.582 123.142 120.570 -0.018 0.000 2.371 650 I HA 0.187 4.370 4.170 0.022 0.000 0.290 650 I C 1.600 177.715 176.117 -0.002 0.000 1.028 650 I CA -0.362 60.933 61.300 -0.009 0.000 1.345 650 I CB 1.353 39.358 38.000 0.009 0.000 1.407 650 I HN 0.365 nan 8.210 nan 0.000 0.501 651 A N 5.290 128.111 122.820 0.002 0.000 1.903 651 A HA 0.582 4.915 4.320 0.022 0.000 0.213 651 A C 0.972 178.560 177.584 0.007 0.000 1.185 651 A CA 1.182 53.225 52.037 0.009 0.000 0.628 651 A CB 0.052 19.065 19.000 0.021 0.000 0.830 651 A HN 0.807 nan 8.150 nan 0.000 0.446 652 A N -2.043 120.776 122.820 -0.003 0.000 2.564 652 A HA 0.587 4.920 4.320 0.022 0.000 0.291 652 A C -0.010 177.536 177.584 -0.063 0.000 1.102 652 A CA 0.115 52.146 52.037 -0.009 0.000 0.660 652 A CB -0.215 18.802 19.000 0.029 0.000 1.283 652 A HN 0.741 nan 8.150 nan 0.000 0.430 653 T N -1.780 112.728 114.554 -0.075 0.000 2.824 653 T HA 0.561 4.924 4.350 0.022 0.000 0.277 653 T C 0.920 175.578 174.700 -0.069 0.000 0.975 653 T CA 0.060 62.042 62.100 -0.196 0.000 0.966 653 T CB 0.088 68.869 68.868 -0.144 0.000 1.054 653 T HN 0.451 nan 8.240 nan 0.000 0.533 654 F N 0.346 120.326 119.950 0.050 0.000 2.126 654 F HA 0.011 4.552 4.527 0.022 0.000 0.299 654 F C 2.943 178.870 175.800 0.213 0.000 1.096 654 F CA 0.896 58.986 58.000 0.151 0.000 1.255 654 F CB -0.567 38.497 39.000 0.107 0.000 0.997 654 F HN 0.685 nan 8.300 nan 0.000 0.479 655 A N 0.196 123.174 122.820 0.264 0.000 2.016 655 A HA 0.094 4.427 4.320 0.022 0.000 0.217 655 A C 2.399 180.047 177.584 0.106 0.000 1.162 655 A CA 1.245 53.378 52.037 0.160 0.000 0.662 655 A CB -1.304 17.753 19.000 0.094 0.000 0.812 655 A HN 0.382 nan 8.150 nan 0.000 0.450 656 G N -0.683 108.170 108.800 0.088 0.000 2.421 656 G HA2 0.267 4.240 3.960 0.022 0.000 0.217 656 G HA3 0.267 4.240 3.960 0.022 0.000 0.217 656 G C 0.694 175.639 174.900 0.076 0.000 1.143 656 G CA 0.970 46.105 45.100 0.058 0.000 0.784 656 G HN 1.059 nan 8.290 nan 0.000 0.541 657 A N 0.972 123.871 122.820 0.131 0.000 3.159 657 A HA 0.676 5.010 4.320 0.022 0.000 0.330 657 A C -2.585 175.123 177.584 0.207 0.000 1.032 657 A CA -1.139 50.984 52.037 0.143 0.000 0.841 657 A CB 1.127 20.214 19.000 0.145 0.000 1.093 657 A HN 0.133 nan 8.150 nan 0.000 0.478 658 P HA 0.023 nan 4.420 nan 0.000 0.271 658 P C 1.373 178.515 177.300 -0.264 0.000 1.233 658 P CA 0.426 63.464 63.100 -0.103 0.000 0.789 658 P CB 0.760 32.389 31.700 -0.118 0.000 0.951 659 S N 0.974 116.188 115.700 -0.810 0.000 2.420 659 S HA -0.179 4.304 4.470 0.022 0.000 0.237 659 S C 1.837 176.293 174.600 -0.239 0.000 1.023 659 S CA 1.199 59.042 58.200 -0.594 0.000 0.991 659 S CB -1.350 61.384 63.200 -0.777 0.000 0.792 659 S HN 0.370 nan 8.310 nan 0.000 0.488 660 L N 1.678 122.763 121.223 -0.230 0.000 2.081 660 L HA -0.108 4.246 4.340 0.022 0.000 0.212 660 L C 3.034 179.712 176.870 -0.320 0.000 1.080 660 L CA 1.743 56.437 54.840 -0.245 0.000 0.754 660 L CB -1.531 40.357 42.059 -0.285 0.000 0.893 660 L HN 0.642 nan 8.230 nan 0.000 0.433 661 T N -2.968 111.453 114.554 -0.222 0.000 3.148 661 T HA 0.154 4.517 4.350 0.022 0.000 0.253 661 T C 0.462 175.231 174.700 0.115 0.000 1.134 661 T CA 0.252 62.287 62.100 -0.108 0.000 1.051 661 T CB -0.490 68.433 68.868 0.092 0.000 0.959 661 T HN 0.179 nan 8.240 nan 0.000 0.525 662 V N -2.475 117.477 119.914 0.063 0.000 3.103 662 V HA 0.569 4.702 4.120 0.022 0.000 0.318 662 V C -0.069 176.067 176.094 0.071 0.000 1.114 662 V CA -0.955 61.415 62.300 0.118 0.000 1.020 662 V CB 2.113 34.023 31.823 0.145 0.000 1.085 662 V HN 0.038 nan 8.190 nan 0.000 0.446 663 D N 0.896 121.341 120.400 0.075 0.000 2.389 663 D HA 0.511 5.164 4.640 0.022 0.000 0.206 663 D C 0.510 176.793 176.300 -0.028 0.000 1.055 663 D CA 1.336 55.352 54.000 0.026 0.000 0.856 663 D CB 1.546 42.385 40.800 0.065 0.000 0.957 663 D HN 0.975 nan 8.370 nan 0.000 0.509 664 A N 0.170 122.993 122.820 0.004 0.000 2.586 664 A HA 0.531 4.864 4.320 0.022 0.000 0.291 664 A C -1.666 175.934 177.584 0.028 0.000 1.062 664 A CA -0.548 51.479 52.037 -0.017 0.000 0.666 664 A CB 1.469 20.448 19.000 -0.036 0.000 1.281 664 A HN -0.100 nan 8.150 nan 0.000 0.421 665 V N 1.062 120.983 119.914 0.013 0.000 2.577 665 V HA 0.552 4.685 4.120 0.022 0.000 0.303 665 V C -0.751 175.343 176.094 -0.001 0.000 1.042 665 V CA -0.175 62.139 62.300 0.024 0.000 0.872 665 V CB 1.510 33.362 31.823 0.048 0.000 0.998 665 V HN 0.695 nan 8.190 nan 0.000 0.423 666 I N 4.377 124.953 120.570 0.011 0.000 2.433 666 I HA 0.560 4.744 4.170 0.022 0.000 0.292 666 I C -0.793 175.344 176.117 0.034 0.000 1.001 666 I CA -0.949 60.386 61.300 0.059 0.000 1.119 666 I CB 2.239 40.308 38.000 0.115 0.000 1.289 666 I HN 0.294 nan 8.210 nan 0.000 0.438 667 V N 7.563 127.518 119.914 0.067 0.000 2.325 667 V HA 0.329 4.462 4.120 0.022 0.000 0.280 667 V C -2.175 173.971 176.094 0.086 0.000 1.016 667 V CA -1.634 60.690 62.300 0.039 0.000 0.818 667 V CB 1.124 32.941 31.823 -0.011 0.000 1.019 667 V HN 0.558 nan 8.190 nan 0.000 0.434 668 P HA 0.170 nan 4.420 nan 0.000 0.274 668 P C 0.219 177.526 177.300 0.011 0.000 1.237 668 P CA -0.284 62.816 63.100 -0.000 0.000 0.793 668 P CB 1.133 32.825 31.700 -0.013 0.000 0.977 669 C N 1.298 120.579 119.300 -0.031 0.000 2.705 669 C HA 0.628 5.101 4.460 0.022 0.000 0.382 669 C C 1.203 176.189 174.990 -0.005 0.000 1.322 669 C CA 1.798 60.806 59.018 -0.017 0.000 2.290 669 C CB -1.210 26.501 27.740 -0.049 0.000 2.650 669 C HN 0.913 nan 8.230 nan 0.000 0.695 670 G N 2.174 110.976 108.800 0.003 0.000 2.439 670 G HA2 0.036 4.009 3.960 0.022 0.000 0.186 670 G HA3 0.036 4.009 3.960 0.022 0.000 0.186 670 G C -0.832 174.076 174.900 0.014 0.000 1.260 670 G CA -0.147 44.955 45.100 0.004 0.000 1.020 670 G HN 0.955 nan 8.290 nan 0.000 0.470 671 N N 1.402 120.116 118.700 0.023 0.000 2.807 671 N HA 0.166 4.919 4.740 0.022 0.000 0.259 671 N C 1.182 176.724 175.510 0.054 0.000 1.149 671 N CA -0.672 52.396 53.050 0.029 0.000 1.042 671 N CB -0.024 38.481 38.487 0.029 0.000 1.367 671 N HN 0.333 nan 8.380 nan 0.000 0.516 672 I N 2.138 122.731 120.570 0.038 0.000 2.361 672 I HA -0.193 3.990 4.170 0.022 0.000 0.251 672 I C 2.431 178.558 176.117 0.016 0.000 1.133 672 I CA 0.720 62.047 61.300 0.046 0.000 1.413 672 I CB -1.433 36.560 38.000 -0.011 0.000 1.073 672 I HN 0.483 nan 8.210 nan 0.000 0.424 673 A N 0.589 123.405 122.820 -0.006 0.000 2.024 673 A HA -0.274 4.059 4.320 0.022 0.000 0.220 673 A C 2.062 179.668 177.584 0.037 0.000 1.164 673 A CA 1.972 54.003 52.037 -0.009 0.000 0.643 673 A CB -0.707 18.286 19.000 -0.011 0.000 0.806 673 A HN 0.415 nan 8.150 nan 0.000 0.451 674 D N 0.402 120.849 120.400 0.078 0.000 2.158 674 D HA -0.168 4.485 4.640 0.022 0.000 0.197 674 D C 1.504 177.898 176.300 0.156 0.000 0.995 674 D CA 1.856 55.932 54.000 0.127 0.000 0.846 674 D CB -0.177 40.731 40.800 0.181 0.000 0.941 674 D HN 0.663 nan 8.370 nan 0.000 0.456 675 I N -4.206 116.473 120.570 0.182 0.000 4.240 675 I HA 0.489 4.672 4.170 0.022 0.000 0.331 675 I C 1.816 178.060 176.117 0.213 0.000 1.381 675 I CA -0.114 61.319 61.300 0.222 0.000 1.136 675 I CB 0.181 38.364 38.000 0.305 0.000 1.137 675 I HN -0.103 nan 8.210 nan 0.000 0.411 676 A N 1.550 124.415 122.820 0.074 0.000 1.978 676 A HA -0.186 4.147 4.320 0.022 0.000 0.220 676 A C 1.348 178.921 177.584 -0.018 0.000 1.170 676 A CA 2.178 54.149 52.037 -0.110 0.000 0.636 676 A CB -0.525 18.353 19.000 -0.202 0.000 0.810 676 A HN 0.487 nan 8.150 nan 0.000 0.448 677 D N -0.828 119.586 120.400 0.023 0.000 2.424 677 D HA 0.079 4.732 4.640 0.022 0.000 0.220 677 D C -0.081 176.250 176.300 0.052 0.000 1.150 677 D CA -0.204 53.812 54.000 0.027 0.000 0.831 677 D CB -0.072 40.733 40.800 0.007 0.000 0.981 677 D HN 0.323 nan 8.370 nan 0.000 0.500 678 N N 0.596 119.344 118.700 0.081 0.000 2.406 678 N HA 0.076 4.829 4.740 0.022 0.000 0.251 678 N C 1.386 176.937 175.510 0.068 0.000 1.069 678 N CA -0.008 53.091 53.050 0.081 0.000 0.947 678 N CB 1.449 40.003 38.487 0.112 0.000 1.111 678 N HN 0.086 nan 8.380 nan 0.000 0.497 679 G N 3.353 112.191 108.800 0.063 0.000 2.476 679 G HA2 -0.281 3.692 3.960 0.022 0.000 0.218 679 G HA3 -0.281 3.692 3.960 0.022 0.000 0.218 679 G C 0.964 175.915 174.900 0.086 0.000 1.164 679 G CA 0.631 45.770 45.100 0.064 0.000 0.768 679 G HN 0.591 nan 8.290 nan 0.000 0.560 680 D N 0.839 121.297 120.400 0.096 0.000 2.117 680 D HA -0.014 4.639 4.640 0.022 0.000 0.197 680 D C 2.815 179.117 176.300 0.004 0.000 0.987 680 D CA 1.235 55.321 54.000 0.143 0.000 0.829 680 D CB -0.467 40.482 40.800 0.249 0.000 0.961 680 D HN 0.314 nan 8.370 nan 0.000 0.460 681 A N 1.026 123.687 122.820 -0.266 0.000 1.873 681 A HA -0.179 4.154 4.320 0.022 0.000 0.215 681 A C 2.012 179.394 177.584 -0.337 0.000 1.186 681 A CA 1.268 52.891 52.037 -0.690 0.000 0.616 681 A CB -0.490 18.062 19.000 -0.747 0.000 0.823 681 A HN 0.178 nan 8.150 nan 0.000 0.442 682 N N -1.556 117.102 118.700 -0.070 0.000 2.084 682 N HA -0.185 4.568 4.740 0.022 0.000 0.190 682 N C 1.760 177.271 175.510 0.001 0.000 1.030 682 N CA 1.777 54.842 53.050 0.025 0.000 0.849 682 N CB -0.441 38.129 38.487 0.138 0.000 1.012 682 N HN 0.662 nan 8.380 nan 0.000 0.423 683 Y N 0.864 121.135 120.300 -0.047 0.000 2.224 683 Y HA -0.295 4.268 4.550 0.022 0.000 0.289 683 Y C 2.404 178.260 175.900 -0.073 0.000 1.146 683 Y CA 1.291 59.358 58.100 -0.054 0.000 1.182 683 Y CB -0.366 38.067 38.460 -0.046 0.000 0.983 683 Y HN 0.037 nan 8.280 nan 0.000 0.524 684 Y N 0.434 120.616 120.300 -0.197 0.000 2.069 684 Y HA -0.371 4.192 4.550 0.022 0.000 0.278 684 Y C 2.129 177.837 175.900 -0.320 0.000 1.175 684 Y CA 2.368 60.318 58.100 -0.250 0.000 1.134 684 Y CB -0.622 37.676 38.460 -0.269 0.000 0.965 684 Y HN 0.121 nan 8.280 nan 0.000 0.498 685 L N -1.235 119.929 121.223 -0.098 0.000 2.093 685 L HA -0.252 4.101 4.340 0.022 0.000 0.208 685 L C 2.443 179.199 176.870 -0.189 0.000 1.085 685 L CA 1.359 56.117 54.840 -0.137 0.000 0.755 685 L CB -0.518 41.424 42.059 -0.195 0.000 0.904 685 L HN 0.293 nan 8.230 nan 0.000 0.435 686 M N -0.530 118.895 119.600 -0.292 0.000 2.132 686 M HA -0.214 4.279 4.480 0.022 0.000 0.263 686 M C 2.300 178.335 176.300 -0.441 0.000 1.065 686 M CA 1.688 56.803 55.300 -0.308 0.000 1.122 686 M CB -0.278 32.141 32.600 -0.302 0.000 1.365 686 M HN 0.195 nan 8.290 nan 0.000 0.411 687 E N 0.335 120.075 120.200 -0.767 0.000 2.051 687 E HA -0.205 4.158 4.350 0.022 0.000 0.192 687 E C 1.944 178.194 176.600 -0.584 0.000 0.991 687 E CA 1.394 57.325 56.400 -0.781 0.000 0.799 687 E CB -0.012 29.205 29.700 -0.805 0.000 0.748 687 E HN 0.487 nan 8.360 nan 0.000 0.449 688 A N 0.076 122.673 122.820 -0.371 0.000 1.933 688 A HA -0.193 4.140 4.320 0.022 0.000 0.218 688 A C 2.007 179.489 177.584 -0.169 0.000 1.175 688 A CA 1.368 53.278 52.037 -0.212 0.000 0.628 688 A CB -0.810 18.128 19.000 -0.104 0.000 0.814 688 A HN 0.562 nan 8.150 nan 0.000 0.444 689 Y N 0.424 120.569 120.300 -0.258 0.000 2.200 689 Y HA -0.156 4.407 4.550 0.022 0.000 0.290 689 Y C 2.389 178.161 175.900 -0.213 0.000 1.137 689 Y CA 2.221 60.199 58.100 -0.204 0.000 1.163 689 Y CB -0.166 38.191 38.460 -0.171 0.000 0.988 689 Y HN 0.287 nan 8.280 nan 0.000 0.518 690 K N -0.421 119.858 120.400 -0.201 0.000 2.063 690 K HA -0.229 4.104 4.320 0.022 0.000 0.208 690 K C 0.893 177.348 176.600 -0.241 0.000 1.048 690 K CA 2.064 58.191 56.287 -0.266 0.000 0.928 690 K CB -0.460 31.808 32.500 -0.387 0.000 0.713 690 K HN 0.564 nan 8.250 nan 0.000 0.442 691 H N 0.593 119.550 119.070 -0.189 0.000 2.592 691 H HA 0.173 4.742 4.556 0.022 0.000 0.291 691 H C -0.005 175.168 175.328 -0.259 0.000 1.052 691 H CA 0.085 56.017 56.048 -0.192 0.000 1.175 691 H CB -0.052 29.594 29.762 -0.194 0.000 1.378 691 H HN 0.151 nan 8.280 nan 0.000 0.576 692 L N -0.347 120.734 121.223 -0.236 0.000 4.232 692 L HA -0.296 4.057 4.340 0.022 0.000 0.415 692 L C -0.224 176.386 176.870 -0.434 0.000 1.168 692 L CA 0.634 55.243 54.840 -0.386 0.000 0.966 692 L CB -1.687 40.128 42.059 -0.406 0.000 2.052 692 L HN 0.342 nan 8.230 nan 0.000 0.887 693 K N 0.890 121.099 120.400 -0.318 0.000 2.218 693 K HA 0.412 4.745 4.320 0.022 0.000 0.276 693 K C -2.084 174.379 176.600 -0.228 0.000 1.022 693 K CA -1.756 54.366 56.287 -0.275 0.000 0.946 693 K CB 0.563 32.957 32.500 -0.176 0.000 1.000 693 K HN -0.197 nan 8.250 nan 0.000 0.468 694 P HA 0.030 nan 4.420 nan 0.000 0.265 694 P C -0.742 176.494 177.300 -0.107 0.000 1.193 694 P CA 0.423 63.423 63.100 -0.167 0.000 0.765 694 P CB 0.444 32.046 31.700 -0.163 0.000 0.823 695 I N 1.792 122.313 120.570 -0.081 0.000 2.545 695 I HA 0.627 4.810 4.170 0.022 0.000 0.292 695 I C -0.427 175.648 176.117 -0.070 0.000 1.040 695 I CA -0.811 60.462 61.300 -0.045 0.000 1.068 695 I CB 2.226 40.230 38.000 0.006 0.000 1.251 695 I HN 0.259 nan 8.210 nan 0.000 0.424 696 A N 7.559 130.347 122.820 -0.054 0.000 2.353 696 A HA 0.825 5.158 4.320 0.022 0.000 0.299 696 A C -1.161 176.521 177.584 0.163 0.000 1.089 696 A CA -0.414 51.571 52.037 -0.085 0.000 0.736 696 A CB 0.946 19.755 19.000 -0.317 0.000 1.195 696 A HN 0.655 nan 8.150 nan 0.000 0.447 697 L N 2.583 123.947 121.223 0.235 0.000 2.319 697 L HA 0.676 5.029 4.340 0.022 0.000 0.281 697 L C 0.421 177.498 176.870 0.346 0.000 1.005 697 L CA -0.523 54.474 54.840 0.261 0.000 0.828 697 L CB 1.762 43.924 42.059 0.171 0.000 1.227 697 L HN 0.785 nan 8.230 nan 0.000 0.415 698 A N 2.479 125.418 122.820 0.198 0.000 2.306 698 A HA 0.788 5.122 4.320 0.022 0.000 0.314 698 A C 0.850 178.424 177.584 -0.018 0.000 1.164 698 A CA 0.397 52.405 52.037 -0.049 0.000 0.822 698 A CB 0.996 19.775 19.000 -0.368 0.000 1.130 698 A HN 0.959 nan 8.150 nan 0.000 0.496 699 G N 1.820 110.598 108.800 -0.036 0.000 2.685 699 G HA2 -0.369 3.604 3.960 0.022 0.000 0.329 699 G HA3 -0.369 3.604 3.960 0.022 0.000 0.329 699 G C 0.543 175.446 174.900 0.006 0.000 1.271 699 G CA 0.892 45.979 45.100 -0.021 0.000 1.003 699 G HN 0.732 nan 8.290 nan 0.000 0.549 700 D N 1.581 121.980 120.400 -0.002 0.000 2.378 700 D HA 0.200 4.853 4.640 0.022 0.000 0.222 700 D C 2.453 178.759 176.300 0.010 0.000 0.980 700 D CA 1.246 55.241 54.000 -0.008 0.000 0.907 700 D CB -0.548 40.239 40.800 -0.021 0.000 0.899 700 D HN 0.718 nan 8.370 nan 0.000 0.527 701 A N 0.476 123.340 122.820 0.074 0.000 2.216 701 A HA -0.105 4.229 4.320 0.022 0.000 0.214 701 A C 2.018 179.719 177.584 0.195 0.000 1.160 701 A CA 0.404 52.559 52.037 0.197 0.000 0.725 701 A CB -0.316 18.814 19.000 0.216 0.000 0.784 701 A HN 0.098 nan 8.150 nan 0.000 0.472 702 R N -0.241 120.315 120.500 0.093 0.000 2.285 702 R HA -0.055 4.298 4.340 0.022 0.000 0.213 702 R C 1.613 177.916 176.300 0.005 0.000 1.068 702 R CA 1.066 57.205 56.100 0.065 0.000 1.004 702 R CB -0.136 30.191 30.300 0.045 0.000 0.873 702 R HN 0.505 nan 8.270 nan 0.000 0.467 703 K N -0.174 120.181 120.400 -0.075 0.000 2.147 703 K HA -0.116 4.218 4.320 0.022 0.000 0.205 703 K C 1.282 177.736 176.600 -0.243 0.000 1.049 703 K CA 1.253 57.424 56.287 -0.193 0.000 0.936 703 K CB -0.074 32.239 32.500 -0.312 0.000 0.722 703 K HN 0.142 nan 8.250 nan 0.000 0.446 704 F N 1.571 121.496 119.950 -0.041 0.000 2.546 704 F HA -0.106 4.434 4.527 0.022 0.000 0.298 704 F C 1.846 177.597 175.800 -0.082 0.000 1.120 704 F CA 0.805 58.768 58.000 -0.061 0.000 1.456 704 F CB -0.030 38.933 39.000 -0.061 0.000 1.088 704 F HN -0.047 nan 8.300 nan 0.000 0.572 705 K N 0.261 120.701 120.400 0.066 0.000 2.103 705 K HA -0.194 4.139 4.320 0.022 0.000 0.207 705 K C 2.319 178.890 176.600 -0.048 0.000 1.048 705 K CA 1.275 57.558 56.287 -0.007 0.000 0.930 705 K CB -0.394 32.101 32.500 -0.009 0.000 0.716 705 K HN 0.263 nan 8.250 nan 0.000 0.444 706 A N 0.878 123.672 122.820 -0.043 0.000 2.015 706 A HA -0.113 4.220 4.320 0.022 0.000 0.219 706 A C 2.122 179.676 177.584 -0.049 0.000 1.163 706 A CA 1.675 53.680 52.037 -0.052 0.000 0.646 706 A CB -0.707 18.260 19.000 -0.055 0.000 0.806 706 A HN 0.237 nan 8.150 nan 0.000 0.448 707 T N 1.032 115.577 114.554 -0.015 0.000 2.652 707 T HA -0.147 4.216 4.350 0.022 0.000 0.267 707 T C 1.523 176.170 174.700 -0.088 0.000 1.039 707 T CA 1.724 63.825 62.100 0.001 0.000 1.153 707 T CB -0.527 68.411 68.868 0.117 0.000 0.863 707 T HN 0.736 nan 8.240 nan 0.000 0.428 708 I N -1.758 118.706 120.570 -0.176 0.000 3.855 708 I HA 0.343 4.526 4.170 0.022 0.000 0.327 708 I C -0.352 175.507 176.117 -0.430 0.000 1.359 708 I CA -0.390 60.663 61.300 -0.412 0.000 1.142 708 I CB -0.215 37.375 38.000 -0.684 0.000 1.041 708 I HN -0.053 nan 8.210 nan 0.000 0.403 709 K N 1.776 122.046 120.400 -0.216 0.000 3.150 709 K HA -0.125 4.208 4.320 0.022 0.000 0.267 709 K C -0.275 176.246 176.600 -0.131 0.000 1.028 709 K CA 0.508 56.711 56.287 -0.141 0.000 0.753 709 K CB -1.547 30.892 32.500 -0.102 0.000 1.288 709 K HN 0.437 nan 8.250 nan 0.000 0.473 710 I N 0.507 121.002 120.570 -0.126 0.000 2.396 710 I HA 0.257 4.440 4.170 0.022 0.000 0.292 710 I C 1.436 177.534 176.117 -0.033 0.000 0.999 710 I CA -0.774 60.484 61.300 -0.069 0.000 1.310 710 I CB 0.925 38.891 38.000 -0.057 0.000 1.404 710 I HN 0.241 nan 8.210 nan 0.000 0.496 711 A N 4.697 127.510 122.820 -0.012 0.000 2.448 711 A HA 0.084 4.418 4.320 0.022 0.000 0.239 711 A C 1.038 178.619 177.584 -0.005 0.000 1.080 711 A CA -0.116 51.917 52.037 -0.006 0.000 0.779 711 A CB 0.092 19.094 19.000 0.003 0.000 1.026 711 A HN 0.765 nan 8.150 nan 0.000 0.499 712 D N -0.149 120.248 120.400 -0.004 0.000 2.104 712 D HA -0.194 4.459 4.640 0.022 0.000 0.194 712 D C 1.935 178.237 176.300 0.003 0.000 0.994 712 D CA 1.833 55.831 54.000 -0.002 0.000 0.830 712 D CB -0.239 40.559 40.800 -0.003 0.000 0.959 712 D HN 0.755 nan 8.370 nan 0.000 0.452 713 Q N 0.776 120.578 119.800 0.004 0.000 2.197 713 Q HA -0.089 4.264 4.340 0.022 0.000 0.207 713 Q C 0.712 176.717 176.000 0.009 0.000 0.984 713 Q CA 1.602 57.408 55.803 0.007 0.000 0.869 713 Q CB -0.018 28.724 28.738 0.006 0.000 0.906 713 Q HN 0.258 nan 8.270 nan 0.000 0.426 714 G N 0.643 109.448 108.800 0.009 0.000 2.603 714 G HA2 -0.174 3.800 3.960 0.022 0.000 0.686 714 G HA3 -0.174 3.800 3.960 0.022 0.000 0.686 714 G C -1.320 173.587 174.900 0.013 0.000 1.286 714 G CA -0.179 44.928 45.100 0.011 0.000 0.871 714 G HN 0.546 nan 8.290 nan 0.000 0.568 715 E N -0.871 119.338 120.200 0.015 0.000 2.366 715 E HA 0.587 4.951 4.350 0.022 0.000 0.278 715 E C -0.537 176.064 176.600 0.002 0.000 0.923 715 E CA -0.931 55.480 56.400 0.018 0.000 0.761 715 E CB 1.677 31.403 29.700 0.043 0.000 1.231 715 E HN 0.558 nan 8.360 nan 0.000 0.443 716 E N 0.555 120.748 120.200 -0.012 0.000 2.480 716 E HA 0.198 4.562 4.350 0.022 0.000 0.258 716 E C 0.506 177.072 176.600 -0.058 0.000 0.984 716 E CA 1.682 58.061 56.400 -0.036 0.000 0.930 716 E CB 0.603 30.280 29.700 -0.039 0.000 0.936 716 E HN 0.866 nan 8.360 nan 0.000 0.466 717 G N 3.585 112.338 108.800 -0.080 0.000 2.231 717 G HA2 -0.178 3.795 3.960 0.022 0.000 0.206 717 G HA3 -0.178 3.795 3.960 0.022 0.000 0.206 717 G C 0.016 174.868 174.900 -0.080 0.000 0.996 717 G CA -0.529 44.503 45.100 -0.113 0.000 0.645 717 G HN 0.437 nan 8.290 nan 0.000 0.498 718 I N 2.186 122.731 120.570 -0.043 0.000 2.382 718 I HA 0.500 4.683 4.170 0.022 0.000 0.286 718 I C 0.345 176.417 176.117 -0.075 0.000 1.002 718 I CA -1.159 60.123 61.300 -0.029 0.000 1.135 718 I CB 1.362 39.376 38.000 0.023 0.000 1.288 718 I HN -0.109 nan 8.210 nan 0.000 0.448 719 V N 7.369 127.197 119.914 -0.144 0.000 2.432 719 V HA 0.383 4.516 4.120 0.022 0.000 0.275 719 V C 0.206 176.218 176.094 -0.138 0.000 1.043 719 V CA -0.445 61.708 62.300 -0.245 0.000 0.925 719 V CB 1.229 32.739 31.823 -0.521 0.000 0.985 719 V HN 0.864 nan 8.190 nan 0.000 0.466 720 E N 4.372 124.570 120.200 -0.004 0.000 2.331 720 E HA 0.887 5.250 4.350 0.022 0.000 0.275 720 E C -0.973 175.763 176.600 0.226 0.000 0.895 720 E CA -0.961 55.538 56.400 0.166 0.000 0.753 720 E CB 2.627 32.384 29.700 0.095 0.000 1.216 720 E HN 0.798 nan 8.360 nan 0.000 0.434 721 A N 1.886 124.877 122.820 0.284 0.000 2.544 721 A HA 0.326 4.660 4.320 0.022 0.000 0.291 721 A C -0.597 177.030 177.584 0.071 0.000 1.055 721 A CA -0.637 51.511 52.037 0.185 0.000 0.651 721 A CB 1.076 20.241 19.000 0.275 0.000 1.296 721 A HN 0.608 nan 8.150 nan 0.000 0.431 722 D N 0.507 120.920 120.400 0.021 0.000 2.264 722 D HA 0.062 4.716 4.640 0.022 0.000 0.208 722 D C 0.979 177.231 176.300 -0.080 0.000 0.966 722 D CA 2.171 56.159 54.000 -0.020 0.000 0.864 722 D CB 0.064 40.855 40.800 -0.014 0.000 0.933 722 D HN 0.838 nan 8.370 nan 0.000 0.499 723 S N -1.881 113.731 115.700 -0.146 0.000 2.643 723 S HA 0.612 5.095 4.470 0.022 0.000 0.270 723 S C -0.201 174.075 174.600 -0.541 0.000 1.166 723 S CA -0.505 57.536 58.200 -0.264 0.000 0.815 723 S CB 1.704 64.807 63.200 -0.161 0.000 1.139 723 S HN -0.083 nan 8.310 nan 0.000 0.472 724 A N 0.967 123.400 122.820 -0.645 0.000 2.503 724 A HA 0.344 4.677 4.320 0.022 0.000 0.263 724 A C 0.520 177.953 177.584 -0.252 0.000 1.360 724 A CA 0.174 51.691 52.037 -0.867 0.000 0.969 724 A CB -1.412 17.209 19.000 -0.632 0.000 1.000 724 A HN 0.818 nan 8.150 nan 0.000 0.530 725 D N -1.484 118.831 120.400 -0.142 0.000 2.511 725 D HA 0.495 5.148 4.640 0.022 0.000 0.276 725 D C 1.116 177.445 176.300 0.048 0.000 1.220 725 D CA 0.402 54.385 54.000 -0.028 0.000 1.077 725 D CB -0.012 40.765 40.800 -0.037 0.000 1.126 725 D HN 0.567 nan 8.370 nan 0.000 0.583 726 G N 0.186 109.010 108.800 0.040 0.000 2.672 726 G HA2 -0.350 3.623 3.960 0.022 0.000 0.324 726 G HA3 -0.350 3.623 3.960 0.022 0.000 0.324 726 G C 0.906 175.853 174.900 0.078 0.000 1.286 726 G CA 2.142 47.273 45.100 0.052 0.000 1.004 726 G HN 1.371 nan 8.290 nan 0.000 0.548 727 S N -0.030 115.722 115.700 0.086 0.000 2.631 727 S HA 0.330 4.813 4.470 0.022 0.000 0.217 727 S C 1.796 176.461 174.600 0.109 0.000 0.958 727 S CA 1.012 59.258 58.200 0.077 0.000 0.920 727 S CB -0.043 63.184 63.200 0.045 0.000 0.776 727 S HN 0.889 nan 8.310 nan 0.000 0.517 728 F N 2.552 122.500 119.950 -0.003 0.000 2.065 728 F HA -0.110 4.430 4.527 0.022 0.000 0.298 728 F C 2.204 178.001 175.800 -0.006 0.000 1.112 728 F CA 1.779 59.777 58.000 -0.004 0.000 1.212 728 F CB -0.213 38.786 39.000 -0.002 0.000 0.975 728 F HN 0.187 nan 8.300 nan 0.000 0.476 729 M N -0.049 119.687 119.600 0.227 0.000 2.254 729 M HA -0.148 4.345 4.480 0.022 0.000 0.265 729 M C 1.766 178.071 176.300 0.008 0.000 1.066 729 M CA 1.248 56.611 55.300 0.104 0.000 1.123 729 M CB -1.309 31.373 32.600 0.135 0.000 1.388 729 M HN 0.140 nan 8.290 nan 0.000 0.425 730 D N 0.318 120.727 120.400 0.015 0.000 2.144 730 D HA -0.130 4.524 4.640 0.022 0.000 0.200 730 D C 1.945 178.222 176.300 -0.037 0.000 0.978 730 D CA 1.029 55.026 54.000 -0.006 0.000 0.833 730 D CB -0.047 40.757 40.800 0.006 0.000 0.961 730 D HN 0.474 nan 8.370 nan 0.000 0.470 731 E N 0.372 120.534 120.200 -0.064 0.000 2.047 731 E HA -0.105 4.258 4.350 0.022 0.000 0.191 731 E C 2.118 178.638 176.600 -0.133 0.000 0.987 731 E CA 0.125 56.467 56.400 -0.096 0.000 0.799 731 E CB -0.012 29.613 29.700 -0.126 0.000 0.752 731 E HN 0.124 nan 8.360 nan 0.000 0.449 732 L N 1.036 122.148 121.223 -0.186 0.000 2.046 732 L HA -0.172 4.181 4.340 0.022 0.000 0.208 732 L C 2.027 178.831 176.870 -0.110 0.000 1.077 732 L CA 1.608 56.335 54.840 -0.189 0.000 0.747 732 L CB -0.446 41.476 42.059 -0.228 0.000 0.896 732 L HN 0.240 nan 8.230 nan 0.000 0.432 733 L N -0.689 120.489 121.223 -0.074 0.000 2.217 733 L HA -0.142 4.211 4.340 0.022 0.000 0.211 733 L C 2.376 179.222 176.870 -0.040 0.000 1.107 733 L CA 1.018 55.831 54.840 -0.045 0.000 0.783 733 L CB -0.475 41.568 42.059 -0.026 0.000 0.919 733 L HN 0.225 nan 8.230 nan 0.000 0.442 734 T N -0.014 114.511 114.554 -0.047 0.000 2.857 734 T HA -0.088 4.275 4.350 0.022 0.000 0.266 734 T C 1.940 176.610 174.700 -0.049 0.000 1.048 734 T CA 0.998 63.076 62.100 -0.036 0.000 1.139 734 T CB -0.082 68.765 68.868 -0.036 0.000 0.874 734 T HN 0.181 nan 8.240 nan 0.000 0.455 735 L N 0.311 121.486 121.223 -0.080 0.000 2.056 735 L HA -0.033 4.321 4.340 0.022 0.000 0.207 735 L C 2.672 179.479 176.870 -0.105 0.000 1.078 735 L CA 1.233 56.005 54.840 -0.112 0.000 0.749 735 L CB -0.500 41.473 42.059 -0.143 0.000 0.901 735 L HN 0.290 nan 8.230 nan 0.000 0.433 736 M N -0.763 118.792 119.600 -0.075 0.000 2.159 736 M HA -0.173 4.320 4.480 0.022 0.000 0.263 736 M C 2.459 178.761 176.300 0.004 0.000 1.063 736 M CA 1.691 56.965 55.300 -0.044 0.000 1.110 736 M CB -0.465 32.118 32.600 -0.028 0.000 1.374 736 M HN 0.321 nan 8.290 nan 0.000 0.411 737 A N 0.218 123.042 122.820 0.005 0.000 1.972 737 A HA 0.037 4.370 4.320 0.022 0.000 0.219 737 A C 2.106 179.731 177.584 0.069 0.000 1.169 737 A CA 1.701 53.760 52.037 0.037 0.000 0.635 737 A CB -0.616 18.399 19.000 0.025 0.000 0.810 737 A HN 0.499 nan 8.150 nan 0.000 0.446 738 A N -2.591 120.250 122.820 0.035 0.000 2.307 738 A HA 0.369 4.702 4.320 0.022 0.000 0.218 738 A C 0.891 178.504 177.584 0.049 0.000 1.228 738 A CA 1.169 53.242 52.037 0.061 0.000 0.857 738 A CB -0.537 18.465 19.000 0.003 0.000 0.897 738 A HN 0.924 nan 8.150 nan 0.000 0.495 739 H N -1.141 117.871 119.070 -0.098 0.000 4.891 739 H HA -0.198 4.371 4.556 0.022 0.000 0.059 739 H C 0.048 175.142 175.328 -0.391 0.000 0.587 739 H CA 2.446 58.410 56.048 -0.140 0.000 0.970 739 H CB -0.545 29.243 29.762 0.042 0.000 0.535 739 H HN 0.458 nan 8.280 nan 0.000 0.802 740 R N -0.246 119.676 120.500 -0.963 0.000 2.808 740 R HA 0.590 4.944 4.340 0.022 0.000 0.272 740 R C -0.688 174.756 176.300 -1.427 0.000 0.995 740 R CA -0.313 54.978 56.100 -1.348 0.000 0.917 740 R CB 1.813 31.002 30.300 -1.852 0.000 1.217 740 R HN 0.088 nan 8.270 nan 0.000 0.471 741 V N 2.793 122.126 119.914 -0.969 0.000 2.222 741 V HA 0.084 4.217 4.120 0.022 0.000 0.253 741 V C 0.732 176.468 176.094 -0.597 0.000 1.210 741 V CA -0.376 61.523 62.300 -0.668 0.000 1.079 741 V CB -0.454 31.110 31.823 -0.430 0.000 1.265 741 V HN 0.715 nan 8.190 nan 0.000 0.494 742 W N 1.642 122.666 121.300 -0.459 0.000 2.350 742 W HA -0.210 4.463 4.660 0.022 0.000 0.289 742 W C 2.562 178.886 176.519 -0.325 0.000 1.215 742 W CA 0.948 57.941 57.345 -0.585 0.000 1.236 742 W CB -0.548 28.167 29.460 -1.242 0.000 1.130 742 W HN 0.651 nan 8.180 nan 0.000 0.541 743 S N 0.818 116.489 115.700 -0.049 0.000 2.469 743 S HA -0.193 4.290 4.470 0.022 0.000 0.238 743 S C 1.752 176.324 174.600 -0.047 0.000 0.998 743 S CA 1.103 59.290 58.200 -0.022 0.000 0.957 743 S CB -0.469 62.714 63.200 -0.028 0.000 0.764 743 S HN 0.422 nan 8.310 nan 0.000 0.514 744 R N 0.675 121.105 120.500 -0.117 0.000 2.276 744 R HA 0.219 4.572 4.340 0.022 0.000 0.203 744 R C 1.857 178.097 176.300 -0.101 0.000 1.017 744 R CA 0.446 56.454 56.100 -0.153 0.000 1.010 744 R CB -0.394 29.704 30.300 -0.336 0.000 0.900 744 R HN 0.487 nan 8.270 nan 0.000 0.469 745 I N 1.885 122.435 120.570 -0.034 0.000 2.091 745 I HA -0.286 3.897 4.170 0.022 0.000 0.240 745 I C -0.784 175.363 176.117 0.050 0.000 1.046 745 I CA 1.705 63.030 61.300 0.040 0.000 1.306 745 I CB -1.113 36.959 38.000 0.120 0.000 1.018 745 I HN 0.182 nan 8.210 nan 0.000 0.404 746 P HA -0.155 nan 4.420 nan 0.000 0.218 746 P C 1.202 178.534 177.300 0.052 0.000 1.148 746 P CA 1.447 64.581 63.100 0.056 0.000 0.822 746 P CB -0.034 31.697 31.700 0.052 0.000 0.784 747 K N -0.214 120.212 120.400 0.043 0.000 2.288 747 K HA -0.014 4.319 4.320 0.022 0.000 0.201 747 K C 1.961 178.618 176.600 0.094 0.000 1.048 747 K CA 0.833 57.164 56.287 0.073 0.000 0.956 747 K CB -1.009 31.553 32.500 0.104 0.000 0.746 747 K HN 0.342 nan 8.250 nan 0.000 0.461 748 I N -2.440 118.159 120.570 0.047 0.000 3.030 748 I HA -0.046 4.137 4.170 0.022 0.000 0.270 748 I C 1.351 177.508 176.117 0.066 0.000 1.211 748 I CA 0.815 62.146 61.300 0.051 0.000 1.479 748 I CB -0.007 37.984 38.000 -0.015 0.000 1.105 748 I HN -0.084 nan 8.210 nan 0.000 0.447 749 D N 2.924 123.365 120.400 0.069 0.000 2.204 749 D HA -0.255 4.398 4.640 0.022 0.000 0.189 749 D C 1.693 178.034 176.300 0.068 0.000 1.006 749 D CA 2.815 56.859 54.000 0.073 0.000 0.855 749 D CB -0.010 40.832 40.800 0.070 0.000 0.946 749 D HN 0.616 nan 8.370 nan 0.000 0.448 750 K N 0.734 121.172 120.400 0.064 0.000 2.174 750 K HA 0.002 4.335 4.320 0.022 0.000 0.186 750 K C 0.926 177.561 176.600 0.058 0.000 1.082 750 K CA -0.495 55.826 56.287 0.057 0.000 1.067 750 K CB -0.647 31.884 32.500 0.051 0.000 1.449 750 K HN 0.106 nan 8.250 nan 0.000 0.474 751 I N 2.327 122.930 120.570 0.055 0.000 4.597 751 I HA -0.110 4.073 4.170 0.022 0.000 0.126 751 I C -2.296 173.852 176.117 0.051 0.000 1.125 751 I CA -0.194 61.137 61.300 0.052 0.000 2.678 751 I CB -0.215 37.830 38.000 0.075 0.000 1.753 751 I HN 0.686 nan 8.210 nan 0.000 0.329 752 P HA 0.475 nan 4.420 nan 0.000 0.256 752 P C -0.606 176.754 177.300 0.101 0.000 1.689 752 P CA 0.021 63.159 63.100 0.062 0.000 1.124 752 P CB 0.647 32.377 31.700 0.050 0.000 1.766 753 A N 0.000 122.884 122.820 0.106 0.000 2.254 753 A HA 0.000 4.333 4.320 0.022 0.000 0.244 753 A CA 0.000 52.150 52.037 0.189 0.000 0.836 753 A CB 0.000 19.015 19.000 0.025 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486