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_A 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 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 28 S N 1.802 117.485 115.700 -0.028 0.000 3.864 28 S HA 0.134 4.651 4.470 0.077 0.000 0.350 28 S C 0.421 174.994 174.600 -0.044 0.000 0.583 28 S CA 0.741 58.922 58.200 -0.032 0.000 1.690 28 S CB -1.748 61.437 63.200 -0.027 0.000 1.356 28 S HN 0.493 nan 8.310 nan 0.000 0.468 29 L N -0.520 120.668 121.223 -0.058 0.000 2.256 29 L HA 1.037 5.424 4.340 0.077 0.000 0.261 29 L C 0.346 177.132 176.870 -0.139 0.000 1.022 29 L CA -1.449 53.337 54.840 -0.090 0.000 0.828 29 L CB 0.098 42.111 42.059 -0.078 0.000 1.374 29 L HN 0.441 nan 8.230 nan 0.000 0.436 30 A N 0.507 123.176 122.820 -0.251 0.000 2.536 30 A HA 0.499 4.866 4.320 0.077 0.000 0.234 30 A C -2.035 175.396 177.584 -0.255 0.000 1.076 30 A CA -0.390 51.366 52.037 -0.467 0.000 0.769 30 A CB -1.318 17.076 19.000 -1.010 0.000 1.020 30 A HN 0.761 nan 8.150 nan 0.000 0.508 31 P HA 0.109 nan 4.420 nan 0.000 0.272 31 P C 0.270 177.549 177.300 -0.034 0.000 1.223 31 P CA -0.039 63.029 63.100 -0.055 0.000 0.784 31 P CB 0.838 32.544 31.700 0.011 0.000 0.923 32 E N 1.702 121.894 120.200 -0.014 0.000 2.118 32 E HA -0.241 4.155 4.350 0.077 0.000 0.195 32 E C 1.248 177.866 176.600 0.030 0.000 0.992 32 E CA 1.917 58.318 56.400 0.001 0.000 0.804 32 E CB -0.441 29.258 29.700 -0.000 0.000 0.741 32 E HN 0.524 nan 8.360 nan 0.000 0.458 33 D N -0.926 119.497 120.400 0.038 0.000 2.351 33 D HA -0.052 4.635 4.640 0.077 0.000 0.216 33 D C 1.289 177.638 176.300 0.080 0.000 0.968 33 D CA 1.013 55.042 54.000 0.048 0.000 0.899 33 D CB -0.511 40.312 40.800 0.038 0.000 0.907 33 D HN 0.318 nan 8.370 nan 0.000 0.514 34 G N 0.018 108.907 108.800 0.149 0.000 2.147 34 G HA2 -0.322 3.684 3.960 0.077 0.000 0.244 34 G HA3 -0.322 3.684 3.960 0.077 0.000 0.244 34 G C 0.893 175.889 174.900 0.160 0.000 1.005 34 G CA 0.832 46.070 45.100 0.230 0.000 0.713 34 G HN 0.730 nan 8.290 nan 0.000 0.515 35 S N -0.491 115.313 115.700 0.173 0.000 2.603 35 S HA 0.089 4.605 4.470 0.077 0.000 0.220 35 S C 1.653 176.310 174.600 0.095 0.000 0.967 35 S CA 1.061 59.314 58.200 0.087 0.000 0.920 35 S CB -0.530 62.710 63.200 0.068 0.000 0.773 35 S HN 1.029 nan 8.310 nan 0.000 0.529 36 H N 0.605 119.682 119.070 0.012 0.000 2.470 36 H HA 0.295 4.897 4.556 0.077 0.000 0.289 36 H C 1.123 176.463 175.328 0.020 0.000 1.033 36 H CA 0.229 56.285 56.048 0.013 0.000 1.331 36 H CB -0.033 29.735 29.762 0.011 0.000 1.414 36 H HN 0.330 nan 8.280 nan 0.000 0.545 37 R N 1.858 122.039 120.500 -0.531 0.000 2.393 37 R HA 0.329 4.715 4.340 0.077 0.000 0.310 37 R C -2.797 173.409 176.300 -0.157 0.000 0.968 37 R CA -2.408 53.477 56.100 -0.359 0.000 0.867 37 R CB 0.975 30.969 30.300 -0.510 0.000 1.124 37 R HN 0.093 nan 8.270 nan 0.000 0.450 38 P HA 0.081 nan 4.420 nan 0.000 0.271 38 P C -0.940 176.351 177.300 -0.016 0.000 1.220 38 P CA -0.174 62.915 63.100 -0.019 0.000 0.768 38 P CB 1.134 32.848 31.700 0.023 0.000 0.848 39 A N 3.320 126.136 122.820 -0.006 0.000 2.531 39 A HA 0.350 4.717 4.320 0.077 0.000 0.236 39 A C 0.916 178.509 177.584 0.015 0.000 1.062 39 A CA 0.223 52.260 52.037 0.001 0.000 0.760 39 A CB -0.337 18.666 19.000 0.006 0.000 0.995 39 A HN 0.578 nan 8.150 nan 0.000 0.501 40 A N 2.706 125.535 122.820 0.015 0.000 3.118 40 A HA 0.517 4.884 4.320 0.077 0.000 0.256 40 A C 0.230 177.831 177.584 0.029 0.000 1.667 40 A CA -0.091 51.961 52.037 0.025 0.000 1.338 40 A CB -0.427 18.585 19.000 0.020 0.000 1.127 40 A HN 0.742 nan 8.150 nan 0.000 0.634 41 E N 0.111 120.330 120.200 0.032 0.000 2.430 41 E HA 0.389 4.785 4.350 0.077 0.000 0.279 41 E C -3.152 173.471 176.600 0.038 0.000 1.003 41 E CA -1.999 54.422 56.400 0.035 0.000 0.801 41 E CB 1.518 31.233 29.700 0.026 0.000 1.313 41 E HN 0.033 nan 8.360 nan 0.000 0.459 42 P HA 0.111 nan 4.420 nan 0.000 0.267 42 P C -0.618 176.694 177.300 0.020 0.000 1.209 42 P CA 0.165 63.280 63.100 0.025 0.000 0.763 42 P CB 0.195 31.896 31.700 0.002 0.000 0.816 43 T N 0.957 115.521 114.554 0.017 0.000 2.909 43 T HA 0.622 5.018 4.350 0.077 0.000 0.299 43 T C -2.949 171.738 174.700 -0.022 0.000 1.073 43 T CA -2.704 59.403 62.100 0.012 0.000 0.999 43 T CB 1.674 70.551 68.868 0.015 0.000 1.098 43 T HN 0.078 nan 8.240 nan 0.000 0.477 44 P HA 0.312 nan 4.420 nan 0.000 0.272 44 P C -2.752 174.425 177.300 -0.205 0.000 1.230 44 P CA -1.450 61.533 63.100 -0.195 0.000 0.788 44 P CB -0.963 30.730 31.700 -0.012 0.000 0.949 45 P HA 0.039 nan 4.420 nan 0.000 0.262 45 P C 1.107 178.361 177.300 -0.077 0.000 1.182 45 P CA 1.428 64.427 63.100 -0.168 0.000 0.761 45 P CB -0.273 31.311 31.700 -0.193 0.000 0.795 46 G N 2.724 111.507 108.800 -0.028 0.000 2.225 46 G HA2 -0.347 3.660 3.960 0.077 0.000 0.254 46 G HA3 -0.347 3.660 3.960 0.077 0.000 0.254 46 G C 1.157 176.056 174.900 -0.002 0.000 0.988 46 G CA 0.440 45.535 45.100 -0.007 0.000 0.625 46 G HN 0.671 nan 8.290 nan 0.000 0.527 47 A N -1.010 121.806 122.820 -0.006 0.000 1.929 47 A HA 0.405 4.771 4.320 0.077 0.000 0.216 47 A C 1.359 178.949 177.584 0.009 0.000 1.176 47 A CA 2.014 54.053 52.037 0.003 0.000 0.628 47 A CB -0.011 18.991 19.000 0.003 0.000 0.816 47 A HN 0.514 nan 8.150 nan 0.000 0.444 48 Q N -1.120 118.688 119.800 0.014 0.000 2.456 48 Q HA 0.431 4.817 4.340 0.077 0.000 0.283 48 Q C -2.964 173.052 176.000 0.027 0.000 1.084 48 Q CA -2.171 53.643 55.803 0.019 0.000 0.801 48 Q CB 0.955 29.707 28.738 0.024 0.000 1.434 48 Q HN 0.051 nan 8.270 nan 0.000 0.419 49 P HA 0.015 nan 4.420 nan 0.000 0.268 49 P C -0.200 177.133 177.300 0.055 0.000 1.204 49 P CA 0.155 63.270 63.100 0.025 0.000 0.768 49 P CB 0.225 31.936 31.700 0.018 0.000 0.842 50 T N 0.088 114.677 114.554 0.059 0.000 2.802 50 T HA 0.549 4.946 4.350 0.077 0.000 0.305 50 T C 0.076 174.874 174.700 0.164 0.000 1.053 50 T CA -0.395 61.796 62.100 0.152 0.000 1.058 50 T CB 0.549 69.454 68.868 0.061 0.000 0.988 50 T HN 0.566 nan 8.240 nan 0.000 0.539 51 A N 1.649 124.674 122.820 0.342 0.000 2.602 51 A HA 0.766 5.133 4.320 0.077 0.000 0.290 51 A C -3.088 174.777 177.584 0.467 0.000 1.114 51 A CA -1.986 50.221 52.037 0.283 0.000 0.683 51 A CB 0.495 19.600 19.000 0.175 0.000 1.281 51 A HN 0.653 nan 8.150 nan 0.000 0.416 52 P HA 0.132 nan 4.420 nan 0.000 0.264 52 P C 1.228 178.671 177.300 0.237 0.000 1.183 52 P CA 0.984 64.299 63.100 0.357 0.000 0.763 52 P CB 0.567 32.400 31.700 0.222 0.000 0.807 53 G N 2.447 111.342 108.800 0.158 0.000 2.476 53 G HA2 -0.312 3.695 3.960 0.077 0.000 0.218 53 G HA3 -0.312 3.695 3.960 0.077 0.000 0.218 53 G C 1.551 176.460 174.900 0.015 0.000 1.164 53 G CA 1.188 46.293 45.100 0.010 0.000 0.768 53 G HN 0.593 nan 8.290 nan 0.000 0.560 54 S N -0.043 115.670 115.700 0.022 0.000 2.507 54 S HA 0.147 4.663 4.470 0.077 0.000 0.235 54 S C 2.139 176.755 174.600 0.027 0.000 0.988 54 S CA 0.868 59.071 58.200 0.005 0.000 0.944 54 S CB -0.147 63.050 63.200 -0.004 0.000 0.762 54 S HN 0.330 nan 8.310 nan 0.000 0.526 55 L N -0.401 120.854 121.223 0.055 0.000 2.408 55 L HA 0.328 4.715 4.340 0.077 0.000 0.215 55 L C 2.550 179.452 176.870 0.053 0.000 1.081 55 L CA 0.518 55.390 54.840 0.054 0.000 0.840 55 L CB -0.261 41.837 42.059 0.067 0.000 1.002 55 L HN 0.215 nan 8.230 nan 0.000 0.468 56 K N 1.571 122.012 120.400 0.068 0.000 2.155 56 K HA 0.058 4.424 4.320 0.077 0.000 0.203 56 K C 0.590 177.218 176.600 0.046 0.000 1.052 56 K CA 1.172 57.499 56.287 0.068 0.000 0.948 56 K CB 0.181 32.736 32.500 0.091 0.000 0.728 56 K HN 0.149 nan 8.250 nan 0.000 0.448 57 A N 0.646 123.485 122.820 0.032 0.000 3.156 57 A HA 0.352 4.718 4.320 0.077 0.000 0.311 57 A C -2.307 175.280 177.584 0.006 0.000 1.129 57 A CA -1.013 51.040 52.037 0.026 0.000 0.809 57 A CB 0.789 19.811 19.000 0.035 0.000 1.257 57 A HN 0.096 nan 8.150 nan 0.000 0.491 58 P HA -0.106 nan 4.420 nan 0.000 0.220 58 P C 0.302 177.594 177.300 -0.013 0.000 1.148 58 P CA 1.223 64.320 63.100 -0.004 0.000 0.803 58 P CB 0.310 32.011 31.700 0.003 0.000 0.782 59 D N -0.896 119.501 120.400 -0.005 0.000 2.347 59 D HA -0.021 4.665 4.640 0.077 0.000 0.215 59 D C 0.371 176.658 176.300 -0.022 0.000 0.976 59 D CA 0.785 54.780 54.000 -0.009 0.000 0.884 59 D CB -0.788 40.015 40.800 0.005 0.000 0.915 59 D HN 0.132 nan 8.370 nan 0.000 0.526 60 T N 2.086 116.625 114.554 -0.025 0.000 2.727 60 T HA 0.351 4.747 4.350 0.077 0.000 0.295 60 T C 0.543 175.196 174.700 -0.079 0.000 0.915 60 T CA -0.165 61.904 62.100 -0.052 0.000 1.066 60 T CB 0.850 69.685 68.868 -0.054 0.000 0.891 60 T HN -0.048 nan 8.240 nan 0.000 0.516 61 R N 2.783 123.229 120.500 -0.091 0.000 2.912 61 R HA 0.727 5.113 4.340 0.077 0.000 0.262 61 R C -0.446 175.787 176.300 -0.112 0.000 1.057 61 R CA -1.090 54.950 56.100 -0.100 0.000 0.981 61 R CB 1.387 31.636 30.300 -0.084 0.000 1.201 61 R HN 0.734 nan 8.270 nan 0.000 0.484 62 N N -1.738 116.902 118.700 -0.100 0.000 3.116 62 N HA -0.004 4.782 4.740 0.077 0.000 0.244 62 N C -0.150 175.316 175.510 -0.074 0.000 1.485 62 N CA -0.872 52.132 53.050 -0.078 0.000 0.884 62 N CB 0.762 39.231 38.487 -0.030 0.000 1.415 62 N HN 0.637 nan 8.380 nan 0.000 0.524 63 E N -0.251 119.920 120.200 -0.048 0.000 2.085 63 E HA -0.246 4.151 4.350 0.077 0.000 0.194 63 E C 0.997 177.531 176.600 -0.110 0.000 0.994 63 E CA 1.409 57.775 56.400 -0.056 0.000 0.801 63 E CB 0.091 29.782 29.700 -0.015 0.000 0.743 63 E HN 0.485 nan 8.360 nan 0.000 0.453 64 K N 0.772 121.072 120.400 -0.166 0.000 2.025 64 K HA -0.091 4.275 4.320 0.077 0.000 0.207 64 K C 2.085 178.527 176.600 -0.263 0.000 1.049 64 K CA 1.128 57.224 56.287 -0.319 0.000 0.933 64 K CB -0.497 31.644 32.500 -0.599 0.000 0.714 64 K HN 0.161 nan 8.250 nan 0.000 0.438 65 L N 0.867 121.953 121.223 -0.229 0.000 2.013 65 L HA -0.266 4.120 4.340 0.077 0.000 0.212 65 L C 1.915 178.671 176.870 -0.191 0.000 1.073 65 L CA 1.547 56.225 54.840 -0.271 0.000 0.753 65 L CB -0.636 41.266 42.059 -0.262 0.000 0.890 65 L HN 0.291 nan 8.230 nan 0.000 0.432 66 N N -0.316 118.299 118.700 -0.141 0.000 2.120 66 N HA -0.158 4.628 4.740 0.077 0.000 0.188 66 N C 2.020 177.471 175.510 -0.099 0.000 1.024 66 N CA 1.664 54.652 53.050 -0.103 0.000 0.852 66 N CB -0.529 37.911 38.487 -0.079 0.000 1.003 66 N HN 0.371 nan 8.380 nan 0.000 0.424 67 S N 0.523 116.156 115.700 -0.112 0.000 2.469 67 S HA -0.012 4.505 4.470 0.077 0.000 0.238 67 S C 1.757 176.296 174.600 -0.102 0.000 0.998 67 S CA 0.512 58.653 58.200 -0.100 0.000 0.957 67 S CB -0.529 62.605 63.200 -0.111 0.000 0.764 67 S HN 0.269 nan 8.310 nan 0.000 0.514 68 L N 0.570 121.720 121.223 -0.122 0.000 2.599 68 L HA 0.204 4.590 4.340 0.077 0.000 0.230 68 L C 2.592 179.416 176.870 -0.076 0.000 1.141 68 L CA 0.462 55.238 54.840 -0.107 0.000 0.877 68 L CB -0.403 41.574 42.059 -0.136 0.000 1.009 68 L HN 0.250 nan 8.230 nan 0.000 0.447 69 E N 1.114 121.272 120.200 -0.070 0.000 2.209 69 E HA -0.244 4.153 4.350 0.077 0.000 0.196 69 E C 1.693 178.272 176.600 -0.035 0.000 0.993 69 E CA 1.417 57.788 56.400 -0.048 0.000 0.819 69 E CB -0.065 29.609 29.700 -0.044 0.000 0.745 69 E HN 0.575 nan 8.360 nan 0.000 0.477 70 D N -0.604 119.774 120.400 -0.037 0.000 2.218 70 D HA -0.140 4.546 4.640 0.077 0.000 0.204 70 D C 1.599 177.884 176.300 -0.024 0.000 0.976 70 D CA 1.573 55.556 54.000 -0.028 0.000 0.853 70 D CB -0.325 40.458 40.800 -0.028 0.000 0.939 70 D HN 0.292 nan 8.370 nan 0.000 0.481 71 V N -3.545 116.353 119.914 -0.027 0.000 3.528 71 V HA 0.328 4.494 4.120 0.077 0.000 0.294 71 V C 0.847 176.933 176.094 -0.014 0.000 1.404 71 V CA -0.728 61.561 62.300 -0.017 0.000 1.065 71 V CB -0.489 31.326 31.823 -0.014 0.000 0.904 71 V HN -0.157 nan 8.190 nan 0.000 0.435 72 R N 1.890 122.380 120.500 -0.017 0.000 2.623 72 R HA 0.409 4.796 4.340 0.077 0.000 0.271 72 R C -0.264 176.032 176.300 -0.008 0.000 1.043 72 R CA 0.182 56.278 56.100 -0.006 0.000 1.083 72 R CB 0.545 30.841 30.300 -0.006 0.000 0.974 72 R HN 0.356 nan 8.270 nan 0.000 0.436 73 K N 0.762 121.161 120.400 -0.002 0.000 2.426 73 K HA 0.318 4.684 4.320 0.077 0.000 0.254 73 K C -0.060 176.543 176.600 0.005 0.000 0.936 73 K CA -0.380 55.892 56.287 -0.025 0.000 0.801 73 K CB 1.842 34.313 32.500 -0.048 0.000 1.139 73 K HN 0.698 nan 8.250 nan 0.000 0.424 74 G N 0.611 109.423 108.800 0.020 0.000 2.514 74 G HA2 0.270 4.277 3.960 0.077 0.000 0.245 74 G HA3 0.270 4.277 3.960 0.077 0.000 0.245 74 G C 0.304 175.271 174.900 0.111 0.000 1.488 74 G CA 0.368 45.531 45.100 0.106 0.000 1.063 74 G HN 0.788 nan 8.290 nan 0.000 0.557 75 S N -2.824 113.022 115.700 0.242 0.000 2.571 75 S HA 0.057 4.573 4.470 0.077 0.000 0.205 75 S C 0.161 174.930 174.600 0.282 0.000 0.865 75 S CA -0.023 58.320 58.200 0.238 0.000 1.315 75 S CB -0.146 63.127 63.200 0.122 0.000 0.952 75 S HN 0.503 nan 8.310 nan 0.000 0.363 76 E N 3.169 123.475 120.200 0.176 0.000 2.415 76 E HA 0.319 4.715 4.350 0.077 0.000 0.263 76 E C -0.219 176.358 176.600 -0.038 0.000 0.995 76 E CA 0.331 56.775 56.400 0.073 0.000 0.915 76 E CB 0.022 29.748 29.700 0.044 0.000 0.951 76 E HN 0.420 nan 8.360 nan 0.000 0.449 77 N N 0.645 119.310 118.700 -0.057 0.000 2.878 77 N HA -0.207 4.579 4.740 0.077 0.000 0.247 77 N C -1.177 174.201 175.510 -0.221 0.000 1.021 77 N CA 1.127 54.083 53.050 -0.157 0.000 0.873 77 N CB -1.426 36.921 38.487 -0.234 0.000 1.128 77 N HN 0.395 nan 8.380 nan 0.000 0.571 78 Y N 0.494 120.799 120.300 0.009 0.000 2.457 78 Y HA 0.665 5.262 4.550 0.078 0.000 0.333 78 Y C 0.838 176.741 175.900 0.005 0.000 1.119 78 Y CA -0.520 57.584 58.100 0.007 0.000 1.143 78 Y CB 1.133 39.598 38.460 0.008 0.000 1.230 78 Y HN 0.115 nan 8.280 nan 0.000 0.469 79 A N 2.218 125.155 122.820 0.195 0.000 2.388 79 A HA 0.403 4.769 4.320 0.077 0.000 0.257 79 A C -0.786 176.847 177.584 0.082 0.000 1.095 79 A CA -0.473 51.626 52.037 0.103 0.000 0.791 79 A CB 0.072 19.122 19.000 0.082 0.000 1.029 79 A HN 0.688 nan 8.150 nan 0.000 0.489 80 L N 3.148 124.399 121.223 0.048 0.000 2.410 80 L HA 0.510 4.897 4.340 0.077 0.000 0.273 80 L C 0.652 177.531 176.870 0.015 0.000 1.144 80 L CA 1.182 56.037 54.840 0.024 0.000 0.863 80 L CB 0.300 42.365 42.059 0.009 0.000 1.140 80 L HN 0.923 nan 8.230 nan 0.000 0.463 81 T N 0.377 114.935 114.554 0.005 0.000 2.838 81 T HA 0.675 5.072 4.350 0.077 0.000 0.292 81 T C 0.224 174.927 174.700 0.004 0.000 1.113 81 T CA -0.178 61.928 62.100 0.010 0.000 1.008 81 T CB 0.969 69.846 68.868 0.015 0.000 1.259 81 T HN 0.775 nan 8.240 nan 0.000 0.520 82 T N 0.180 114.751 114.554 0.028 0.000 2.698 82 T HA 0.243 4.640 4.350 0.077 0.000 0.295 82 T C 1.013 175.729 174.700 0.028 0.000 1.007 82 T CA -0.512 61.613 62.100 0.042 0.000 0.980 82 T CB -0.099 68.838 68.868 0.114 0.000 1.036 82 T HN 0.565 nan 8.240 nan 0.000 0.526 83 N N 0.362 119.082 118.700 0.033 0.000 2.512 83 N HA -0.046 4.740 4.740 0.077 0.000 0.183 83 N C 1.531 177.059 175.510 0.030 0.000 1.073 83 N CA 0.489 53.551 53.050 0.020 0.000 0.911 83 N CB -0.138 38.370 38.487 0.035 0.000 0.964 83 N HN 0.532 nan 8.380 nan 0.000 0.447 84 Q N -0.534 119.296 119.800 0.049 0.000 2.360 84 Q HA 0.205 4.592 4.340 0.077 0.000 0.202 84 Q C 0.763 176.783 176.000 0.033 0.000 0.915 84 Q CA 0.122 55.948 55.803 0.039 0.000 0.943 84 Q CB 0.440 29.205 28.738 0.045 0.000 1.064 84 Q HN 0.376 nan 8.270 nan 0.000 0.511 85 G N 0.515 109.335 108.800 0.033 0.000 2.132 85 G HA2 -0.234 3.773 3.960 0.077 0.000 0.234 85 G HA3 -0.234 3.773 3.960 0.077 0.000 0.234 85 G C 0.061 174.987 174.900 0.043 0.000 0.989 85 G CA 0.147 45.262 45.100 0.025 0.000 0.676 85 G HN 0.215 nan 8.290 nan 0.000 0.522 86 V N 1.613 121.569 119.914 0.070 0.000 2.432 86 V HA 0.354 4.521 4.120 0.077 0.000 0.271 86 V C 1.334 177.471 176.094 0.070 0.000 1.046 86 V CA -0.596 61.758 62.300 0.090 0.000 0.945 86 V CB 1.064 32.987 31.823 0.166 0.000 0.992 86 V HN 0.416 nan 8.190 nan 0.000 0.471 87 R N 4.326 124.859 120.500 0.055 0.000 2.570 87 R HA 0.315 4.701 4.340 0.077 0.000 0.277 87 R C -0.472 175.844 176.300 0.026 0.000 1.039 87 R CA 0.023 56.147 56.100 0.038 0.000 1.065 87 R CB 0.451 30.773 30.300 0.037 0.000 0.964 87 R HN 0.578 nan 8.270 nan 0.000 0.428 88 I N 1.991 122.564 120.570 0.006 0.000 2.353 88 I HA 0.123 4.340 4.170 0.077 0.000 0.293 88 I C 0.965 177.071 176.117 -0.017 0.000 0.992 88 I CA 0.001 61.288 61.300 -0.022 0.000 1.268 88 I CB 1.886 39.862 38.000 -0.040 0.000 1.387 88 I HN 0.772 nan 8.210 nan 0.000 0.478 89 A N 4.021 126.827 122.820 -0.024 0.000 1.887 89 A HA 0.013 4.379 4.320 0.077 0.000 0.212 89 A C 0.623 178.191 177.584 -0.026 0.000 1.198 89 A CA 0.921 52.947 52.037 -0.018 0.000 0.628 89 A CB 0.054 19.047 19.000 -0.013 0.000 0.847 89 A HN 0.689 nan 8.150 nan 0.000 0.449 90 D N -0.641 119.735 120.400 -0.040 0.000 2.421 90 D HA 0.336 5.023 4.640 0.077 0.000 0.254 90 D C -1.356 174.912 176.300 -0.054 0.000 1.238 90 D CA -0.380 53.595 54.000 -0.041 0.000 0.919 90 D CB 1.227 42.004 40.800 -0.038 0.000 1.152 90 D HN 0.049 nan 8.370 nan 0.000 0.552 91 D N 2.091 122.463 120.400 -0.048 0.000 2.395 91 D HA 0.061 4.748 4.640 0.077 0.000 0.226 91 D C 0.604 176.873 176.300 -0.053 0.000 1.146 91 D CA 0.254 54.222 54.000 -0.054 0.000 0.830 91 D CB 0.511 41.283 40.800 -0.045 0.000 0.958 91 D HN 0.236 nan 8.370 nan 0.000 0.501 92 Q N -0.652 119.118 119.800 -0.049 0.000 2.280 92 Q HA 0.264 4.651 4.340 0.077 0.000 0.228 92 Q C -0.134 175.836 176.000 -0.049 0.000 0.857 92 Q CA 0.224 56.000 55.803 -0.046 0.000 0.939 92 Q CB 0.795 29.510 28.738 -0.038 0.000 1.114 92 Q HN 0.208 nan 8.270 nan 0.000 0.514 93 N N -0.009 118.660 118.700 -0.052 0.000 2.329 93 N HA 0.322 5.109 4.740 0.077 0.000 0.282 93 N C -0.962 174.514 175.510 -0.057 0.000 1.198 93 N CA -0.282 52.738 53.050 -0.050 0.000 0.790 93 N CB 2.070 40.533 38.487 -0.041 0.000 1.579 93 N HN -0.187 nan 8.380 nan 0.000 0.475 94 S N 0.646 116.315 115.700 -0.051 0.000 2.632 94 S HA 0.318 4.835 4.470 0.077 0.000 0.267 94 S C 0.061 174.635 174.600 -0.044 0.000 1.276 94 S CA -0.573 57.596 58.200 -0.052 0.000 0.998 94 S CB 0.733 63.909 63.200 -0.040 0.000 0.953 94 S HN 0.399 nan 8.310 nan 0.000 0.547 95 L N 3.470 124.666 121.223 -0.044 0.000 2.313 95 L HA 0.443 4.830 4.340 0.077 0.000 0.282 95 L C 0.005 176.866 176.870 -0.016 0.000 1.092 95 L CA 0.284 55.106 54.840 -0.031 0.000 0.831 95 L CB -0.067 41.975 42.059 -0.029 0.000 1.159 95 L HN 0.698 nan 8.230 nan 0.000 0.442 96 R N 4.251 124.743 120.500 -0.012 0.000 2.836 96 R HA 0.867 5.253 4.340 0.077 0.000 0.269 96 R C -1.117 175.181 176.300 -0.002 0.000 1.010 96 R CA -0.878 55.218 56.100 -0.006 0.000 0.930 96 R CB 1.164 31.459 30.300 -0.010 0.000 1.218 96 R HN 0.588 nan 8.270 nan 0.000 0.473 97 A N 1.239 124.059 122.820 0.000 0.000 2.527 97 A HA 0.587 4.954 4.320 0.077 0.000 0.313 97 A C 0.566 178.150 177.584 -0.000 0.000 1.410 97 A CA 0.267 52.305 52.037 0.002 0.000 1.060 97 A CB -0.803 18.200 19.000 0.004 0.000 1.137 97 A HN 1.197 nan 8.150 nan 0.000 0.542 98 G N 1.239 110.038 108.800 -0.001 0.000 2.705 98 G HA2 0.043 4.049 3.960 0.077 0.000 0.686 98 G HA3 0.043 4.049 3.960 0.077 0.000 0.686 98 G C 0.692 175.589 174.900 -0.005 0.000 1.285 98 G CA 0.177 45.275 45.100 -0.003 0.000 0.800 98 G HN 1.897 nan 8.290 nan 0.000 0.611 99 S N -0.015 115.681 115.700 -0.007 0.000 2.507 99 S HA 0.014 4.530 4.470 0.077 0.000 0.235 99 S C 1.579 176.174 174.600 -0.010 0.000 0.988 99 S CA 1.438 59.633 58.200 -0.009 0.000 0.944 99 S CB 0.074 63.269 63.200 -0.010 0.000 0.762 99 S HN 0.733 nan 8.310 nan 0.000 0.526 100 R N 0.526 121.021 120.500 -0.008 0.000 2.577 100 R HA 0.310 4.696 4.340 0.077 0.000 0.344 100 R C 0.852 177.148 176.300 -0.006 0.000 1.037 100 R CA 0.129 56.224 56.100 -0.008 0.000 1.102 100 R CB 0.864 31.160 30.300 -0.006 0.000 1.313 100 R HN 0.464 nan 8.270 nan 0.000 0.561 101 G N 1.703 110.500 108.800 -0.006 0.000 2.531 101 G HA2 0.366 4.373 3.960 0.077 0.000 0.313 101 G HA3 0.366 4.373 3.960 0.077 0.000 0.313 101 G C -2.410 172.487 174.900 -0.004 0.000 1.238 101 G CA -1.022 44.076 45.100 -0.004 0.000 0.994 101 G HN -0.109 nan 8.290 nan 0.000 0.493 102 P HA 0.185 nan 4.420 nan 0.000 0.274 102 P C -0.153 177.146 177.300 -0.001 0.000 1.231 102 P CA -0.018 63.081 63.100 -0.001 0.000 0.790 102 P CB 0.767 32.468 31.700 0.002 0.000 0.951 103 T N 2.749 117.302 114.554 -0.002 0.000 2.901 103 T HA 0.256 4.653 4.350 0.077 0.000 0.301 103 T C 0.521 175.224 174.700 0.005 0.000 1.012 103 T CA -0.150 61.949 62.100 -0.003 0.000 1.135 103 T CB -0.000 68.864 68.868 -0.006 0.000 0.936 103 T HN 0.187 nan 8.240 nan 0.000 0.539 104 L N 3.508 124.735 121.223 0.008 0.000 2.357 104 L HA 0.322 4.708 4.340 0.077 0.000 0.273 104 L C 1.457 178.342 176.870 0.026 0.000 1.080 104 L CA -0.778 54.072 54.840 0.017 0.000 0.803 104 L CB 0.711 42.783 42.059 0.021 0.000 1.174 104 L HN 0.511 nan 8.230 nan 0.000 0.443 105 L N 2.096 123.339 121.223 0.032 0.000 2.131 105 L HA -0.180 4.206 4.340 0.077 0.000 0.210 105 L C 2.328 179.235 176.870 0.062 0.000 1.092 105 L CA 1.620 56.485 54.840 0.041 0.000 0.759 105 L CB -0.570 41.511 42.059 0.037 0.000 0.903 105 L HN 0.804 nan 8.230 nan 0.000 0.435 106 E N -1.414 118.828 120.200 0.070 0.000 2.516 106 E HA -0.181 4.216 4.350 0.077 0.000 0.199 106 E C 0.177 176.872 176.600 0.159 0.000 1.069 106 E CA 0.225 56.693 56.400 0.112 0.000 0.876 106 E CB -0.521 29.239 29.700 0.099 0.000 0.843 106 E HN 0.372 nan 8.360 nan 0.000 0.530 107 D N 1.200 121.649 120.400 0.083 0.000 2.416 107 D HA -0.050 4.637 4.640 0.077 0.000 0.240 107 D C 0.475 176.794 176.300 0.031 0.000 1.250 107 D CA -0.437 53.568 54.000 0.009 0.000 0.967 107 D CB -0.100 40.677 40.800 -0.039 0.000 1.059 107 D HN 0.301 nan 8.370 nan 0.000 0.512 108 F N 2.273 122.231 119.950 0.014 0.000 2.407 108 F HA 0.076 4.649 4.527 0.077 0.000 0.299 108 F C 1.615 177.428 175.800 0.020 0.000 1.097 108 F CA 0.146 58.157 58.000 0.019 0.000 1.422 108 F CB -0.595 38.415 39.000 0.016 0.000 1.067 108 F HN 0.198 nan 8.300 nan 0.000 0.539 109 I N 0.414 120.638 120.570 -0.577 0.000 2.233 109 I HA -0.184 4.033 4.170 0.077 0.000 0.243 109 I C 2.476 178.499 176.117 -0.157 0.000 1.093 109 I CA 1.043 62.099 61.300 -0.406 0.000 1.380 109 I CB -0.481 37.198 38.000 -0.534 0.000 1.067 109 I HN 0.291 nan 8.210 nan 0.000 0.413 110 L N 1.102 122.242 121.223 -0.138 0.000 1.994 110 L HA -0.177 4.210 4.340 0.077 0.000 0.208 110 L C 2.635 179.500 176.870 -0.009 0.000 1.071 110 L CA 1.831 56.631 54.840 -0.067 0.000 0.745 110 L CB -0.575 41.448 42.059 -0.061 0.000 0.892 110 L HN 0.034 nan 8.230 nan 0.000 0.431 111 R N -0.506 120.006 120.500 0.021 0.000 2.096 111 R HA -0.185 4.202 4.340 0.077 0.000 0.235 111 R C 2.343 178.700 176.300 0.095 0.000 1.127 111 R CA 1.637 57.777 56.100 0.067 0.000 0.968 111 R CB -0.405 29.948 30.300 0.087 0.000 0.861 111 R HN 0.605 nan 8.270 nan 0.000 0.440 112 E N 1.079 121.338 120.200 0.099 0.000 2.072 112 E HA -0.221 4.176 4.350 0.077 0.000 0.191 112 E C 1.924 178.600 176.600 0.127 0.000 0.985 112 E CA 1.130 57.604 56.400 0.124 0.000 0.801 112 E CB 0.124 29.901 29.700 0.128 0.000 0.750 112 E HN 0.151 nan 8.360 nan 0.000 0.452 113 K N 0.335 120.778 120.400 0.073 0.000 2.026 113 K HA -0.145 4.222 4.320 0.077 0.000 0.208 113 K C 2.130 178.802 176.600 0.120 0.000 1.048 113 K CA 1.405 57.733 56.287 0.067 0.000 0.929 113 K CB -0.035 32.464 32.500 -0.002 0.000 0.713 113 K HN 0.146 nan 8.250 nan 0.000 0.439 114 I N 1.235 121.861 120.570 0.094 0.000 2.315 114 I HA -0.179 4.038 4.170 0.077 0.000 0.248 114 I C 2.130 178.372 176.117 0.209 0.000 1.117 114 I CA 1.284 62.663 61.300 0.132 0.000 1.404 114 I CB -1.406 36.634 38.000 0.066 0.000 1.071 114 I HN 0.251 nan 8.210 nan 0.000 0.419 115 T N -0.236 114.432 114.554 0.191 0.000 2.674 115 T HA -0.223 4.173 4.350 0.077 0.000 0.265 115 T C 1.969 176.840 174.700 0.286 0.000 1.039 115 T CA 1.448 63.693 62.100 0.241 0.000 1.150 115 T CB -0.453 68.548 68.868 0.222 0.000 0.864 115 T HN 0.337 nan 8.240 nan 0.000 0.427 116 H N -0.034 119.144 119.070 0.180 0.000 2.319 116 H HA -0.095 4.508 4.556 0.078 0.000 0.299 116 H C 2.224 177.626 175.328 0.124 0.000 1.092 116 H CA 1.784 57.918 56.048 0.143 0.000 1.302 116 H CB -0.480 29.340 29.762 0.097 0.000 1.373 116 H HN 0.381 nan 8.280 nan 0.000 0.497 117 F N 2.197 122.229 119.950 0.137 0.000 2.069 117 F HA -0.234 4.341 4.527 0.079 0.000 0.298 117 F C 2.136 177.906 175.800 -0.049 0.000 1.113 117 F CA 1.971 59.996 58.000 0.042 0.000 1.214 117 F CB -0.473 38.539 39.000 0.019 0.000 0.978 117 F HN 0.084 nan 8.300 nan 0.000 0.474 118 D N -0.997 119.339 120.400 -0.106 0.000 2.228 118 D HA -0.191 4.495 4.640 0.077 0.000 0.203 118 D C 1.349 177.319 176.300 -0.551 0.000 0.988 118 D CA 1.410 55.182 54.000 -0.380 0.000 0.864 118 D CB -0.526 40.049 40.800 -0.376 0.000 0.928 118 D HN 0.526 nan 8.370 nan 0.000 0.469 119 H N -0.005 118.947 119.070 -0.197 0.000 2.488 119 H HA 0.214 4.816 4.556 0.078 0.000 0.294 119 H C 1.083 176.251 175.328 -0.267 0.000 1.088 119 H CA -0.069 55.857 56.048 -0.203 0.000 1.086 119 H CB 0.442 30.100 29.762 -0.173 0.000 1.569 119 H HN 0.296 nan 8.280 nan 0.000 0.548 120 E N 0.720 120.769 120.200 -0.251 0.000 2.106 120 E HA -0.052 4.345 4.350 0.077 0.000 0.192 120 E C 0.564 177.027 176.600 -0.228 0.000 0.984 120 E CA 0.534 56.761 56.400 -0.288 0.000 0.806 120 E CB 0.415 29.923 29.700 -0.320 0.000 0.750 120 E HN 0.193 nan 8.360 nan 0.000 0.458 121 R N 1.272 121.691 120.500 -0.135 0.000 2.490 121 R HA 0.316 4.703 4.340 0.077 0.000 0.280 121 R C 0.467 176.805 176.300 0.064 0.000 1.077 121 R CA -0.085 56.009 56.100 -0.010 0.000 1.065 121 R CB 0.399 30.678 30.300 -0.034 0.000 1.003 121 R HN 0.190 nan 8.270 nan 0.000 0.470 122 I N -1.262 119.401 120.570 0.155 0.000 2.892 122 I HA 0.573 4.790 4.170 0.077 0.000 0.306 122 I C -2.346 173.822 176.117 0.085 0.000 1.078 122 I CA -3.012 58.364 61.300 0.128 0.000 1.032 122 I CB 2.002 40.106 38.000 0.173 0.000 1.229 122 I HN 0.249 nan 8.210 nan 0.000 0.435 123 P HA 0.100 nan 4.420 nan 0.000 0.266 123 P C -0.896 176.420 177.300 0.026 0.000 1.195 123 P CA -0.037 63.079 63.100 0.027 0.000 0.768 123 P CB 0.406 32.112 31.700 0.009 0.000 0.838 124 E N 2.545 122.762 120.200 0.027 0.000 2.369 124 E HA 0.227 4.624 4.350 0.077 0.000 0.255 124 E C -0.472 176.133 176.600 0.007 0.000 1.172 124 E CA -0.899 55.519 56.400 0.030 0.000 0.932 124 E CB 0.633 30.359 29.700 0.042 0.000 1.040 124 E HN 0.250 nan 8.360 nan 0.000 0.454 125 R N 0.679 121.183 120.500 0.006 0.000 2.640 125 R HA 0.002 4.389 4.340 0.077 0.000 0.270 125 R C 1.100 177.398 176.300 -0.004 0.000 1.024 125 R CA -0.040 56.053 56.100 -0.012 0.000 1.085 125 R CB 0.172 30.473 30.300 0.001 0.000 0.963 125 R HN 0.635 nan 8.270 nan 0.000 0.426 126 I N 2.874 123.433 120.570 -0.020 0.000 2.264 126 I HA -0.186 4.031 4.170 0.077 0.000 0.248 126 I C 0.386 176.517 176.117 0.023 0.000 1.111 126 I CA 1.335 62.635 61.300 0.000 0.000 1.382 126 I CB 0.400 38.397 38.000 -0.005 0.000 1.060 126 I HN 0.418 nan 8.210 nan 0.000 0.418 127 V N -3.004 116.932 119.914 0.036 0.000 3.040 127 V HA 0.841 5.008 4.120 0.077 0.000 0.312 127 V C 0.440 176.576 176.094 0.070 0.000 1.115 127 V CA -0.843 61.501 62.300 0.074 0.000 0.998 127 V CB 0.942 32.857 31.823 0.153 0.000 1.042 127 V HN 0.627 nan 8.190 nan 0.000 0.433 128 A N 1.019 123.892 122.820 0.089 0.000 2.925 128 A HA -0.093 4.273 4.320 0.077 0.000 0.265 128 A C 1.662 179.289 177.584 0.072 0.000 1.419 128 A CA 1.655 53.741 52.037 0.082 0.000 0.807 128 A CB -1.910 17.128 19.000 0.064 0.000 1.043 128 A HN 2.640 nan 8.150 nan 0.000 0.600 129 A N -0.758 122.103 122.820 0.070 0.000 1.972 129 A HA 0.144 4.510 4.320 0.077 0.000 0.219 129 A C 1.395 179.044 177.584 0.108 0.000 1.169 129 A CA 1.884 53.965 52.037 0.073 0.000 0.635 129 A CB -0.129 18.905 19.000 0.058 0.000 0.810 129 A HN 1.172 nan 8.150 nan 0.000 0.446 130 R N 0.433 121.004 120.500 0.118 0.000 2.196 130 R HA 0.505 4.892 4.340 0.077 0.000 0.340 130 R C -0.157 176.251 176.300 0.179 0.000 1.043 130 R CA 0.559 56.753 56.100 0.156 0.000 0.883 130 R CB 0.031 30.418 30.300 0.146 0.000 1.078 130 R HN 0.327 nan 8.270 nan 0.000 0.462 131 G N 0.926 109.857 108.800 0.218 0.000 2.698 131 G HA2 0.508 4.515 3.960 0.077 0.000 0.293 131 G HA3 0.508 4.515 3.960 0.077 0.000 0.293 131 G C -1.603 173.442 174.900 0.240 0.000 1.437 131 G CA -0.595 44.603 45.100 0.163 0.000 0.852 131 G HN 0.475 nan 8.290 nan 0.000 0.499 132 S N -0.839 114.959 115.700 0.163 0.000 2.532 132 S HA 0.873 5.389 4.470 0.077 0.000 0.299 132 S C -0.069 174.534 174.600 0.005 0.000 1.105 132 S CA -0.286 58.060 58.200 0.243 0.000 1.018 132 S CB 1.744 65.211 63.200 0.445 0.000 1.021 132 S HN 1.455 nan 8.310 nan 0.000 0.483 133 A N 1.668 124.450 122.820 -0.063 0.000 2.430 133 A HA 1.038 5.404 4.320 0.077 0.000 0.300 133 A C -0.742 176.642 177.584 -0.332 0.000 1.124 133 A CA -0.791 51.010 52.037 -0.393 0.000 0.766 133 A CB 1.597 20.233 19.000 -0.606 0.000 1.328 133 A HN 1.353 nan 8.150 nan 0.000 0.424 134 A N 0.388 122.831 122.820 -0.627 0.000 2.612 134 A HA 0.711 5.077 4.320 0.077 0.000 0.293 134 A C -1.059 176.315 177.584 -0.351 0.000 1.075 134 A CA -0.669 51.170 52.037 -0.329 0.000 0.680 134 A CB 0.708 19.621 19.000 -0.144 0.000 1.279 134 A HN 0.888 nan 8.150 nan 0.000 0.411 135 H N -0.363 118.714 119.070 0.012 0.000 2.488 135 H HA 0.697 5.299 4.556 0.077 0.000 0.347 135 H C 0.595 175.923 175.328 -0.001 0.000 1.174 135 H CA 0.699 56.815 56.048 0.114 0.000 1.307 135 H CB 1.839 31.681 29.762 0.134 0.000 1.517 135 H HN 1.156 nan 8.280 nan 0.000 0.554 136 G N 0.345 109.249 108.800 0.174 0.000 2.494 136 G HA2 0.360 4.366 3.960 0.077 0.000 0.308 136 G HA3 0.360 4.366 3.960 0.077 0.000 0.308 136 G C -2.089 172.961 174.900 0.250 0.000 1.263 136 G CA -0.734 44.438 45.100 0.120 0.000 0.840 136 G HN 0.642 nan 8.290 nan 0.000 0.479 137 Y N -1.816 118.523 120.300 0.065 0.000 2.597 137 Y HA 0.843 5.439 4.550 0.077 0.000 0.340 137 Y C -1.600 174.439 175.900 0.232 0.000 1.097 137 Y CA -1.811 56.373 58.100 0.140 0.000 1.037 137 Y CB 2.017 40.532 38.460 0.091 0.000 1.305 137 Y HN 0.786 nan 8.280 nan 0.000 0.463 138 F N 2.329 122.413 119.950 0.223 0.000 2.577 138 F HA 0.693 5.267 4.527 0.079 0.000 0.318 138 F C -1.243 174.725 175.800 0.281 0.000 1.065 138 F CA -0.638 57.496 58.000 0.224 0.000 0.929 138 F CB 2.390 41.662 39.000 0.453 0.000 1.237 138 F HN 0.803 nan 8.300 nan 0.000 0.468 139 Q N 6.646 125.783 119.800 -1.105 0.000 2.364 139 Q HA 0.393 4.779 4.340 0.077 0.000 0.257 139 Q C -3.176 172.156 176.000 -1.113 0.000 0.956 139 Q CA -2.025 53.317 55.803 -0.768 0.000 0.924 139 Q CB 2.950 31.575 28.738 -0.190 0.000 1.413 139 Q HN 0.375 nan 8.270 nan 0.000 0.418 140 P HA 0.015 nan 4.420 nan 0.000 0.272 140 P C -0.332 176.808 177.300 -0.268 0.000 1.223 140 P CA 0.112 62.949 63.100 -0.439 0.000 0.784 140 P CB 0.583 32.200 31.700 -0.139 0.000 0.923 141 Y N 0.832 121.065 120.300 -0.112 0.000 2.314 141 Y HA -0.062 4.535 4.550 0.078 0.000 0.293 141 Y C 1.590 177.460 175.900 -0.051 0.000 1.129 141 Y CA 0.609 58.667 58.100 -0.069 0.000 1.201 141 Y CB 0.223 38.653 38.460 -0.050 0.000 0.999 141 Y HN 0.375 nan 8.280 nan 0.000 0.541 142 K N -1.073 119.384 120.400 0.096 0.000 2.555 142 K HA 0.357 4.724 4.320 0.077 0.000 0.279 142 K C -0.939 175.665 176.600 0.005 0.000 0.986 142 K CA -0.909 55.406 56.287 0.046 0.000 0.880 142 K CB 1.562 34.092 32.500 0.049 0.000 1.474 142 K HN -0.245 nan 8.250 nan 0.000 0.433 143 S N 0.809 116.509 115.700 0.001 0.000 2.549 143 S HA 0.133 4.649 4.470 0.077 0.000 0.286 143 S C 0.440 175.029 174.600 -0.019 0.000 1.314 143 S CA -0.490 57.702 58.200 -0.014 0.000 1.062 143 S CB -0.173 63.023 63.200 -0.007 0.000 0.865 143 S HN 0.531 nan 8.310 nan 0.000 0.498 144 L N 4.621 125.822 121.223 -0.037 0.000 2.965 144 L HA 0.144 4.530 4.340 0.077 0.000 0.254 144 L C 1.973 178.826 176.870 -0.028 0.000 1.220 144 L CA -0.001 54.825 54.840 -0.023 0.000 1.023 144 L CB -0.097 41.950 42.059 -0.020 0.000 1.355 144 L HN 0.850 nan 8.230 nan 0.000 0.545 145 S N -1.739 113.943 115.700 -0.030 0.000 2.442 145 S HA -0.171 4.345 4.470 0.077 0.000 0.236 145 S C 1.220 175.802 174.600 -0.029 0.000 1.007 145 S CA 1.054 59.234 58.200 -0.033 0.000 0.965 145 S CB -0.121 63.064 63.200 -0.025 0.000 0.773 145 S HN 0.391 nan 8.310 nan 0.000 0.504 146 D N 2.111 122.499 120.400 -0.020 0.000 2.219 146 D HA 0.023 4.710 4.640 0.077 0.000 0.205 146 D C 1.842 178.124 176.300 -0.030 0.000 0.970 146 D CA 1.395 55.383 54.000 -0.020 0.000 0.851 146 D CB -0.209 40.584 40.800 -0.010 0.000 0.943 146 D HN 0.799 nan 8.370 nan 0.000 0.488 147 I N -3.684 116.870 120.570 -0.027 0.000 4.181 147 I HA 0.225 4.441 4.170 0.077 0.000 0.331 147 I C 0.375 176.449 176.117 -0.072 0.000 1.312 147 I CA 0.062 61.336 61.300 -0.043 0.000 1.146 147 I CB 1.095 39.089 38.000 -0.010 0.000 1.074 147 I HN -0.251 nan 8.210 nan 0.000 0.402 148 T N 1.491 116.006 114.554 -0.065 0.000 2.982 148 T HA 0.293 4.690 4.350 0.077 0.000 0.321 148 T C -0.087 174.560 174.700 -0.088 0.000 1.229 148 T CA -0.707 61.336 62.100 -0.094 0.000 1.044 148 T CB 1.748 70.551 68.868 -0.108 0.000 1.184 148 T HN 0.429 nan 8.240 nan 0.000 0.477 149 K N 2.375 122.721 120.400 -0.091 0.000 2.417 149 K HA 0.565 4.931 4.320 0.077 0.000 0.196 149 K C 0.720 177.280 176.600 -0.067 0.000 1.023 149 K CA -0.289 55.956 56.287 -0.070 0.000 1.122 149 K CB 0.249 32.713 32.500 -0.060 0.000 0.850 149 K HN 0.495 nan 8.250 nan 0.000 0.521 150 A N 2.224 124.981 122.820 -0.105 0.000 2.537 150 A HA -0.057 4.309 4.320 0.077 0.000 0.260 150 A C 0.580 178.119 177.584 -0.076 0.000 1.082 150 A CA 0.110 52.092 52.037 -0.092 0.000 0.765 150 A CB -0.013 18.860 19.000 -0.211 0.000 1.019 150 A HN 0.472 nan 8.150 nan 0.000 0.507 151 D N 2.411 122.843 120.400 0.053 0.000 2.133 151 D HA -0.260 4.426 4.640 0.077 0.000 0.195 151 D C 1.369 177.743 176.300 0.124 0.000 0.997 151 D CA 2.390 56.439 54.000 0.082 0.000 0.840 151 D CB -0.259 40.611 40.800 0.117 0.000 0.947 151 D HN 0.756 nan 8.370 nan 0.000 0.452 152 F N -0.730 119.237 119.950 0.028 0.000 2.546 152 F HA 0.121 4.695 4.527 0.078 0.000 0.298 152 F C 1.130 177.013 175.800 0.139 0.000 1.120 152 F CA 0.445 58.501 58.000 0.094 0.000 1.456 152 F CB -0.194 38.844 39.000 0.063 0.000 1.088 152 F HN -0.034 nan 8.300 nan 0.000 0.572 153 L N 0.606 121.540 121.223 -0.482 0.000 2.808 153 L HA 0.185 4.571 4.340 0.077 0.000 0.246 153 L C 2.082 178.860 176.870 -0.154 0.000 1.153 153 L CA 0.414 55.032 54.840 -0.371 0.000 0.956 153 L CB -0.007 41.692 42.059 -0.599 0.000 1.270 153 L HN 0.320 nan 8.230 nan 0.000 0.528 154 S N -1.988 113.661 115.700 -0.085 0.000 2.470 154 S HA -0.008 4.508 4.470 0.077 0.000 0.225 154 S C 0.517 175.111 174.600 -0.010 0.000 1.006 154 S CA 0.173 58.350 58.200 -0.038 0.000 0.934 154 S CB 0.138 63.330 63.200 -0.013 0.000 0.778 154 S HN 0.351 nan 8.310 nan 0.000 0.517 155 D N 0.767 121.170 120.400 0.006 0.000 2.970 155 D HA 0.355 5.042 4.640 0.077 0.000 0.230 155 D C -2.416 173.892 176.300 0.013 0.000 1.276 155 D CA -2.061 51.948 54.000 0.016 0.000 0.910 155 D CB 2.246 43.064 40.800 0.030 0.000 1.590 155 D HN -0.125 nan 8.370 nan 0.000 0.551 156 P HA -0.049 nan 4.420 nan 0.000 0.222 156 P C 0.266 177.574 177.300 0.013 0.000 1.147 156 P CA 0.702 63.804 63.100 0.004 0.000 0.790 156 P CB 0.462 32.178 31.700 0.026 0.000 0.780 157 N N -0.433 118.283 118.700 0.025 0.000 2.238 157 N HA 0.087 4.874 4.740 0.077 0.000 0.222 157 N C 0.164 175.700 175.510 0.044 0.000 1.133 157 N CA 0.020 53.089 53.050 0.032 0.000 0.854 157 N CB 0.736 39.240 38.487 0.028 0.000 1.041 157 N HN 0.240 nan 8.380 nan 0.000 0.510 158 K N 1.382 121.816 120.400 0.057 0.000 2.281 158 K HA 0.431 4.798 4.320 0.077 0.000 0.272 158 K C -0.338 176.341 176.600 0.131 0.000 1.048 158 K CA -0.284 56.056 56.287 0.089 0.000 0.898 158 K CB 1.474 34.033 32.500 0.098 0.000 1.128 158 K HN -0.043 nan 8.250 nan 0.000 0.460 159 I N 2.295 122.948 120.570 0.138 0.000 2.440 159 I HA 0.173 4.389 4.170 0.077 0.000 0.294 159 I C 0.021 176.302 176.117 0.272 0.000 0.995 159 I CA -0.384 61.038 61.300 0.204 0.000 1.306 159 I CB 1.889 39.980 38.000 0.152 0.000 1.407 159 I HN 0.457 nan 8.210 nan 0.000 0.501 160 T N 6.726 121.526 114.554 0.409 0.000 2.791 160 T HA 0.338 4.734 4.350 0.077 0.000 0.288 160 T C -2.500 172.472 174.700 0.454 0.000 0.999 160 T CA -1.402 60.974 62.100 0.461 0.000 0.952 160 T CB 1.421 70.672 68.868 0.640 0.000 0.938 160 T HN 0.250 nan 8.240 nan 0.000 0.444 161 P HA 0.243 nan 4.420 nan 0.000 0.268 161 P C -0.479 177.076 177.300 0.424 0.000 1.205 161 P CA -0.402 62.900 63.100 0.337 0.000 0.771 161 P CB 0.533 32.355 31.700 0.204 0.000 0.858 162 V N 0.284 120.388 119.914 0.317 0.000 3.074 162 V HA 0.740 4.906 4.120 0.077 0.000 0.314 162 V C -1.268 175.003 176.094 0.294 0.000 1.117 162 V CA -0.975 61.420 62.300 0.158 0.000 1.014 162 V CB 2.233 33.931 31.823 -0.208 0.000 1.057 162 V HN 0.315 nan 8.190 nan 0.000 0.438 163 F N 1.548 121.494 119.950 -0.007 0.000 2.539 163 F HA 0.839 5.411 4.527 0.076 0.000 0.318 163 F C -0.882 174.812 175.800 -0.177 0.000 1.135 163 F CA -0.742 57.192 58.000 -0.110 0.000 0.915 163 F CB 1.959 40.924 39.000 -0.060 0.000 1.176 163 F HN 0.518 nan 8.300 nan 0.000 0.440 164 V N 6.487 125.905 119.914 -0.826 0.000 2.604 164 V HA 0.582 4.749 4.120 0.077 0.000 0.305 164 V C -0.719 174.729 176.094 -1.077 0.000 1.043 164 V CA -0.860 60.911 62.300 -0.882 0.000 0.888 164 V CB 2.028 33.269 31.823 -0.971 0.000 0.995 164 V HN 0.729 nan 8.190 nan 0.000 0.429 165 R N 3.412 123.305 120.500 -1.012 0.000 2.439 165 R HA 0.605 4.991 4.340 0.077 0.000 0.310 165 R C -1.678 174.054 176.300 -0.947 0.000 0.955 165 R CA -0.434 55.175 56.100 -0.819 0.000 0.853 165 R CB 1.123 31.174 30.300 -0.414 0.000 1.171 165 R HN 0.558 nan 8.270 nan 0.000 0.449 166 F N 2.271 121.809 119.950 -0.686 0.000 2.399 166 F HA 0.482 5.056 4.527 0.079 0.000 0.334 166 F C 0.539 175.947 175.800 -0.654 0.000 1.097 166 F CA -0.144 57.304 58.000 -0.919 0.000 1.076 166 F CB 2.059 40.014 39.000 -1.743 0.000 1.162 166 F HN 0.587 nan 8.300 nan 0.000 0.495 167 S N -0.655 114.915 115.700 -0.216 0.000 2.656 167 S HA 0.721 5.237 4.470 0.077 0.000 0.273 167 S C -0.553 174.144 174.600 0.163 0.000 1.168 167 S CA -0.870 57.340 58.200 0.016 0.000 0.817 167 S CB 1.520 64.721 63.200 0.002 0.000 1.146 167 S HN 0.666 nan 8.310 nan 0.000 0.475 168 T N -1.838 112.837 114.554 0.203 0.000 2.888 168 T HA 0.720 5.116 4.350 0.077 0.000 0.283 168 T C 0.699 175.501 174.700 0.170 0.000 1.013 168 T CA -0.295 61.934 62.100 0.213 0.000 0.938 168 T CB 0.562 69.554 68.868 0.207 0.000 1.298 168 T HN 0.533 nan 8.240 nan 0.000 0.580 169 V N -0.189 119.826 119.914 0.168 0.000 2.948 169 V HA 0.110 4.276 4.120 0.077 0.000 0.234 169 V C 2.749 178.908 176.094 0.108 0.000 1.205 169 V CA 0.349 62.749 62.300 0.166 0.000 1.234 169 V CB -0.237 31.730 31.823 0.240 0.000 1.020 169 V HN 0.864 nan 8.190 nan 0.000 0.491 170 Q N 1.044 120.890 119.800 0.076 0.000 2.033 170 Q HA 0.040 4.427 4.340 0.077 0.000 0.196 170 Q C 1.345 177.354 176.000 0.015 0.000 0.970 170 Q CA 1.417 57.231 55.803 0.017 0.000 0.828 170 Q CB -0.494 28.229 28.738 -0.026 0.000 0.895 170 Q HN 0.585 nan 8.270 nan 0.000 0.440 171 G N -0.039 108.780 108.800 0.031 0.000 2.690 171 G HA2 0.288 4.295 3.960 0.077 0.000 0.239 171 G HA3 0.288 4.295 3.960 0.077 0.000 0.239 171 G C 0.217 175.135 174.900 0.030 0.000 1.233 171 G CA 0.132 45.246 45.100 0.023 0.000 0.847 171 G HN 0.364 nan 8.290 nan 0.000 0.588 172 G N -1.031 107.778 108.800 0.015 0.000 2.621 172 G HA2 0.495 4.501 3.960 0.077 0.000 0.271 172 G HA3 0.495 4.501 3.960 0.077 0.000 0.271 172 G C 1.334 176.262 174.900 0.047 0.000 1.236 172 G CA 0.426 45.540 45.100 0.023 0.000 0.958 172 G HN 1.106 nan 8.290 nan 0.000 0.512 173 A N -0.807 122.048 122.820 0.057 0.000 2.024 173 A HA 0.110 4.477 4.320 0.077 0.000 0.220 173 A C 2.203 179.820 177.584 0.056 0.000 1.164 173 A CA 2.002 54.090 52.037 0.085 0.000 0.643 173 A CB -0.418 18.648 19.000 0.109 0.000 0.806 173 A HN 1.122 nan 8.150 nan 0.000 0.451 174 G N -0.154 108.662 108.800 0.026 0.000 3.371 174 G HA2 0.339 4.346 3.960 0.077 0.000 0.248 174 G HA3 0.339 4.346 3.960 0.077 0.000 0.248 174 G C 0.655 175.557 174.900 0.003 0.000 1.161 174 G CA 0.623 45.725 45.100 0.004 0.000 0.796 174 G HN 0.638 nan 8.290 nan 0.000 0.539 175 S N -0.231 115.481 115.700 0.020 0.000 2.655 175 S HA 0.739 5.255 4.470 0.077 0.000 0.265 175 S C 0.485 175.102 174.600 0.028 0.000 1.240 175 S CA -0.130 58.080 58.200 0.017 0.000 0.986 175 S CB 1.608 64.823 63.200 0.024 0.000 0.985 175 S HN 0.535 nan 8.310 nan 0.000 0.562 176 A N 0.124 122.957 122.820 0.022 0.000 2.304 176 A HA 0.435 4.802 4.320 0.077 0.000 0.271 176 A C 0.606 178.218 177.584 0.046 0.000 1.091 176 A CA -0.586 51.461 52.037 0.017 0.000 0.812 176 A CB -0.058 18.935 19.000 -0.013 0.000 1.056 176 A HN 0.860 nan 8.150 nan 0.000 0.489 177 D N 0.321 120.736 120.400 0.025 0.000 2.120 177 D HA -0.057 4.629 4.640 0.077 0.000 0.202 177 D C 1.580 177.885 176.300 0.009 0.000 0.972 177 D CA 2.229 56.259 54.000 0.051 0.000 0.837 177 D CB -0.237 40.544 40.800 -0.032 0.000 0.989 177 D HN 0.673 nan 8.370 nan 0.000 0.469 178 T N -0.070 114.404 114.554 -0.134 0.000 3.332 178 T HA 0.287 4.684 4.350 0.077 0.000 0.246 178 T C 0.850 175.557 174.700 0.011 0.000 0.943 178 T CA -0.560 61.468 62.100 -0.121 0.000 0.922 178 T CB -0.930 67.766 68.868 -0.287 0.000 1.086 178 T HN -0.080 nan 8.240 nan 0.000 0.590 179 V N -1.269 118.700 119.914 0.091 0.000 3.319 179 V HA 0.454 4.620 4.120 0.077 0.000 0.303 179 V C 0.678 176.923 176.094 0.251 0.000 1.094 179 V CA -1.452 60.947 62.300 0.166 0.000 1.106 179 V CB 0.461 32.370 31.823 0.143 0.000 1.099 179 V HN 0.549 nan 8.190 nan 0.000 0.476 180 R N 1.524 122.217 120.500 0.321 0.000 2.216 180 R HA 0.493 4.879 4.340 0.077 0.000 0.332 180 R C -1.011 175.382 176.300 0.155 0.000 1.056 180 R CA -0.072 56.173 56.100 0.241 0.000 0.901 180 R CB 0.162 30.542 30.300 0.132 0.000 1.039 180 R HN 1.063 nan 8.270 nan 0.000 0.456 181 D N 3.355 123.860 120.400 0.174 0.000 2.755 181 D HA 0.171 4.857 4.640 0.077 0.000 0.277 181 D C -0.641 175.790 176.300 0.218 0.000 1.261 181 D CA -0.610 53.490 54.000 0.167 0.000 0.759 181 D CB 1.187 42.083 40.800 0.159 0.000 1.279 181 D HN 0.232 nan 8.370 nan 0.000 0.420 182 I N 1.251 121.973 120.570 0.255 0.000 2.882 182 I HA 0.271 4.487 4.170 0.077 0.000 0.286 182 I C 0.804 177.071 176.117 0.250 0.000 1.139 182 I CA -0.097 61.356 61.300 0.256 0.000 1.379 182 I CB 0.187 38.376 38.000 0.314 0.000 1.410 182 I HN 0.262 nan 8.210 nan 0.000 0.594 183 R N 2.331 122.976 120.500 0.241 0.000 2.637 183 R HA 0.582 4.969 4.340 0.077 0.000 0.291 183 R C -0.127 176.291 176.300 0.197 0.000 0.963 183 R CA -0.765 55.477 56.100 0.237 0.000 0.901 183 R CB 1.560 32.022 30.300 0.271 0.000 1.160 183 R HN 0.811 nan 8.270 nan 0.000 0.457 184 G N 0.821 109.701 108.800 0.132 0.000 2.412 184 G HA2 0.534 4.541 3.960 0.077 0.000 0.318 184 G HA3 0.534 4.541 3.960 0.077 0.000 0.318 184 G C -1.339 173.590 174.900 0.049 0.000 1.146 184 G CA -0.079 45.067 45.100 0.076 0.000 0.882 184 G HN 0.349 nan 8.290 nan 0.000 0.501 185 F N 1.689 121.523 119.950 -0.194 0.000 3.094 185 F HA 0.628 5.201 4.527 0.076 0.000 0.385 185 F C -0.283 175.233 175.800 -0.474 0.000 1.231 185 F CA -1.854 55.943 58.000 -0.337 0.000 1.207 185 F CB 0.890 39.809 39.000 -0.136 0.000 1.703 185 F HN 0.660 nan 8.300 nan 0.000 0.610 186 A N 3.234 125.786 122.820 -0.447 0.000 2.303 186 A HA 0.767 5.133 4.320 0.077 0.000 0.320 186 A C -0.501 176.580 177.584 -0.839 0.000 1.192 186 A CA -0.403 51.181 52.037 -0.755 0.000 0.821 186 A CB 0.730 18.941 19.000 -1.316 0.000 1.188 186 A HN 0.506 nan 8.150 nan 0.000 0.492 187 T N 2.447 116.675 114.554 -0.544 0.000 2.792 187 T HA 0.399 4.795 4.350 0.077 0.000 0.280 187 T C -0.306 174.161 174.700 -0.388 0.000 0.990 187 T CA -0.462 61.336 62.100 -0.504 0.000 0.960 187 T CB 1.033 69.559 68.868 -0.570 0.000 0.939 187 T HN 0.640 nan 8.240 nan 0.000 0.439 188 K N 3.518 123.787 120.400 -0.220 0.000 2.263 188 K HA 0.455 4.821 4.320 0.077 0.000 0.272 188 K C -1.294 174.951 176.600 -0.591 0.000 1.033 188 K CA -0.603 55.498 56.287 -0.309 0.000 0.884 188 K CB 0.407 32.734 32.500 -0.289 0.000 1.107 188 K HN 0.391 nan 8.250 nan 0.000 0.460 189 F N 4.289 123.953 119.950 -0.476 0.000 2.391 189 F HA 0.245 4.817 4.527 0.076 0.000 0.359 189 F C -0.453 175.126 175.800 -0.369 0.000 1.122 189 F CA -0.585 57.197 58.000 -0.363 0.000 1.120 189 F CB 0.705 39.426 39.000 -0.464 0.000 1.142 189 F HN 0.437 nan 8.300 nan 0.000 0.483 190 Y N 1.784 122.156 120.300 0.120 0.000 2.691 190 Y HA 0.246 4.842 4.550 0.077 0.000 0.338 190 Y C 0.959 176.924 175.900 0.109 0.000 1.148 190 Y CA -0.905 57.243 58.100 0.081 0.000 1.430 190 Y CB -0.059 38.438 38.460 0.061 0.000 1.303 190 Y HN 0.547 nan 8.280 nan 0.000 0.499 191 T N -2.316 112.337 114.554 0.164 0.000 2.874 191 T HA 0.185 4.582 4.350 0.077 0.000 0.281 191 T C 1.004 175.795 174.700 0.152 0.000 0.994 191 T CA -0.705 61.495 62.100 0.167 0.000 1.015 191 T CB 1.132 70.070 68.868 0.116 0.000 1.028 191 T HN 0.651 nan 8.240 nan 0.000 0.523 192 E N 0.146 120.439 120.200 0.155 0.000 2.338 192 E HA -0.062 4.334 4.350 0.077 0.000 0.197 192 E C 1.065 177.729 176.600 0.106 0.000 1.007 192 E CA 0.809 57.284 56.400 0.124 0.000 0.849 192 E CB 0.118 29.888 29.700 0.117 0.000 0.774 192 E HN 0.740 nan 8.360 nan 0.000 0.506 193 E N 0.148 120.413 120.200 0.108 0.000 2.569 193 E HA 0.263 4.659 4.350 0.077 0.000 0.205 193 E C 0.118 176.761 176.600 0.073 0.000 1.006 193 E CA -0.212 56.243 56.400 0.092 0.000 0.985 193 E CB 1.263 31.020 29.700 0.095 0.000 1.060 193 E HN 0.174 nan 8.360 nan 0.000 0.460 194 G N 1.169 110.006 108.800 0.062 0.000 2.406 194 G HA2 -0.104 3.902 3.960 0.077 0.000 0.680 194 G HA3 -0.104 3.902 3.960 0.077 0.000 0.680 194 G C -0.806 174.093 174.900 -0.001 0.000 1.338 194 G CA -1.121 43.991 45.100 0.019 0.000 0.941 194 G HN 0.023 nan 8.290 nan 0.000 0.633 195 I N 0.532 121.064 120.570 -0.063 0.000 2.588 195 I HA 0.401 4.618 4.170 0.077 0.000 0.283 195 I C 0.073 176.184 176.117 -0.012 0.000 1.119 195 I CA 0.118 61.358 61.300 -0.101 0.000 1.419 195 I CB 0.907 38.782 38.000 -0.209 0.000 1.394 195 I HN 0.483 nan 8.210 nan 0.000 0.562 196 F N 6.248 126.086 119.950 -0.186 0.000 2.460 196 F HA 0.442 5.014 4.527 0.075 0.000 0.341 196 F C -0.771 175.002 175.800 -0.045 0.000 1.130 196 F CA -1.231 56.653 58.000 -0.193 0.000 0.962 196 F CB 0.834 39.539 39.000 -0.492 0.000 1.171 196 F HN 0.338 nan 8.300 nan 0.000 0.436 197 D N 6.905 127.090 120.400 -0.359 0.000 2.280 197 D HA 0.253 4.940 4.640 0.077 0.000 0.236 197 D C -0.649 175.153 176.300 -0.830 0.000 1.082 197 D CA -0.012 53.730 54.000 -0.430 0.000 0.834 197 D CB 2.491 43.252 40.800 -0.066 0.000 1.100 197 D HN 0.653 nan 8.370 nan 0.000 0.486 198 L N 3.120 123.827 121.223 -0.860 0.000 2.272 198 L HA 0.276 4.662 4.340 0.077 0.000 0.284 198 L C -1.009 175.652 176.870 -0.349 0.000 1.045 198 L CA -0.635 53.795 54.840 -0.683 0.000 0.842 198 L CB 0.630 42.330 42.059 -0.599 0.000 1.224 198 L HN 0.051 nan 8.230 nan 0.000 0.430 199 V N 5.400 125.171 119.914 -0.238 0.000 2.270 199 V HA 0.560 4.726 4.120 0.077 0.000 0.263 199 V C 0.763 176.811 176.094 -0.075 0.000 1.066 199 V CA -0.266 61.919 62.300 -0.192 0.000 0.857 199 V CB 0.394 32.097 31.823 -0.200 0.000 1.099 199 V HN 0.830 nan 8.190 nan 0.000 0.476 200 G N 3.376 112.132 108.800 -0.074 0.000 3.108 200 G HA2 0.667 4.674 3.960 0.077 0.000 0.268 200 G HA3 0.667 4.674 3.960 0.077 0.000 0.268 200 G C -0.990 173.941 174.900 0.052 0.000 1.361 200 G CA -0.638 44.461 45.100 -0.001 0.000 1.047 200 G HN 0.471 nan 8.290 nan 0.000 0.540 201 N N -0.851 117.910 118.700 0.102 0.000 2.701 201 N HA 0.253 5.040 4.740 0.077 0.000 0.290 201 N C 0.408 176.069 175.510 0.251 0.000 1.338 201 N CA -0.743 52.406 53.050 0.164 0.000 0.799 201 N CB 1.318 39.883 38.487 0.130 0.000 1.491 201 N HN 0.534 nan 8.380 nan 0.000 0.540 202 N N -1.339 117.522 118.700 0.268 0.000 2.322 202 N HA -0.013 4.773 4.740 0.077 0.000 0.194 202 N C -0.548 175.189 175.510 0.379 0.000 1.126 202 N CA -0.030 53.226 53.050 0.344 0.000 0.845 202 N CB -0.149 38.527 38.487 0.314 0.000 0.976 202 N HN 0.541 nan 8.380 nan 0.000 0.475 203 T N -3.388 111.241 114.554 0.124 0.000 2.900 203 T HA 0.426 4.822 4.350 0.077 0.000 0.295 203 T C -2.535 171.635 174.700 -0.883 0.000 1.044 203 T CA -1.656 60.146 62.100 -0.497 0.000 0.995 203 T CB 2.960 71.436 68.868 -0.654 0.000 1.072 203 T HN -0.258 nan 8.240 nan 0.000 0.473 204 P HA 0.134 nan 4.420 nan 0.000 0.242 204 P C 0.464 177.226 177.300 -0.897 0.000 1.197 204 P CA 0.240 62.407 63.100 -1.556 0.000 0.765 204 P CB -0.123 30.546 31.700 -1.719 0.000 0.936 205 I N -4.552 115.480 120.570 -0.898 0.000 3.174 205 I HA 0.542 4.758 4.170 0.077 0.000 0.313 205 I C -1.250 174.585 176.117 -0.469 0.000 1.155 205 I CA -2.156 58.768 61.300 -0.627 0.000 0.977 205 I CB 1.369 38.967 38.000 -0.669 0.000 1.248 205 I HN -0.246 nan 8.210 nan 0.000 0.453 206 F N 0.975 120.652 119.950 -0.456 0.000 2.572 206 F HA 0.513 5.088 4.527 0.080 0.000 0.342 206 F C 0.387 175.963 175.800 -0.372 0.000 1.064 206 F CA -0.686 57.092 58.000 -0.370 0.000 1.008 206 F CB 1.703 40.602 39.000 -0.168 0.000 1.303 206 F HN 0.392 nan 8.300 nan 0.000 0.492 207 F N 2.153 121.237 119.950 -1.444 0.000 2.259 207 F HA 0.022 4.595 4.527 0.076 0.000 0.298 207 F C 0.733 176.216 175.800 -0.528 0.000 1.088 207 F CA 0.882 58.283 58.000 -0.999 0.000 1.358 207 F CB -0.240 37.825 39.000 -1.558 0.000 1.040 207 F HN 0.146 nan 8.300 nan 0.000 0.505 208 I N -3.347 117.166 120.570 -0.094 0.000 3.067 208 I HA 0.379 4.595 4.170 0.077 0.000 0.312 208 I C 0.469 176.722 176.117 0.226 0.000 1.073 208 I CA -0.858 60.516 61.300 0.124 0.000 1.016 208 I CB 1.740 39.877 38.000 0.228 0.000 1.227 208 I HN -0.158 nan 8.210 nan 0.000 0.456 209 Q N 0.077 120.015 119.800 0.231 0.000 2.324 209 Q HA 0.129 4.515 4.340 0.077 0.000 0.207 209 Q C -0.280 175.892 176.000 0.286 0.000 0.928 209 Q CA 0.576 56.554 55.803 0.292 0.000 0.890 209 Q CB 0.464 29.439 28.738 0.396 0.000 1.001 209 Q HN 0.646 nan 8.270 nan 0.000 0.517 210 D N -0.946 119.596 120.400 0.237 0.000 2.362 210 D HA 0.305 4.991 4.640 0.077 0.000 0.247 210 D C 0.079 176.505 176.300 0.210 0.000 1.050 210 D CA -0.218 53.894 54.000 0.187 0.000 0.839 210 D CB 1.836 42.720 40.800 0.140 0.000 1.283 210 D HN 0.064 nan 8.370 nan 0.000 0.477 211 A N 3.406 126.320 122.820 0.157 0.000 2.076 211 A HA -0.242 4.124 4.320 0.077 0.000 0.220 211 A C 1.791 179.488 177.584 0.189 0.000 1.160 211 A CA 1.670 53.790 52.037 0.138 0.000 0.653 211 A CB -0.771 18.254 19.000 0.042 0.000 0.801 211 A HN 0.813 nan 8.150 nan 0.000 0.455 212 H N -0.010 119.117 119.070 0.095 0.000 2.457 212 H HA -0.006 4.595 4.556 0.075 0.000 0.297 212 H C 1.556 176.957 175.328 0.122 0.000 1.092 212 H CA 1.876 57.972 56.048 0.080 0.000 1.309 212 H CB 0.053 29.840 29.762 0.042 0.000 1.382 212 H HN 0.402 nan 8.280 nan 0.000 0.535 213 K N -0.615 119.894 120.400 0.182 0.000 2.404 213 K HA -0.028 4.339 4.320 0.077 0.000 0.194 213 K C 1.329 178.047 176.600 0.196 0.000 1.023 213 K CA -0.085 56.305 56.287 0.172 0.000 1.094 213 K CB 0.067 32.727 32.500 0.268 0.000 0.841 213 K HN 0.276 nan 8.250 nan 0.000 0.523 214 F N 2.905 122.893 119.950 0.063 0.000 2.043 214 F HA -0.188 4.385 4.527 0.078 0.000 0.297 214 F C -0.982 174.809 175.800 -0.015 0.000 1.121 214 F CA 1.623 59.679 58.000 0.093 0.000 1.199 214 F CB -0.561 38.474 39.000 0.057 0.000 0.968 214 F HN 0.029 nan 8.300 nan 0.000 0.478 215 P HA -0.164 nan 4.420 nan 0.000 0.216 215 P C 1.033 177.977 177.300 -0.594 0.000 1.150 215 P CA 1.947 64.782 63.100 -0.442 0.000 0.837 215 P CB -0.089 31.388 31.700 -0.372 0.000 0.786 216 D N -1.334 118.873 120.400 -0.322 0.000 2.084 216 D HA -0.167 4.519 4.640 0.077 0.000 0.194 216 D C 1.827 177.823 176.300 -0.506 0.000 0.990 216 D CA 1.081 54.936 54.000 -0.241 0.000 0.826 216 D CB -0.952 39.872 40.800 0.039 0.000 0.971 216 D HN 0.151 nan 8.370 nan 0.000 0.453 217 F N 1.877 121.422 119.950 -0.674 0.000 2.069 217 F HA -0.247 4.325 4.527 0.076 0.000 0.298 217 F C 2.275 177.681 175.800 -0.656 0.000 1.113 217 F CA 1.279 58.697 58.000 -0.969 0.000 1.214 217 F CB -0.236 38.428 39.000 -0.560 0.000 0.978 217 F HN -0.234 nan 8.300 nan 0.000 0.474 218 V N 0.293 119.758 119.914 -0.748 0.000 2.407 218 V HA -0.332 3.835 4.120 0.077 0.000 0.248 218 V C 2.269 178.146 176.094 -0.362 0.000 1.055 218 V CA 2.399 64.313 62.300 -0.644 0.000 1.049 218 V CB -1.143 30.332 31.823 -0.580 0.000 0.662 218 V HN 0.489 nan 8.190 nan 0.000 0.455 219 H N -0.090 118.747 119.070 -0.387 0.000 2.353 219 H HA -0.134 4.469 4.556 0.077 0.000 0.300 219 H C 2.347 177.530 175.328 -0.242 0.000 1.090 219 H CA 1.090 56.991 56.048 -0.244 0.000 1.327 219 H CB 0.036 29.698 29.762 -0.167 0.000 1.383 219 H HN 0.488 nan 8.280 nan 0.000 0.508 220 A N 0.387 123.045 122.820 -0.270 0.000 1.930 220 A HA -0.105 4.262 4.320 0.077 0.000 0.217 220 A C 2.484 179.942 177.584 -0.210 0.000 1.175 220 A CA 1.365 53.243 52.037 -0.266 0.000 0.627 220 A CB -0.627 18.086 19.000 -0.478 0.000 0.815 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.301 119.369 119.914 -0.405 0.000 2.878 221 V HA 0.017 4.184 4.120 0.077 0.000 0.250 221 V C 0.857 176.936 176.094 -0.026 0.000 1.075 221 V CA 0.696 62.846 62.300 -0.250 0.000 1.096 221 V CB -0.442 31.030 31.823 -0.585 0.000 0.724 221 V HN 0.328 nan 8.190 nan 0.000 0.467 222 K N 1.122 121.463 120.400 -0.099 0.000 2.187 222 K HA 0.205 4.572 4.320 0.077 0.000 0.247 222 K C -2.302 174.257 176.600 -0.069 0.000 1.019 222 K CA -1.603 54.639 56.287 -0.074 0.000 0.893 222 K CB -0.427 32.024 32.500 -0.081 0.000 1.025 222 K HN 0.162 nan 8.250 nan 0.000 0.500 223 P HA -0.037 nan 4.420 nan 0.000 0.264 223 P C -0.601 176.655 177.300 -0.074 0.000 1.183 223 P CA 0.456 63.437 63.100 -0.197 0.000 0.763 223 P CB 0.286 31.879 31.700 -0.178 0.000 0.807 224 E N 5.858 126.066 120.200 0.012 0.000 2.414 224 E HA -0.027 4.370 4.350 0.077 0.000 0.263 224 E C -1.150 175.545 176.600 0.157 0.000 1.000 224 E CA -1.232 55.287 56.400 0.198 0.000 0.914 224 E CB 0.108 30.068 29.700 0.435 0.000 0.948 224 E HN 0.429 nan 8.360 nan 0.000 0.444 225 P HA -0.246 nan 4.420 nan 0.000 0.218 225 P C 1.046 178.419 177.300 0.123 0.000 1.148 225 P CA 1.563 64.709 63.100 0.078 0.000 0.822 225 P CB -0.016 31.702 31.700 0.030 0.000 0.784 226 H N -0.918 118.179 119.070 0.045 0.000 2.333 226 H HA -0.084 4.518 4.556 0.077 0.000 0.302 226 H C 1.583 177.003 175.328 0.153 0.000 1.075 226 H CA 1.468 57.532 56.048 0.026 0.000 1.348 226 H CB -1.450 28.256 29.762 -0.093 0.000 1.393 226 H HN 0.316 nan 8.280 nan 0.000 0.509 227 W N 0.144 120.994 121.300 -0.749 0.000 3.008 227 W HA 0.704 5.410 4.660 0.076 0.000 0.355 227 W C 0.437 176.779 176.519 -0.295 0.000 1.095 227 W CA -1.272 55.811 57.345 -0.436 0.000 1.738 227 W CB -0.833 28.353 29.460 -0.457 0.000 1.091 227 W HN 0.450 nan 8.180 nan 0.000 0.574 228 A N 1.254 124.059 122.820 -0.025 0.000 2.610 228 A HA -0.144 4.222 4.320 0.077 0.000 0.299 228 A C -0.440 176.942 177.584 -0.336 0.000 1.487 228 A CA 1.409 53.363 52.037 -0.139 0.000 0.743 228 A CB -2.378 16.558 19.000 -0.106 0.000 1.070 228 A HN 0.483 nan 8.150 nan 0.000 0.439 229 I N 0.705 120.958 120.570 -0.528 0.000 2.686 229 I HA 0.559 4.775 4.170 0.077 0.000 0.295 229 I C -2.490 173.348 176.117 -0.466 0.000 1.114 229 I CA -2.316 58.546 61.300 -0.730 0.000 1.038 229 I CB 3.077 40.119 38.000 -1.596 0.000 1.238 229 I HN 0.241 nan 8.210 nan 0.000 0.420 230 P HA 0.331 nan 4.420 nan 0.000 0.292 230 P C -1.644 175.500 177.300 -0.260 0.000 1.308 230 P CA -0.865 62.020 63.100 -0.357 0.000 0.933 230 P CB 1.683 33.244 31.700 -0.232 0.000 1.217 231 Q N 0.542 120.235 119.800 -0.178 0.000 2.261 231 Q HA 0.488 4.874 4.340 0.077 0.000 0.252 231 Q C 1.047 177.016 176.000 -0.051 0.000 0.915 231 Q CA 0.927 56.663 55.803 -0.111 0.000 0.915 231 Q CB -0.313 28.369 28.738 -0.093 0.000 1.204 231 Q HN 0.813 nan 8.270 nan 0.000 0.421 232 G N 3.159 111.943 108.800 -0.028 0.000 2.283 232 G HA2 -0.300 3.706 3.960 0.077 0.000 0.280 232 G HA3 -0.300 3.706 3.960 0.077 0.000 0.280 232 G C -0.400 174.528 174.900 0.046 0.000 1.029 232 G CA 0.681 45.792 45.100 0.019 0.000 0.840 232 G HN 0.544 nan 8.290 nan 0.000 0.505 233 Q N -1.304 118.510 119.800 0.024 0.000 2.309 233 Q HA 0.544 4.930 4.340 0.077 0.000 0.273 233 Q C 0.736 176.768 176.000 0.052 0.000 1.040 233 Q CA -0.128 55.718 55.803 0.072 0.000 0.834 233 Q CB 1.766 30.582 28.738 0.130 0.000 1.345 233 Q HN 0.441 nan 8.270 nan 0.000 0.414 234 S N -0.632 115.023 115.700 -0.075 0.000 2.556 234 S HA 0.217 4.733 4.470 0.077 0.000 0.216 234 S C 0.873 175.482 174.600 0.015 0.000 0.970 234 S CA 0.001 57.950 58.200 -0.418 0.000 0.912 234 S CB 0.436 62.826 63.200 -1.350 0.000 0.790 234 S HN 0.584 nan 8.310 nan 0.000 0.504 235 A N 2.426 125.428 122.820 0.303 0.000 3.048 235 A HA 0.513 4.879 4.320 0.077 0.000 0.264 235 A C 0.091 177.928 177.584 0.422 0.000 1.796 235 A CA -0.563 51.727 52.037 0.422 0.000 1.445 235 A CB -1.274 17.890 19.000 0.273 0.000 1.074 235 A HN 0.883 nan 8.150 nan 0.000 0.621 236 H N -3.501 115.778 119.070 0.349 0.000 3.017 236 H HA 0.507 5.109 4.556 0.077 0.000 0.346 236 H C -0.215 175.316 175.328 0.339 0.000 1.286 236 H CA -0.814 55.396 56.048 0.270 0.000 1.120 236 H CB 0.379 30.267 29.762 0.209 0.000 1.860 236 H HN 0.085 nan 8.280 nan 0.000 0.542 237 D N 0.353 120.914 120.400 0.269 0.000 2.116 237 D HA -0.231 4.455 4.640 0.077 0.000 0.193 237 D C 2.140 178.488 176.300 0.081 0.000 0.998 237 D CA 3.242 57.337 54.000 0.159 0.000 0.836 237 D CB -0.377 40.497 40.800 0.123 0.000 0.951 237 D HN 0.793 nan 8.370 nan 0.000 0.449 238 T N -1.514 113.076 114.554 0.061 0.000 2.759 238 T HA -0.232 4.165 4.350 0.077 0.000 0.269 238 T C 1.906 176.532 174.700 -0.123 0.000 1.042 238 T CA 0.861 62.966 62.100 0.008 0.000 1.140 238 T CB -0.787 68.144 68.868 0.105 0.000 0.864 238 T HN 0.162 nan 8.240 nan 0.000 0.455 239 F N 0.932 120.564 119.950 -0.531 0.000 2.075 239 F HA 0.044 4.617 4.527 0.076 0.000 0.297 239 F C 1.936 177.470 175.800 -0.443 0.000 1.113 239 F CA 0.926 58.561 58.000 -0.607 0.000 1.218 239 F CB -0.624 37.850 39.000 -0.875 0.000 0.984 239 F HN 0.151 nan 8.300 nan 0.000 0.472 240 W N 0.586 121.831 121.300 -0.093 0.000 2.425 240 W HA -0.113 4.595 4.660 0.079 0.000 0.277 240 W C 2.314 178.761 176.519 -0.121 0.000 1.231 240 W CA 1.089 58.374 57.345 -0.101 0.000 1.248 240 W CB -0.688 28.785 29.460 0.022 0.000 1.117 240 W HN 0.091 nan 8.180 nan 0.000 0.568 241 D N -0.595 119.841 120.400 0.058 0.000 2.078 241 D HA -0.294 4.393 4.640 0.077 0.000 0.193 241 D C 1.912 178.208 176.300 -0.008 0.000 0.990 241 D CA 1.544 55.565 54.000 0.035 0.000 0.827 241 D CB -0.635 40.194 40.800 0.048 0.000 0.975 241 D HN 0.190 nan 8.370 nan 0.000 0.451 242 Y N 0.470 120.658 120.300 -0.188 0.000 2.128 242 Y HA -0.201 4.395 4.550 0.077 0.000 0.284 242 Y C 2.265 178.019 175.900 -0.243 0.000 1.154 242 Y CA 1.591 59.566 58.100 -0.208 0.000 1.149 242 Y CB -0.435 37.869 38.460 -0.260 0.000 0.976 242 Y HN -0.100 nan 8.280 nan 0.000 0.505 243 V N 0.203 119.963 119.914 -0.255 0.000 2.332 243 V HA -0.343 3.823 4.120 0.077 0.000 0.248 243 V C 2.624 178.637 176.094 -0.135 0.000 1.055 243 V CA 2.227 64.368 62.300 -0.266 0.000 1.038 243 V CB -1.222 30.338 31.823 -0.438 0.000 0.651 243 V HN 0.676 nan 8.190 nan 0.000 0.450 244 S N -0.191 115.481 115.700 -0.047 0.000 2.419 244 S HA -0.078 4.439 4.470 0.077 0.000 0.233 244 S C 1.715 176.273 174.600 -0.071 0.000 1.016 244 S CA 1.413 59.614 58.200 0.002 0.000 0.974 244 S CB -0.455 62.781 63.200 0.060 0.000 0.786 244 S HN 0.559 nan 8.310 nan 0.000 0.492 245 L N 0.053 121.185 121.223 -0.152 0.000 2.585 245 L HA 0.317 4.704 4.340 0.077 0.000 0.226 245 L C 0.523 177.214 176.870 -0.299 0.000 1.113 245 L CA 0.126 54.853 54.840 -0.187 0.000 0.876 245 L CB 0.040 41.997 42.059 -0.170 0.000 1.072 245 L HN 0.253 nan 8.230 nan 0.000 0.468 246 Q N 0.370 119.937 119.800 -0.388 0.000 3.244 246 Q HA 0.226 4.613 4.340 0.077 0.000 0.249 246 Q C -1.939 173.817 176.000 -0.407 0.000 0.951 246 Q CA -1.427 54.098 55.803 -0.464 0.000 0.740 246 Q CB 1.454 29.796 28.738 -0.661 0.000 1.334 246 Q HN -0.001 nan 8.270 nan 0.000 0.448 247 P HA -0.232 nan 4.420 nan 0.000 0.223 247 P C 0.959 177.950 177.300 -0.515 0.000 1.144 247 P CA 1.173 64.007 63.100 -0.443 0.000 0.783 247 P CB 0.265 31.683 31.700 -0.470 0.000 0.771 248 E N 0.718 120.502 120.200 -0.694 0.000 2.265 248 E HA -0.167 4.230 4.350 0.077 0.000 0.196 248 E C 1.529 178.080 176.600 -0.082 0.000 0.996 248 E CA 1.800 58.053 56.400 -0.244 0.000 0.832 248 E CB -1.231 28.389 29.700 -0.133 0.000 0.756 248 E HN 0.286 nan 8.360 nan 0.000 0.491 249 T N -0.597 113.905 114.554 -0.086 0.000 3.035 249 T HA 0.011 4.408 4.350 0.077 0.000 0.268 249 T C 1.962 176.713 174.700 0.083 0.000 1.109 249 T CA 0.436 62.549 62.100 0.022 0.000 1.119 249 T CB -0.348 68.565 68.868 0.074 0.000 0.900 249 T HN 0.148 nan 8.240 nan 0.000 0.503 250 L N 0.115 121.394 121.223 0.093 0.000 2.079 250 L HA -0.117 4.270 4.340 0.077 0.000 0.210 250 L C 2.852 179.880 176.870 0.264 0.000 1.081 250 L CA 1.910 56.876 54.840 0.210 0.000 0.752 250 L CB -0.800 41.393 42.059 0.223 0.000 0.896 250 L HN 0.483 nan 8.230 nan 0.000 0.433 251 H N -0.053 119.054 119.070 0.063 0.000 2.293 251 H HA -0.201 4.401 4.556 0.077 0.000 0.300 251 H C 2.195 177.512 175.328 -0.018 0.000 1.082 251 H CA 1.771 57.854 56.048 0.059 0.000 1.308 251 H CB 0.224 29.984 29.762 -0.004 0.000 1.375 251 H HN 0.366 nan 8.280 nan 0.000 0.495 252 N N -0.113 118.411 118.700 -0.294 0.000 2.244 252 N HA -0.127 4.660 4.740 0.077 0.000 0.183 252 N C 1.961 177.274 175.510 -0.328 0.000 1.016 252 N CA 0.731 53.382 53.050 -0.665 0.000 0.866 252 N CB 0.281 37.916 38.487 -1.420 0.000 0.980 252 N HN 0.120 nan 8.380 nan 0.000 0.430 253 V N 1.818 121.748 119.914 0.027 0.000 2.287 253 V HA -0.277 3.890 4.120 0.077 0.000 0.248 253 V C 2.537 178.759 176.094 0.214 0.000 1.053 253 V CA 1.338 63.811 62.300 0.287 0.000 1.027 253 V CB -0.391 31.669 31.823 0.394 0.000 0.646 253 V HN 0.394 nan 8.190 nan 0.000 0.447 254 M N -1.606 118.164 119.600 0.284 0.000 2.082 254 M HA -0.236 4.290 4.480 0.077 0.000 0.258 254 M C 2.076 178.382 176.300 0.009 0.000 1.069 254 M CA 1.971 57.442 55.300 0.286 0.000 1.102 254 M CB -1.353 31.448 32.600 0.335 0.000 1.336 254 M HN 0.475 nan 8.290 nan 0.000 0.404 255 W N 0.388 121.433 121.300 -0.425 0.000 2.358 255 W HA -0.106 4.601 4.660 0.079 0.000 0.303 255 W C 2.788 179.235 176.519 -0.120 0.000 1.208 255 W CA 1.937 58.999 57.345 -0.472 0.000 1.274 255 W CB -0.910 28.197 29.460 -0.588 0.000 1.138 255 W HN 0.309 nan 8.180 nan 0.000 0.515 256 A N -0.758 122.141 122.820 0.132 0.000 1.930 256 A HA -0.178 4.188 4.320 0.077 0.000 0.217 256 A C 1.939 179.579 177.584 0.093 0.000 1.175 256 A CA 1.658 53.780 52.037 0.141 0.000 0.627 256 A CB -0.580 18.538 19.000 0.197 0.000 0.815 256 A HN 0.092 nan 8.150 nan 0.000 0.443 257 M N 0.716 120.328 119.600 0.021 0.000 2.419 257 M HA 0.014 4.541 4.480 0.077 0.000 0.264 257 M C 1.508 177.849 176.300 0.067 0.000 1.082 257 M CA 0.836 56.091 55.300 -0.075 0.000 1.119 257 M CB -1.405 30.919 32.600 -0.461 0.000 1.398 257 M HN 0.546 nan 8.290 nan 0.000 0.453 258 S N 0.341 116.138 115.700 0.162 0.000 2.626 258 S HA 0.069 4.585 4.470 0.077 0.000 0.257 258 S C 0.752 175.482 174.600 0.218 0.000 1.288 258 S CA -0.405 57.931 58.200 0.227 0.000 0.980 258 S CB 0.868 64.245 63.200 0.295 0.000 0.975 258 S HN 0.192 nan 8.310 nan 0.000 0.577 259 D N 0.184 120.734 120.400 0.251 0.000 2.378 259 D HA 0.012 4.698 4.640 0.077 0.000 0.222 259 D C 1.845 178.295 176.300 0.250 0.000 0.980 259 D CA 0.396 54.568 54.000 0.286 0.000 0.907 259 D CB -0.156 40.886 40.800 0.404 0.000 0.899 259 D HN 0.396 nan 8.370 nan 0.000 0.527 260 R N 0.142 120.779 120.500 0.230 0.000 2.152 260 R HA -0.030 4.356 4.340 0.077 0.000 0.232 260 R C 2.054 178.510 176.300 0.260 0.000 1.117 260 R CA 0.895 57.152 56.100 0.261 0.000 0.981 260 R CB -0.643 29.870 30.300 0.355 0.000 0.870 260 R HN 0.168 nan 8.270 nan 0.000 0.451 261 G N 1.355 110.296 108.800 0.236 0.000 2.679 261 G HA2 -0.029 3.977 3.960 0.077 0.000 0.212 261 G HA3 -0.029 3.977 3.960 0.077 0.000 0.212 261 G C 1.007 176.050 174.900 0.239 0.000 1.137 261 G CA 0.108 45.341 45.100 0.221 0.000 0.787 261 G HN 0.408 nan 8.290 nan 0.000 0.534 262 I N -2.106 118.615 120.570 0.252 0.000 2.926 262 I HA 0.353 4.570 4.170 0.077 0.000 0.295 262 I C -2.853 173.419 176.117 0.258 0.000 1.463 262 I CA -2.605 58.852 61.300 0.262 0.000 0.892 262 I CB 1.830 39.988 38.000 0.263 0.000 1.874 262 I HN -0.258 nan 8.210 nan 0.000 0.620 263 P HA 0.048 nan 4.420 nan 0.000 0.269 263 P C 0.519 177.951 177.300 0.221 0.000 1.209 263 P CA -0.106 63.093 63.100 0.166 0.000 0.776 263 P CB 1.384 33.115 31.700 0.051 0.000 0.876 264 R N 2.172 122.794 120.500 0.203 0.000 2.115 264 R HA -0.004 4.382 4.340 0.077 0.000 0.230 264 R C 0.586 177.051 176.300 0.275 0.000 1.111 264 R CA 1.521 57.790 56.100 0.280 0.000 0.976 264 R CB -0.397 30.036 30.300 0.222 0.000 0.870 264 R HN 0.570 nan 8.270 nan 0.000 0.445 265 S N -3.006 112.664 115.700 -0.050 0.000 2.587 265 S HA 0.230 4.747 4.470 0.077 0.000 0.269 265 S C -0.433 173.887 174.600 -0.465 0.000 1.154 265 S CA -0.884 57.144 58.200 -0.287 0.000 0.824 265 S CB 0.191 63.332 63.200 -0.099 0.000 1.118 265 S HN 0.106 nan 8.310 nan 0.000 0.462 266 Y N 1.747 121.711 120.300 -0.560 0.000 2.509 266 Y HA 0.176 4.773 4.550 0.078 0.000 0.293 266 Y C 2.329 177.859 175.900 -0.616 0.000 1.133 266 Y CA 0.759 58.385 58.100 -0.789 0.000 1.283 266 Y CB -0.260 37.417 38.460 -1.306 0.000 1.001 266 Y HN 0.544 nan 8.280 nan 0.000 0.555 267 R N -0.635 119.735 120.500 -0.217 0.000 2.193 267 R HA -0.018 4.368 4.340 0.077 0.000 0.213 267 R C 1.062 177.316 176.300 -0.076 0.000 1.055 267 R CA 1.465 57.489 56.100 -0.127 0.000 0.995 267 R CB -0.253 29.973 30.300 -0.124 0.000 0.893 267 R HN 0.278 nan 8.270 nan 0.000 0.459 268 T N -1.541 112.985 114.554 -0.047 0.000 3.313 268 T HA 0.366 4.762 4.350 0.077 0.000 0.263 268 T C 0.143 174.876 174.700 0.056 0.000 0.983 268 T CA -0.671 61.431 62.100 0.002 0.000 0.963 268 T CB -0.106 68.752 68.868 -0.016 0.000 1.141 268 T HN 0.067 nan 8.240 nan 0.000 0.526 269 M N -1.165 118.505 119.600 0.116 0.000 2.619 269 M HA 0.728 5.255 4.480 0.077 0.000 0.297 269 M C -1.263 175.204 176.300 0.279 0.000 1.229 269 M CA -0.871 54.539 55.300 0.182 0.000 0.860 269 M CB 2.213 34.912 32.600 0.166 0.000 1.741 269 M HN -0.128 nan 8.290 nan 0.000 0.462 270 E N 0.434 120.793 120.200 0.267 0.000 2.314 270 E HA 0.676 5.072 4.350 0.077 0.000 0.262 270 E C -0.308 176.364 176.600 0.120 0.000 1.093 270 E CA -0.649 55.847 56.400 0.160 0.000 0.908 270 E CB 1.717 31.431 29.700 0.024 0.000 1.091 270 E HN 0.860 nan 8.360 nan 0.000 0.425 271 G N 0.711 109.429 108.800 -0.136 0.000 2.524 271 G HA2 0.630 4.636 3.960 0.077 0.000 0.310 271 G HA3 0.630 4.636 3.960 0.077 0.000 0.310 271 G C -1.494 173.034 174.900 -0.620 0.000 1.279 271 G CA -0.428 44.579 45.100 -0.155 0.000 0.974 271 G HN 0.266 nan 8.290 nan 0.000 0.484 272 F N -0.303 119.592 119.950 -0.093 0.000 2.608 272 F HA 0.507 5.080 4.527 0.076 0.000 0.309 272 F C 1.028 176.747 175.800 -0.135 0.000 1.103 272 F CA -0.486 57.382 58.000 -0.219 0.000 0.954 272 F CB 2.539 41.357 39.000 -0.303 0.000 1.267 272 F HN 0.606 nan 8.300 nan 0.000 0.444 273 G N 0.893 109.769 108.800 0.127 0.000 2.623 273 G HA2 0.151 4.158 3.960 0.077 0.000 0.214 273 G HA3 0.151 4.158 3.960 0.077 0.000 0.214 273 G C 1.220 176.197 174.900 0.129 0.000 1.138 273 G CA 0.804 46.038 45.100 0.224 0.000 0.794 273 G HN 0.788 nan 8.290 nan 0.000 0.535 274 I N -0.973 119.589 120.570 -0.014 0.000 4.519 274 I HA -0.320 3.896 4.170 0.077 0.000 0.056 274 I C 0.528 176.512 176.117 -0.221 0.000 0.610 274 I CA 1.517 62.681 61.300 -0.228 0.000 0.951 274 I CB -1.233 36.536 38.000 -0.384 0.000 0.858 274 I HN 0.271 nan 8.210 nan 0.000 0.164 275 H N 2.249 121.342 119.070 0.038 0.000 2.690 275 H HA 0.222 4.825 4.556 0.079 0.000 0.365 275 H C 0.124 175.392 175.328 -0.099 0.000 1.142 275 H CA 0.509 56.481 56.048 -0.126 0.000 1.417 275 H CB 0.290 29.802 29.762 -0.417 0.000 1.446 275 H HN 0.182 nan 8.280 nan 0.000 0.599 276 T N 3.967 118.491 114.554 -0.051 0.000 2.779 276 T HA 0.210 4.607 4.350 0.077 0.000 0.296 276 T C 0.308 174.942 174.700 -0.108 0.000 0.938 276 T CA 0.046 62.108 62.100 -0.063 0.000 1.119 276 T CB -0.224 68.564 68.868 -0.132 0.000 0.891 276 T HN 0.249 nan 8.240 nan 0.000 0.526 277 F N 1.445 121.355 119.950 -0.065 0.000 2.561 277 F HA 0.669 5.241 4.527 0.075 0.000 0.384 277 F C 1.093 176.854 175.800 -0.066 0.000 1.131 277 F CA -1.306 56.687 58.000 -0.012 0.000 1.133 277 F CB 1.257 40.246 39.000 -0.019 0.000 1.506 277 F HN 0.180 nan 8.300 nan 0.000 0.499 278 R N 0.418 120.982 120.500 0.107 0.000 2.750 278 R HA 0.635 5.022 4.340 0.077 0.000 0.281 278 R C -1.724 174.466 176.300 -0.184 0.000 0.972 278 R CA -0.863 55.164 56.100 -0.121 0.000 0.912 278 R CB 2.083 32.253 30.300 -0.217 0.000 1.187 278 R HN 0.421 nan 8.270 nan 0.000 0.464 279 L N 3.698 124.759 121.223 -0.271 0.000 2.307 279 L HA 0.545 4.932 4.340 0.077 0.000 0.284 279 L C -0.619 176.092 176.870 -0.265 0.000 1.023 279 L CA -0.930 53.757 54.840 -0.254 0.000 0.810 279 L CB 1.500 43.406 42.059 -0.256 0.000 1.231 279 L HN 0.376 nan 8.230 nan 0.000 0.423 280 I N 3.138 123.575 120.570 -0.222 0.000 2.418 280 I HA 0.271 4.487 4.170 0.077 0.000 0.287 280 I C -0.187 175.840 176.117 -0.150 0.000 1.008 280 I CA -0.685 60.488 61.300 -0.212 0.000 1.104 280 I CB 1.401 39.284 38.000 -0.195 0.000 1.264 280 I HN 0.624 nan 8.210 nan 0.000 0.438 281 N N 5.031 123.655 118.700 -0.126 0.000 2.476 281 N HA 0.358 5.145 4.740 0.077 0.000 0.287 281 N C 0.825 176.292 175.510 -0.071 0.000 1.262 281 N CA -0.353 52.644 53.050 -0.089 0.000 0.980 281 N CB 0.607 39.049 38.487 -0.074 0.000 1.163 281 N HN 0.511 nan 8.380 nan 0.000 0.592 282 A N -0.750 122.038 122.820 -0.054 0.000 2.067 282 A HA -0.076 4.291 4.320 0.077 0.000 0.219 282 A C 1.570 179.133 177.584 -0.035 0.000 1.158 282 A CA 1.151 53.162 52.037 -0.043 0.000 0.661 282 A CB -0.763 18.217 19.000 -0.032 0.000 0.801 282 A HN 0.793 nan 8.150 nan 0.000 0.452 283 E N -1.689 118.491 120.200 -0.033 0.000 2.489 283 E HA 0.286 4.682 4.350 0.077 0.000 0.193 283 E C 1.183 177.772 176.600 -0.017 0.000 1.057 283 E CA 0.673 57.059 56.400 -0.024 0.000 0.866 283 E CB 0.059 29.747 29.700 -0.021 0.000 0.916 283 E HN 0.690 nan 8.360 nan 0.000 0.500 284 G N 1.342 110.129 108.800 -0.022 0.000 2.176 284 G HA2 -0.325 3.681 3.960 0.077 0.000 0.232 284 G HA3 -0.325 3.681 3.960 0.077 0.000 0.232 284 G C 0.264 175.179 174.900 0.026 0.000 0.986 284 G CA 0.155 45.261 45.100 0.010 0.000 0.643 284 G HN 0.231 nan 8.290 nan 0.000 0.522 285 K N 0.990 121.366 120.400 -0.039 0.000 2.322 285 K HA 0.644 5.011 4.320 0.077 0.000 0.283 285 K C 0.568 177.029 176.600 -0.232 0.000 1.042 285 K CA 0.234 56.469 56.287 -0.086 0.000 0.958 285 K CB 0.557 33.009 32.500 -0.080 0.000 0.984 285 K HN 0.564 nan 8.250 nan 0.000 0.473 286 A N 3.412 125.985 122.820 -0.412 0.000 2.290 286 A HA 0.396 4.763 4.320 0.077 0.000 0.310 286 A C -0.753 176.513 177.584 -0.530 0.000 1.202 286 A CA -0.487 51.143 52.037 -0.678 0.000 0.837 286 A CB 1.065 19.254 19.000 -1.351 0.000 1.139 286 A HN 0.718 nan 8.150 nan 0.000 0.509 287 T N 2.591 116.864 114.554 -0.470 0.000 2.812 287 T HA 0.516 4.912 4.350 0.077 0.000 0.282 287 T C -0.620 173.847 174.700 -0.388 0.000 0.990 287 T CA -0.071 61.808 62.100 -0.368 0.000 0.960 287 T CB 0.350 69.092 68.868 -0.210 0.000 0.948 287 T HN 0.343 nan 8.240 nan 0.000 0.438 288 F N 2.248 122.102 119.950 -0.161 0.000 2.471 288 F HA 0.502 5.075 4.527 0.076 0.000 0.353 288 F C 0.586 176.262 175.800 -0.206 0.000 1.113 288 F CA -0.334 57.566 58.000 -0.167 0.000 1.262 288 F CB 0.642 39.564 39.000 -0.129 0.000 1.146 288 F HN 0.195 nan 8.300 nan 0.000 0.578 289 V N 4.772 124.641 119.914 -0.075 0.000 2.888 289 V HA 0.601 4.768 4.120 0.077 0.000 0.309 289 V C -1.001 174.870 176.094 -0.372 0.000 1.114 289 V CA -0.809 61.300 62.300 -0.318 0.000 0.940 289 V CB 2.166 33.587 31.823 -0.670 0.000 1.021 289 V HN 0.765 nan 8.190 nan 0.000 0.426 290 R N 4.707 125.035 120.500 -0.287 0.000 2.494 290 R HA 0.548 4.934 4.340 0.077 0.000 0.305 290 R C -1.619 174.611 176.300 -0.117 0.000 0.959 290 R CA -0.471 55.510 56.100 -0.198 0.000 0.864 290 R CB 1.919 32.225 30.300 0.011 0.000 1.159 290 R HN 0.584 nan 8.270 nan 0.000 0.446 291 F N 2.555 122.569 119.950 0.107 0.000 2.396 291 F HA 0.317 4.889 4.527 0.076 0.000 0.343 291 F C 0.947 176.699 175.800 -0.079 0.000 1.104 291 F CA -0.022 58.003 58.000 0.042 0.000 1.161 291 F CB 0.753 39.678 39.000 -0.124 0.000 1.146 291 F HN 0.206 nan 8.300 nan 0.000 0.522 292 H N 1.539 120.613 119.070 0.006 0.000 2.679 292 H HA 0.219 4.821 4.556 0.078 0.000 0.360 292 H C -1.500 173.597 175.328 -0.386 0.000 1.105 292 H CA -0.960 54.986 56.048 -0.170 0.000 1.196 292 H CB 1.757 31.515 29.762 -0.008 0.000 1.636 292 H HN 0.675 nan 8.280 nan 0.000 0.531 293 W N 2.695 123.889 121.300 -0.176 0.000 2.475 293 W HA 0.321 5.026 4.660 0.076 0.000 0.317 293 W C 0.095 176.650 176.519 0.059 0.000 1.046 293 W CA -0.757 56.542 57.345 -0.076 0.000 1.215 293 W CB 1.557 30.836 29.460 -0.302 0.000 1.335 293 W HN 0.264 nan 8.180 nan 0.000 0.471 294 K N 5.897 126.571 120.400 0.456 0.000 2.240 294 K HA 0.338 4.704 4.320 0.077 0.000 0.271 294 K C -2.352 174.467 176.600 0.365 0.000 1.018 294 K CA -1.935 54.553 56.287 0.335 0.000 0.874 294 K CB 1.285 33.933 32.500 0.245 0.000 1.098 294 K HN 0.056 nan 8.250 nan 0.000 0.458 295 P HA 0.030 nan 4.420 nan 0.000 0.276 295 P C 0.359 177.664 177.300 0.008 0.000 1.264 295 P CA 0.011 63.172 63.100 0.102 0.000 0.769 295 P CB 0.632 32.413 31.700 0.135 0.000 0.840 296 L N 2.650 123.822 121.223 -0.086 0.000 2.465 296 L HA -0.047 4.339 4.340 0.077 0.000 0.224 296 L C 2.099 178.945 176.870 -0.039 0.000 1.145 296 L CA 0.942 55.766 54.840 -0.027 0.000 0.834 296 L CB -0.568 41.484 42.059 -0.011 0.000 0.944 296 L HN 0.330 nan 8.230 nan 0.000 0.451 297 A N 0.016 122.788 122.820 -0.080 0.000 2.251 297 A HA 0.448 4.815 4.320 0.077 0.000 0.209 297 A C 1.259 178.840 177.584 -0.005 0.000 1.187 297 A CA 0.582 52.592 52.037 -0.045 0.000 0.823 297 A CB -0.311 18.646 19.000 -0.071 0.000 0.846 297 A HN 0.445 nan 8.150 nan 0.000 0.486 298 G N -0.493 108.317 108.800 0.017 0.000 2.757 298 G HA2 -0.146 3.860 3.960 0.077 0.000 0.638 298 G HA3 -0.146 3.860 3.960 0.077 0.000 0.638 298 G C -0.611 174.320 174.900 0.052 0.000 1.344 298 G CA -0.410 44.721 45.100 0.051 0.000 0.855 298 G HN 0.466 nan 8.290 nan 0.000 0.537 299 K N 0.167 120.606 120.400 0.065 0.000 2.183 299 K HA 0.720 5.086 4.320 0.077 0.000 0.274 299 K C 0.204 176.812 176.600 0.014 0.000 1.009 299 K CA 0.235 56.547 56.287 0.042 0.000 0.888 299 K CB 1.742 34.256 32.500 0.024 0.000 1.078 299 K HN 1.448 nan 8.250 nan 0.000 0.459 300 A N 1.742 124.555 122.820 -0.013 0.000 2.566 300 A HA 0.619 4.985 4.320 0.077 0.000 0.297 300 A C -1.167 176.464 177.584 0.078 0.000 1.059 300 A CA -0.676 51.307 52.037 -0.091 0.000 0.691 300 A CB 1.737 20.464 19.000 -0.455 0.000 1.282 300 A HN 0.509 nan 8.150 nan 0.000 0.401 301 S N 0.410 116.308 115.700 0.330 0.000 2.627 301 S HA 0.750 5.266 4.470 0.077 0.000 0.283 301 S C -0.161 174.739 174.600 0.499 0.000 1.127 301 S CA -0.613 57.814 58.200 0.378 0.000 0.863 301 S CB 1.217 64.636 63.200 0.365 0.000 1.121 301 S HN 0.658 nan 8.310 nan 0.000 0.479 302 L N 1.319 122.738 121.223 0.327 0.000 2.505 302 L HA 0.553 4.940 4.340 0.077 0.000 0.226 302 L C 0.033 177.024 176.870 0.202 0.000 1.211 302 L CA -0.784 54.178 54.840 0.203 0.000 0.828 302 L CB 0.173 42.266 42.059 0.056 0.000 1.331 302 L HN 0.497 nan 8.230 nan 0.000 0.513 303 V N -3.067 116.869 119.914 0.035 0.000 2.769 303 V HA 0.169 4.336 4.120 0.077 0.000 0.312 303 V C 0.740 176.795 176.094 -0.065 0.000 1.058 303 V CA -0.809 61.492 62.300 0.002 0.000 0.952 303 V CB 1.567 33.365 31.823 -0.042 0.000 1.019 303 V HN 0.939 nan 8.190 nan 0.000 0.445 304 W N 2.304 123.487 121.300 -0.195 0.000 2.290 304 W HA -0.290 4.416 4.660 0.077 0.000 0.323 304 W C 1.784 178.154 176.519 -0.250 0.000 1.260 304 W CA 2.771 59.988 57.345 -0.214 0.000 1.266 304 W CB -0.118 29.199 29.460 -0.237 0.000 1.149 304 W HN 1.026 nan 8.180 nan 0.000 0.482 305 D N 0.043 120.155 120.400 -0.479 0.000 2.104 305 D HA -0.297 4.389 4.640 0.077 0.000 0.194 305 D C 2.136 178.059 176.300 -0.629 0.000 0.994 305 D CA 2.328 56.014 54.000 -0.524 0.000 0.830 305 D CB -0.582 40.165 40.800 -0.088 0.000 0.959 305 D HN 0.396 nan 8.370 nan 0.000 0.452 306 E N -0.327 119.363 120.200 -0.849 0.000 2.038 306 E HA -0.262 4.134 4.350 0.077 0.000 0.195 306 E C 2.033 178.278 176.600 -0.592 0.000 1.000 306 E CA 1.316 57.156 56.400 -0.934 0.000 0.803 306 E CB -0.298 28.816 29.700 -0.977 0.000 0.750 306 E HN 0.317 nan 8.360 nan 0.000 0.448 307 A N 1.005 123.508 122.820 -0.527 0.000 1.865 307 A HA -0.287 4.080 4.320 0.077 0.000 0.217 307 A C 2.210 179.461 177.584 -0.555 0.000 1.191 307 A CA 1.938 53.717 52.037 -0.430 0.000 0.623 307 A CB -0.826 18.041 19.000 -0.223 0.000 0.826 307 A HN 0.472 nan 8.150 nan 0.000 0.444 308 Q N -0.624 118.617 119.800 -0.932 0.000 2.050 308 Q HA -0.217 4.169 4.340 0.077 0.000 0.202 308 Q C 2.226 177.946 176.000 -0.467 0.000 0.980 308 Q CA 1.964 57.256 55.803 -0.852 0.000 0.840 308 Q CB -0.163 27.809 28.738 -1.278 0.000 0.898 308 Q HN 0.674 nan 8.270 nan 0.000 0.424 309 K N 0.044 120.187 120.400 -0.428 0.000 2.147 309 K HA -0.172 4.194 4.320 0.077 0.000 0.205 309 K C 2.054 178.510 176.600 -0.239 0.000 1.049 309 K CA 0.863 56.992 56.287 -0.262 0.000 0.936 309 K CB -0.082 32.305 32.500 -0.189 0.000 0.722 309 K HN 0.169 nan 8.250 nan 0.000 0.446 310 L N 1.264 122.302 121.223 -0.309 0.000 2.201 310 L HA -0.119 4.267 4.340 0.077 0.000 0.212 310 L C 2.134 178.864 176.870 -0.232 0.000 1.105 310 L CA 2.058 56.713 54.840 -0.309 0.000 0.775 310 L CB -0.764 41.023 42.059 -0.452 0.000 0.913 310 L HN 0.314 nan 8.230 nan 0.000 0.440 311 T N -4.397 110.030 114.554 -0.212 0.000 2.929 311 T HA -0.037 4.360 4.350 0.077 0.000 0.271 311 T C 1.812 176.451 174.700 -0.102 0.000 1.085 311 T CA 0.894 62.912 62.100 -0.137 0.000 1.125 311 T CB -0.879 67.924 68.868 -0.109 0.000 0.874 311 T HN 0.378 nan 8.240 nan 0.000 0.494 312 G N 1.308 110.040 108.800 -0.113 0.000 2.447 312 G HA2 0.002 4.009 3.960 0.077 0.000 0.211 312 G HA3 0.002 4.009 3.960 0.077 0.000 0.211 312 G C 1.875 176.731 174.900 -0.073 0.000 1.184 312 G CA -0.279 44.772 45.100 -0.083 0.000 0.813 312 G HN 0.276 nan 8.290 nan 0.000 0.540 313 R N 0.483 120.929 120.500 -0.089 0.000 2.096 313 R HA 0.006 4.392 4.340 0.077 0.000 0.235 313 R C -0.088 176.183 176.300 -0.048 0.000 1.127 313 R CA 1.006 57.066 56.100 -0.068 0.000 0.968 313 R CB -0.384 29.866 30.300 -0.083 0.000 0.861 313 R HN 0.373 nan 8.270 nan 0.000 0.440 314 D N -0.620 119.746 120.400 -0.057 0.000 2.337 314 D HA 0.142 4.829 4.640 0.077 0.000 0.238 314 D C -2.093 174.203 176.300 -0.007 0.000 1.331 314 D CA -1.841 52.157 54.000 -0.003 0.000 0.967 314 D CB 1.444 42.290 40.800 0.077 0.000 1.382 314 D HN -0.141 nan 8.370 nan 0.000 0.549 315 P HA -0.004 nan 4.420 nan 0.000 0.226 315 P C 0.045 177.348 177.300 0.004 0.000 1.153 315 P CA 0.696 63.783 63.100 -0.021 0.000 0.777 315 P CB 0.512 32.198 31.700 -0.025 0.000 0.794 316 D N -1.380 119.031 120.400 0.019 0.000 2.427 316 D HA 0.071 4.758 4.640 0.077 0.000 0.224 316 D C 1.271 177.596 176.300 0.042 0.000 1.157 316 D CA -0.455 53.560 54.000 0.024 0.000 0.828 316 D CB -0.553 40.240 40.800 -0.013 0.000 0.974 316 D HN 0.112 nan 8.370 nan 0.000 0.498 317 F N 1.442 121.324 119.950 -0.113 0.000 2.091 317 F HA -0.286 4.287 4.527 0.077 0.000 0.299 317 F C 2.068 177.813 175.800 -0.091 0.000 1.103 317 F CA 1.947 59.866 58.000 -0.135 0.000 1.228 317 F CB 0.051 38.910 39.000 -0.235 0.000 0.984 317 F HN 0.118 nan 8.300 nan 0.000 0.477 318 H N -1.443 117.551 119.070 -0.127 0.000 2.403 318 H HA -0.055 4.548 4.556 0.077 0.000 0.298 318 H C 2.342 177.558 175.328 -0.187 0.000 1.059 318 H CA 0.840 56.663 56.048 -0.376 0.000 1.363 318 H CB -0.102 29.219 29.762 -0.735 0.000 1.410 318 H HN 0.171 nan 8.280 nan 0.000 0.528 319 R N 1.267 121.844 120.500 0.129 0.000 2.073 319 R HA -0.137 4.249 4.340 0.077 0.000 0.234 319 R C 2.423 178.817 176.300 0.157 0.000 1.134 319 R CA 1.424 57.658 56.100 0.223 0.000 0.952 319 R CB -0.025 30.394 30.300 0.198 0.000 0.850 319 R HN 0.193 nan 8.270 nan 0.000 0.433 320 R N 0.237 120.749 120.500 0.019 0.000 2.066 320 R HA -0.141 4.246 4.340 0.077 0.000 0.232 320 R C 2.196 178.485 176.300 -0.019 0.000 1.131 320 R CA 1.661 57.754 56.100 -0.012 0.000 0.955 320 R CB -0.238 30.010 30.300 -0.086 0.000 0.851 320 R HN 0.236 nan 8.270 nan 0.000 0.432 321 E N 0.796 120.875 120.200 -0.201 0.000 2.110 321 E HA -0.194 4.203 4.350 0.077 0.000 0.193 321 E C 1.969 178.537 176.600 -0.054 0.000 0.988 321 E CA 0.994 57.252 56.400 -0.236 0.000 0.804 321 E CB -0.076 29.293 29.700 -0.552 0.000 0.745 321 E HN 0.283 nan 8.360 nan 0.000 0.458 322 L N 0.670 121.910 121.223 0.030 0.000 2.005 322 L HA -0.124 4.263 4.340 0.077 0.000 0.207 322 L C 2.300 179.275 176.870 0.175 0.000 1.072 322 L CA 1.865 56.774 54.840 0.115 0.000 0.744 322 L CB -1.034 41.157 42.059 0.220 0.000 0.895 322 L HN 0.277 nan 8.230 nan 0.000 0.433 323 W N 0.992 122.327 121.300 0.059 0.000 2.338 323 W HA -0.221 4.485 4.660 0.076 0.000 0.304 323 W C 2.183 178.728 176.519 0.044 0.000 1.212 323 W CA 2.229 59.619 57.345 0.074 0.000 1.264 323 W CB -0.100 29.407 29.460 0.077 0.000 1.142 323 W HN 0.381 nan 8.180 nan 0.000 0.512 324 E N -0.181 120.189 120.200 0.284 0.000 2.152 324 E HA -0.116 4.281 4.350 0.077 0.000 0.192 324 E C 2.347 178.970 176.600 0.039 0.000 0.983 324 E CA 0.972 57.459 56.400 0.145 0.000 0.818 324 E CB -0.294 29.439 29.700 0.057 0.000 0.758 324 E HN 0.183 nan 8.360 nan 0.000 0.467 325 A N 1.251 124.093 122.820 0.037 0.000 1.898 325 A HA -0.145 4.222 4.320 0.077 0.000 0.216 325 A C 2.136 179.746 177.584 0.043 0.000 1.181 325 A CA 0.947 53.000 52.037 0.028 0.000 0.620 325 A CB -0.462 18.557 19.000 0.032 0.000 0.819 325 A HN 0.125 nan 8.150 nan 0.000 0.442 326 I N -0.454 120.161 120.570 0.075 0.000 2.315 326 I HA -0.204 4.012 4.170 0.077 0.000 0.248 326 I C 2.352 178.540 176.117 0.119 0.000 1.117 326 I CA 1.197 62.592 61.300 0.158 0.000 1.404 326 I CB -0.362 37.664 38.000 0.043 0.000 1.071 326 I HN 0.419 nan 8.210 nan 0.000 0.419 327 E N 0.926 121.141 120.200 0.025 0.000 2.204 327 E HA -0.135 4.262 4.350 0.077 0.000 0.194 327 E C 2.088 178.702 176.600 0.022 0.000 0.989 327 E CA 1.110 57.534 56.400 0.040 0.000 0.824 327 E CB -0.033 29.719 29.700 0.087 0.000 0.756 327 E HN 0.476 nan 8.360 nan 0.000 0.477 328 A N 0.090 122.899 122.820 -0.018 0.000 2.251 328 A HA 0.252 4.618 4.320 0.077 0.000 0.209 328 A C 1.735 179.252 177.584 -0.112 0.000 1.187 328 A CA 0.888 52.900 52.037 -0.042 0.000 0.823 328 A CB -0.079 18.886 19.000 -0.058 0.000 0.846 328 A HN 0.327 nan 8.150 nan 0.000 0.486 329 G N -0.428 108.202 108.800 -0.283 0.000 2.176 329 G HA2 -0.211 3.796 3.960 0.077 0.000 0.253 329 G HA3 -0.211 3.796 3.960 0.077 0.000 0.253 329 G C -0.112 174.274 174.900 -0.857 0.000 0.979 329 G CA 0.247 44.878 45.100 -0.782 0.000 0.641 329 G HN 0.441 nan 8.290 nan 0.000 0.530 330 D N 1.114 121.294 120.400 -0.367 0.000 2.801 330 D HA 0.274 4.961 4.640 0.077 0.000 0.232 330 D C 0.722 176.979 176.300 -0.071 0.000 1.128 330 D CA -0.172 53.719 54.000 -0.181 0.000 1.003 330 D CB -0.822 39.971 40.800 -0.011 0.000 1.110 330 D HN 0.443 nan 8.370 nan 0.000 0.477 331 F N 1.510 121.467 119.950 0.011 0.000 2.590 331 F HA 0.063 4.637 4.527 0.078 0.000 0.389 331 F C -1.376 174.402 175.800 -0.036 0.000 1.049 331 F CA -1.889 56.111 58.000 -0.000 0.000 1.199 331 F CB 0.004 39.016 39.000 0.020 0.000 1.058 331 F HN -0.090 nan 8.300 nan 0.000 0.556 332 P HA 0.020 nan 4.420 nan 0.000 0.262 332 P C -1.099 176.160 177.300 -0.067 0.000 1.199 332 P CA 0.362 63.458 63.100 -0.007 0.000 0.763 332 P CB 0.440 32.214 31.700 0.124 0.000 0.790 333 E N 2.590 122.605 120.200 -0.308 0.000 2.248 333 E HA 0.444 4.840 4.350 0.077 0.000 0.267 333 E C -1.051 175.241 176.600 -0.513 0.000 0.877 333 E CA -0.582 55.682 56.400 -0.227 0.000 0.759 333 E CB 1.459 31.123 29.700 -0.059 0.000 1.182 333 E HN 0.380 nan 8.360 nan 0.000 0.418 334 Y N 0.458 120.829 120.300 0.117 0.000 2.477 334 Y HA 0.242 4.839 4.550 0.079 0.000 0.347 334 Y C -0.203 175.930 175.900 0.388 0.000 0.981 334 Y CA -0.987 57.255 58.100 0.237 0.000 1.033 334 Y CB 2.018 40.575 38.460 0.161 0.000 1.245 334 Y HN 0.476 nan 8.280 nan 0.000 0.455 335 E N 3.228 123.759 120.200 0.552 0.000 2.109 335 E HA 0.362 4.759 4.350 0.077 0.000 0.278 335 E C -1.421 175.460 176.600 0.467 0.000 0.954 335 E CA -0.963 55.716 56.400 0.466 0.000 0.779 335 E CB 0.932 30.842 29.700 0.350 0.000 1.093 335 E HN 0.633 nan 8.360 nan 0.000 0.401 336 L N 4.566 125.993 121.223 0.341 0.000 2.455 336 L HA 0.426 4.812 4.340 0.077 0.000 0.272 336 L C -0.036 176.760 176.870 -0.122 0.000 1.174 336 L CA 0.795 55.514 54.840 -0.201 0.000 0.869 336 L CB 0.809 42.666 42.059 -0.337 0.000 1.130 336 L HN 0.592 nan 8.230 nan 0.000 0.474 337 G N 4.559 113.301 108.800 -0.097 0.000 2.612 337 G HA2 0.589 4.596 3.960 0.077 0.000 0.298 337 G HA3 0.589 4.596 3.960 0.077 0.000 0.298 337 G C -1.622 173.396 174.900 0.197 0.000 1.336 337 G CA -0.534 44.557 45.100 -0.014 0.000 0.953 337 G HN 0.476 nan 8.290 nan 0.000 0.482 338 F N 0.011 119.975 119.950 0.024 0.000 2.529 338 F HA 0.402 4.976 4.527 0.078 0.000 0.320 338 F C 0.263 176.050 175.800 -0.021 0.000 1.118 338 F CA -0.951 57.063 58.000 0.024 0.000 0.915 338 F CB 2.781 41.787 39.000 0.011 0.000 1.161 338 F HN 0.140 nan 8.300 nan 0.000 0.445 339 Q N 4.309 124.213 119.800 0.174 0.000 2.360 339 Q HA 0.487 4.874 4.340 0.077 0.000 0.254 339 Q C -1.131 174.900 176.000 0.051 0.000 0.975 339 Q CA -0.443 55.408 55.803 0.081 0.000 0.912 339 Q CB 1.790 30.584 28.738 0.093 0.000 1.212 339 Q HN 0.533 nan 8.270 nan 0.000 0.452 340 L N 4.586 125.849 121.223 0.067 0.000 2.313 340 L HA 0.598 4.985 4.340 0.077 0.000 0.283 340 L C -0.515 176.401 176.870 0.076 0.000 1.013 340 L CA -0.615 54.252 54.840 0.045 0.000 0.816 340 L CB 1.283 43.377 42.059 0.058 0.000 1.236 340 L HN 0.488 nan 8.230 nan 0.000 0.419 341 I N 4.053 124.683 120.570 0.099 0.000 2.447 341 I HA 0.362 4.579 4.170 0.077 0.000 0.287 341 I C -2.355 173.874 176.117 0.186 0.000 1.023 341 I CA -2.105 59.298 61.300 0.172 0.000 1.083 341 I CB 2.312 40.435 38.000 0.205 0.000 1.245 341 I HN 0.254 nan 8.210 nan 0.000 0.434 342 P HA 0.058 nan 4.420 nan 0.000 0.269 342 P C 0.685 178.072 177.300 0.147 0.000 1.209 342 P CA 0.005 63.153 63.100 0.079 0.000 0.776 342 P CB 0.967 32.704 31.700 0.062 0.000 0.876 343 E N 1.337 121.540 120.200 0.005 0.000 2.130 343 E HA -0.279 4.117 4.350 0.077 0.000 0.196 343 E C 0.969 177.695 176.600 0.210 0.000 0.998 343 E CA 1.499 57.923 56.400 0.040 0.000 0.806 343 E CB 0.040 29.667 29.700 -0.120 0.000 0.738 343 E HN 0.442 nan 8.360 nan 0.000 0.459 344 E N 0.577 120.858 120.200 0.135 0.000 2.338 344 E HA -0.134 4.262 4.350 0.077 0.000 0.197 344 E C 0.762 177.450 176.600 0.148 0.000 1.007 344 E CA 0.996 57.478 56.400 0.137 0.000 0.849 344 E CB 0.021 29.771 29.700 0.084 0.000 0.774 344 E HN 0.260 nan 8.360 nan 0.000 0.506 345 D N 0.145 120.637 120.400 0.154 0.000 2.342 345 D HA -0.018 4.668 4.640 0.077 0.000 0.221 345 D C 1.243 177.612 176.300 0.116 0.000 1.101 345 D CA 0.064 54.131 54.000 0.112 0.000 0.837 345 D CB 0.015 40.883 40.800 0.114 0.000 0.938 345 D HN 0.304 nan 8.370 nan 0.000 0.508 346 E N -0.045 120.200 120.200 0.075 0.000 2.086 346 E HA -0.217 4.179 4.350 0.077 0.000 0.200 346 E C 0.444 176.769 176.600 -0.458 0.000 1.012 346 E CA 1.215 57.429 56.400 -0.308 0.000 0.812 346 E CB 0.003 29.399 29.700 -0.507 0.000 0.743 346 E HN 0.257 nan 8.360 nan 0.000 0.453 347 F N -0.334 119.624 119.950 0.014 0.000 2.639 347 F HA 0.271 4.845 4.527 0.077 0.000 0.300 347 F C 1.347 177.098 175.800 -0.082 0.000 1.109 347 F CA -0.186 57.800 58.000 -0.023 0.000 1.335 347 F CB 0.548 39.540 39.000 -0.013 0.000 1.014 347 F HN -0.162 nan 8.300 nan 0.000 0.537 348 K N -0.031 120.341 120.400 -0.048 0.000 2.426 348 K HA 0.104 4.470 4.320 0.077 0.000 0.193 348 K C -0.033 176.242 176.600 -0.542 0.000 1.028 348 K CA 0.320 56.436 56.287 -0.286 0.000 1.047 348 K CB 0.128 32.408 32.500 -0.366 0.000 0.821 348 K HN 0.150 nan 8.250 nan 0.000 0.513 349 F N 1.231 121.022 119.950 -0.265 0.000 2.375 349 F HA 0.040 4.614 4.527 0.078 0.000 0.317 349 F C 1.404 176.997 175.800 -0.345 0.000 1.124 349 F CA -0.960 56.781 58.000 -0.432 0.000 1.050 349 F CB 0.489 38.856 39.000 -1.056 0.000 1.314 349 F HN 0.005 nan 8.300 nan 0.000 0.511 350 D N -0.785 119.587 120.400 -0.047 0.000 2.340 350 D HA 0.045 4.731 4.640 0.077 0.000 0.220 350 D C -0.427 175.951 176.300 0.131 0.000 1.039 350 D CA 0.167 54.206 54.000 0.066 0.000 0.866 350 D CB -0.803 40.073 40.800 0.126 0.000 0.913 350 D HN 0.233 nan 8.370 nan 0.000 0.523 351 F N -1.655 118.375 119.950 0.133 0.000 2.611 351 F HA 0.514 5.087 4.527 0.077 0.000 0.324 351 F C -0.128 175.654 175.800 -0.030 0.000 1.061 351 F CA -1.765 56.235 58.000 -0.000 0.000 0.954 351 F CB 0.891 39.843 39.000 -0.080 0.000 1.301 351 F HN -0.340 nan 8.300 nan 0.000 0.482 352 D N 1.658 122.069 120.400 0.018 0.000 2.350 352 D HA 0.169 4.856 4.640 0.077 0.000 0.249 352 D C 1.019 177.251 176.300 -0.114 0.000 1.119 352 D CA 0.007 53.958 54.000 -0.082 0.000 0.886 352 D CB 1.479 42.257 40.800 -0.036 0.000 1.195 352 D HN 0.739 nan 8.370 nan 0.000 0.437 353 L N 3.350 124.432 121.223 -0.235 0.000 2.191 353 L HA -0.130 4.256 4.340 0.077 0.000 0.212 353 L C 1.996 178.723 176.870 -0.238 0.000 1.103 353 L CA 0.712 55.392 54.840 -0.268 0.000 0.769 353 L CB -0.072 41.685 42.059 -0.503 0.000 0.908 353 L HN 0.451 nan 8.230 nan 0.000 0.438 354 L N -0.880 120.221 121.223 -0.203 0.000 2.591 354 L HA 0.050 4.436 4.340 0.077 0.000 0.228 354 L C 0.354 177.148 176.870 -0.125 0.000 1.133 354 L CA -0.116 54.673 54.840 -0.084 0.000 0.880 354 L CB -0.303 41.797 42.059 0.069 0.000 1.033 354 L HN 0.102 nan 8.230 nan 0.000 0.450 355 D N 1.638 121.736 120.400 -0.504 0.000 2.347 355 D HA 0.132 4.818 4.640 0.077 0.000 0.235 355 D C -1.591 174.479 176.300 -0.383 0.000 1.149 355 D CA -2.287 51.179 54.000 -0.890 0.000 0.850 355 D CB 1.672 41.674 40.800 -1.330 0.000 1.061 355 D HN -0.088 nan 8.370 nan 0.000 0.487 356 P HA -0.034 nan 4.420 nan 0.000 0.241 356 P C 0.826 178.020 177.300 -0.177 0.000 1.191 356 P CA 0.567 63.586 63.100 -0.135 0.000 0.771 356 P CB -0.011 31.695 31.700 0.010 0.000 0.929 357 T N -4.234 110.208 114.554 -0.187 0.000 3.129 357 T HA 0.138 4.534 4.350 0.077 0.000 0.251 357 T C 0.741 175.332 174.700 -0.182 0.000 1.117 357 T CA 0.017 62.015 62.100 -0.171 0.000 1.034 357 T CB -0.229 68.587 68.868 -0.086 0.000 0.968 357 T HN -0.135 nan 8.240 nan 0.000 0.526 358 K N 2.155 122.357 120.400 -0.330 0.000 2.292 358 K HA 0.557 4.923 4.320 0.077 0.000 0.257 358 K C -0.357 176.027 176.600 -0.360 0.000 0.940 358 K CA -0.896 55.068 56.287 -0.539 0.000 0.811 358 K CB 2.123 34.171 32.500 -0.752 0.000 1.120 358 K HN 0.293 nan 8.250 nan 0.000 0.428 359 L N -0.067 121.087 121.223 -0.115 0.000 2.387 359 L HA 0.654 5.040 4.340 0.077 0.000 0.266 359 L C -0.005 176.697 176.870 -0.279 0.000 1.059 359 L CA -0.444 54.295 54.840 -0.169 0.000 0.801 359 L CB 0.336 42.349 42.059 -0.077 0.000 1.223 359 L HN 0.439 nan 8.230 nan 0.000 0.456 360 I N 1.682 122.174 120.570 -0.131 0.000 2.330 360 I HA 0.368 4.585 4.170 0.077 0.000 0.286 360 I C -2.132 174.012 176.117 0.045 0.000 1.025 360 I CA -1.769 59.515 61.300 -0.027 0.000 1.197 360 I CB 1.156 39.146 38.000 -0.016 0.000 1.358 360 I HN 0.466 nan 8.210 nan 0.000 0.467 361 P HA 0.053 nan 4.420 nan 0.000 0.268 361 P C 0.298 177.671 177.300 0.122 0.000 1.204 361 P CA 0.027 63.182 63.100 0.093 0.000 0.768 361 P CB 0.640 32.385 31.700 0.075 0.000 0.842 362 E N 1.634 121.910 120.200 0.127 0.000 2.204 362 E HA -0.188 4.208 4.350 0.077 0.000 0.195 362 E C 1.331 177.988 176.600 0.095 0.000 0.990 362 E CA 0.793 57.255 56.400 0.104 0.000 0.821 362 E CB -0.022 29.743 29.700 0.107 0.000 0.750 362 E HN 0.514 nan 8.360 nan 0.000 0.477 363 E N 0.329 120.587 120.200 0.097 0.000 2.265 363 E HA -0.128 4.269 4.350 0.077 0.000 0.196 363 E C 1.987 178.652 176.600 0.109 0.000 0.996 363 E CA 0.711 57.164 56.400 0.087 0.000 0.832 363 E CB 0.129 29.874 29.700 0.075 0.000 0.756 363 E HN 0.377 nan 8.360 nan 0.000 0.491 364 L N -0.575 120.738 121.223 0.150 0.000 2.200 364 L HA 0.083 4.470 4.340 0.077 0.000 0.200 364 L C 0.670 177.661 176.870 0.201 0.000 1.072 364 L CA 0.393 55.357 54.840 0.208 0.000 0.787 364 L CB 0.385 42.653 42.059 0.348 0.000 0.957 364 L HN -0.216 nan 8.230 nan 0.000 0.459 365 V N 1.698 121.713 119.914 0.168 0.000 2.380 365 V HA 0.335 4.501 4.120 0.077 0.000 0.286 365 V C -2.376 173.767 176.094 0.081 0.000 1.015 365 V CA -1.515 60.866 62.300 0.134 0.000 0.834 365 V CB 1.420 33.318 31.823 0.124 0.000 1.009 365 V HN -0.019 nan 8.190 nan 0.000 0.428 366 P HA 0.211 nan 4.420 nan 0.000 0.274 366 P C -0.351 176.948 177.300 -0.001 0.000 1.237 366 P CA -0.135 62.986 63.100 0.034 0.000 0.793 366 P CB 1.145 32.870 31.700 0.041 0.000 0.977 367 V N 3.005 122.887 119.914 -0.055 0.000 2.427 367 V HA 0.087 4.253 4.120 0.077 0.000 0.268 367 V C 0.895 176.980 176.094 -0.015 0.000 1.046 367 V CA 0.009 62.242 62.300 -0.113 0.000 0.970 367 V CB 0.045 31.713 31.823 -0.258 0.000 1.001 367 V HN 0.561 nan 8.190 nan 0.000 0.476 368 Q N 5.892 125.710 119.800 0.029 0.000 2.288 368 Q HA 0.303 4.689 4.340 0.077 0.000 0.258 368 Q C 0.045 176.056 176.000 0.019 0.000 0.957 368 Q CA -0.632 55.194 55.803 0.038 0.000 0.919 368 Q CB 0.672 29.447 28.738 0.062 0.000 1.185 368 Q HN 0.631 nan 8.270 nan 0.000 0.408 369 R N 2.677 123.209 120.500 0.053 0.000 2.484 369 R HA 0.019 4.406 4.340 0.077 0.000 0.293 369 R C 0.278 176.648 176.300 0.117 0.000 1.023 369 R CA -0.094 56.086 56.100 0.134 0.000 1.037 369 R CB 0.692 31.103 30.300 0.184 0.000 0.951 369 R HN 0.584 nan 8.270 nan 0.000 0.418 370 V N 1.691 121.587 119.914 -0.030 0.000 3.090 370 V HA 0.313 4.479 4.120 0.077 0.000 0.237 370 V C 0.777 176.635 176.094 -0.393 0.000 1.209 370 V CA 1.080 63.228 62.300 -0.254 0.000 1.209 370 V CB 1.054 32.453 31.823 -0.707 0.000 0.971 370 V HN 0.988 nan 8.190 nan 0.000 0.477 371 G N -0.349 108.100 108.800 -0.584 0.000 2.506 371 G HA2 0.492 4.499 3.960 0.077 0.000 0.292 371 G HA3 0.492 4.499 3.960 0.077 0.000 0.292 371 G C -1.838 172.725 174.900 -0.561 0.000 1.425 371 G CA -0.574 43.940 45.100 -0.977 0.000 0.788 371 G HN 0.038 nan 8.290 nan 0.000 0.490 372 K N -0.185 119.897 120.400 -0.530 0.000 2.270 372 K HA 0.722 5.089 4.320 0.077 0.000 0.255 372 K C -0.651 175.994 176.600 0.076 0.000 0.936 372 K CA -0.773 55.486 56.287 -0.046 0.000 0.809 372 K CB 1.859 34.369 32.500 0.016 0.000 1.131 372 K HN 0.570 nan 8.250 nan 0.000 0.427 373 M N 4.782 124.554 119.600 0.286 0.000 2.294 373 M HA 0.405 4.931 4.480 0.077 0.000 0.335 373 M C -1.754 174.541 176.300 -0.009 0.000 1.079 373 M CA -0.732 54.690 55.300 0.203 0.000 0.982 373 M CB 1.624 34.371 32.600 0.245 0.000 1.651 373 M HN 0.355 nan 8.290 nan 0.000 0.437 374 V N 5.622 125.371 119.914 -0.275 0.000 2.588 374 V HA 0.496 4.663 4.120 0.077 0.000 0.304 374 V C -1.088 174.878 176.094 -0.213 0.000 1.042 374 V CA -0.814 61.322 62.300 -0.272 0.000 0.877 374 V CB 1.895 33.433 31.823 -0.475 0.000 0.996 374 V HN 0.676 nan 8.190 nan 0.000 0.425 375 L N 5.589 126.769 121.223 -0.073 0.000 2.277 375 L HA 0.522 4.908 4.340 0.077 0.000 0.284 375 L C 0.537 177.314 176.870 -0.153 0.000 1.028 375 L CA 0.023 54.825 54.840 -0.063 0.000 0.835 375 L CB 1.156 43.229 42.059 0.024 0.000 1.215 375 L HN 0.860 nan 8.230 nan 0.000 0.425 376 N N 2.222 120.733 118.700 -0.315 0.000 2.241 376 N HA 0.188 4.974 4.740 0.077 0.000 0.238 376 N C -0.014 175.304 175.510 -0.318 0.000 1.244 376 N CA -0.290 52.298 53.050 -0.769 0.000 0.880 376 N CB 0.753 38.507 38.487 -1.222 0.000 1.179 376 N HN 0.398 nan 8.380 nan 0.000 0.513 377 R N 0.179 120.603 120.500 -0.127 0.000 2.563 377 R HA 0.269 4.656 4.340 0.077 0.000 0.262 377 R C -1.316 174.933 176.300 -0.085 0.000 1.128 377 R CA -0.541 55.504 56.100 -0.091 0.000 0.969 377 R CB 1.252 31.504 30.300 -0.080 0.000 1.251 377 R HN 0.078 nan 8.270 nan 0.000 0.442 378 N N 3.322 121.849 118.700 -0.288 0.000 2.424 378 N HA 0.301 5.087 4.740 0.077 0.000 0.257 378 N C -2.226 173.222 175.510 -0.104 0.000 1.250 378 N CA -1.125 51.630 53.050 -0.491 0.000 0.946 378 N CB 0.579 38.072 38.487 -1.656 0.000 1.175 378 N HN 0.331 nan 8.380 nan 0.000 0.477 379 P HA 0.127 nan 4.420 nan 0.000 0.275 379 P C 0.009 177.478 177.300 0.282 0.000 1.270 379 P CA -0.075 63.216 63.100 0.320 0.000 0.791 379 P CB 1.124 33.059 31.700 0.390 0.000 1.089 380 D N -1.438 119.110 120.400 0.246 0.000 2.269 380 D HA -0.007 4.680 4.640 0.077 0.000 0.220 380 D C 0.465 176.936 176.300 0.285 0.000 0.962 380 D CA 1.252 55.392 54.000 0.234 0.000 0.884 380 D CB 0.169 41.048 40.800 0.132 0.000 1.023 380 D HN 0.374 nan 8.370 nan 0.000 0.484 381 N N -0.077 118.782 118.700 0.265 0.000 2.461 381 N HA 0.008 4.794 4.740 0.077 0.000 0.284 381 N C 0.112 175.823 175.510 0.334 0.000 1.049 381 N CA -0.351 52.870 53.050 0.286 0.000 0.889 381 N CB 1.630 40.251 38.487 0.224 0.000 1.365 381 N HN -0.158 nan 8.380 nan 0.000 0.499 382 F N 4.397 124.495 119.950 0.245 0.000 2.065 382 F HA -0.220 4.354 4.527 0.078 0.000 0.298 382 F C 1.702 177.623 175.800 0.202 0.000 1.112 382 F CA 1.685 59.827 58.000 0.236 0.000 1.212 382 F CB -0.177 38.935 39.000 0.186 0.000 0.975 382 F HN 0.612 nan 8.300 nan 0.000 0.476 383 F N 0.871 121.059 119.950 0.397 0.000 2.046 383 F HA -0.217 4.356 4.527 0.077 0.000 0.297 383 F C 2.379 178.232 175.800 0.088 0.000 1.123 383 F CA 2.045 60.190 58.000 0.242 0.000 1.199 383 F CB -1.093 38.025 39.000 0.197 0.000 0.972 383 F HN 0.015 nan 8.300 nan 0.000 0.474 384 A N -0.423 122.569 122.820 0.286 0.000 1.908 384 A HA -0.211 4.156 4.320 0.077 0.000 0.218 384 A C 2.083 179.615 177.584 -0.086 0.000 1.181 384 A CA 2.191 54.299 52.037 0.119 0.000 0.627 384 A CB -0.758 18.345 19.000 0.171 0.000 0.818 384 A HN 0.633 nan 8.150 nan 0.000 0.445 385 E N -1.537 118.615 120.200 -0.080 0.000 2.132 385 E HA -0.059 4.337 4.350 0.077 0.000 0.193 385 E C 2.022 178.521 176.600 -0.169 0.000 0.951 385 E CA 0.446 56.738 56.400 -0.181 0.000 0.843 385 E CB -0.147 29.506 29.700 -0.078 0.000 0.807 385 E HN 0.572 nan 8.360 nan 0.000 0.467 386 N N 1.361 119.952 118.700 -0.181 0.000 2.176 386 N HA -0.166 4.620 4.740 0.077 0.000 0.187 386 N C 1.845 177.165 175.510 -0.317 0.000 1.043 386 N CA 1.395 54.280 53.050 -0.276 0.000 0.851 386 N CB -0.013 37.951 38.487 -0.872 0.000 1.018 386 N HN -0.077 nan 8.380 nan 0.000 0.436 387 E N 0.838 120.780 120.200 -0.431 0.000 2.097 387 E HA -0.147 4.249 4.350 0.077 0.000 0.196 387 E C 1.657 178.040 176.600 -0.363 0.000 1.000 387 E CA 1.598 57.808 56.400 -0.317 0.000 0.804 387 E CB -0.200 29.309 29.700 -0.318 0.000 0.740 387 E HN 0.519 nan 8.360 nan 0.000 0.454 388 Q N -0.400 119.130 119.800 -0.449 0.000 2.403 388 Q HA 0.249 4.636 4.340 0.077 0.000 0.203 388 Q C -0.017 175.848 176.000 -0.225 0.000 0.932 388 Q CA 0.186 55.787 55.803 -0.336 0.000 0.945 388 Q CB 0.464 29.000 28.738 -0.336 0.000 1.045 388 Q HN 0.225 nan 8.270 nan 0.000 0.511 389 A N 1.174 123.871 122.820 -0.206 0.000 2.498 389 A HA 0.456 4.823 4.320 0.077 0.000 0.239 389 A C -0.131 177.295 177.584 -0.264 0.000 1.068 389 A CA 0.188 52.073 52.037 -0.254 0.000 0.766 389 A CB 0.251 19.157 19.000 -0.155 0.000 1.003 389 A HN 0.274 nan 8.150 nan 0.000 0.497 390 A N 2.401 125.010 122.820 -0.351 0.000 2.332 390 A HA 0.703 5.070 4.320 0.077 0.000 0.300 390 A C -0.728 176.683 177.584 -0.289 0.000 1.153 390 A CA -0.443 51.456 52.037 -0.230 0.000 0.764 390 A CB 0.331 19.225 19.000 -0.176 0.000 1.174 390 A HN 0.643 nan 8.150 nan 0.000 0.467 391 F N 1.491 121.416 119.950 -0.042 0.000 2.470 391 F HA 0.652 5.225 4.527 0.077 0.000 0.329 391 F C 0.495 176.165 175.800 -0.216 0.000 1.072 391 F CA -0.255 57.688 58.000 -0.095 0.000 0.989 391 F CB 1.666 40.585 39.000 -0.135 0.000 1.193 391 F HN 0.635 nan 8.300 nan 0.000 0.481 392 H N 3.204 122.045 119.070 -0.383 0.000 3.083 392 H HA 0.252 4.850 4.556 0.070 0.000 0.339 392 H C -2.348 172.603 175.328 -0.629 0.000 1.020 392 H CA -2.653 52.909 56.048 -0.811 0.000 1.360 392 H CB 2.603 31.598 29.762 -1.278 0.000 1.811 392 H HN 0.191 nan 8.280 nan 0.000 0.493 393 P HA -0.056 nan 4.420 nan 0.000 0.222 393 P C 1.202 178.544 177.300 0.070 0.000 1.147 393 P CA 1.309 64.365 63.100 -0.074 0.000 0.790 393 P CB 0.109 31.762 31.700 -0.077 0.000 0.780 394 G N -1.191 107.435 108.800 -0.290 0.000 2.572 394 G HA2 -0.142 3.865 3.960 0.077 0.000 0.216 394 G HA3 -0.142 3.865 3.960 0.077 0.000 0.216 394 G C 0.480 175.330 174.900 -0.084 0.000 1.133 394 G CA -0.025 44.874 45.100 -0.335 0.000 0.791 394 G HN 0.429 nan 8.290 nan 0.000 0.538 395 H N 0.888 119.838 119.070 -0.200 0.000 3.216 395 H HA 0.315 4.914 4.556 0.072 0.000 0.263 395 H C 0.561 175.942 175.328 0.088 0.000 1.601 395 H CA -0.750 55.253 56.048 -0.076 0.000 1.509 395 H CB -0.167 29.559 29.762 -0.060 0.000 1.759 395 H HN 0.377 nan 8.280 nan 0.000 0.533 396 I N -0.377 120.276 120.570 0.138 0.000 3.100 396 I HA 0.673 4.889 4.170 0.077 0.000 0.312 396 I C -0.054 176.044 176.117 -0.032 0.000 1.063 396 I CA -1.388 59.941 61.300 0.048 0.000 1.031 396 I CB 1.840 39.752 38.000 -0.148 0.000 1.243 396 I HN 0.122 nan 8.210 nan 0.000 0.483 397 V N -1.973 117.914 119.914 -0.044 0.000 3.102 397 V HA 0.676 4.843 4.120 0.077 0.000 0.312 397 V C -2.839 173.350 176.094 0.159 0.000 1.135 397 V CA -2.591 59.742 62.300 0.056 0.000 1.022 397 V CB 1.016 32.853 31.823 0.023 0.000 1.056 397 V HN 0.644 nan 8.190 nan 0.000 0.436 398 P HA 0.342 nan 4.420 nan 0.000 0.262 398 P C 0.887 178.177 177.300 -0.017 0.000 1.182 398 P CA 2.029 65.181 63.100 0.086 0.000 0.761 398 P CB 0.534 32.267 31.700 0.056 0.000 0.795 399 G N 1.809 110.552 108.800 -0.095 0.000 2.218 399 G HA2 -0.155 3.851 3.960 0.077 0.000 0.216 399 G HA3 -0.155 3.851 3.960 0.077 0.000 0.216 399 G C -0.282 174.531 174.900 -0.145 0.000 0.994 399 G CA -0.453 44.576 45.100 -0.118 0.000 0.637 399 G HN 0.452 nan 8.290 nan 0.000 0.505 400 L N 0.211 121.360 121.223 -0.124 0.000 2.354 400 L HA 0.890 5.276 4.340 0.077 0.000 0.264 400 L C -0.726 176.081 176.870 -0.105 0.000 1.008 400 L CA -1.051 53.697 54.840 -0.153 0.000 0.819 400 L CB 2.141 44.044 42.059 -0.260 0.000 1.339 400 L HN 0.088 nan 8.230 nan 0.000 0.420 401 D N -0.280 120.042 120.400 -0.129 0.000 2.615 401 D HA 0.482 5.169 4.640 0.077 0.000 0.267 401 D C -1.157 175.057 176.300 -0.143 0.000 1.236 401 D CA -0.329 53.568 54.000 -0.172 0.000 0.839 401 D CB 2.137 42.918 40.800 -0.031 0.000 1.380 401 D HN 0.112 nan 8.370 nan 0.000 0.433 402 F N -0.238 119.844 119.950 0.220 0.000 2.321 402 F HA 0.508 5.083 4.527 0.079 0.000 0.318 402 F C 1.532 177.367 175.800 0.059 0.000 1.129 402 F CA -0.250 57.821 58.000 0.119 0.000 1.074 402 F CB 1.039 40.076 39.000 0.062 0.000 1.432 402 F HN 0.219 nan 8.300 nan 0.000 0.502 403 T N -3.293 111.368 114.554 0.179 0.000 2.742 403 T HA 0.308 4.704 4.350 0.077 0.000 0.282 403 T C -0.027 174.716 174.700 0.072 0.000 1.025 403 T CA -0.950 61.231 62.100 0.136 0.000 1.020 403 T CB 1.127 70.056 68.868 0.101 0.000 1.317 403 T HN 0.339 nan 8.240 nan 0.000 0.538 404 N N 1.053 119.796 118.700 0.071 0.000 2.449 404 N HA 0.062 4.849 4.740 0.077 0.000 0.191 404 N C 0.064 175.589 175.510 0.024 0.000 1.161 404 N CA 0.087 53.163 53.050 0.043 0.000 0.863 404 N CB -0.454 38.072 38.487 0.064 0.000 0.980 404 N HN 0.696 nan 8.380 nan 0.000 0.458 405 D N 2.449 122.851 120.400 0.003 0.000 2.793 405 D HA -0.094 4.592 4.640 0.077 0.000 0.230 405 D C -1.308 174.998 176.300 0.010 0.000 1.139 405 D CA -0.826 53.199 54.000 0.041 0.000 0.838 405 D CB 1.189 41.969 40.800 -0.034 0.000 1.149 405 D HN 0.155 nan 8.370 nan 0.000 0.526 406 P HA -0.132 nan 4.420 nan 0.000 0.223 406 P C 1.597 178.922 177.300 0.041 0.000 1.151 406 P CA 0.209 63.335 63.100 0.044 0.000 0.787 406 P CB 0.384 32.110 31.700 0.044 0.000 0.788 407 L N -0.190 121.081 121.223 0.080 0.000 2.049 407 L HA -0.040 4.346 4.340 0.077 0.000 0.203 407 L C 2.421 179.236 176.870 -0.092 0.000 1.074 407 L CA 1.368 56.254 54.840 0.076 0.000 0.749 407 L CB -1.715 40.477 42.059 0.222 0.000 0.907 407 L HN -0.168 nan 8.230 nan 0.000 0.439 408 L N -0.271 120.735 121.223 -0.362 0.000 1.990 408 L HA -0.275 4.111 4.340 0.077 0.000 0.213 408 L C 2.490 179.141 176.870 -0.365 0.000 1.072 408 L CA 1.921 56.310 54.840 -0.751 0.000 0.755 408 L CB -1.121 40.292 42.059 -1.077 0.000 0.889 408 L HN 0.415 nan 8.230 nan 0.000 0.432 409 Q N -0.197 119.452 119.800 -0.251 0.000 2.133 409 Q HA -0.191 4.195 4.340 0.077 0.000 0.208 409 Q C 2.093 178.032 176.000 -0.102 0.000 0.991 409 Q CA 1.935 57.633 55.803 -0.174 0.000 0.867 409 Q CB -0.887 27.792 28.738 -0.099 0.000 0.911 409 Q HN 0.731 nan 8.270 nan 0.000 0.417 410 G N 0.185 108.951 108.800 -0.056 0.000 2.464 410 G HA2 -0.175 3.831 3.960 0.077 0.000 0.217 410 G HA3 -0.175 3.831 3.960 0.077 0.000 0.217 410 G C 1.492 176.416 174.900 0.039 0.000 1.138 410 G CA 0.032 45.139 45.100 0.012 0.000 0.793 410 G HN 0.248 nan 8.290 nan 0.000 0.539 411 R N -0.118 120.364 120.500 -0.030 0.000 2.120 411 R HA 0.078 4.465 4.340 0.077 0.000 0.234 411 R C 2.417 178.815 176.300 0.162 0.000 1.123 411 R CA 0.630 56.769 56.100 0.066 0.000 0.975 411 R CB -0.394 29.943 30.300 0.062 0.000 0.866 411 R HN 0.332 nan 8.270 nan 0.000 0.446 412 L N -0.381 120.862 121.223 0.034 0.000 2.083 412 L HA -0.196 4.190 4.340 0.077 0.000 0.209 412 L C 2.289 179.277 176.870 0.196 0.000 1.083 412 L CA 1.190 56.060 54.840 0.049 0.000 0.752 412 L CB -0.442 41.463 42.059 -0.257 0.000 0.899 412 L HN 0.151 nan 8.230 nan 0.000 0.433 413 F N 0.130 120.097 119.950 0.029 0.000 2.128 413 F HA -0.194 4.363 4.527 0.050 0.000 0.295 413 F C 2.831 178.641 175.800 0.017 0.000 1.100 413 F CA 1.636 59.654 58.000 0.031 0.000 1.260 413 F CB -0.327 38.672 39.000 -0.002 0.000 1.009 413 F HN -0.057 nan 8.300 nan 0.000 0.476 414 S N -0.733 114.898 115.700 -0.116 0.000 2.368 414 S HA -0.224 4.292 4.470 0.077 0.000 0.225 414 S C 2.079 176.416 174.600 -0.438 0.000 1.030 414 S CA 1.567 59.587 58.200 -0.299 0.000 0.999 414 S CB -0.799 62.288 63.200 -0.188 0.000 0.844 414 S HN 0.553 nan 8.310 nan 0.000 0.459 415 Y N 1.550 121.506 120.300 -0.575 0.000 2.242 415 Y HA -0.070 4.523 4.550 0.072 0.000 0.291 415 Y C 2.993 178.505 175.900 -0.646 0.000 1.137 415 Y CA 1.416 59.089 58.100 -0.712 0.000 1.181 415 Y CB -0.918 36.861 38.460 -1.134 0.000 0.989 415 Y HN 0.251 nan 8.280 nan 0.000 0.527 416 T N -0.382 113.930 114.554 -0.403 0.000 2.674 416 T HA -0.239 4.157 4.350 0.077 0.000 0.265 416 T C 1.431 175.979 174.700 -0.253 0.000 1.039 416 T CA 1.789 63.785 62.100 -0.174 0.000 1.150 416 T CB -0.514 68.349 68.868 -0.008 0.000 0.864 416 T HN 0.382 nan 8.240 nan 0.000 0.427 417 D N 0.449 120.606 120.400 -0.406 0.000 2.092 417 D HA -0.124 4.562 4.640 0.077 0.000 0.193 417 D C 2.323 178.472 176.300 -0.251 0.000 0.994 417 D CA 1.729 55.507 54.000 -0.370 0.000 0.828 417 D CB -0.561 39.863 40.800 -0.626 0.000 0.963 417 D HN 0.242 nan 8.370 nan 0.000 0.450 418 T N -1.007 113.379 114.554 -0.280 0.000 2.833 418 T HA -0.163 4.234 4.350 0.077 0.000 0.269 418 T C 1.866 176.435 174.700 -0.218 0.000 1.054 418 T CA 1.490 63.459 62.100 -0.218 0.000 1.135 418 T CB -0.241 68.481 68.868 -0.244 0.000 0.869 418 T HN 0.238 nan 8.240 nan 0.000 0.466 419 Q N -0.117 119.495 119.800 -0.315 0.000 2.226 419 Q HA -0.011 4.376 4.340 0.077 0.000 0.204 419 Q C 2.138 177.975 176.000 -0.272 0.000 0.975 419 Q CA 0.907 56.455 55.803 -0.425 0.000 0.866 419 Q CB -0.071 28.154 28.738 -0.855 0.000 0.915 419 Q HN 0.467 nan 8.270 nan 0.000 0.440 420 I N 0.357 120.846 120.570 -0.136 0.000 2.493 420 I HA -0.196 4.021 4.170 0.077 0.000 0.254 420 I C 2.254 178.374 176.117 0.004 0.000 1.160 420 I CA 1.473 62.779 61.300 0.010 0.000 1.445 420 I CB -1.003 37.017 38.000 0.034 0.000 1.086 420 I HN 0.221 nan 8.210 nan 0.000 0.433 421 S N 0.002 115.683 115.700 -0.032 0.000 2.502 421 S HA -0.009 4.508 4.470 0.077 0.000 0.228 421 S C 2.110 176.698 174.600 -0.021 0.000 1.061 421 S CA -0.130 58.062 58.200 -0.012 0.000 0.935 421 S CB -0.212 62.981 63.200 -0.011 0.000 0.809 421 S HN 0.271 nan 8.310 nan 0.000 0.510 422 R N 1.141 121.607 120.500 -0.056 0.000 2.091 422 R HA 0.115 4.501 4.340 0.077 0.000 0.238 422 R C 1.063 177.341 176.300 -0.038 0.000 1.136 422 R CA 1.500 57.567 56.100 -0.053 0.000 0.959 422 R CB -0.324 29.922 30.300 -0.090 0.000 0.856 422 R HN 0.468 nan 8.270 nan 0.000 0.437 423 L N -0.237 120.959 121.223 -0.045 0.000 2.872 423 L HA 0.349 4.735 4.340 0.077 0.000 0.245 423 L C 0.787 177.685 176.870 0.047 0.000 1.211 423 L CA 0.171 55.010 54.840 -0.003 0.000 1.013 423 L CB 0.974 43.035 42.059 0.003 0.000 1.326 423 L HN 0.503 nan 8.230 nan 0.000 0.525 424 G N 0.055 108.879 108.800 0.040 0.000 2.168 424 G HA2 -0.117 3.889 3.960 0.077 0.000 0.257 424 G HA3 -0.117 3.889 3.960 0.077 0.000 0.257 424 G C 0.486 175.434 174.900 0.081 0.000 0.997 424 G CA 0.229 45.361 45.100 0.054 0.000 0.708 424 G HN 0.842 nan 8.290 nan 0.000 0.520 425 G N -1.916 106.955 108.800 0.118 0.000 2.356 425 G HA2 0.574 4.581 3.960 0.077 0.000 0.288 425 G HA3 0.574 4.581 3.960 0.077 0.000 0.288 425 G C -2.170 172.877 174.900 0.245 0.000 1.302 425 G CA 0.298 45.483 45.100 0.142 0.000 0.887 425 G HN 0.448 nan 8.290 nan 0.000 0.521 426 P HA 0.132 nan 4.420 nan 0.000 0.249 426 P C 0.205 177.507 177.300 0.003 0.000 1.229 426 P CA 0.353 63.558 63.100 0.175 0.000 0.788 426 P CB 0.214 31.983 31.700 0.115 0.000 1.072 427 N N 0.423 119.132 118.700 0.015 0.000 2.376 427 N HA 0.085 4.872 4.740 0.077 0.000 0.249 427 N C 0.891 176.261 175.510 -0.234 0.000 1.140 427 N CA -0.225 52.743 53.050 -0.138 0.000 0.870 427 N CB -0.455 37.990 38.487 -0.070 0.000 1.124 427 N HN 0.250 nan 8.380 nan 0.000 0.505 428 F N 0.432 120.391 119.950 0.016 0.000 2.451 428 F HA -0.009 4.554 4.527 0.060 0.000 0.299 428 F C 2.198 177.963 175.800 -0.058 0.000 1.101 428 F CA 0.590 58.568 58.000 -0.037 0.000 1.436 428 F CB -0.654 38.339 39.000 -0.012 0.000 1.074 428 F HN 0.151 nan 8.300 nan 0.000 0.553 429 H N 0.406 119.149 119.070 -0.546 0.000 2.546 429 H HA 0.094 4.696 4.556 0.076 0.000 0.277 429 H C 0.812 176.010 175.328 -0.216 0.000 1.004 429 H CA 1.241 57.073 56.048 -0.360 0.000 1.231 429 H CB -0.715 28.712 29.762 -0.560 0.000 1.382 429 H HN 0.514 nan 8.280 nan 0.000 0.580 430 E N 0.880 120.680 120.200 -0.667 0.000 2.474 430 E HA 0.178 4.574 4.350 0.077 0.000 0.194 430 E C 0.247 176.737 176.600 -0.184 0.000 1.041 430 E CA -0.249 55.909 56.400 -0.403 0.000 0.874 430 E CB 0.525 29.997 29.700 -0.380 0.000 0.914 430 E HN 0.411 nan 8.360 nan 0.000 0.498 431 I N 2.671 123.155 120.570 -0.143 0.000 2.517 431 I HA -0.022 4.195 4.170 0.077 0.000 0.285 431 I C -1.585 174.476 176.117 -0.093 0.000 1.106 431 I CA -1.671 59.572 61.300 -0.096 0.000 1.402 431 I CB 0.740 38.698 38.000 -0.071 0.000 1.399 431 I HN -0.196 nan 8.210 nan 0.000 0.535 432 P HA -0.296 nan 4.420 nan 0.000 0.221 432 P C 1.735 178.963 177.300 -0.121 0.000 1.160 432 P CA 1.510 64.556 63.100 -0.089 0.000 0.933 432 P CB 0.147 31.803 31.700 -0.074 0.000 0.793 433 I N -0.932 119.538 120.570 -0.167 0.000 2.335 433 I HA -0.211 4.005 4.170 0.077 0.000 0.251 433 I C 1.381 177.410 176.117 -0.147 0.000 1.129 433 I CA 1.773 62.917 61.300 -0.261 0.000 1.402 433 I CB -0.662 37.070 38.000 -0.446 0.000 1.069 433 I HN -0.079 nan 8.210 nan 0.000 0.424 434 N N 0.697 119.338 118.700 -0.098 0.000 2.463 434 N HA 0.020 4.806 4.740 0.077 0.000 0.181 434 N C 0.276 175.805 175.510 0.032 0.000 1.078 434 N CA 0.211 53.243 53.050 -0.030 0.000 0.902 434 N CB -0.165 38.324 38.487 0.004 0.000 0.970 434 N HN 0.389 nan 8.380 nan 0.000 0.451 435 R N 1.729 122.237 120.500 0.013 0.000 2.522 435 R HA 0.136 4.522 4.340 0.077 0.000 0.284 435 R C -2.196 174.168 176.300 0.107 0.000 1.032 435 R CA -1.167 54.947 56.100 0.023 0.000 1.049 435 R CB -0.141 30.157 30.300 -0.005 0.000 0.956 435 R HN 0.043 nan 8.270 nan 0.000 0.422 436 P HA -0.027 nan 4.420 nan 0.000 0.269 436 P C 0.558 177.934 177.300 0.126 0.000 1.215 436 P CA 0.039 63.222 63.100 0.139 0.000 0.780 436 P CB 0.644 32.384 31.700 0.066 0.000 0.898 437 T N -2.910 111.729 114.554 0.143 0.000 3.060 437 T HA 0.087 4.484 4.350 0.077 0.000 0.249 437 T C 0.875 175.621 174.700 0.077 0.000 1.079 437 T CA -0.026 62.114 62.100 0.066 0.000 1.013 437 T CB -1.038 67.849 68.868 0.031 0.000 0.975 437 T HN 0.568 nan 8.240 nan 0.000 0.518 438 C N 0.977 120.338 119.300 0.101 0.000 2.345 438 C HA 0.794 5.300 4.460 0.077 0.000 0.369 438 C C -2.416 172.633 174.990 0.099 0.000 1.273 438 C CA -2.453 56.621 59.018 0.093 0.000 2.310 438 C CB -0.051 27.748 27.740 0.099 0.000 2.219 438 C HN 0.165 nan 8.230 nan 0.000 0.587 439 P HA 0.351 nan 4.420 nan 0.000 0.272 439 P C -1.264 176.115 177.300 0.132 0.000 1.223 439 P CA 0.339 63.506 63.100 0.112 0.000 0.784 439 P CB 0.011 31.811 31.700 0.168 0.000 0.923 440 Y N 0.046 120.251 120.300 -0.158 0.000 2.358 440 Y HA 0.603 5.200 4.550 0.077 0.000 0.324 440 Y C -1.697 173.891 175.900 -0.521 0.000 1.123 440 Y CA -0.834 57.149 58.100 -0.195 0.000 1.067 440 Y CB 0.996 39.366 38.460 -0.151 0.000 1.230 440 Y HN 0.437 nan 8.280 nan 0.000 0.429 441 H N 3.924 122.906 119.070 -0.147 0.000 2.856 441 H HA 0.600 5.203 4.556 0.077 0.000 0.355 441 H C -1.106 174.120 175.328 -0.171 0.000 1.079 441 H CA -0.726 55.163 56.048 -0.265 0.000 1.240 441 H CB 1.786 31.415 29.762 -0.223 0.000 1.701 441 H HN 0.886 nan 8.280 nan 0.000 0.527 442 N N 0.338 118.945 118.700 -0.154 0.000 3.449 442 N HA 0.192 4.979 4.740 0.077 0.000 0.312 442 N C -1.188 174.096 175.510 -0.377 0.000 1.557 442 N CA -0.911 51.999 53.050 -0.234 0.000 0.864 442 N CB 0.719 39.212 38.487 0.010 0.000 1.799 442 N HN 0.308 nan 8.380 nan 0.000 0.554 443 F N -0.467 119.527 119.950 0.073 0.000 2.639 443 F HA 0.376 4.946 4.527 0.071 0.000 0.302 443 F C 0.366 176.210 175.800 0.073 0.000 1.097 443 F CA -0.389 57.648 58.000 0.062 0.000 1.294 443 F CB 0.236 39.266 39.000 0.050 0.000 1.027 443 F HN 0.136 nan 8.300 nan 0.000 0.550 444 Q N 1.710 121.620 119.800 0.183 0.000 2.332 444 Q HA 0.373 4.759 4.340 0.077 0.000 0.263 444 Q C 0.042 176.120 176.000 0.130 0.000 0.979 444 Q CA 0.013 55.901 55.803 0.142 0.000 0.885 444 Q CB 0.976 29.773 28.738 0.097 0.000 1.218 444 Q HN 0.094 nan 8.270 nan 0.000 0.405 445 R N 1.843 122.413 120.500 0.117 0.000 2.836 445 R HA 0.383 4.769 4.340 0.077 0.000 0.269 445 R C -0.586 175.765 176.300 0.084 0.000 1.010 445 R CA -0.684 55.476 56.100 0.100 0.000 0.930 445 R CB 1.166 31.527 30.300 0.102 0.000 1.218 445 R HN 0.706 nan 8.270 nan 0.000 0.473 446 D N -0.225 120.217 120.400 0.070 0.000 3.439 446 D HA -0.160 4.527 4.640 0.077 0.000 0.238 446 D C 0.377 176.714 176.300 0.062 0.000 1.727 446 D CA 1.984 56.018 54.000 0.057 0.000 1.145 446 D CB -1.025 39.807 40.800 0.054 0.000 0.764 446 D HN 0.899 nan 8.370 nan 0.000 0.938 447 G N -1.555 107.280 108.800 0.058 0.000 2.690 447 G HA2 0.220 4.227 3.960 0.077 0.000 0.686 447 G HA3 0.220 4.227 3.960 0.077 0.000 0.686 447 G C -0.310 174.629 174.900 0.064 0.000 1.277 447 G CA 0.001 45.140 45.100 0.065 0.000 0.799 447 G HN 0.788 nan 8.290 nan 0.000 0.613 448 M N 0.995 120.639 119.600 0.074 0.000 2.250 448 M HA 0.464 4.990 4.480 0.077 0.000 0.337 448 M C 1.111 177.492 176.300 0.134 0.000 1.161 448 M CA 1.277 56.629 55.300 0.087 0.000 1.088 448 M CB -0.488 32.164 32.600 0.087 0.000 1.639 448 M HN 1.558 nan 8.290 nan 0.000 0.447 449 H N 0.870 119.946 119.070 0.011 0.000 2.604 449 H HA -0.189 4.412 4.556 0.075 0.000 0.321 449 H C -0.727 174.594 175.328 -0.012 0.000 1.132 449 H CA 0.616 56.665 56.048 0.002 0.000 1.129 449 H CB -0.626 29.139 29.762 0.005 0.000 1.526 449 H HN 0.598 nan 8.280 nan 0.000 0.415 450 R N 1.610 122.133 120.500 0.037 0.000 2.370 450 R HA 0.048 4.434 4.340 0.077 0.000 0.309 450 R C 0.879 177.175 176.300 -0.007 0.000 1.059 450 R CA 0.050 56.164 56.100 0.023 0.000 0.981 450 R CB 0.248 30.559 30.300 0.018 0.000 0.972 450 R HN 0.417 nan 8.270 nan 0.000 0.437 451 M N 2.615 122.225 119.600 0.016 0.000 2.398 451 M HA 0.212 4.738 4.480 0.077 0.000 0.261 451 M C 0.964 177.258 176.300 -0.010 0.000 1.125 451 M CA 1.127 56.431 55.300 0.007 0.000 1.183 451 M CB -1.013 31.602 32.600 0.026 0.000 1.322 451 M HN 0.708 nan 8.290 nan 0.000 0.467 452 G N 2.212 111.010 108.800 -0.004 0.000 2.272 452 G HA2 0.318 4.324 3.960 0.077 0.000 0.247 452 G HA3 0.318 4.324 3.960 0.077 0.000 0.247 452 G C -0.308 174.586 174.900 -0.011 0.000 1.272 452 G CA -0.284 44.809 45.100 -0.012 0.000 0.921 452 G HN 0.342 nan 8.290 nan 0.000 0.495 453 I N 2.947 123.504 120.570 -0.021 0.000 2.330 453 I HA 0.123 4.339 4.170 0.077 0.000 0.286 453 I C -0.285 175.823 176.117 -0.015 0.000 1.025 453 I CA -0.562 60.730 61.300 -0.013 0.000 1.197 453 I CB 1.082 39.074 38.000 -0.015 0.000 1.358 453 I HN 0.363 nan 8.210 nan 0.000 0.467 454 D N 4.663 125.061 120.400 -0.004 0.000 2.308 454 D HA 0.100 4.787 4.640 0.077 0.000 0.251 454 D C 1.113 177.418 176.300 0.008 0.000 1.127 454 D CA 0.189 54.187 54.000 -0.003 0.000 0.876 454 D CB 2.065 42.871 40.800 0.011 0.000 1.176 454 D HN 0.577 nan 8.370 nan 0.000 0.446 455 T N -0.901 113.655 114.554 0.003 0.000 3.023 455 T HA -0.049 4.348 4.350 0.077 0.000 0.253 455 T C 0.776 175.487 174.700 0.019 0.000 1.038 455 T CA -0.522 61.582 62.100 0.008 0.000 0.962 455 T CB 0.153 69.018 68.868 -0.004 0.000 1.018 455 T HN 0.124 nan 8.240 nan 0.000 0.521 456 N N 3.429 122.144 118.700 0.024 0.000 2.411 456 N HA 0.107 4.893 4.740 0.077 0.000 0.261 456 N C -1.591 173.959 175.510 0.066 0.000 1.248 456 N CA -1.631 51.445 53.050 0.044 0.000 0.885 456 N CB 1.441 39.956 38.487 0.047 0.000 1.062 456 N HN 0.053 nan 8.380 nan 0.000 0.471 457 P HA -0.048 nan 4.420 nan 0.000 0.218 457 P C -0.484 176.872 177.300 0.092 0.000 1.148 457 P CA 1.049 64.191 63.100 0.071 0.000 0.822 457 P CB 0.151 31.889 31.700 0.063 0.000 0.784 458 A N 0.561 123.423 122.820 0.070 0.000 2.312 458 A HA 0.413 4.779 4.320 0.077 0.000 0.326 458 A C 0.507 178.173 177.584 0.136 0.000 1.172 458 A CA -0.649 51.377 52.037 -0.018 0.000 0.821 458 A CB 0.035 18.838 19.000 -0.328 0.000 1.166 458 A HN 0.289 nan 8.150 nan 0.000 0.493 459 N N 0.094 118.902 118.700 0.180 0.000 2.351 459 N HA 0.358 5.144 4.740 0.077 0.000 0.254 459 N C -0.902 174.746 175.510 0.230 0.000 1.241 459 N CA -0.334 52.906 53.050 0.317 0.000 0.883 459 N CB 0.355 38.998 38.487 0.260 0.000 1.202 459 N HN 0.690 nan 8.380 nan 0.000 0.512 460 Y N -1.038 119.116 120.300 -0.244 0.000 2.609 460 Y HA 0.652 5.246 4.550 0.073 0.000 0.336 460 Y C -1.576 173.720 175.900 -1.006 0.000 1.129 460 Y CA -1.367 56.413 58.100 -0.535 0.000 1.040 460 Y CB 0.972 39.294 38.460 -0.230 0.000 1.310 460 Y HN 0.071 nan 8.280 nan 0.000 0.460 461 E N 0.965 120.691 120.200 -0.789 0.000 2.383 461 E HA 0.651 5.047 4.350 0.077 0.000 0.275 461 E C -3.157 173.346 176.600 -0.162 0.000 0.918 461 E CA -2.105 53.942 56.400 -0.589 0.000 0.764 461 E CB 1.657 30.992 29.700 -0.608 0.000 1.252 461 E HN 0.574 nan 8.360 nan 0.000 0.449 462 P HA 0.235 nan 4.420 nan 0.000 0.271 462 P C -1.264 175.999 177.300 -0.061 0.000 1.216 462 P CA -0.369 62.672 63.100 -0.099 0.000 0.776 462 P CB 0.454 32.128 31.700 -0.044 0.000 0.881 463 N N -1.063 117.527 118.700 -0.183 0.000 2.262 463 N HA 0.363 5.149 4.740 0.077 0.000 0.295 463 N C 0.341 175.810 175.510 -0.068 0.000 1.161 463 N CA -0.791 52.161 53.050 -0.163 0.000 0.767 463 N CB 1.565 39.670 38.487 -0.637 0.000 1.499 463 N HN 0.203 nan 8.380 nan 0.000 0.476 464 S N 0.597 116.303 115.700 0.010 0.000 2.497 464 S HA 0.002 4.518 4.470 0.077 0.000 0.218 464 S C 1.561 176.175 174.600 0.023 0.000 1.023 464 S CA -0.075 58.130 58.200 0.008 0.000 0.913 464 S CB -0.776 62.439 63.200 0.025 0.000 0.800 464 S HN 0.715 nan 8.310 nan 0.000 0.505 465 I N -0.509 120.082 120.570 0.036 0.000 2.614 465 I HA 0.168 4.384 4.170 0.077 0.000 0.258 465 I C 1.421 177.568 176.117 0.050 0.000 1.189 465 I CA 1.447 62.778 61.300 0.051 0.000 1.462 465 I CB -0.389 37.659 38.000 0.081 0.000 1.092 465 I HN 0.201 nan 8.210 nan 0.000 0.442 466 N N 1.003 119.730 118.700 0.045 0.000 2.238 466 N HA 0.030 4.816 4.740 0.077 0.000 0.235 466 N C -0.088 175.522 175.510 0.167 0.000 1.209 466 N CA -0.009 53.106 53.050 0.108 0.000 0.879 466 N CB 0.038 38.601 38.487 0.126 0.000 1.136 466 N HN 0.243 nan 8.380 nan 0.000 0.517 467 D N 0.610 121.058 120.400 0.079 0.000 2.772 467 D HA -0.252 4.435 4.640 0.077 0.000 0.233 467 D C -0.077 176.122 176.300 -0.168 0.000 1.143 467 D CA 1.064 55.076 54.000 0.020 0.000 0.700 467 D CB -1.458 39.422 40.800 0.134 0.000 1.076 467 D HN 0.444 nan 8.370 nan 0.000 0.430 468 N N -1.751 116.874 118.700 -0.125 0.000 2.828 468 N HA -0.245 4.541 4.740 0.077 0.000 0.248 468 N C -0.772 174.662 175.510 -0.126 0.000 1.044 468 N CA 1.446 54.395 53.050 -0.168 0.000 0.851 468 N CB -1.269 37.063 38.487 -0.258 0.000 1.136 468 N HN 0.556 nan 8.380 nan 0.000 0.572 469 W N 1.013 122.362 121.300 0.081 0.000 2.313 469 W HA 0.439 5.144 4.660 0.076 0.000 0.328 469 W C -1.665 174.873 176.519 0.033 0.000 1.197 469 W CA -1.614 55.754 57.345 0.038 0.000 1.235 469 W CB 0.478 29.913 29.460 -0.041 0.000 1.158 469 W HN -0.035 nan 8.180 nan 0.000 0.578 470 P HA 0.201 nan 4.420 nan 0.000 0.275 470 P C -0.672 176.746 177.300 0.196 0.000 1.228 470 P CA -0.208 63.010 63.100 0.196 0.000 0.786 470 P CB 0.900 32.573 31.700 -0.045 0.000 0.927 471 R N 1.063 121.685 120.500 0.203 0.000 2.604 471 R HA 0.337 4.724 4.340 0.077 0.000 0.287 471 R C 0.262 176.599 176.300 0.061 0.000 0.970 471 R CA -0.853 55.245 56.100 -0.002 0.000 0.946 471 R CB 1.151 31.234 30.300 -0.362 0.000 1.127 471 R HN 0.489 nan 8.270 nan 0.000 0.473 472 E N 0.771 120.994 120.200 0.039 0.000 2.436 472 E HA 0.022 4.418 4.350 0.077 0.000 0.262 472 E C -0.550 176.075 176.600 0.042 0.000 1.063 472 E CA 0.707 57.140 56.400 0.054 0.000 0.944 472 E CB 0.664 30.388 29.700 0.040 0.000 0.950 472 E HN 0.352 nan 8.360 nan 0.000 0.444 473 T N 3.779 118.368 114.554 0.058 0.000 2.841 473 T HA 0.333 4.729 4.350 0.077 0.000 0.285 473 T C -2.437 172.288 174.700 0.042 0.000 0.991 473 T CA -1.596 60.536 62.100 0.054 0.000 0.966 473 T CB 1.453 70.364 68.868 0.072 0.000 0.962 473 T HN 0.235 nan 8.240 nan 0.000 0.438 474 P HA 0.196 nan 4.420 nan 0.000 0.268 474 P C -2.386 174.921 177.300 0.011 0.000 1.208 474 P CA -1.106 62.002 63.100 0.015 0.000 0.777 474 P CB -0.306 31.398 31.700 0.007 0.000 0.875 475 P HA 0.282 nan 4.420 nan 0.000 0.272 475 P C -0.053 177.235 177.300 -0.020 0.000 1.230 475 P CA 0.328 63.414 63.100 -0.025 0.000 0.788 475 P CB 0.725 32.390 31.700 -0.058 0.000 0.949 476 G N 0.429 109.214 108.800 -0.024 0.000 2.488 476 G HA2 0.381 4.387 3.960 0.077 0.000 0.301 476 G HA3 0.381 4.387 3.960 0.077 0.000 0.301 476 G C -2.627 172.260 174.900 -0.021 0.000 1.339 476 G CA -0.747 44.343 45.100 -0.017 0.000 0.803 476 G HN 0.096 nan 8.290 nan 0.000 0.482 477 P HA 0.080 nan 4.420 nan 0.000 0.216 477 P C 0.263 177.557 177.300 -0.011 0.000 1.153 477 P CA 1.192 64.281 63.100 -0.018 0.000 0.848 477 P CB 0.180 31.872 31.700 -0.012 0.000 0.787 478 K N -1.321 119.079 120.400 0.000 0.000 2.464 478 K HA 0.393 4.760 4.320 0.077 0.000 0.253 478 K C -0.228 176.385 176.600 0.022 0.000 0.933 478 K CA -0.861 55.433 56.287 0.011 0.000 0.801 478 K CB 1.859 34.368 32.500 0.014 0.000 1.271 478 K HN -0.313 nan 8.250 nan 0.000 0.430 479 R N -0.210 120.311 120.500 0.034 0.000 3.641 479 R HA -0.145 4.241 4.340 0.077 0.000 0.286 479 R C -0.060 176.267 176.300 0.044 0.000 1.153 479 R CA 0.941 57.068 56.100 0.045 0.000 0.775 479 R CB -2.165 28.161 30.300 0.045 0.000 1.215 479 R HN 0.974 nan 8.270 nan 0.000 0.474 480 G N -0.965 107.855 108.800 0.035 0.000 2.511 480 G HA2 0.631 4.637 3.960 0.077 0.000 0.316 480 G HA3 0.631 4.637 3.960 0.077 0.000 0.316 480 G C 0.345 175.275 174.900 0.050 0.000 1.210 480 G CA 0.070 45.189 45.100 0.031 0.000 0.969 480 G HN 0.251 nan 8.290 nan 0.000 0.492 481 G N -1.344 107.488 108.800 0.053 0.000 2.572 481 G HA2 0.418 4.424 3.960 0.077 0.000 0.261 481 G HA3 0.418 4.424 3.960 0.077 0.000 0.261 481 G C -0.630 174.329 174.900 0.098 0.000 1.197 481 G CA -0.585 44.569 45.100 0.090 0.000 0.870 481 G HN 0.479 nan 8.290 nan 0.000 0.548 482 F N 0.220 120.182 119.950 0.020 0.000 2.495 482 F HA 0.383 4.959 4.527 0.083 0.000 0.365 482 F C 0.541 176.352 175.800 0.018 0.000 1.090 482 F CA -0.111 57.895 58.000 0.011 0.000 1.235 482 F CB 0.872 39.878 39.000 0.011 0.000 1.119 482 F HN 0.429 nan 8.300 nan 0.000 0.562 483 E N 4.319 124.151 120.200 -0.614 0.000 2.260 483 E HA 0.259 4.655 4.350 0.077 0.000 0.266 483 E C -1.171 175.109 176.600 -0.533 0.000 0.887 483 E CA -0.726 55.476 56.400 -0.330 0.000 0.777 483 E CB 1.501 31.096 29.700 -0.175 0.000 1.205 483 E HN 0.633 nan 8.360 nan 0.000 0.414 484 S N 2.743 118.361 115.700 -0.137 0.000 2.560 484 S HA -0.026 4.490 4.470 0.077 0.000 0.284 484 S C -0.501 174.087 174.600 -0.020 0.000 1.327 484 S CA -0.268 57.934 58.200 0.002 0.000 1.055 484 S CB 0.069 63.396 63.200 0.211 0.000 0.868 484 S HN 0.470 nan 8.310 nan 0.000 0.506 485 Y N 2.849 123.085 120.300 -0.107 0.000 2.721 485 Y HA -0.030 4.565 4.550 0.076 0.000 0.329 485 Y C 0.829 176.712 175.900 -0.029 0.000 1.211 485 Y CA 0.137 58.185 58.100 -0.086 0.000 1.512 485 Y CB 0.114 38.524 38.460 -0.083 0.000 1.249 485 Y HN 0.579 nan 8.280 nan 0.000 0.549 486 Q N 5.437 124.865 119.800 -0.620 0.000 3.184 486 Q HA 0.015 4.401 4.340 0.077 0.000 0.288 486 Q C -0.154 175.520 176.000 -0.544 0.000 1.412 486 Q CA -0.041 55.493 55.803 -0.449 0.000 0.991 486 Q CB -0.199 28.356 28.738 -0.305 0.000 1.688 486 Q HN 0.652 nan 8.270 nan 0.000 0.554 487 E N 1.492 121.476 120.200 -0.359 0.000 2.413 487 E HA -0.001 4.396 4.350 0.077 0.000 0.263 487 E C -0.256 176.309 176.600 -0.058 0.000 1.015 487 E CA -0.535 55.793 56.400 -0.121 0.000 0.916 487 E CB 0.666 30.437 29.700 0.118 0.000 0.947 487 E HN 0.139 nan 8.360 nan 0.000 0.440 488 R N 3.161 123.650 120.500 -0.018 0.000 2.347 488 R HA 0.213 4.599 4.340 0.077 0.000 0.304 488 R C -1.492 174.829 176.300 0.035 0.000 1.072 488 R CA -0.216 55.885 56.100 0.002 0.000 0.980 488 R CB 0.816 31.124 30.300 0.014 0.000 0.986 488 R HN 0.310 nan 8.270 nan 0.000 0.448 489 V N 5.117 125.046 119.914 0.024 0.000 2.448 489 V HA 0.422 4.589 4.120 0.077 0.000 0.295 489 V C -0.517 175.590 176.094 0.021 0.000 1.025 489 V CA -0.548 61.771 62.300 0.032 0.000 0.859 489 V CB 1.590 33.428 31.823 0.026 0.000 0.988 489 V HN 0.828 nan 8.190 nan 0.000 0.431 490 E N 2.821 123.035 120.200 0.024 0.000 2.294 490 E HA 0.688 5.084 4.350 0.077 0.000 0.272 490 E C -0.156 176.450 176.600 0.010 0.000 0.896 490 E CA -0.377 56.031 56.400 0.014 0.000 0.802 490 E CB 2.266 31.973 29.700 0.013 0.000 1.267 490 E HN 0.984 nan 8.360 nan 0.000 0.406 491 G N 2.362 111.164 108.800 0.002 0.000 2.316 491 G HA2 0.138 4.144 3.960 0.077 0.000 0.296 491 G HA3 0.138 4.144 3.960 0.077 0.000 0.296 491 G C -1.520 173.375 174.900 -0.009 0.000 1.399 491 G CA -1.030 44.068 45.100 -0.004 0.000 0.833 491 G HN 0.361 nan 8.290 nan 0.000 0.565 492 N N -0.093 118.599 118.700 -0.014 0.000 2.489 492 N HA 0.452 5.238 4.740 0.077 0.000 0.284 492 N C -0.238 175.260 175.510 -0.021 0.000 1.158 492 N CA -0.622 52.418 53.050 -0.016 0.000 0.965 492 N CB 1.091 39.568 38.487 -0.017 0.000 1.195 492 N HN 0.420 nan 8.380 nan 0.000 0.506 493 K N 1.111 121.498 120.400 -0.022 0.000 2.351 493 K HA 0.174 4.541 4.320 0.077 0.000 0.287 493 K C -0.705 175.874 176.600 -0.034 0.000 1.068 493 K CA -0.157 56.113 56.287 -0.028 0.000 0.998 493 K CB -0.261 32.224 32.500 -0.026 0.000 0.968 493 K HN 0.336 nan 8.250 nan 0.000 0.464 494 V N 0.220 120.109 119.914 -0.042 0.000 2.876 494 V HA 0.477 4.643 4.120 0.077 0.000 0.312 494 V C -0.443 175.613 176.094 -0.064 0.000 1.085 494 V CA -1.338 60.933 62.300 -0.048 0.000 0.945 494 V CB 2.042 33.838 31.823 -0.046 0.000 1.017 494 V HN 0.619 nan 8.190 nan 0.000 0.428 495 R N 2.172 122.630 120.500 -0.070 0.000 2.755 495 R HA 0.529 4.915 4.340 0.077 0.000 0.268 495 R C -0.425 175.829 176.300 -0.076 0.000 1.295 495 R CA -0.084 55.962 56.100 -0.090 0.000 1.379 495 R CB 0.537 30.771 30.300 -0.110 0.000 1.170 495 R HN 0.911 nan 8.270 nan 0.000 0.584 496 E N 1.694 121.846 120.200 -0.080 0.000 2.308 496 E HA 0.234 4.630 4.350 0.077 0.000 0.275 496 E C -1.180 175.354 176.600 -0.111 0.000 0.890 496 E CA -1.074 55.281 56.400 -0.076 0.000 0.754 496 E CB 1.638 31.300 29.700 -0.063 0.000 1.207 496 E HN 0.094 nan 8.360 nan 0.000 0.426 497 R N 1.691 122.129 120.500 -0.104 0.000 2.438 497 R HA 0.173 4.559 4.340 0.077 0.000 0.287 497 R C -0.456 175.720 176.300 -0.207 0.000 1.077 497 R CA 0.130 56.128 56.100 -0.171 0.000 1.034 497 R CB 1.086 31.345 30.300 -0.068 0.000 0.993 497 R HN 0.373 nan 8.270 nan 0.000 0.459 498 S N 4.800 120.254 115.700 -0.410 0.000 2.549 498 S HA 0.115 4.631 4.470 0.077 0.000 0.286 498 S C -1.552 173.006 174.600 -0.069 0.000 1.314 498 S CA -1.222 56.825 58.200 -0.255 0.000 1.062 498 S CB 0.667 63.648 63.200 -0.366 0.000 0.865 498 S HN 0.563 nan 8.310 nan 0.000 0.498 499 P HA -0.100 nan 4.420 nan 0.000 0.218 499 P C 1.489 178.837 177.300 0.081 0.000 1.148 499 P CA 1.205 64.325 63.100 0.034 0.000 0.822 499 P CB -0.126 31.586 31.700 0.020 0.000 0.784 500 S N -2.070 113.716 115.700 0.143 0.000 2.474 500 S HA -0.103 4.414 4.470 0.077 0.000 0.235 500 S C 1.455 176.217 174.600 0.270 0.000 0.997 500 S CA 0.807 59.123 58.200 0.193 0.000 0.949 500 S CB -1.360 61.986 63.200 0.243 0.000 0.766 500 S HN -0.030 nan 8.310 nan 0.000 0.517 501 F N 2.260 122.197 119.950 -0.022 0.000 2.789 501 F HA 0.378 4.951 4.527 0.077 0.000 0.300 501 F C 2.021 177.746 175.800 -0.126 0.000 1.132 501 F CA -0.825 57.154 58.000 -0.034 0.000 1.404 501 F CB -0.764 38.249 39.000 0.022 0.000 1.114 501 F HN 0.349 nan 8.300 nan 0.000 0.584 502 G N 0.572 109.373 108.800 0.002 0.000 3.471 502 G HA2 0.056 4.063 3.960 0.077 0.000 0.254 502 G HA3 0.056 4.063 3.960 0.077 0.000 0.254 502 G C 0.020 174.504 174.900 -0.693 0.000 1.199 502 G CA 0.134 45.060 45.100 -0.290 0.000 1.683 502 G HN 0.059 nan 8.290 nan 0.000 0.625 503 E N 0.107 119.809 120.200 -0.831 0.000 2.260 503 E HA 0.317 4.714 4.350 0.077 0.000 0.266 503 E C -0.852 175.292 176.600 -0.760 0.000 0.887 503 E CA -0.757 55.235 56.400 -0.681 0.000 0.777 503 E CB 1.468 31.020 29.700 -0.246 0.000 1.205 503 E HN 0.233 nan 8.360 nan 0.000 0.414 504 Y N 2.642 122.732 120.300 -0.351 0.000 2.432 504 Y HA 0.183 4.779 4.550 0.077 0.000 0.252 504 Y C 0.774 176.390 175.900 -0.473 0.000 1.097 504 Y CA -0.117 57.688 58.100 -0.492 0.000 1.250 504 Y CB 0.368 38.393 38.460 -0.725 0.000 1.245 504 Y HN 0.426 nan 8.280 nan 0.000 0.522 505 Y N -1.108 119.269 120.300 0.129 0.000 2.498 505 Y HA 0.074 4.671 4.550 0.078 0.000 0.259 505 Y C 2.429 178.381 175.900 0.086 0.000 1.086 505 Y CA 0.182 58.351 58.100 0.114 0.000 1.287 505 Y CB -0.434 38.101 38.460 0.125 0.000 1.146 505 Y HN 0.063 nan 8.280 nan 0.000 0.523 506 S N -0.680 115.143 115.700 0.205 0.000 2.383 506 S HA -0.199 4.317 4.470 0.077 0.000 0.227 506 S C 1.629 176.288 174.600 0.098 0.000 1.026 506 S CA 1.485 59.784 58.200 0.166 0.000 0.981 506 S CB -0.789 62.514 63.200 0.173 0.000 0.818 506 S HN 0.534 nan 8.310 nan 0.000 0.472 507 H N 2.503 121.470 119.070 -0.172 0.000 2.357 507 H HA 0.046 4.649 4.556 0.078 0.000 0.301 507 H C -0.501 174.601 175.328 -0.376 0.000 1.082 507 H CA 1.469 57.253 56.048 -0.440 0.000 1.342 507 H CB -1.338 27.923 29.762 -0.835 0.000 1.389 507 H HN 0.404 nan 8.280 nan 0.000 0.511 508 P HA -0.185 nan 4.420 nan 0.000 0.216 508 P C 1.657 179.136 177.300 0.298 0.000 1.153 508 P CA 1.553 64.792 63.100 0.231 0.000 0.858 508 P CB -0.136 31.722 31.700 0.263 0.000 0.789 509 R N -0.448 120.174 120.500 0.204 0.000 2.075 509 R HA -0.110 4.277 4.340 0.077 0.000 0.232 509 R C 2.167 178.589 176.300 0.203 0.000 1.126 509 R CA 1.068 57.293 56.100 0.209 0.000 0.963 509 R CB -1.074 29.311 30.300 0.143 0.000 0.858 509 R HN 0.049 nan 8.270 nan 0.000 0.435 510 L N 0.605 121.893 121.223 0.108 0.000 2.012 510 L HA -0.153 4.233 4.340 0.077 0.000 0.210 510 L C 1.989 178.919 176.870 0.099 0.000 1.073 510 L CA 1.806 56.677 54.840 0.052 0.000 0.748 510 L CB -0.824 41.194 42.059 -0.069 0.000 0.891 510 L HN 0.256 nan 8.230 nan 0.000 0.431 511 F N -0.708 119.274 119.950 0.054 0.000 2.102 511 F HA -0.278 4.296 4.527 0.078 0.000 0.298 511 F C 2.352 178.160 175.800 0.013 0.000 1.105 511 F CA 2.219 60.235 58.000 0.026 0.000 1.239 511 F CB -0.670 38.386 39.000 0.093 0.000 0.991 511 F HN 0.399 nan 8.300 nan 0.000 0.474 512 W N 1.447 122.730 121.300 -0.028 0.000 2.335 512 W HA -0.251 4.456 4.660 0.077 0.000 0.311 512 W C 1.706 178.097 176.519 -0.215 0.000 1.213 512 W CA 1.879 59.149 57.345 -0.125 0.000 1.274 512 W CB -0.726 28.753 29.460 0.032 0.000 1.148 512 W HN 0.095 nan 8.180 nan 0.000 0.498 513 L N 1.133 122.303 121.223 -0.089 0.000 2.376 513 L HA -0.134 4.252 4.340 0.077 0.000 0.219 513 L C 2.296 178.986 176.870 -0.302 0.000 1.133 513 L CA 0.967 55.677 54.840 -0.217 0.000 0.816 513 L CB -0.673 41.372 42.059 -0.023 0.000 0.933 513 L HN -0.153 nan 8.230 nan 0.000 0.449 514 S N -1.420 114.079 115.700 -0.335 0.000 2.558 514 S HA 0.061 4.577 4.470 0.077 0.000 0.217 514 S C 0.715 175.037 174.600 -0.462 0.000 0.975 514 S CA 0.087 58.087 58.200 -0.334 0.000 0.912 514 S CB 0.026 63.063 63.200 -0.272 0.000 0.776 514 S HN 0.301 nan 8.310 nan 0.000 0.526 515 Q N 2.132 121.554 119.800 -0.631 0.000 2.227 515 Q HA 0.306 4.693 4.340 0.077 0.000 0.245 515 Q C 0.582 176.196 176.000 -0.644 0.000 0.926 515 Q CA -0.161 55.231 55.803 -0.685 0.000 0.895 515 Q CB 0.481 28.739 28.738 -0.801 0.000 1.230 515 Q HN 0.407 nan 8.270 nan 0.000 0.450 516 T N -1.902 112.227 114.554 -0.707 0.000 2.766 516 T HA 0.151 4.547 4.350 0.077 0.000 0.295 516 T C -1.718 172.508 174.700 -0.789 0.000 1.024 516 T CA -1.291 60.357 62.100 -0.754 0.000 1.018 516 T CB 0.262 68.473 68.868 -1.096 0.000 1.002 516 T HN 0.226 nan 8.240 nan 0.000 0.532 517 P HA -0.042 nan 4.420 nan 0.000 0.216 517 P C 1.371 178.424 177.300 -0.412 0.000 1.150 517 P CA 1.110 63.965 63.100 -0.409 0.000 0.837 517 P CB -0.276 31.303 31.700 -0.201 0.000 0.786 518 F N -0.451 119.284 119.950 -0.358 0.000 2.367 518 F HA 0.123 4.697 4.527 0.077 0.000 0.298 518 F C 1.785 177.171 175.800 -0.690 0.000 1.094 518 F CA 0.645 58.359 58.000 -0.477 0.000 1.409 518 F CB -1.353 37.372 39.000 -0.458 0.000 1.064 518 F HN -0.111 nan 8.300 nan 0.000 0.528 519 E N 0.577 120.160 120.200 -1.028 0.000 2.107 519 E HA -0.178 4.218 4.350 0.077 0.000 0.191 519 E C 2.188 178.566 176.600 -0.371 0.000 0.982 519 E CA 1.136 57.176 56.400 -0.599 0.000 0.809 519 E CB -0.202 29.123 29.700 -0.625 0.000 0.756 519 E HN 0.601 nan 8.360 nan 0.000 0.459 520 Q N 0.370 119.868 119.800 -0.503 0.000 2.084 520 Q HA -0.171 4.216 4.340 0.077 0.000 0.202 520 Q C 2.295 178.277 176.000 -0.029 0.000 0.978 520 Q CA 1.094 56.621 55.803 -0.460 0.000 0.844 520 Q CB -0.109 28.092 28.738 -0.895 0.000 0.898 520 Q HN 0.112 nan 8.270 nan 0.000 0.426 521 R N 0.214 120.681 120.500 -0.055 0.000 2.081 521 R HA -0.181 4.206 4.340 0.077 0.000 0.235 521 R C 1.688 178.154 176.300 0.278 0.000 1.131 521 R CA 1.736 57.912 56.100 0.126 0.000 0.960 521 R CB -0.252 30.111 30.300 0.106 0.000 0.856 521 R HN 0.522 nan 8.270 nan 0.000 0.436 522 H N -0.266 118.887 119.070 0.139 0.000 2.387 522 H HA -0.079 4.523 4.556 0.077 0.000 0.299 522 H C 2.244 177.681 175.328 0.181 0.000 1.090 522 H CA 1.285 57.433 56.048 0.167 0.000 1.332 522 H CB 0.009 29.878 29.762 0.180 0.000 1.386 522 H HN 0.224 nan 8.280 nan 0.000 0.516 523 I N 0.158 120.932 120.570 0.340 0.000 2.142 523 I HA -0.264 3.952 4.170 0.077 0.000 0.240 523 I C 2.369 178.768 176.117 0.470 0.000 1.078 523 I CA 0.848 62.385 61.300 0.395 0.000 1.343 523 I CB -0.240 38.081 38.000 0.536 0.000 1.046 523 I HN 0.072 nan 8.210 nan 0.000 0.405 524 V N 1.038 121.232 119.914 0.467 0.000 2.282 524 V HA -0.339 3.828 4.120 0.077 0.000 0.249 524 V C 2.100 178.373 176.094 0.299 0.000 1.057 524 V CA 2.222 64.750 62.300 0.380 0.000 1.032 524 V CB -0.705 31.302 31.823 0.306 0.000 0.645 524 V HN 0.432 nan 8.190 nan 0.000 0.447 525 D N 0.332 120.885 120.400 0.256 0.000 2.144 525 D HA -0.110 4.576 4.640 0.077 0.000 0.199 525 D C 2.159 178.528 176.300 0.115 0.000 0.984 525 D CA 1.573 55.687 54.000 0.190 0.000 0.834 525 D CB -0.649 40.267 40.800 0.193 0.000 0.955 525 D HN 0.489 nan 8.370 nan 0.000 0.465 526 G N 0.172 109.016 108.800 0.073 0.000 2.433 526 G HA2 -0.256 3.751 3.960 0.077 0.000 0.216 526 G HA3 -0.256 3.751 3.960 0.077 0.000 0.216 526 G C 1.476 176.364 174.900 -0.021 0.000 1.186 526 G CA 0.258 45.309 45.100 -0.083 0.000 0.779 526 G HN 0.167 nan 8.290 nan 0.000 0.543 527 F N 1.890 121.881 119.950 0.068 0.000 2.126 527 F HA -0.108 4.466 4.527 0.077 0.000 0.299 527 F C 3.185 178.906 175.800 -0.132 0.000 1.096 527 F CA 1.699 59.673 58.000 -0.043 0.000 1.255 527 F CB -0.352 38.636 39.000 -0.020 0.000 0.997 527 F HN 0.094 nan 8.300 nan 0.000 0.479 528 S N -0.127 115.666 115.700 0.156 0.000 2.368 528 S HA -0.199 4.318 4.470 0.077 0.000 0.224 528 S C 1.854 176.470 174.600 0.027 0.000 1.029 528 S CA 1.181 59.420 58.200 0.064 0.000 0.988 528 S CB -0.858 62.400 63.200 0.097 0.000 0.838 528 S HN 0.396 nan 8.310 nan 0.000 0.462 529 F N 2.754 122.657 119.950 -0.079 0.000 2.046 529 F HA -0.156 4.417 4.527 0.077 0.000 0.297 529 F C 2.420 178.146 175.800 -0.124 0.000 1.123 529 F CA 1.677 59.617 58.000 -0.099 0.000 1.199 529 F CB -0.320 38.550 39.000 -0.217 0.000 0.972 529 F HN 0.114 nan 8.300 nan 0.000 0.474 530 E N 0.619 120.784 120.200 -0.058 0.000 2.058 530 E HA -0.236 4.161 4.350 0.077 0.000 0.194 530 E C 2.356 178.719 176.600 -0.396 0.000 0.997 530 E CA 1.807 58.120 56.400 -0.144 0.000 0.801 530 E CB -0.593 29.154 29.700 0.080 0.000 0.746 530 E HN 0.496 nan 8.360 nan 0.000 0.450 531 L N 1.337 122.248 121.223 -0.520 0.000 2.201 531 L HA -0.128 4.259 4.340 0.077 0.000 0.212 531 L C 2.738 179.435 176.870 -0.288 0.000 1.105 531 L CA 1.058 55.596 54.840 -0.503 0.000 0.775 531 L CB -0.500 41.294 42.059 -0.441 0.000 0.913 531 L HN 0.147 nan 8.230 nan 0.000 0.440 532 S N -0.537 115.011 115.700 -0.254 0.000 2.442 532 S HA -0.125 4.392 4.470 0.077 0.000 0.236 532 S C 1.824 176.304 174.600 -0.200 0.000 1.007 532 S CA 0.670 58.750 58.200 -0.201 0.000 0.965 532 S CB -0.102 62.984 63.200 -0.191 0.000 0.773 532 S HN 0.261 nan 8.310 nan 0.000 0.504 533 K N 1.184 121.438 120.400 -0.245 0.000 2.426 533 K HA 0.332 4.698 4.320 0.077 0.000 0.193 533 K C 0.050 176.637 176.600 -0.021 0.000 1.028 533 K CA -0.026 56.178 56.287 -0.138 0.000 1.047 533 K CB -0.341 32.066 32.500 -0.155 0.000 0.821 533 K HN 0.335 nan 8.250 nan 0.000 0.513 534 V N 2.303 122.181 119.914 -0.061 0.000 2.427 534 V HA -0.008 4.158 4.120 0.077 0.000 0.268 534 V C 1.745 177.821 176.094 -0.031 0.000 1.046 534 V CA -0.075 62.218 62.300 -0.011 0.000 0.970 534 V CB 1.155 32.941 31.823 -0.062 0.000 1.001 534 V HN -0.125 nan 8.190 nan 0.000 0.476 535 V N 5.362 125.283 119.914 0.011 0.000 2.358 535 V HA -0.083 4.083 4.120 0.077 0.000 0.246 535 V C 1.368 177.444 176.094 -0.029 0.000 1.047 535 V CA 1.390 63.693 62.300 0.005 0.000 1.035 535 V CB -0.454 31.393 31.823 0.039 0.000 0.658 535 V HN 0.765 nan 8.190 nan 0.000 0.452 536 R N 0.993 121.447 120.500 -0.077 0.000 2.242 536 R HA 0.167 4.553 4.340 0.077 0.000 0.334 536 R C -1.669 174.499 176.300 -0.220 0.000 1.071 536 R CA -1.379 54.639 56.100 -0.137 0.000 0.922 536 R CB 0.513 30.656 30.300 -0.261 0.000 1.023 536 R HN 0.268 nan 8.270 nan 0.000 0.458 537 P HA -0.202 nan 4.420 nan 0.000 0.218 537 P C 0.737 178.006 177.300 -0.053 0.000 1.148 537 P CA 1.135 64.201 63.100 -0.056 0.000 0.822 537 P CB -0.029 31.675 31.700 0.007 0.000 0.784 538 Y N -1.208 119.094 120.300 0.002 0.000 2.333 538 Y HA -0.068 4.528 4.550 0.077 0.000 0.290 538 Y C 1.965 177.872 175.900 0.013 0.000 1.144 538 Y CA 0.648 58.750 58.100 0.004 0.000 1.228 538 Y CB -1.766 36.696 38.460 0.004 0.000 0.985 538 Y HN -0.124 nan 8.280 nan 0.000 0.542 539 I N 0.852 121.025 120.570 -0.662 0.000 2.252 539 I HA -0.254 3.962 4.170 0.077 0.000 0.245 539 I C 2.533 178.579 176.117 -0.118 0.000 1.102 539 I CA 1.400 62.485 61.300 -0.358 0.000 1.385 539 I CB -0.402 37.364 38.000 -0.390 0.000 1.064 539 I HN 0.212 nan 8.210 nan 0.000 0.414 540 R N 0.928 121.345 120.500 -0.139 0.000 2.080 540 R HA -0.199 4.187 4.340 0.077 0.000 0.236 540 R C 2.161 178.426 176.300 -0.059 0.000 1.137 540 R CA 1.682 57.716 56.100 -0.111 0.000 0.943 540 R CB -0.521 29.708 30.300 -0.118 0.000 0.846 540 R HN 0.455 nan 8.270 nan 0.000 0.431 541 E N 0.530 120.715 120.200 -0.025 0.000 2.085 541 E HA -0.210 4.187 4.350 0.077 0.000 0.194 541 E C 2.171 178.785 176.600 0.024 0.000 0.994 541 E CA 1.244 57.647 56.400 0.006 0.000 0.801 541 E CB -0.116 29.608 29.700 0.041 0.000 0.743 541 E HN 0.299 nan 8.360 nan 0.000 0.453 542 R N 0.344 120.875 120.500 0.053 0.000 2.096 542 R HA -0.111 4.276 4.340 0.077 0.000 0.235 542 R C 2.424 178.756 176.300 0.053 0.000 1.127 542 R CA 1.077 57.217 56.100 0.066 0.000 0.968 542 R CB -0.267 30.092 30.300 0.098 0.000 0.861 542 R HN 0.053 nan 8.270 nan 0.000 0.440 543 V N 0.206 120.152 119.914 0.053 0.000 2.358 543 V HA -0.193 3.973 4.120 0.077 0.000 0.246 543 V C 2.272 178.360 176.094 -0.010 0.000 1.047 543 V CA 1.462 63.809 62.300 0.078 0.000 1.035 543 V CB -0.256 31.648 31.823 0.134 0.000 0.658 543 V HN 0.121 nan 8.190 nan 0.000 0.452 544 V N 0.656 120.538 119.914 -0.052 0.000 2.332 544 V HA -0.325 3.842 4.120 0.077 0.000 0.248 544 V C 2.343 178.403 176.094 -0.057 0.000 1.055 544 V CA 2.535 64.778 62.300 -0.094 0.000 1.038 544 V CB -0.700 31.074 31.823 -0.082 0.000 0.651 544 V HN 0.686 nan 8.190 nan 0.000 0.450 545 D N -0.803 119.596 120.400 -0.002 0.000 2.123 545 D HA -0.209 4.478 4.640 0.077 0.000 0.196 545 D C 2.245 178.620 176.300 0.125 0.000 0.992 545 D CA 1.277 55.307 54.000 0.050 0.000 0.833 545 D CB -0.052 40.794 40.800 0.075 0.000 0.954 545 D HN 0.338 nan 8.370 nan 0.000 0.455 546 Q N -0.197 119.646 119.800 0.072 0.000 2.124 546 Q HA -0.087 4.299 4.340 0.077 0.000 0.202 546 Q C 2.583 178.614 176.000 0.051 0.000 0.977 546 Q CA 0.671 56.520 55.803 0.077 0.000 0.850 546 Q CB -0.286 28.511 28.738 0.098 0.000 0.901 546 Q HN 0.468 nan 8.270 nan 0.000 0.429 547 L N 0.098 121.287 121.223 -0.057 0.000 2.083 547 L HA -0.150 4.236 4.340 0.077 0.000 0.209 547 L C 2.395 179.159 176.870 -0.177 0.000 1.083 547 L CA 1.026 55.755 54.840 -0.185 0.000 0.752 547 L CB -0.736 41.108 42.059 -0.359 0.000 0.899 547 L HN 0.109 nan 8.230 nan 0.000 0.433 548 A N -0.603 122.137 122.820 -0.133 0.000 2.076 548 A HA -0.224 4.143 4.320 0.077 0.000 0.220 548 A C 1.741 179.161 177.584 -0.274 0.000 1.160 548 A CA 1.486 53.411 52.037 -0.187 0.000 0.653 548 A CB -0.751 18.145 19.000 -0.173 0.000 0.801 548 A HN 0.474 nan 8.150 nan 0.000 0.455 549 H N -1.372 117.486 119.070 -0.353 0.000 2.548 549 H HA 0.288 4.891 4.556 0.078 0.000 0.265 549 H C 1.563 176.611 175.328 -0.468 0.000 0.969 549 H CA 0.840 56.544 56.048 -0.572 0.000 1.155 549 H CB 0.080 29.071 29.762 -1.285 0.000 1.394 549 H HN 0.505 nan 8.280 nan 0.000 0.570 550 I N -1.151 119.322 120.570 -0.161 0.000 2.899 550 I HA 0.088 4.304 4.170 0.077 0.000 0.257 550 I C -0.178 175.864 176.117 -0.125 0.000 1.115 550 I CA 0.445 61.714 61.300 -0.052 0.000 1.451 550 I CB 0.681 38.672 38.000 -0.015 0.000 1.251 550 I HN 0.086 nan 8.210 nan 0.000 0.456 551 D N -1.009 119.246 120.400 -0.242 0.000 2.871 551 D HA 0.221 4.907 4.640 0.077 0.000 0.209 551 D C 0.057 176.187 176.300 -0.283 0.000 1.292 551 D CA -0.397 53.439 54.000 -0.274 0.000 0.869 551 D CB 1.395 41.897 40.800 -0.496 0.000 1.663 551 D HN -0.197 nan 8.370 nan 0.000 0.557 552 L N 2.332 123.449 121.223 -0.175 0.000 2.141 552 L HA 0.020 4.406 4.340 0.077 0.000 0.209 552 L C 2.229 179.021 176.870 -0.131 0.000 1.094 552 L CA 1.723 56.475 54.840 -0.148 0.000 0.763 552 L CB -0.828 41.170 42.059 -0.101 0.000 0.908 552 L HN 0.629 nan 8.230 nan 0.000 0.437 553 T N -0.456 114.045 114.554 -0.088 0.000 2.746 553 T HA -0.185 4.211 4.350 0.077 0.000 0.267 553 T C 1.844 176.494 174.700 -0.084 0.000 1.039 553 T CA 1.528 63.624 62.100 -0.007 0.000 1.142 553 T CB -0.317 68.642 68.868 0.151 0.000 0.866 553 T HN 0.226 nan 8.240 nan 0.000 0.444 554 L N 1.612 122.614 121.223 -0.369 0.000 1.994 554 L HA 0.077 4.463 4.340 0.077 0.000 0.208 554 L C 2.613 179.253 176.870 -0.383 0.000 1.071 554 L CA 2.108 56.552 54.840 -0.660 0.000 0.745 554 L CB -1.113 40.046 42.059 -1.499 0.000 0.892 554 L HN 0.195 nan 8.230 nan 0.000 0.431 555 A N -0.985 121.624 122.820 -0.351 0.000 1.883 555 A HA -0.289 4.077 4.320 0.077 0.000 0.217 555 A C 2.295 179.780 177.584 -0.164 0.000 1.186 555 A CA 2.074 53.956 52.037 -0.257 0.000 0.624 555 A CB -0.783 18.087 19.000 -0.217 0.000 0.822 555 A HN 0.691 nan 8.150 nan 0.000 0.444 556 Q N -1.068 118.658 119.800 -0.123 0.000 2.124 556 Q HA -0.090 4.296 4.340 0.077 0.000 0.202 556 Q C 2.401 178.376 176.000 -0.042 0.000 0.977 556 Q CA 1.226 56.987 55.803 -0.069 0.000 0.850 556 Q CB -0.317 28.393 28.738 -0.046 0.000 0.901 556 Q HN 0.706 nan 8.270 nan 0.000 0.429 557 A N -0.109 122.694 122.820 -0.029 0.000 1.898 557 A HA -0.125 4.242 4.320 0.077 0.000 0.216 557 A C 2.222 179.813 177.584 0.012 0.000 1.181 557 A CA 1.233 53.283 52.037 0.021 0.000 0.620 557 A CB -0.520 18.528 19.000 0.081 0.000 0.819 557 A HN 0.222 nan 8.150 nan 0.000 0.442 558 V N -0.114 119.781 119.914 -0.032 0.000 2.307 558 V HA -0.208 3.958 4.120 0.077 0.000 0.245 558 V C 3.061 179.129 176.094 -0.043 0.000 1.045 558 V CA 1.788 64.068 62.300 -0.034 0.000 1.024 558 V CB -1.309 30.445 31.823 -0.115 0.000 0.651 558 V HN 0.598 nan 8.190 nan 0.000 0.449 559 A N 0.113 122.895 122.820 -0.063 0.000 1.917 559 A HA -0.323 4.043 4.320 0.077 0.000 0.219 559 A C 2.341 179.909 177.584 -0.027 0.000 1.182 559 A CA 2.489 54.495 52.037 -0.052 0.000 0.633 559 A CB -0.538 18.428 19.000 -0.057 0.000 0.819 559 A HN 0.562 nan 8.150 nan 0.000 0.448 560 K N -0.615 119.776 120.400 -0.014 0.000 2.057 560 K HA -0.166 4.201 4.320 0.077 0.000 0.206 560 K C 1.572 178.178 176.600 0.011 0.000 1.050 560 K CA 1.520 57.808 56.287 0.002 0.000 0.935 560 K CB -0.195 32.313 32.500 0.013 0.000 0.715 560 K HN 0.400 nan 8.250 nan 0.000 0.439 561 N N 0.705 119.416 118.700 0.017 0.000 2.309 561 N HA -0.099 4.687 4.740 0.077 0.000 0.182 561 N C 1.143 176.658 175.510 0.009 0.000 1.018 561 N CA 0.905 53.971 53.050 0.027 0.000 0.876 561 N CB 0.075 38.590 38.487 0.047 0.000 0.972 561 N HN 0.259 nan 8.380 nan 0.000 0.434 562 L N -0.785 120.431 121.223 -0.011 0.000 2.700 562 L HA 0.274 4.660 4.340 0.077 0.000 0.234 562 L C 0.943 177.802 176.870 -0.019 0.000 1.156 562 L CA -0.140 54.685 54.840 -0.026 0.000 0.946 562 L CB -0.094 41.934 42.059 -0.051 0.000 1.216 562 L HN 0.080 nan 8.230 nan 0.000 0.493 563 G N 1.342 110.137 108.800 -0.009 0.000 2.225 563 G HA2 -0.295 3.711 3.960 0.077 0.000 0.267 563 G HA3 -0.295 3.711 3.960 0.077 0.000 0.267 563 G C 0.096 174.990 174.900 -0.009 0.000 1.024 563 G CA 0.198 45.295 45.100 -0.005 0.000 0.784 563 G HN 0.347 nan 8.290 nan 0.000 0.507 564 I N -0.430 120.130 120.570 -0.016 0.000 2.437 564 I HA 0.507 4.724 4.170 0.077 0.000 0.298 564 I C 0.215 176.320 176.117 -0.019 0.000 0.984 564 I CA -0.899 60.390 61.300 -0.018 0.000 1.214 564 I CB 1.804 39.788 38.000 -0.027 0.000 1.365 564 I HN 0.071 nan 8.210 nan 0.000 0.469 565 E N 5.380 125.570 120.200 -0.016 0.000 2.133 565 E HA 0.420 4.817 4.350 0.077 0.000 0.274 565 E C -1.031 175.556 176.600 -0.023 0.000 0.930 565 E CA -0.483 55.907 56.400 -0.017 0.000 0.770 565 E CB 1.026 30.719 29.700 -0.012 0.000 1.104 565 E HN 0.379 nan 8.360 nan 0.000 0.403 566 L N 3.678 124.882 121.223 -0.031 0.000 2.426 566 L HA 0.201 4.587 4.340 0.077 0.000 0.271 566 L C 0.978 177.828 176.870 -0.032 0.000 1.169 566 L CA -0.301 54.516 54.840 -0.039 0.000 0.836 566 L CB 0.462 42.489 42.059 -0.053 0.000 1.112 566 L HN 0.680 nan 8.230 nan 0.000 0.465 567 T N -2.147 112.387 114.554 -0.032 0.000 2.754 567 T HA 0.059 4.456 4.350 0.077 0.000 0.286 567 T C 0.745 175.425 174.700 -0.034 0.000 0.997 567 T CA -0.701 61.383 62.100 -0.027 0.000 0.982 567 T CB 1.033 69.888 68.868 -0.022 0.000 1.027 567 T HN 0.502 nan 8.240 nan 0.000 0.529 568 D N 0.350 120.733 120.400 -0.028 0.000 2.117 568 D HA -0.047 4.640 4.640 0.077 0.000 0.197 568 D C 1.718 177.993 176.300 -0.041 0.000 0.987 568 D CA 1.208 55.189 54.000 -0.031 0.000 0.829 568 D CB -0.371 40.415 40.800 -0.023 0.000 0.961 568 D HN 0.617 nan 8.370 nan 0.000 0.460 569 D N 0.264 120.640 120.400 -0.040 0.000 2.117 569 D HA -0.117 4.569 4.640 0.077 0.000 0.197 569 D C 2.114 178.365 176.300 -0.081 0.000 0.987 569 D CA 0.775 54.745 54.000 -0.051 0.000 0.829 569 D CB -0.248 40.531 40.800 -0.036 0.000 0.961 569 D HN 0.311 nan 8.370 nan 0.000 0.460 570 Q N -0.115 119.638 119.800 -0.079 0.000 2.061 570 Q HA -0.082 4.304 4.340 0.077 0.000 0.204 570 Q C 2.351 178.277 176.000 -0.124 0.000 0.984 570 Q CA 0.780 56.515 55.803 -0.114 0.000 0.846 570 Q CB -0.179 28.509 28.738 -0.084 0.000 0.902 570 Q HN 0.327 nan 8.270 nan 0.000 0.421 571 L N 0.766 121.936 121.223 -0.088 0.000 2.353 571 L HA -0.135 4.252 4.340 0.077 0.000 0.220 571 L C 1.200 178.020 176.870 -0.084 0.000 1.133 571 L CA 0.503 55.295 54.840 -0.080 0.000 0.798 571 L CB -0.197 41.828 42.059 -0.056 0.000 0.922 571 L HN 0.220 nan 8.230 nan 0.000 0.445 572 N N 0.088 118.736 118.700 -0.086 0.000 2.251 572 N HA 0.249 5.035 4.740 0.077 0.000 0.217 572 N C 0.179 175.625 175.510 -0.108 0.000 1.124 572 N CA 0.034 53.036 53.050 -0.080 0.000 0.843 572 N CB 0.610 39.063 38.487 -0.057 0.000 1.024 572 N HN 0.251 nan 8.380 nan 0.000 0.501 573 I N 1.626 122.097 120.570 -0.165 0.000 2.533 573 I HA -0.023 4.193 4.170 0.077 0.000 0.284 573 I C 0.543 176.558 176.117 -0.171 0.000 1.109 573 I CA 0.268 61.430 61.300 -0.231 0.000 1.412 573 I CB 0.423 38.157 38.000 -0.444 0.000 1.396 573 I HN -0.160 nan 8.210 nan 0.000 0.543 574 T N 7.910 122.391 114.554 -0.123 0.000 2.870 574 T HA 0.181 4.577 4.350 0.077 0.000 0.300 574 T C -2.049 172.606 174.700 -0.075 0.000 0.989 574 T CA -0.871 61.185 62.100 -0.074 0.000 1.139 574 T CB 0.255 69.102 68.868 -0.035 0.000 0.920 574 T HN 0.374 nan 8.240 nan 0.000 0.537 575 P HA 0.209 nan 4.420 nan 0.000 0.269 575 P C -2.380 174.929 177.300 0.015 0.000 1.215 575 P CA -1.340 61.742 63.100 -0.030 0.000 0.780 575 P CB -0.483 31.211 31.700 -0.010 0.000 0.898 576 P HA 0.218 nan 4.420 nan 0.000 0.272 576 P C -2.410 174.940 177.300 0.083 0.000 1.230 576 P CA -1.352 61.810 63.100 0.105 0.000 0.788 576 P CB -0.942 30.865 31.700 0.178 0.000 0.949 577 P HA 0.104 nan 4.420 nan 0.000 0.271 577 P C -0.190 177.156 177.300 0.076 0.000 1.233 577 P CA 0.160 63.303 63.100 0.072 0.000 0.789 577 P CB 0.352 32.097 31.700 0.074 0.000 0.951 578 D N -0.508 119.931 120.400 0.064 0.000 2.358 578 D HA 0.113 4.799 4.640 0.077 0.000 0.244 578 D C -0.175 176.169 176.300 0.073 0.000 1.163 578 D CA -0.092 53.942 54.000 0.057 0.000 0.945 578 D CB 0.692 41.520 40.800 0.046 0.000 1.152 578 D HN -0.026 nan 8.370 nan 0.000 0.451 579 V N 2.528 122.476 119.914 0.056 0.000 2.372 579 V HA 0.014 4.180 4.120 0.077 0.000 0.261 579 V C 0.230 176.412 176.094 0.147 0.000 1.055 579 V CA -0.303 62.057 62.300 0.101 0.000 0.930 579 V CB -0.525 31.258 31.823 -0.066 0.000 1.031 579 V HN 0.607 nan 8.190 nan 0.000 0.479 580 N N 4.683 123.485 118.700 0.170 0.000 2.699 580 N HA -0.231 4.555 4.740 0.077 0.000 0.256 580 N C 1.194 176.757 175.510 0.088 0.000 0.993 580 N CA 0.856 53.983 53.050 0.130 0.000 0.759 580 N CB -0.857 37.737 38.487 0.179 0.000 0.906 580 N HN 1.247 nan 8.380 nan 0.000 0.541 581 G N -1.635 107.205 108.800 0.067 0.000 2.189 581 G HA2 -0.347 3.660 3.960 0.077 0.000 0.267 581 G HA3 -0.347 3.660 3.960 0.077 0.000 0.267 581 G C 0.176 175.103 174.900 0.045 0.000 0.975 581 G CA 0.467 45.596 45.100 0.049 0.000 0.644 581 G HN 0.436 nan 8.290 nan 0.000 0.537 582 L N 0.183 121.437 121.223 0.052 0.000 2.319 582 L HA 0.357 4.743 4.340 0.077 0.000 0.280 582 L C 1.528 178.412 176.870 0.023 0.000 1.099 582 L CA -0.209 54.653 54.840 0.037 0.000 0.828 582 L CB 1.074 43.155 42.059 0.037 0.000 1.150 582 L HN 0.056 nan 8.230 nan 0.000 0.442 583 K N 3.020 123.430 120.400 0.015 0.000 2.374 583 K HA 0.118 4.484 4.320 0.077 0.000 0.196 583 K C -0.364 176.233 176.600 -0.007 0.000 1.023 583 K CA 0.160 56.453 56.287 0.010 0.000 1.103 583 K CB 0.422 32.927 32.500 0.008 0.000 0.848 583 K HN 0.585 nan 8.250 nan 0.000 0.528 584 K N -0.510 119.882 120.400 -0.013 0.000 2.818 584 K HA 0.190 4.556 4.320 0.077 0.000 0.287 584 K C -2.204 174.383 176.600 -0.021 0.000 1.061 584 K CA -0.942 55.323 56.287 -0.037 0.000 0.858 584 K CB 1.045 33.506 32.500 -0.065 0.000 1.456 584 K HN -0.242 nan 8.250 nan 0.000 0.364 585 D N 1.725 122.107 120.400 -0.030 0.000 2.375 585 D HA 0.313 4.999 4.640 0.077 0.000 0.241 585 D C -2.146 174.146 176.300 -0.014 0.000 1.361 585 D CA -2.022 51.981 54.000 0.004 0.000 0.995 585 D CB 2.098 42.923 40.800 0.041 0.000 1.312 585 D HN 0.264 nan 8.370 nan 0.000 0.576 586 P HA -0.135 nan 4.420 nan 0.000 0.219 586 P C 1.330 178.631 177.300 0.001 0.000 1.146 586 P CA 0.989 64.071 63.100 -0.032 0.000 0.808 586 P CB 0.184 31.875 31.700 -0.015 0.000 0.779 587 S N -1.150 114.584 115.700 0.056 0.000 2.507 587 S HA -0.062 4.455 4.470 0.077 0.000 0.235 587 S C 1.669 176.363 174.600 0.157 0.000 0.988 587 S CA 0.766 59.035 58.200 0.116 0.000 0.944 587 S CB -1.406 61.887 63.200 0.155 0.000 0.762 587 S HN 0.143 nan 8.310 nan 0.000 0.526 588 L N 1.178 122.462 121.223 0.102 0.000 2.492 588 L HA 0.212 4.599 4.340 0.077 0.000 0.223 588 L C 1.451 178.256 176.870 -0.109 0.000 1.132 588 L CA 0.095 55.010 54.840 0.125 0.000 0.850 588 L CB -0.321 41.813 42.059 0.124 0.000 0.966 588 L HN 0.319 nan 8.230 nan 0.000 0.454 589 S N -0.307 115.294 115.700 -0.165 0.000 2.586 589 S HA 0.291 4.807 4.470 0.077 0.000 0.274 589 S C 1.098 175.585 174.600 -0.187 0.000 1.281 589 S CA -0.614 57.426 58.200 -0.266 0.000 1.035 589 S CB 1.323 64.362 63.200 -0.268 0.000 0.962 589 S HN 0.166 nan 8.310 nan 0.000 0.512 590 L N 3.202 124.228 121.223 -0.329 0.000 2.109 590 L HA 0.008 4.395 4.340 0.077 0.000 0.207 590 L C 0.898 177.476 176.870 -0.486 0.000 1.086 590 L CA 1.172 55.711 54.840 -0.502 0.000 0.760 590 L CB -0.282 41.151 42.059 -1.043 0.000 0.910 590 L HN 0.774 nan 8.230 nan 0.000 0.437 591 Y N -2.299 118.017 120.300 0.027 0.000 2.432 591 Y HA 0.351 4.947 4.550 0.078 0.000 0.252 591 Y C 2.140 178.072 175.900 0.053 0.000 1.097 591 Y CA -0.167 57.997 58.100 0.108 0.000 1.250 591 Y CB -0.557 38.030 38.460 0.213 0.000 1.245 591 Y HN -0.042 nan 8.280 nan 0.000 0.522 592 A N 1.007 123.860 122.820 0.055 0.000 1.892 592 A HA -0.131 4.236 4.320 0.077 0.000 0.218 592 A C 1.025 178.651 177.584 0.070 0.000 1.188 592 A CA 1.203 53.248 52.037 0.013 0.000 0.631 592 A CB -0.834 18.119 19.000 -0.079 0.000 0.822 592 A HN 0.306 nan 8.150 nan 0.000 0.447 593 I N 1.636 122.251 120.570 0.075 0.000 2.307 593 I HA 0.209 4.426 4.170 0.077 0.000 0.289 593 I C -2.322 173.870 176.117 0.126 0.000 1.021 593 I CA -2.191 59.161 61.300 0.086 0.000 1.224 593 I CB 1.166 39.206 38.000 0.066 0.000 1.376 593 I HN 0.086 nan 8.210 nan 0.000 0.470 594 P HA -0.038 nan 4.420 nan 0.000 0.260 594 P C -0.313 177.065 177.300 0.130 0.000 1.172 594 P CA 0.349 63.542 63.100 0.154 0.000 0.760 594 P CB 0.428 32.202 31.700 0.123 0.000 0.773 595 D N 1.392 121.880 120.400 0.147 0.000 2.712 595 D HA 0.076 4.762 4.640 0.077 0.000 0.300 595 D C 0.463 176.827 176.300 0.107 0.000 1.521 595 D CA -0.454 53.614 54.000 0.114 0.000 0.790 595 D CB -0.409 40.457 40.800 0.109 0.000 1.155 595 D HN 0.291 nan 8.370 nan 0.000 0.456 596 G N 0.701 109.570 108.800 0.116 0.000 2.346 596 G HA2 0.281 4.287 3.960 0.077 0.000 0.275 596 G HA3 0.281 4.287 3.960 0.077 0.000 0.275 596 G C -0.626 174.314 174.900 0.066 0.000 1.190 596 G CA -0.080 45.081 45.100 0.102 0.000 1.015 596 G HN 0.157 nan 8.290 nan 0.000 0.441 597 D N 2.095 122.527 120.400 0.054 0.000 2.425 597 D HA 0.200 4.886 4.640 0.077 0.000 0.240 597 D C 1.262 177.578 176.300 0.026 0.000 1.080 597 D CA -0.719 53.300 54.000 0.031 0.000 0.836 597 D CB 1.932 42.744 40.800 0.021 0.000 1.125 597 D HN 0.209 nan 8.370 nan 0.000 0.525 598 V N 2.060 121.983 119.914 0.015 0.000 3.129 598 V HA 0.179 4.346 4.120 0.077 0.000 0.259 598 V C 1.059 177.144 176.094 -0.014 0.000 1.116 598 V CA 0.177 62.482 62.300 0.009 0.000 1.127 598 V CB -0.722 31.101 31.823 -0.000 0.000 0.742 598 V HN 0.390 nan 8.190 nan 0.000 0.474 599 K N 1.185 121.568 120.400 -0.028 0.000 2.484 599 K HA 0.354 4.721 4.320 0.077 0.000 0.280 599 K C 1.264 177.841 176.600 -0.039 0.000 1.013 599 K CA 1.121 57.373 56.287 -0.058 0.000 1.029 599 K CB 0.090 32.557 32.500 -0.056 0.000 0.902 599 K HN 0.717 nan 8.250 nan 0.000 0.481 600 G N 3.175 111.939 108.800 -0.059 0.000 2.213 600 G HA2 -0.214 3.793 3.960 0.077 0.000 0.236 600 G HA3 -0.214 3.793 3.960 0.077 0.000 0.236 600 G C 0.115 175.086 174.900 0.119 0.000 0.991 600 G CA -0.216 44.922 45.100 0.063 0.000 0.629 600 G HN 0.565 nan 8.290 nan 0.000 0.517 601 R N -0.093 120.442 120.500 0.059 0.000 2.738 601 R HA 0.695 5.082 4.340 0.077 0.000 0.275 601 R C 0.108 176.480 176.300 0.120 0.000 1.121 601 R CA 0.079 56.234 56.100 0.092 0.000 1.207 601 R CB 0.687 31.030 30.300 0.071 0.000 1.141 601 R HN 0.794 nan 8.270 nan 0.000 0.571 602 V N 0.040 120.031 119.914 0.129 0.000 2.932 602 V HA 0.441 4.607 4.120 0.077 0.000 0.307 602 V C -1.184 174.978 176.094 0.113 0.000 1.147 602 V CA -0.723 61.665 62.300 0.146 0.000 0.951 602 V CB 2.507 34.436 31.823 0.176 0.000 1.031 602 V HN 0.350 nan 8.190 nan 0.000 0.426 603 V N 5.404 125.378 119.914 0.101 0.000 2.628 603 V HA 0.843 5.010 4.120 0.077 0.000 0.306 603 V C 0.515 176.664 176.094 0.092 0.000 1.045 603 V CA -0.134 62.215 62.300 0.082 0.000 0.905 603 V CB 1.773 33.630 31.823 0.056 0.000 0.997 603 V HN 1.224 nan 8.190 nan 0.000 0.436 604 A N 5.504 128.384 122.820 0.099 0.000 2.328 604 A HA 0.773 5.140 4.320 0.077 0.000 0.284 604 A C -0.464 177.129 177.584 0.014 0.000 1.160 604 A CA -0.287 51.797 52.037 0.077 0.000 0.818 604 A CB 0.066 19.140 19.000 0.124 0.000 1.087 604 A HN 0.759 nan 8.150 nan 0.000 0.504 605 I N 3.636 124.211 120.570 0.009 0.000 2.354 605 I HA 0.198 4.414 4.170 0.077 0.000 0.286 605 I C -0.616 175.505 176.117 0.007 0.000 1.007 605 I CA -0.205 61.100 61.300 0.009 0.000 1.167 605 I CB 1.309 39.325 38.000 0.027 0.000 1.320 605 I HN 0.491 nan 8.210 nan 0.000 0.458 606 L N 7.380 128.596 121.223 -0.011 0.000 2.312 606 L HA 0.402 4.788 4.340 0.077 0.000 0.287 606 L C 0.075 177.039 176.870 0.156 0.000 1.091 606 L CA -0.306 54.588 54.840 0.090 0.000 0.846 606 L CB 0.079 42.056 42.059 -0.137 0.000 1.219 606 L HN 0.461 nan 8.230 nan 0.000 0.439 607 L N 3.551 124.906 121.223 0.221 0.000 2.475 607 L HA 0.307 4.694 4.340 0.077 0.000 0.253 607 L C 0.196 177.238 176.870 0.287 0.000 1.198 607 L CA -0.293 54.634 54.840 0.146 0.000 0.814 607 L CB 0.888 42.938 42.059 -0.016 0.000 1.134 607 L HN 0.712 nan 8.230 nan 0.000 0.478 608 N N -2.285 116.482 118.700 0.111 0.000 2.831 608 N HA 0.245 5.032 4.740 0.077 0.000 0.276 608 N C -0.643 174.824 175.510 -0.073 0.000 1.416 608 N CA -0.754 52.406 53.050 0.184 0.000 0.799 608 N CB 0.673 39.269 38.487 0.182 0.000 1.554 608 N HN 0.499 nan 8.380 nan 0.000 0.541 609 D N -2.219 118.181 120.400 -0.001 0.000 2.340 609 D HA 0.070 4.756 4.640 0.077 0.000 0.220 609 D C -0.222 176.044 176.300 -0.058 0.000 1.039 609 D CA 0.507 54.451 54.000 -0.093 0.000 0.866 609 D CB 0.026 40.840 40.800 0.022 0.000 0.913 609 D HN 0.632 nan 8.370 nan 0.000 0.523 610 E N 0.309 120.490 120.200 -0.031 0.000 4.090 610 E HA 0.198 4.594 4.350 0.077 0.000 0.235 610 E C -1.302 175.284 176.600 -0.023 0.000 1.187 610 E CA -0.457 55.927 56.400 -0.025 0.000 1.308 610 E CB 0.452 30.147 29.700 -0.008 0.000 1.222 610 E HN -0.080 nan 8.360 nan 0.000 0.414 611 V N 2.035 121.926 119.914 -0.039 0.000 2.599 611 V HA 0.096 4.262 4.120 0.077 0.000 0.300 611 V C 1.006 177.082 176.094 -0.030 0.000 1.034 611 V CA 0.198 62.480 62.300 -0.031 0.000 1.115 611 V CB 0.685 32.482 31.823 -0.043 0.000 0.934 611 V HN 0.408 nan 8.190 nan 0.000 0.485 612 R N 3.327 123.811 120.500 -0.027 0.000 2.402 612 R HA 0.031 4.417 4.340 0.077 0.000 0.331 612 R C 1.603 177.880 176.300 -0.038 0.000 1.040 612 R CA 0.478 56.558 56.100 -0.034 0.000 0.980 612 R CB 0.454 30.729 30.300 -0.043 0.000 0.967 612 R HN 1.021 nan 8.270 nan 0.000 0.440 613 S N 2.471 118.150 115.700 -0.034 0.000 2.419 613 S HA -0.195 4.322 4.470 0.077 0.000 0.233 613 S C 1.963 176.543 174.600 -0.034 0.000 1.016 613 S CA 0.929 59.110 58.200 -0.032 0.000 0.974 613 S CB 0.043 63.227 63.200 -0.027 0.000 0.786 613 S HN 0.653 nan 8.310 nan 0.000 0.492 614 A N 2.353 125.150 122.820 -0.038 0.000 1.902 614 A HA -0.104 4.262 4.320 0.077 0.000 0.217 614 A C 1.982 179.531 177.584 -0.057 0.000 1.181 614 A CA 1.670 53.682 52.037 -0.043 0.000 0.623 614 A CB -0.885 18.088 19.000 -0.044 0.000 0.818 614 A HN 0.475 nan 8.150 nan 0.000 0.443 615 D N -0.476 119.879 120.400 -0.075 0.000 2.097 615 D HA -0.122 4.564 4.640 0.077 0.000 0.195 615 D C 1.839 178.100 176.300 -0.066 0.000 0.989 615 D CA 1.132 55.068 54.000 -0.106 0.000 0.827 615 D CB -0.408 40.314 40.800 -0.131 0.000 0.966 615 D HN 0.300 nan 8.370 nan 0.000 0.456 616 L N 0.544 121.742 121.223 -0.042 0.000 2.017 616 L HA -0.108 4.279 4.340 0.077 0.000 0.208 616 L C 2.264 179.127 176.870 -0.012 0.000 1.073 616 L CA 1.235 56.063 54.840 -0.020 0.000 0.745 616 L CB -0.755 41.292 42.059 -0.020 0.000 0.894 616 L HN 0.036 nan 8.230 nan 0.000 0.432 617 L N -0.533 120.680 121.223 -0.017 0.000 2.042 617 L HA -0.191 4.196 4.340 0.077 0.000 0.210 617 L C 2.435 179.302 176.870 -0.005 0.000 1.076 617 L CA 2.132 56.965 54.840 -0.011 0.000 0.749 617 L CB -0.746 41.304 42.059 -0.015 0.000 0.893 617 L HN 0.279 nan 8.230 nan 0.000 0.432 618 A N -0.383 122.429 122.820 -0.012 0.000 1.898 618 A HA -0.136 4.230 4.320 0.077 0.000 0.216 618 A C 2.213 179.810 177.584 0.022 0.000 1.181 618 A CA 1.904 53.939 52.037 -0.003 0.000 0.620 618 A CB -0.838 18.147 19.000 -0.025 0.000 0.819 618 A HN 0.513 nan 8.150 nan 0.000 0.442 619 I N -0.075 120.509 120.570 0.024 0.000 2.142 619 I HA -0.276 3.940 4.170 0.077 0.000 0.240 619 I C 2.332 178.474 176.117 0.043 0.000 1.078 619 I CA 1.352 62.688 61.300 0.060 0.000 1.343 619 I CB -0.376 37.663 38.000 0.066 0.000 1.046 619 I HN 0.279 nan 8.210 nan 0.000 0.405 620 L N 0.306 121.545 121.223 0.026 0.000 2.141 620 L HA -0.184 4.202 4.340 0.077 0.000 0.209 620 L C 2.623 179.501 176.870 0.013 0.000 1.094 620 L CA 1.033 55.885 54.840 0.020 0.000 0.763 620 L CB -0.766 41.303 42.059 0.016 0.000 0.908 620 L HN 0.266 nan 8.230 nan 0.000 0.437 621 K N 1.104 121.511 120.400 0.012 0.000 2.026 621 K HA -0.181 4.185 4.320 0.077 0.000 0.208 621 K C 2.103 178.708 176.600 0.009 0.000 1.048 621 K CA 1.645 57.937 56.287 0.008 0.000 0.929 621 K CB -0.034 32.471 32.500 0.007 0.000 0.713 621 K HN 0.269 nan 8.250 nan 0.000 0.439 622 A N 1.497 124.328 122.820 0.019 0.000 1.930 622 A HA -0.064 4.303 4.320 0.077 0.000 0.217 622 A C 2.274 179.861 177.584 0.005 0.000 1.175 622 A CA 0.897 52.945 52.037 0.018 0.000 0.627 622 A CB -0.432 18.590 19.000 0.038 0.000 0.815 622 A HN 0.294 nan 8.150 nan 0.000 0.443 623 L N -0.580 120.646 121.223 0.006 0.000 2.046 623 L HA -0.202 4.184 4.340 0.077 0.000 0.208 623 L C 2.669 179.514 176.870 -0.042 0.000 1.077 623 L CA 1.989 56.821 54.840 -0.014 0.000 0.747 623 L CB -0.474 41.585 42.059 -0.000 0.000 0.896 623 L HN 0.473 nan 8.230 nan 0.000 0.432 624 K N 0.382 120.765 120.400 -0.029 0.000 2.097 624 K HA -0.165 4.201 4.320 0.077 0.000 0.206 624 K C 2.075 178.651 176.600 -0.040 0.000 1.049 624 K CA 1.244 57.508 56.287 -0.038 0.000 0.933 624 K CB -0.001 32.490 32.500 -0.016 0.000 0.717 624 K HN 0.266 nan 8.250 nan 0.000 0.442 625 A N 1.175 123.979 122.820 -0.025 0.000 1.969 625 A HA -0.087 4.279 4.320 0.077 0.000 0.218 625 A C 1.622 179.187 177.584 -0.031 0.000 1.169 625 A CA 1.211 53.235 52.037 -0.022 0.000 0.635 625 A CB -0.079 18.915 19.000 -0.010 0.000 0.810 625 A HN 0.144 nan 8.150 nan 0.000 0.445 626 K N -1.183 119.193 120.400 -0.040 0.000 2.374 626 K HA 0.175 4.542 4.320 0.077 0.000 0.196 626 K C 0.957 177.509 176.600 -0.080 0.000 1.023 626 K CA 0.646 56.904 56.287 -0.047 0.000 1.103 626 K CB -0.024 32.455 32.500 -0.035 0.000 0.848 626 K HN 0.700 nan 8.250 nan 0.000 0.528 627 G N 1.696 110.428 108.800 -0.114 0.000 2.198 627 G HA2 -0.231 3.776 3.960 0.077 0.000 0.260 627 G HA3 -0.231 3.776 3.960 0.077 0.000 0.260 627 G C 0.037 174.745 174.900 -0.320 0.000 1.025 627 G CA 0.220 45.201 45.100 -0.198 0.000 0.769 627 G HN 0.116 nan 8.290 nan 0.000 0.507 628 V N 2.275 122.043 119.914 -0.244 0.000 2.439 628 V HA 0.435 4.601 4.120 0.077 0.000 0.282 628 V C 0.764 176.713 176.094 -0.242 0.000 1.039 628 V CA -1.091 61.083 62.300 -0.211 0.000 0.913 628 V CB 1.234 33.012 31.823 -0.076 0.000 0.983 628 V HN 0.372 nan 8.190 nan 0.000 0.460 629 H N 2.477 121.557 119.070 0.018 0.000 2.508 629 H HA 0.756 5.358 4.556 0.077 0.000 0.358 629 H C 0.120 175.466 175.328 0.030 0.000 1.212 629 H CA -0.089 55.971 56.048 0.020 0.000 1.356 629 H CB 1.852 31.627 29.762 0.022 0.000 1.525 629 H HN 0.762 nan 8.280 nan 0.000 0.578 630 A N 1.355 124.277 122.820 0.170 0.000 2.435 630 A HA 0.533 4.899 4.320 0.077 0.000 0.304 630 A C -0.764 176.874 177.584 0.091 0.000 1.064 630 A CA -0.934 51.166 52.037 0.106 0.000 0.727 630 A CB 1.397 20.440 19.000 0.072 0.000 1.284 630 A HN 0.738 nan 8.150 nan 0.000 0.415 631 K N 2.244 122.691 120.400 0.078 0.000 2.502 631 K HA 0.660 5.027 4.320 0.077 0.000 0.254 631 K C -1.578 175.048 176.600 0.044 0.000 0.947 631 K CA -0.447 55.878 56.287 0.063 0.000 0.834 631 K CB 1.304 33.851 32.500 0.079 0.000 1.112 631 K HN 0.501 nan 8.250 nan 0.000 0.427 632 L N 5.254 126.492 121.223 0.025 0.000 2.278 632 L HA 0.352 4.738 4.340 0.077 0.000 0.287 632 L C -0.439 176.427 176.870 -0.007 0.000 1.072 632 L CA -0.702 54.143 54.840 0.008 0.000 0.819 632 L CB 0.221 42.277 42.059 -0.005 0.000 1.176 632 L HN 0.529 nan 8.230 nan 0.000 0.435 633 L N 3.805 125.021 121.223 -0.012 0.000 2.334 633 L HA 0.596 4.982 4.340 0.077 0.000 0.273 633 L C -0.827 175.919 176.870 -0.207 0.000 1.013 633 L CA -0.772 54.010 54.840 -0.096 0.000 0.816 633 L CB 1.901 43.931 42.059 -0.048 0.000 1.278 633 L HN 0.399 nan 8.230 nan 0.000 0.431 634 Y N -0.479 119.367 120.300 -0.757 0.000 2.728 634 Y HA 0.185 4.781 4.550 0.077 0.000 0.330 634 Y C 0.849 176.026 175.900 -1.204 0.000 1.234 634 Y CA -0.950 56.608 58.100 -0.905 0.000 1.070 634 Y CB 1.715 39.973 38.460 -0.336 0.000 1.300 634 Y HN 0.570 nan 8.280 nan 0.000 0.467 635 S N 0.873 115.707 115.700 -1.443 0.000 2.561 635 S HA 0.169 4.686 4.470 0.077 0.000 0.225 635 S C 0.113 174.442 174.600 -0.451 0.000 0.977 635 S CA 0.527 58.274 58.200 -0.755 0.000 0.926 635 S CB -0.355 62.533 63.200 -0.519 0.000 0.769 635 S HN 0.607 nan 8.310 nan 0.000 0.533 636 R N -1.396 118.888 120.500 -0.361 0.000 2.752 636 R HA 0.615 5.001 4.340 0.077 0.000 0.271 636 R C -0.917 175.378 176.300 -0.009 0.000 1.026 636 R CA -1.112 54.921 56.100 -0.112 0.000 0.901 636 R CB 0.530 30.811 30.300 -0.031 0.000 1.243 636 R HN -0.078 nan 8.270 nan 0.000 0.463 637 M N 0.035 119.635 119.600 -0.000 0.000 2.310 637 M HA 0.530 5.056 4.480 0.077 0.000 0.241 637 M C 1.036 177.354 176.300 0.030 0.000 1.162 637 M CA 0.793 56.099 55.300 0.010 0.000 0.958 637 M CB 0.484 33.081 32.600 -0.004 0.000 1.348 637 M HN 1.052 nan 8.290 nan 0.000 0.541 638 G N 0.742 109.550 108.800 0.013 0.000 2.662 638 G HA2 -0.148 3.858 3.960 0.077 0.000 0.236 638 G HA3 -0.148 3.858 3.960 0.077 0.000 0.236 638 G C -0.739 174.158 174.900 -0.006 0.000 1.212 638 G CA -0.298 44.807 45.100 0.008 0.000 0.968 638 G HN 0.628 nan 8.290 nan 0.000 0.576 639 E N -1.215 118.975 120.200 -0.016 0.000 2.429 639 E HA 0.606 5.002 4.350 0.077 0.000 0.276 639 E C -0.674 175.866 176.600 -0.099 0.000 0.953 639 E CA -0.417 55.951 56.400 -0.054 0.000 0.787 639 E CB 3.041 32.717 29.700 -0.041 0.000 1.307 639 E HN 1.325 nan 8.360 nan 0.000 0.458 640 V N -1.771 118.047 119.914 -0.160 0.000 2.876 640 V HA 0.702 4.868 4.120 0.077 0.000 0.312 640 V C -0.584 175.426 176.094 -0.140 0.000 1.085 640 V CA -0.704 61.466 62.300 -0.217 0.000 0.945 640 V CB 1.893 33.450 31.823 -0.444 0.000 1.017 640 V HN 0.620 nan 8.190 nan 0.000 0.428 641 T N 3.330 117.819 114.554 -0.108 0.000 2.767 641 T HA 0.765 5.161 4.350 0.077 0.000 0.284 641 T C 0.464 175.121 174.700 -0.072 0.000 0.973 641 T CA 0.339 62.395 62.100 -0.073 0.000 0.996 641 T CB 1.341 70.180 68.868 -0.049 0.000 0.927 641 T HN 1.372 nan 8.240 nan 0.000 0.456 642 A N 2.453 125.236 122.820 -0.061 0.000 2.310 642 A HA 0.324 4.691 4.320 0.077 0.000 0.260 642 A C 1.554 179.115 177.584 -0.038 0.000 1.112 642 A CA -0.339 51.667 52.037 -0.052 0.000 0.804 642 A CB 0.033 19.006 19.000 -0.045 0.000 1.081 642 A HN 0.898 nan 8.150 nan 0.000 0.499 643 D N -0.354 120.027 120.400 -0.032 0.000 2.263 643 D HA -0.172 4.514 4.640 0.077 0.000 0.208 643 D C 0.546 176.832 176.300 -0.023 0.000 0.971 643 D CA 1.452 55.437 54.000 -0.025 0.000 0.867 643 D CB -0.234 40.553 40.800 -0.022 0.000 0.929 643 D HN 0.581 nan 8.370 nan 0.000 0.492 644 D N -1.249 119.137 120.400 -0.024 0.000 2.388 644 D HA 0.202 4.888 4.640 0.077 0.000 0.221 644 D C 1.560 177.848 176.300 -0.020 0.000 1.133 644 D CA 0.212 54.200 54.000 -0.020 0.000 0.831 644 D CB -0.223 40.566 40.800 -0.019 0.000 0.962 644 D HN 0.308 nan 8.370 nan 0.000 0.502 645 G N 0.032 108.818 108.800 -0.022 0.000 2.159 645 G HA2 -0.275 3.731 3.960 0.077 0.000 0.256 645 G HA3 -0.275 3.731 3.960 0.077 0.000 0.256 645 G C 0.378 175.264 174.900 -0.024 0.000 0.977 645 G CA 0.368 45.455 45.100 -0.022 0.000 0.652 645 G HN 0.438 nan 8.290 nan 0.000 0.531 646 T N 1.074 115.612 114.554 -0.026 0.000 2.853 646 T HA 0.409 4.805 4.350 0.077 0.000 0.298 646 T C 0.692 175.372 174.700 -0.034 0.000 0.978 646 T CA 0.066 62.150 62.100 -0.027 0.000 1.152 646 T CB 1.916 70.768 68.868 -0.026 0.000 0.914 646 T HN 0.431 nan 8.240 nan 0.000 0.539 647 V N 6.213 126.109 119.914 -0.031 0.000 2.385 647 V HA 0.268 4.434 4.120 0.077 0.000 0.269 647 V C 0.204 176.274 176.094 -0.039 0.000 1.043 647 V CA -0.482 61.796 62.300 -0.036 0.000 0.906 647 V CB 0.370 32.176 31.823 -0.028 0.000 0.995 647 V HN 0.691 nan 8.190 nan 0.000 0.467 648 L N 8.341 129.531 121.223 -0.055 0.000 2.277 648 L HA 0.435 4.821 4.340 0.077 0.000 0.284 648 L C -2.349 174.487 176.870 -0.057 0.000 1.028 648 L CA -1.779 53.028 54.840 -0.055 0.000 0.835 648 L CB 1.627 43.642 42.059 -0.074 0.000 1.215 648 L HN 0.422 nan 8.230 nan 0.000 0.425 649 P HA 0.160 nan 4.420 nan 0.000 0.271 649 P C -0.455 176.828 177.300 -0.029 0.000 1.216 649 P CA 0.034 63.117 63.100 -0.027 0.000 0.771 649 P CB 0.648 32.340 31.700 -0.014 0.000 0.864 650 I N 2.108 122.663 120.570 -0.026 0.000 2.325 650 I HA 0.198 4.415 4.170 0.077 0.000 0.291 650 I C 1.520 177.629 176.117 -0.012 0.000 1.019 650 I CA -0.235 61.052 61.300 -0.022 0.000 1.302 650 I CB 1.283 39.278 38.000 -0.009 0.000 1.401 650 I HN 0.376 nan 8.210 nan 0.000 0.485 651 A N 5.368 128.183 122.820 -0.008 0.000 1.897 651 A HA 0.444 4.810 4.320 0.077 0.000 0.215 651 A C 1.042 178.627 177.584 0.002 0.000 1.181 651 A CA 1.487 53.526 52.037 0.003 0.000 0.620 651 A CB -0.052 18.958 19.000 0.015 0.000 0.821 651 A HN 0.844 nan 8.150 nan 0.000 0.443 652 A N -2.554 120.260 122.820 -0.010 0.000 2.540 652 A HA 0.564 4.930 4.320 0.077 0.000 0.291 652 A C -0.046 177.500 177.584 -0.063 0.000 1.083 652 A CA 0.068 52.098 52.037 -0.011 0.000 0.650 652 A CB -0.318 18.700 19.000 0.029 0.000 1.292 652 A HN 0.794 nan 8.150 nan 0.000 0.435 653 T N -1.645 112.869 114.554 -0.066 0.000 2.824 653 T HA 0.583 4.979 4.350 0.077 0.000 0.277 653 T C 0.964 175.638 174.700 -0.044 0.000 0.975 653 T CA 0.075 62.074 62.100 -0.168 0.000 0.966 653 T CB 0.122 68.918 68.868 -0.118 0.000 1.054 653 T HN 0.475 nan 8.240 nan 0.000 0.533 654 F N 0.471 120.453 119.950 0.053 0.000 2.095 654 F HA -0.020 4.553 4.527 0.077 0.000 0.298 654 F C 2.982 178.924 175.800 0.237 0.000 1.104 654 F CA 1.126 59.213 58.000 0.146 0.000 1.232 654 F CB -0.686 38.365 39.000 0.086 0.000 0.987 654 F HN 0.691 nan 8.300 nan 0.000 0.475 655 A N 0.264 123.257 122.820 0.289 0.000 1.968 655 A HA 0.055 4.422 4.320 0.077 0.000 0.217 655 A C 2.426 180.082 177.584 0.121 0.000 1.169 655 A CA 1.337 53.482 52.037 0.180 0.000 0.638 655 A CB -1.428 17.638 19.000 0.109 0.000 0.812 655 A HN 0.396 nan 8.150 nan 0.000 0.446 656 G N -0.654 108.205 108.800 0.098 0.000 2.422 656 G HA2 0.236 4.243 3.960 0.077 0.000 0.218 656 G HA3 0.236 4.243 3.960 0.077 0.000 0.218 656 G C 0.683 175.631 174.900 0.080 0.000 1.140 656 G CA 1.023 46.161 45.100 0.064 0.000 0.775 656 G HN 1.106 nan 8.290 nan 0.000 0.545 657 A N 0.825 123.726 122.820 0.135 0.000 3.030 657 A HA 0.691 5.057 4.320 0.077 0.000 0.335 657 A C -2.625 175.095 177.584 0.225 0.000 1.089 657 A CA -1.198 50.929 52.037 0.151 0.000 0.807 657 A CB 1.242 20.332 19.000 0.150 0.000 1.099 657 A HN 0.099 nan 8.150 nan 0.000 0.474 658 P HA -0.008 nan 4.420 nan 0.000 0.270 658 P C 1.372 178.487 177.300 -0.309 0.000 1.221 658 P CA 0.520 63.545 63.100 -0.125 0.000 0.788 658 P CB 0.670 32.295 31.700 -0.125 0.000 0.904 659 S N 0.953 116.101 115.700 -0.920 0.000 2.440 659 S HA -0.165 4.351 4.470 0.077 0.000 0.238 659 S C 1.775 176.240 174.600 -0.225 0.000 1.010 659 S CA 1.092 58.928 58.200 -0.607 0.000 0.972 659 S CB -1.359 61.425 63.200 -0.693 0.000 0.774 659 S HN 0.366 nan 8.310 nan 0.000 0.501 660 L N 1.822 122.910 121.223 -0.225 0.000 2.129 660 L HA -0.107 4.280 4.340 0.077 0.000 0.212 660 L C 2.945 179.648 176.870 -0.279 0.000 1.087 660 L CA 1.677 56.377 54.840 -0.232 0.000 0.757 660 L CB -1.634 40.254 42.059 -0.286 0.000 0.896 660 L HN 0.626 nan 8.230 nan 0.000 0.434 661 T N -3.140 111.323 114.554 -0.151 0.000 3.129 661 T HA 0.206 4.602 4.350 0.077 0.000 0.251 661 T C 0.464 175.268 174.700 0.173 0.000 1.117 661 T CA 0.218 62.318 62.100 0.000 0.000 1.034 661 T CB -0.394 68.564 68.868 0.151 0.000 0.968 661 T HN 0.193 nan 8.240 nan 0.000 0.526 662 V N -2.572 117.402 119.914 0.099 0.000 3.158 662 V HA 0.586 4.752 4.120 0.077 0.000 0.315 662 V C -0.102 176.043 176.094 0.086 0.000 1.148 662 V CA -0.927 61.453 62.300 0.134 0.000 1.042 662 V CB 2.008 33.922 31.823 0.152 0.000 1.101 662 V HN -0.033 nan 8.190 nan 0.000 0.448 663 D N 0.582 121.033 120.400 0.084 0.000 2.388 663 D HA 0.522 5.209 4.640 0.077 0.000 0.208 663 D C 0.528 176.819 176.300 -0.015 0.000 1.035 663 D CA 1.451 55.476 54.000 0.041 0.000 0.875 663 D CB 1.549 42.393 40.800 0.074 0.000 0.984 663 D HN 0.986 nan 8.370 nan 0.000 0.508 664 A N 0.051 122.878 122.820 0.011 0.000 2.601 664 A HA 0.546 4.912 4.320 0.077 0.000 0.291 664 A C -1.616 175.988 177.584 0.033 0.000 1.075 664 A CA -0.536 51.493 52.037 -0.014 0.000 0.671 664 A CB 1.433 20.409 19.000 -0.039 0.000 1.277 664 A HN -0.117 nan 8.150 nan 0.000 0.417 665 V N 1.015 120.941 119.914 0.020 0.000 2.588 665 V HA 0.585 4.751 4.120 0.077 0.000 0.304 665 V C -0.667 175.429 176.094 0.002 0.000 1.042 665 V CA -0.229 62.092 62.300 0.034 0.000 0.877 665 V CB 1.558 33.418 31.823 0.061 0.000 0.996 665 V HN 0.700 nan 8.190 nan 0.000 0.425 666 I N 4.038 124.615 120.570 0.012 0.000 2.509 666 I HA 0.569 4.785 4.170 0.077 0.000 0.293 666 I C -0.893 175.239 176.117 0.026 0.000 1.020 666 I CA -0.951 60.383 61.300 0.057 0.000 1.088 666 I CB 2.351 40.419 38.000 0.112 0.000 1.267 666 I HN 0.293 nan 8.210 nan 0.000 0.430 667 V N 7.131 127.077 119.914 0.053 0.000 2.349 667 V HA 0.341 4.507 4.120 0.077 0.000 0.284 667 V C -2.227 173.912 176.094 0.075 0.000 1.014 667 V CA -1.628 60.685 62.300 0.023 0.000 0.826 667 V CB 1.134 32.931 31.823 -0.042 0.000 1.009 667 V HN 0.546 nan 8.190 nan 0.000 0.431 668 P HA 0.222 nan 4.420 nan 0.000 0.276 668 P C 0.203 177.511 177.300 0.013 0.000 1.244 668 P CA -0.247 62.856 63.100 0.004 0.000 0.801 668 P CB 1.185 32.883 31.700 -0.004 0.000 1.006 669 C N 0.844 120.130 119.300 -0.024 0.000 2.640 669 C HA 0.723 5.229 4.460 0.077 0.000 0.330 669 C C 1.278 176.271 174.990 0.005 0.000 1.416 669 C CA 1.568 60.584 59.018 -0.004 0.000 2.396 669 C CB -0.716 27.005 27.740 -0.031 0.000 2.330 669 C HN 0.918 nan 8.230 nan 0.000 0.704 670 G N 1.536 110.342 108.800 0.010 0.000 2.366 670 G HA2 0.030 4.037 3.960 0.077 0.000 0.190 670 G HA3 0.030 4.037 3.960 0.077 0.000 0.190 670 G C -1.015 173.898 174.900 0.021 0.000 1.299 670 G CA 0.017 45.123 45.100 0.010 0.000 1.056 670 G HN 0.900 nan 8.290 nan 0.000 0.468 671 N N 1.828 120.548 118.700 0.032 0.000 2.968 671 N HA 0.254 5.040 4.740 0.077 0.000 0.271 671 N C 1.689 177.238 175.510 0.064 0.000 1.174 671 N CA -0.461 52.613 53.050 0.039 0.000 1.096 671 N CB -0.203 38.308 38.487 0.040 0.000 1.403 671 N HN 0.386 nan 8.380 nan 0.000 0.522 672 I N 1.150 121.751 120.570 0.053 0.000 2.335 672 I HA -0.228 3.989 4.170 0.077 0.000 0.251 672 I C 2.045 178.182 176.117 0.034 0.000 1.129 672 I CA 0.778 62.118 61.300 0.066 0.000 1.402 672 I CB -1.483 36.532 38.000 0.025 0.000 1.069 672 I HN 0.501 nan 8.210 nan 0.000 0.424 673 A N 0.651 123.476 122.820 0.008 0.000 2.032 673 A HA -0.296 4.070 4.320 0.077 0.000 0.221 673 A C 2.084 179.691 177.584 0.039 0.000 1.165 673 A CA 2.163 54.200 52.037 -0.001 0.000 0.645 673 A CB -0.742 18.256 19.000 -0.003 0.000 0.807 673 A HN 0.431 nan 8.150 nan 0.000 0.453 674 D N 0.331 120.781 120.400 0.083 0.000 2.123 674 D HA -0.165 4.522 4.640 0.077 0.000 0.196 674 D C 1.605 177.993 176.300 0.148 0.000 0.992 674 D CA 1.905 55.982 54.000 0.129 0.000 0.833 674 D CB -0.204 40.711 40.800 0.192 0.000 0.954 674 D HN 0.658 nan 8.370 nan 0.000 0.455 675 I N -3.755 116.925 120.570 0.182 0.000 4.139 675 I HA 0.460 4.676 4.170 0.077 0.000 0.335 675 I C 1.954 178.200 176.117 0.214 0.000 1.327 675 I CA 0.021 61.448 61.300 0.213 0.000 1.112 675 I CB 0.082 38.251 38.000 0.281 0.000 1.058 675 I HN -0.094 nan 8.210 nan 0.000 0.396 676 A N 1.868 124.727 122.820 0.065 0.000 1.948 676 A HA -0.205 4.161 4.320 0.077 0.000 0.220 676 A C 1.592 179.124 177.584 -0.087 0.000 1.177 676 A CA 2.255 54.179 52.037 -0.189 0.000 0.636 676 A CB -0.557 18.290 19.000 -0.254 0.000 0.815 676 A HN 0.558 nan 8.150 nan 0.000 0.449 677 D N -0.654 119.740 120.400 -0.009 0.000 2.368 677 D HA 0.029 4.715 4.640 0.077 0.000 0.218 677 D C -0.006 176.318 176.300 0.039 0.000 1.112 677 D CA -0.192 53.811 54.000 0.004 0.000 0.834 677 D CB -0.265 40.532 40.800 -0.006 0.000 0.953 677 D HN 0.345 nan 8.370 nan 0.000 0.505 678 N N 1.306 120.047 118.700 0.069 0.000 2.405 678 N HA 0.022 4.809 4.740 0.077 0.000 0.260 678 N C 1.408 176.950 175.510 0.054 0.000 1.152 678 N CA 0.015 53.102 53.050 0.062 0.000 0.948 678 N CB 1.400 39.930 38.487 0.072 0.000 1.111 678 N HN 0.007 nan 8.380 nan 0.000 0.485 679 G N 3.733 112.564 108.800 0.053 0.000 2.553 679 G HA2 -0.311 3.696 3.960 0.077 0.000 0.218 679 G HA3 -0.311 3.696 3.960 0.077 0.000 0.218 679 G C 0.960 175.908 174.900 0.080 0.000 1.195 679 G CA 0.814 45.948 45.100 0.057 0.000 0.779 679 G HN 0.606 nan 8.290 nan 0.000 0.577 680 D N 0.848 121.300 120.400 0.088 0.000 2.117 680 D HA -0.015 4.671 4.640 0.077 0.000 0.197 680 D C 2.806 179.110 176.300 0.007 0.000 0.987 680 D CA 1.281 55.363 54.000 0.136 0.000 0.829 680 D CB -0.552 40.388 40.800 0.233 0.000 0.961 680 D HN 0.330 nan 8.370 nan 0.000 0.460 681 A N 0.975 123.626 122.820 -0.281 0.000 1.902 681 A HA -0.190 4.176 4.320 0.077 0.000 0.217 681 A C 2.033 179.429 177.584 -0.314 0.000 1.181 681 A CA 1.271 52.900 52.037 -0.681 0.000 0.623 681 A CB -0.457 18.046 19.000 -0.828 0.000 0.818 681 A HN 0.155 nan 8.150 nan 0.000 0.443 682 N N -1.425 117.242 118.700 -0.055 0.000 2.058 682 N HA -0.191 4.595 4.740 0.077 0.000 0.191 682 N C 1.750 177.270 175.510 0.016 0.000 1.037 682 N CA 1.865 54.947 53.050 0.053 0.000 0.848 682 N CB -0.516 38.056 38.487 0.142 0.000 1.021 682 N HN 0.660 nan 8.380 nan 0.000 0.422 683 Y N 0.714 120.994 120.300 -0.033 0.000 2.207 683 Y HA -0.291 4.305 4.550 0.077 0.000 0.287 683 Y C 2.407 178.274 175.900 -0.054 0.000 1.156 683 Y CA 1.319 59.394 58.100 -0.042 0.000 1.182 683 Y CB -0.393 38.046 38.460 -0.035 0.000 0.979 683 Y HN 0.063 nan 8.280 nan 0.000 0.521 684 Y N 0.371 120.558 120.300 -0.187 0.000 2.102 684 Y HA -0.360 4.236 4.550 0.077 0.000 0.280 684 Y C 2.111 177.826 175.900 -0.308 0.000 1.178 684 Y CA 2.295 60.253 58.100 -0.237 0.000 1.146 684 Y CB -0.536 37.784 38.460 -0.233 0.000 0.968 684 Y HN 0.132 nan 8.280 nan 0.000 0.504 685 L N -1.183 119.987 121.223 -0.089 0.000 2.109 685 L HA -0.242 4.145 4.340 0.077 0.000 0.207 685 L C 2.418 179.180 176.870 -0.181 0.000 1.086 685 L CA 1.245 56.010 54.840 -0.125 0.000 0.760 685 L CB -0.484 41.471 42.059 -0.174 0.000 0.910 685 L HN 0.290 nan 8.230 nan 0.000 0.437 686 M N -0.640 118.794 119.600 -0.277 0.000 2.159 686 M HA -0.218 4.308 4.480 0.077 0.000 0.263 686 M C 2.240 178.281 176.300 -0.432 0.000 1.063 686 M CA 1.664 56.785 55.300 -0.299 0.000 1.110 686 M CB -0.320 32.102 32.600 -0.296 0.000 1.374 686 M HN 0.224 nan 8.290 nan 0.000 0.411 687 E N 0.503 120.268 120.200 -0.725 0.000 2.072 687 E HA -0.154 4.242 4.350 0.077 0.000 0.190 687 E C 2.003 178.244 176.600 -0.599 0.000 0.982 687 E CA 1.156 57.096 56.400 -0.766 0.000 0.803 687 E CB 0.056 29.283 29.700 -0.789 0.000 0.755 687 E HN 0.462 nan 8.360 nan 0.000 0.453 688 A N 0.358 122.955 122.820 -0.371 0.000 1.902 688 A HA -0.208 4.159 4.320 0.077 0.000 0.217 688 A C 2.029 179.515 177.584 -0.164 0.000 1.181 688 A CA 1.444 53.356 52.037 -0.208 0.000 0.623 688 A CB -0.910 18.029 19.000 -0.101 0.000 0.818 688 A HN 0.538 nan 8.150 nan 0.000 0.443 689 Y N 0.569 120.716 120.300 -0.256 0.000 2.114 689 Y HA -0.222 4.375 4.550 0.077 0.000 0.284 689 Y C 2.422 178.194 175.900 -0.213 0.000 1.143 689 Y CA 2.402 60.379 58.100 -0.205 0.000 1.135 689 Y CB -0.257 38.100 38.460 -0.172 0.000 0.980 689 Y HN 0.324 nan 8.280 nan 0.000 0.499 690 K N -0.600 119.687 120.400 -0.189 0.000 2.103 690 K HA -0.230 4.137 4.320 0.077 0.000 0.207 690 K C 0.981 177.440 176.600 -0.234 0.000 1.048 690 K CA 2.080 58.215 56.287 -0.252 0.000 0.930 690 K CB -0.443 31.866 32.500 -0.319 0.000 0.716 690 K HN 0.588 nan 8.250 nan 0.000 0.444 691 H N 0.430 119.387 119.070 -0.189 0.000 2.555 691 H HA 0.191 4.794 4.556 0.078 0.000 0.283 691 H C -0.082 175.088 175.328 -0.264 0.000 1.037 691 H CA 0.134 56.064 56.048 -0.197 0.000 1.169 691 H CB 0.029 29.675 29.762 -0.194 0.000 1.375 691 H HN 0.119 nan 8.280 nan 0.000 0.582 692 L N -0.118 120.960 121.223 -0.243 0.000 4.089 692 L HA -0.288 4.098 4.340 0.077 0.000 0.408 692 L C -0.361 176.252 176.870 -0.428 0.000 1.184 692 L CA 0.655 55.260 54.840 -0.392 0.000 0.947 692 L CB -1.659 40.141 42.059 -0.431 0.000 2.066 692 L HN 0.337 nan 8.230 nan 0.000 0.851 693 K N 0.707 120.924 120.400 -0.305 0.000 2.143 693 K HA 0.488 4.854 4.320 0.077 0.000 0.272 693 K C -2.170 174.305 176.600 -0.207 0.000 1.001 693 K CA -1.827 54.304 56.287 -0.261 0.000 0.915 693 K CB 0.796 33.196 32.500 -0.167 0.000 1.047 693 K HN -0.215 nan 8.250 nan 0.000 0.458 694 P HA 0.040 nan 4.420 nan 0.000 0.265 694 P C -0.776 176.464 177.300 -0.100 0.000 1.193 694 P CA 0.340 63.346 63.100 -0.156 0.000 0.765 694 P CB 0.420 32.023 31.700 -0.161 0.000 0.823 695 I N 1.937 122.461 120.570 -0.077 0.000 2.465 695 I HA 0.597 4.813 4.170 0.077 0.000 0.291 695 I C -0.222 175.850 176.117 -0.075 0.000 1.014 695 I CA -0.822 60.449 61.300 -0.047 0.000 1.093 695 I CB 2.096 40.093 38.000 -0.005 0.000 1.267 695 I HN 0.263 nan 8.210 nan 0.000 0.431 696 A N 7.807 130.588 122.820 -0.066 0.000 2.319 696 A HA 0.850 5.216 4.320 0.077 0.000 0.310 696 A C -1.024 176.657 177.584 0.162 0.000 1.152 696 A CA -0.433 51.541 52.037 -0.105 0.000 0.783 696 A CB 0.841 19.620 19.000 -0.368 0.000 1.184 696 A HN 0.675 nan 8.150 nan 0.000 0.474 697 L N 2.508 123.876 121.223 0.241 0.000 2.343 697 L HA 0.689 5.075 4.340 0.077 0.000 0.278 697 L C 0.327 177.395 176.870 0.330 0.000 0.996 697 L CA -0.512 54.483 54.840 0.257 0.000 0.831 697 L CB 1.832 43.990 42.059 0.165 0.000 1.232 697 L HN 0.773 nan 8.230 nan 0.000 0.413 698 A N 2.400 125.330 122.820 0.184 0.000 2.312 698 A HA 0.840 5.207 4.320 0.077 0.000 0.326 698 A C 0.727 178.307 177.584 -0.006 0.000 1.172 698 A CA 0.345 52.365 52.037 -0.028 0.000 0.821 698 A CB 1.114 19.924 19.000 -0.315 0.000 1.166 698 A HN 0.965 nan 8.150 nan 0.000 0.493 699 G N 1.896 110.682 108.800 -0.023 0.000 2.634 699 G HA2 -0.350 3.657 3.960 0.077 0.000 0.309 699 G HA3 -0.350 3.657 3.960 0.077 0.000 0.309 699 G C 0.493 175.401 174.900 0.013 0.000 1.265 699 G CA 0.927 46.019 45.100 -0.013 0.000 0.998 699 G HN 0.716 nan 8.290 nan 0.000 0.551 700 D N 1.314 121.718 120.400 0.007 0.000 2.350 700 D HA 0.237 4.923 4.640 0.077 0.000 0.216 700 D C 2.568 178.883 176.300 0.025 0.000 0.968 700 D CA 1.570 55.571 54.000 0.002 0.000 0.894 700 D CB -0.626 40.168 40.800 -0.012 0.000 0.909 700 D HN 0.782 nan 8.370 nan 0.000 0.520 701 A N 0.588 123.463 122.820 0.091 0.000 2.019 701 A HA -0.184 4.182 4.320 0.077 0.000 0.219 701 A C 2.064 179.781 177.584 0.221 0.000 1.164 701 A CA 0.889 53.061 52.037 0.224 0.000 0.644 701 A CB -0.361 18.764 19.000 0.208 0.000 0.805 701 A HN 0.145 nan 8.150 nan 0.000 0.449 702 R N -0.379 120.189 120.500 0.114 0.000 2.193 702 R HA -0.080 4.306 4.340 0.077 0.000 0.229 702 R C 1.499 177.821 176.300 0.036 0.000 1.110 702 R CA 0.982 57.133 56.100 0.085 0.000 0.988 702 R CB -0.111 30.224 30.300 0.057 0.000 0.871 702 R HN 0.267 nan 8.270 nan 0.000 0.458 703 K N 0.094 120.473 120.400 -0.035 0.000 2.280 703 K HA -0.117 4.250 4.320 0.077 0.000 0.202 703 K C 1.496 177.983 176.600 -0.188 0.000 1.047 703 K CA 1.153 57.359 56.287 -0.134 0.000 0.942 703 K CB -0.205 32.165 32.500 -0.217 0.000 0.739 703 K HN 0.246 nan 8.250 nan 0.000 0.457 704 F N 1.291 121.217 119.950 -0.041 0.000 2.546 704 F HA -0.096 4.477 4.527 0.078 0.000 0.298 704 F C 2.048 177.801 175.800 -0.079 0.000 1.120 704 F CA 0.795 58.759 58.000 -0.059 0.000 1.456 704 F CB 0.007 38.971 39.000 -0.060 0.000 1.088 704 F HN -0.021 nan 8.300 nan 0.000 0.572 705 K N 0.095 120.539 120.400 0.074 0.000 2.209 705 K HA -0.159 4.208 4.320 0.077 0.000 0.204 705 K C 2.248 178.817 176.600 -0.050 0.000 1.048 705 K CA 0.911 57.194 56.287 -0.008 0.000 0.940 705 K CB -0.252 32.240 32.500 -0.013 0.000 0.729 705 K HN 0.254 nan 8.250 nan 0.000 0.451 706 A N 0.725 123.520 122.820 -0.041 0.000 1.969 706 A HA -0.138 4.229 4.320 0.077 0.000 0.218 706 A C 2.077 179.631 177.584 -0.050 0.000 1.169 706 A CA 1.900 53.906 52.037 -0.053 0.000 0.635 706 A CB -0.781 18.184 19.000 -0.058 0.000 0.810 706 A HN 0.311 nan 8.150 nan 0.000 0.445 707 T N 1.061 115.604 114.554 -0.019 0.000 2.746 707 T HA -0.107 4.290 4.350 0.077 0.000 0.267 707 T C 1.263 175.909 174.700 -0.090 0.000 1.039 707 T CA 1.336 63.429 62.100 -0.011 0.000 1.142 707 T CB -0.708 68.195 68.868 0.057 0.000 0.866 707 T HN 0.711 nan 8.240 nan 0.000 0.444 708 I N -1.008 119.460 120.570 -0.171 0.000 2.664 708 I HA 0.445 4.661 4.170 0.077 0.000 0.291 708 I C -0.303 175.618 176.117 -0.326 0.000 1.120 708 I CA -0.934 60.141 61.300 -0.375 0.000 1.503 708 I CB -0.393 37.183 38.000 -0.708 0.000 1.506 708 I HN -0.248 nan 8.210 nan 0.000 0.621 709 K N 2.561 122.857 120.400 -0.173 0.000 4.389 709 K HA -0.042 4.324 4.320 0.077 0.000 0.248 709 K C -0.870 175.664 176.600 -0.110 0.000 0.791 709 K CA 0.815 57.038 56.287 -0.107 0.000 0.861 709 K CB -1.089 31.373 32.500 -0.064 0.000 2.068 709 K HN 0.762 nan 8.250 nan 0.000 0.382 710 I N -0.260 120.237 120.570 -0.120 0.000 2.741 710 I HA 0.382 4.598 4.170 0.077 0.000 0.288 710 I C -1.208 174.879 176.117 -0.051 0.000 1.482 710 I CA 0.365 61.618 61.300 -0.079 0.000 1.050 710 I CB 1.408 39.342 38.000 -0.111 0.000 1.388 710 I HN 0.485 nan 8.210 nan 0.000 0.428 711 A N 4.708 127.519 122.820 -0.015 0.000 2.507 711 A HA -0.104 4.262 4.320 0.077 0.000 0.684 711 A C -0.047 177.530 177.584 -0.012 0.000 0.218 711 A CA 1.058 53.093 52.037 -0.004 0.000 0.164 711 A CB -0.667 18.339 19.000 0.009 0.000 3.954 711 A HN 0.868 nan 8.150 nan 0.000 0.547 712 D N 0.022 120.419 120.400 -0.005 0.000 2.753 712 D HA -0.022 4.665 4.640 0.077 0.000 0.291 712 D C 1.456 177.756 176.300 -0.000 0.000 1.075 712 D CA 0.574 54.571 54.000 -0.005 0.000 0.946 712 D CB -0.323 40.474 40.800 -0.005 0.000 1.376 712 D HN 0.540 nan 8.370 nan 0.000 0.482 713 Q N 1.255 121.057 119.800 0.003 0.000 1.941 713 Q HA 0.193 4.580 4.340 0.077 0.000 0.201 713 Q C 1.279 177.284 176.000 0.008 0.000 0.982 713 Q CA 1.256 57.062 55.803 0.005 0.000 0.839 713 Q CB -0.172 28.569 28.738 0.006 0.000 0.904 713 Q HN 0.341 nan 8.270 nan 0.000 0.427 714 G N -0.713 108.092 108.800 0.008 0.000 2.441 714 G HA2 0.440 4.447 3.960 0.077 0.000 0.294 714 G HA3 0.440 4.447 3.960 0.077 0.000 0.294 714 G C -1.883 173.024 174.900 0.011 0.000 1.393 714 G CA -0.504 44.602 45.100 0.009 0.000 0.796 714 G HN 0.053 nan 8.290 nan 0.000 0.494 715 E N -0.152 120.055 120.200 0.012 0.000 2.347 715 E HA 0.327 4.724 4.350 0.077 0.000 0.285 715 E C -0.967 175.635 176.600 0.003 0.000 0.925 715 E CA -0.535 55.877 56.400 0.018 0.000 0.779 715 E CB 1.810 31.539 29.700 0.048 0.000 1.233 715 E HN 0.462 nan 8.360 nan 0.000 0.414 716 E N 1.770 121.964 120.200 -0.011 0.000 2.498 716 E HA 0.243 4.639 4.350 0.077 0.000 0.252 716 E C 0.722 177.287 176.600 -0.059 0.000 1.025 716 E CA 1.550 57.928 56.400 -0.037 0.000 0.938 716 E CB 0.516 30.192 29.700 -0.039 0.000 0.947 716 E HN 0.820 nan 8.360 nan 0.000 0.478 717 G N 3.256 112.008 108.800 -0.079 0.000 2.255 717 G HA2 -0.175 3.831 3.960 0.077 0.000 0.196 717 G HA3 -0.175 3.831 3.960 0.077 0.000 0.196 717 G C -0.077 174.777 174.900 -0.077 0.000 0.998 717 G CA -0.654 44.379 45.100 -0.111 0.000 0.656 717 G HN 0.402 nan 8.290 nan 0.000 0.490 718 I N 2.417 122.963 120.570 -0.040 0.000 2.382 718 I HA 0.501 4.718 4.170 0.077 0.000 0.285 718 I C 0.392 176.469 176.117 -0.066 0.000 1.007 718 I CA -1.447 59.836 61.300 -0.028 0.000 1.142 718 I CB 1.183 39.196 38.000 0.021 0.000 1.289 718 I HN -0.087 nan 8.210 nan 0.000 0.453 719 V N 7.394 127.228 119.914 -0.133 0.000 2.432 719 V HA 0.395 4.561 4.120 0.077 0.000 0.275 719 V C 0.305 176.340 176.094 -0.098 0.000 1.043 719 V CA -0.514 61.659 62.300 -0.211 0.000 0.925 719 V CB 1.099 32.630 31.823 -0.487 0.000 0.985 719 V HN 0.834 nan 8.190 nan 0.000 0.466 720 E N 4.194 124.412 120.200 0.028 0.000 2.340 720 E HA 0.903 5.300 4.350 0.077 0.000 0.273 720 E C -0.898 175.845 176.600 0.240 0.000 0.891 720 E CA -1.027 55.476 56.400 0.173 0.000 0.757 720 E CB 2.752 32.513 29.700 0.101 0.000 1.231 720 E HN 0.781 nan 8.360 nan 0.000 0.439 721 A N 1.710 124.694 122.820 0.273 0.000 2.566 721 A HA 0.331 4.698 4.320 0.077 0.000 0.290 721 A C -0.597 177.021 177.584 0.056 0.000 1.071 721 A CA -0.628 51.513 52.037 0.173 0.000 0.658 721 A CB 1.182 20.335 19.000 0.256 0.000 1.285 721 A HN 0.600 nan 8.150 nan 0.000 0.427 722 D N 0.493 120.901 120.400 0.013 0.000 2.219 722 D HA 0.057 4.743 4.640 0.077 0.000 0.205 722 D C 1.028 177.282 176.300 -0.076 0.000 0.970 722 D CA 2.248 56.235 54.000 -0.021 0.000 0.851 722 D CB 0.085 40.876 40.800 -0.016 0.000 0.943 722 D HN 0.802 nan 8.370 nan 0.000 0.488 723 S N -1.598 114.020 115.700 -0.137 0.000 2.638 723 S HA 0.684 5.201 4.470 0.077 0.000 0.274 723 S C -0.950 173.345 174.600 -0.507 0.000 1.157 723 S CA -0.933 57.123 58.200 -0.241 0.000 0.826 723 S CB 2.026 65.135 63.200 -0.152 0.000 1.139 723 S HN 0.001 nan 8.310 nan 0.000 0.474 724 A N 1.792 124.226 122.820 -0.643 0.000 2.539 724 A HA 0.581 4.947 4.320 0.077 0.000 0.306 724 A C -0.089 177.281 177.584 -0.357 0.000 1.392 724 A CA -0.296 51.135 52.037 -1.011 0.000 1.060 724 A CB -1.327 17.239 19.000 -0.723 0.000 1.134 724 A HN 0.856 nan 8.150 nan 0.000 0.542 725 D N 1.159 121.469 120.400 -0.151 0.000 2.616 725 D HA 0.545 5.232 4.640 0.077 0.000 0.260 725 D C 1.319 177.676 176.300 0.095 0.000 1.158 725 D CA 0.029 54.026 54.000 -0.004 0.000 1.085 725 D CB 0.066 40.868 40.800 0.004 0.000 1.222 725 D HN 0.152 nan 8.370 nan 0.000 0.626 726 G N -0.647 108.191 108.800 0.063 0.000 2.459 726 G HA2 -0.318 3.689 3.960 0.077 0.000 0.217 726 G HA3 -0.318 3.689 3.960 0.077 0.000 0.217 726 G C 1.526 176.478 174.900 0.087 0.000 1.183 726 G CA 1.364 46.503 45.100 0.066 0.000 0.776 726 G HN 0.469 nan 8.290 nan 0.000 0.552 727 S N -0.276 115.477 115.700 0.089 0.000 2.368 727 S HA -0.133 4.384 4.470 0.077 0.000 0.225 727 S C 2.062 176.734 174.600 0.120 0.000 1.030 727 S CA 1.532 59.782 58.200 0.085 0.000 0.999 727 S CB -0.421 62.822 63.200 0.072 0.000 0.844 727 S HN 0.392 nan 8.310 nan 0.000 0.459 728 F N 1.880 121.827 119.950 -0.004 0.000 2.095 728 F HA -0.084 4.489 4.527 0.077 0.000 0.298 728 F C 2.091 177.887 175.800 -0.007 0.000 1.104 728 F CA 1.730 59.727 58.000 -0.005 0.000 1.232 728 F CB -0.337 38.661 39.000 -0.003 0.000 0.987 728 F HN 0.197 nan 8.300 nan 0.000 0.475 729 M N 0.297 120.049 119.600 0.253 0.000 2.175 729 M HA -0.163 4.364 4.480 0.077 0.000 0.264 729 M C 1.772 178.075 176.300 0.006 0.000 1.063 729 M CA 1.331 56.700 55.300 0.115 0.000 1.119 729 M CB -1.350 31.342 32.600 0.153 0.000 1.377 729 M HN 0.153 nan 8.290 nan 0.000 0.415 730 D N 0.383 120.792 120.400 0.016 0.000 2.144 730 D HA -0.135 4.551 4.640 0.077 0.000 0.200 730 D C 1.934 178.209 176.300 -0.042 0.000 0.978 730 D CA 1.048 55.044 54.000 -0.007 0.000 0.833 730 D CB -0.150 40.653 40.800 0.005 0.000 0.961 730 D HN 0.490 nan 8.370 nan 0.000 0.470 731 E N 0.378 120.537 120.200 -0.069 0.000 2.110 731 E HA -0.113 4.283 4.350 0.077 0.000 0.193 731 E C 2.106 178.622 176.600 -0.140 0.000 0.988 731 E CA 0.180 56.519 56.400 -0.103 0.000 0.804 731 E CB 0.021 29.644 29.700 -0.128 0.000 0.745 731 E HN 0.159 nan 8.360 nan 0.000 0.458 732 L N 0.930 122.039 121.223 -0.189 0.000 2.056 732 L HA -0.131 4.255 4.340 0.077 0.000 0.207 732 L C 2.094 178.898 176.870 -0.110 0.000 1.078 732 L CA 1.496 56.222 54.840 -0.190 0.000 0.749 732 L CB -0.416 41.497 42.059 -0.245 0.000 0.901 732 L HN 0.223 nan 8.230 nan 0.000 0.433 733 L N -0.585 120.594 121.223 -0.074 0.000 2.141 733 L HA -0.173 4.214 4.340 0.077 0.000 0.209 733 L C 2.437 179.283 176.870 -0.040 0.000 1.094 733 L CA 1.287 56.100 54.840 -0.045 0.000 0.763 733 L CB -0.621 41.422 42.059 -0.026 0.000 0.908 733 L HN 0.229 nan 8.230 nan 0.000 0.437 734 T N 0.034 114.561 114.554 -0.046 0.000 2.777 734 T HA -0.115 4.281 4.350 0.077 0.000 0.266 734 T C 1.949 176.618 174.700 -0.052 0.000 1.040 734 T CA 1.107 63.184 62.100 -0.038 0.000 1.141 734 T CB -0.149 68.696 68.868 -0.037 0.000 0.868 734 T HN 0.176 nan 8.240 nan 0.000 0.444 735 L N 0.359 121.532 121.223 -0.083 0.000 2.046 735 L HA -0.060 4.326 4.340 0.077 0.000 0.208 735 L C 2.693 179.495 176.870 -0.113 0.000 1.077 735 L CA 1.243 56.014 54.840 -0.115 0.000 0.747 735 L CB -0.515 41.456 42.059 -0.146 0.000 0.896 735 L HN 0.308 nan 8.230 nan 0.000 0.432 736 M N -0.752 118.799 119.600 -0.083 0.000 2.159 736 M HA -0.173 4.353 4.480 0.077 0.000 0.263 736 M C 2.449 178.748 176.300 -0.002 0.000 1.063 736 M CA 1.728 56.998 55.300 -0.051 0.000 1.110 736 M CB -0.527 32.055 32.600 -0.030 0.000 1.374 736 M HN 0.311 nan 8.290 nan 0.000 0.411 737 A N 0.250 123.070 122.820 0.000 0.000 2.070 737 A HA 0.062 4.429 4.320 0.077 0.000 0.220 737 A C 2.140 179.759 177.584 0.058 0.000 1.159 737 A CA 1.635 53.692 52.037 0.033 0.000 0.656 737 A CB -0.614 18.400 19.000 0.022 0.000 0.800 737 A HN 0.505 nan 8.150 nan 0.000 0.453 738 A N -2.500 120.331 122.820 0.018 0.000 2.251 738 A HA 0.346 4.712 4.320 0.077 0.000 0.209 738 A C 0.964 178.554 177.584 0.010 0.000 1.187 738 A CA 1.243 53.297 52.037 0.027 0.000 0.823 738 A CB -0.479 18.496 19.000 -0.042 0.000 0.846 738 A HN 0.975 nan 8.150 nan 0.000 0.486 739 H N -1.286 117.715 119.070 -0.116 0.000 4.955 739 H HA -0.198 4.404 4.556 0.078 0.000 0.059 739 H C 0.043 175.139 175.328 -0.386 0.000 0.580 739 H CA 2.408 58.365 56.048 -0.151 0.000 0.969 739 H CB -0.580 29.195 29.762 0.022 0.000 0.469 739 H HN 0.449 nan 8.280 nan 0.000 0.792 740 R N -0.301 119.575 120.500 -1.040 0.000 2.808 740 R HA 0.595 4.981 4.340 0.077 0.000 0.272 740 R C -0.658 174.797 176.300 -1.407 0.000 0.995 740 R CA -0.292 54.980 56.100 -1.380 0.000 0.917 740 R CB 1.835 30.995 30.300 -1.901 0.000 1.217 740 R HN 0.084 nan 8.270 nan 0.000 0.471 741 V N 2.648 121.981 119.914 -0.968 0.000 2.162 741 V HA 0.096 4.262 4.120 0.077 0.000 0.255 741 V C 0.804 176.552 176.094 -0.576 0.000 1.304 741 V CA -0.426 61.471 62.300 -0.672 0.000 1.198 741 V CB -0.502 31.063 31.823 -0.430 0.000 1.333 741 V HN 0.714 nan 8.190 nan 0.000 0.493 742 W N 1.550 122.575 121.300 -0.458 0.000 2.342 742 W HA -0.234 4.472 4.660 0.077 0.000 0.297 742 W C 2.617 178.935 176.519 -0.335 0.000 1.213 742 W CA 1.041 58.032 57.345 -0.589 0.000 1.251 742 W CB -0.544 28.212 29.460 -1.174 0.000 1.136 742 W HN 0.641 nan 8.180 nan 0.000 0.526 743 S N 0.859 116.531 115.700 -0.045 0.000 2.465 743 S HA -0.212 4.304 4.470 0.077 0.000 0.241 743 S C 1.751 176.320 174.600 -0.052 0.000 1.000 743 S CA 1.222 59.407 58.200 -0.025 0.000 0.964 743 S CB -0.450 62.733 63.200 -0.030 0.000 0.763 743 S HN 0.421 nan 8.310 nan 0.000 0.512 744 R N 0.382 120.809 120.500 -0.121 0.000 2.276 744 R HA 0.270 4.656 4.340 0.077 0.000 0.196 744 R C 1.859 178.090 176.300 -0.115 0.000 0.961 744 R CA 0.350 56.353 56.100 -0.162 0.000 1.024 744 R CB -0.323 29.767 30.300 -0.351 0.000 0.940 744 R HN 0.485 nan 8.270 nan 0.000 0.480 745 I N 2.332 122.874 120.570 -0.046 0.000 2.091 745 I HA -0.287 3.930 4.170 0.077 0.000 0.240 745 I C -0.750 175.391 176.117 0.040 0.000 1.046 745 I CA 1.726 63.044 61.300 0.030 0.000 1.306 745 I CB -0.998 37.071 38.000 0.115 0.000 1.018 745 I HN 0.186 nan 8.210 nan 0.000 0.404 746 P HA -0.193 nan 4.420 nan 0.000 0.217 746 P C 1.277 178.607 177.300 0.050 0.000 1.148 746 P CA 1.695 64.826 63.100 0.051 0.000 0.828 746 P CB -0.073 31.655 31.700 0.046 0.000 0.783 747 K N -0.136 120.289 120.400 0.042 0.000 2.217 747 K HA -0.047 4.320 4.320 0.077 0.000 0.202 747 K C 2.190 178.850 176.600 0.101 0.000 1.051 747 K CA 0.971 57.306 56.287 0.080 0.000 0.952 747 K CB -0.862 31.713 32.500 0.125 0.000 0.736 747 K HN 0.310 nan 8.250 nan 0.000 0.453 748 I N -1.183 119.418 120.570 0.052 0.000 2.315 748 I HA -0.166 4.051 4.170 0.077 0.000 0.248 748 I C 0.904 177.065 176.117 0.073 0.000 1.117 748 I CA 1.517 62.853 61.300 0.060 0.000 1.404 748 I CB -0.185 37.809 38.000 -0.010 0.000 1.071 748 I HN -0.059 nan 8.210 nan 0.000 0.419 749 D N 1.553 121.996 120.400 0.072 0.000 2.378 749 D HA -0.126 4.561 4.640 0.077 0.000 0.222 749 D C 1.869 178.209 176.300 0.067 0.000 0.980 749 D CA 0.660 54.703 54.000 0.073 0.000 0.907 749 D CB -0.114 40.734 40.800 0.080 0.000 0.899 749 D HN 0.515 nan 8.370 nan 0.000 0.527 750 K N 1.195 121.635 120.400 0.066 0.000 2.262 750 K HA -0.035 4.332 4.320 0.077 0.000 0.200 750 K C 0.720 177.352 176.600 0.054 0.000 1.049 750 K CA -0.108 56.212 56.287 0.055 0.000 0.979 750 K CB 0.225 32.754 32.500 0.049 0.000 0.773 750 K HN 0.109 nan 8.250 nan 0.000 0.474 751 I N 2.118 122.728 120.570 0.066 0.000 2.668 751 I HA 0.103 4.320 4.170 0.077 0.000 0.285 751 I C -2.383 173.765 176.117 0.053 0.000 1.168 751 I CA -2.179 59.155 61.300 0.056 0.000 1.424 751 I CB -0.196 37.848 38.000 0.073 0.000 1.377 751 I HN -0.080 nan 8.210 nan 0.000 0.560 752 P HA 0.505 nan 4.420 nan 0.000 0.247 752 P C -0.709 176.653 177.300 0.102 0.000 1.756 752 P CA 0.028 63.166 63.100 0.064 0.000 1.117 752 P CB 0.300 32.031 31.700 0.051 0.000 1.869 753 A N 0.000 122.884 122.820 0.107 0.000 2.254 753 A HA 0.000 4.366 4.320 0.077 0.000 0.244 753 A CA 0.000 52.154 52.037 0.196 0.000 0.836 753 A CB 0.000 19.011 19.000 0.019 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486