REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1p80_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRQIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.279 176.300 -0.035 0.000 2.045 27 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 28 S N -0.130 115.546 115.700 -0.041 0.000 2.952 28 S HA 0.353 4.823 4.470 -0.000 0.000 0.251 28 S C 1.118 175.681 174.600 -0.061 0.000 1.021 28 S CA -0.240 57.932 58.200 -0.046 0.000 1.067 28 S CB -0.204 62.976 63.200 -0.033 0.000 1.002 28 S HN 0.147 nan 8.310 nan 0.000 0.574 29 L N 1.002 122.182 121.223 -0.071 0.000 2.179 29 L HA 0.312 4.651 4.340 -0.000 0.000 0.208 29 L C 1.560 178.353 176.870 -0.129 0.000 1.096 29 L CA 0.580 55.372 54.840 -0.079 0.000 0.779 29 L CB -0.701 41.321 42.059 -0.062 0.000 0.922 29 L HN 0.402 nan 8.230 nan 0.000 0.443 30 A N 1.080 123.772 122.820 -0.213 0.000 2.386 30 A HA 0.367 4.687 4.320 -0.000 0.000 0.248 30 A C -2.056 175.384 177.584 -0.240 0.000 1.082 30 A CA -1.006 50.786 52.037 -0.408 0.000 0.789 30 A CB -0.560 17.934 19.000 -0.842 0.000 1.025 30 A HN -0.001 nan 8.150 nan 0.000 0.490 31 P HA 0.142 nan 4.420 nan 0.000 0.271 31 P C 0.093 177.378 177.300 -0.025 0.000 1.218 31 P CA -0.026 63.041 63.100 -0.055 0.000 0.780 31 P CB 0.862 32.568 31.700 0.011 0.000 0.901 32 E N 1.523 121.718 120.200 -0.008 0.000 2.204 32 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 32 E C 1.101 177.721 176.600 0.033 0.000 0.989 32 E CA 1.432 57.836 56.400 0.007 0.000 0.824 32 E CB -0.408 29.293 29.700 0.001 0.000 0.756 32 E HN 0.500 nan 8.360 nan 0.000 0.477 33 D N -1.462 118.963 120.400 0.042 0.000 2.363 33 D HA 0.027 4.666 4.640 -0.000 0.000 0.220 33 D C 1.238 177.586 176.300 0.080 0.000 0.994 33 D CA 0.812 54.841 54.000 0.049 0.000 0.890 33 D CB -0.335 40.487 40.800 0.037 0.000 0.906 33 D HN 0.188 nan 8.370 nan 0.000 0.530 34 G N 0.340 109.229 108.800 0.149 0.000 2.160 34 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 34 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 34 G C 0.913 175.900 174.900 0.145 0.000 1.008 34 G CA 0.780 46.017 45.100 0.229 0.000 0.724 34 G HN 0.686 nan 8.290 nan 0.000 0.514 35 S N 0.241 116.037 115.700 0.161 0.000 2.607 35 S HA 0.022 4.491 4.470 -0.000 0.000 0.224 35 S C 1.821 176.480 174.600 0.099 0.000 0.969 35 S CA 0.991 59.242 58.200 0.084 0.000 0.927 35 S CB -0.432 62.807 63.200 0.065 0.000 0.772 35 S HN 0.926 nan 8.310 nan 0.000 0.533 36 H N 0.937 120.013 119.070 0.011 0.000 2.512 36 H HA 0.298 4.854 4.556 -0.001 0.000 0.279 36 H C 0.757 176.096 175.328 0.019 0.000 0.999 36 H CA 0.098 56.154 56.048 0.012 0.000 1.283 36 H CB -0.246 29.523 29.762 0.011 0.000 1.421 36 H HN 0.352 nan 8.280 nan 0.000 0.554 37 R N 2.253 122.422 120.500 -0.551 0.000 2.295 37 R HA 0.356 4.696 4.340 -0.000 0.000 0.324 37 R C -2.648 173.557 176.300 -0.159 0.000 0.968 37 R CA -1.957 53.913 56.100 -0.384 0.000 0.837 37 R CB 0.997 30.985 30.300 -0.520 0.000 1.133 37 R HN 0.073 nan 8.270 nan 0.000 0.450 38 P HA 0.086 nan 4.420 nan 0.000 0.268 38 P C -1.042 176.247 177.300 -0.018 0.000 1.205 38 P CA -0.228 62.860 63.100 -0.020 0.000 0.771 38 P CB 1.031 32.745 31.700 0.023 0.000 0.858 39 A N 2.982 125.798 122.820 -0.007 0.000 2.511 39 A HA 0.386 4.706 4.320 -0.000 0.000 0.242 39 A C 0.841 178.433 177.584 0.013 0.000 1.069 39 A CA 0.099 52.135 52.037 -0.002 0.000 0.763 39 A CB -0.382 18.620 19.000 0.003 0.000 1.001 39 A HN 0.573 nan 8.150 nan 0.000 0.498 40 A N 3.459 126.286 122.820 0.012 0.000 3.091 40 A HA 0.518 4.838 4.320 -0.000 0.000 0.264 40 A C 0.285 177.883 177.584 0.024 0.000 1.673 40 A CA 0.123 52.174 52.037 0.022 0.000 1.362 40 A CB -0.835 18.175 19.000 0.017 0.000 1.137 40 A HN 0.929 nan 8.150 nan 0.000 0.617 41 E N -0.599 119.618 120.200 0.028 0.000 2.396 41 E HA 0.413 4.762 4.350 -0.000 0.000 0.280 41 E C -3.302 173.316 176.600 0.030 0.000 1.065 41 E CA -2.356 54.062 56.400 0.029 0.000 0.831 41 E CB 0.408 30.121 29.700 0.021 0.000 1.272 41 E HN 0.052 nan 8.360 nan 0.000 0.443 42 P HA 0.064 nan 4.420 nan 0.000 0.263 42 P C -0.767 176.538 177.300 0.008 0.000 1.195 42 P CA 0.430 63.540 63.100 0.016 0.000 0.762 42 P CB 0.384 32.082 31.700 -0.002 0.000 0.799 43 T N 1.124 115.681 114.554 0.003 0.000 2.916 43 T HA 0.623 4.972 4.350 -0.000 0.000 0.305 43 T C -3.009 171.666 174.700 -0.041 0.000 1.119 43 T CA -2.622 59.475 62.100 -0.005 0.000 1.008 43 T CB 1.805 70.675 68.868 0.003 0.000 1.129 43 T HN 0.052 nan 8.240 nan 0.000 0.480 44 P HA 0.344 nan 4.420 nan 0.000 0.272 44 P C -2.763 174.403 177.300 -0.222 0.000 1.230 44 P CA -1.566 61.398 63.100 -0.227 0.000 0.788 44 P CB -0.934 30.689 31.700 -0.129 0.000 0.949 45 P HA 0.023 nan 4.420 nan 0.000 0.261 45 P C 1.100 178.348 177.300 -0.087 0.000 1.183 45 P CA 1.490 64.485 63.100 -0.175 0.000 0.761 45 P CB -0.401 31.188 31.700 -0.185 0.000 0.785 46 G N 2.997 111.777 108.800 -0.034 0.000 2.179 46 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 46 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 46 G C 1.121 176.017 174.900 -0.007 0.000 0.977 46 G CA 0.392 45.485 45.100 -0.011 0.000 0.641 46 G HN 0.675 nan 8.290 nan 0.000 0.533 47 A N -1.182 121.630 122.820 -0.014 0.000 1.968 47 A HA 0.420 4.740 4.320 -0.000 0.000 0.217 47 A C 1.351 178.937 177.584 0.003 0.000 1.169 47 A CA 1.979 54.014 52.037 -0.005 0.000 0.638 47 A CB 0.014 19.010 19.000 -0.008 0.000 0.812 47 A HN 0.519 nan 8.150 nan 0.000 0.446 48 Q N -1.117 118.688 119.800 0.009 0.000 2.501 48 Q HA 0.433 4.773 4.340 -0.000 0.000 0.288 48 Q C -2.992 173.022 176.000 0.023 0.000 1.051 48 Q CA -2.048 53.764 55.803 0.015 0.000 0.788 48 Q CB 0.892 29.642 28.738 0.019 0.000 1.469 48 Q HN 0.061 nan 8.270 nan 0.000 0.416 49 P HA 0.057 nan 4.420 nan 0.000 0.269 49 P C -0.262 177.069 177.300 0.051 0.000 1.209 49 P CA 0.021 63.136 63.100 0.024 0.000 0.776 49 P CB 0.232 31.944 31.700 0.020 0.000 0.876 50 T N -0.573 114.013 114.554 0.053 0.000 2.813 50 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 50 T C 0.025 174.816 174.700 0.151 0.000 1.036 50 T CA -0.493 61.688 62.100 0.135 0.000 1.044 50 T CB 0.672 69.565 68.868 0.042 0.000 0.993 50 T HN 0.581 nan 8.240 nan 0.000 0.535 51 A N 1.630 124.636 122.820 0.310 0.000 2.593 51 A HA 0.790 5.110 4.320 -0.000 0.000 0.290 51 A C -3.044 174.802 177.584 0.436 0.000 1.126 51 A CA -2.082 50.115 52.037 0.267 0.000 0.695 51 A CB 0.562 19.668 19.000 0.177 0.000 1.290 51 A HN 0.654 nan 8.150 nan 0.000 0.414 52 P HA 0.131 nan 4.420 nan 0.000 0.264 52 P C 1.224 178.669 177.300 0.242 0.000 1.183 52 P CA 0.947 64.255 63.100 0.347 0.000 0.763 52 P CB 0.579 32.409 31.700 0.217 0.000 0.807 53 G N 2.565 111.471 108.800 0.177 0.000 2.513 53 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.219 53 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.219 53 G C 1.578 176.494 174.900 0.027 0.000 1.160 53 G CA 1.229 46.346 45.100 0.027 0.000 0.767 53 G HN 0.589 nan 8.290 nan 0.000 0.571 54 S N 0.091 115.812 115.700 0.033 0.000 2.447 54 S HA 0.124 4.594 4.470 -0.000 0.000 0.233 54 S C 2.258 176.877 174.600 0.031 0.000 1.006 54 S CA 0.906 59.113 58.200 0.012 0.000 0.957 54 S CB -0.190 63.010 63.200 0.001 0.000 0.773 54 S HN 0.325 nan 8.310 nan 0.000 0.507 55 L N 0.045 121.303 121.223 0.058 0.000 2.202 55 L HA 0.212 4.552 4.340 -0.000 0.000 0.205 55 L C 2.718 179.620 176.870 0.054 0.000 1.083 55 L CA 0.980 55.854 54.840 0.056 0.000 0.790 55 L CB -0.358 41.743 42.059 0.071 0.000 0.942 55 L HN 0.263 nan 8.230 nan 0.000 0.452 56 K N 1.339 121.781 120.400 0.071 0.000 2.103 56 K HA 0.018 4.337 4.320 -0.000 0.000 0.204 56 K C 0.723 177.351 176.600 0.047 0.000 1.052 56 K CA 1.302 57.630 56.287 0.068 0.000 0.945 56 K CB 0.111 32.668 32.500 0.096 0.000 0.722 56 K HN 0.152 nan 8.250 nan 0.000 0.443 57 A N 0.765 123.606 122.820 0.034 0.000 3.317 57 A HA 0.352 4.671 4.320 -0.000 0.000 0.307 57 A C -2.199 175.391 177.584 0.010 0.000 1.003 57 A CA -1.038 51.017 52.037 0.029 0.000 0.882 57 A CB 0.625 19.646 19.000 0.035 0.000 1.136 57 A HN 0.154 nan 8.150 nan 0.000 0.488 58 P HA -0.124 nan 4.420 nan 0.000 0.220 58 P C 0.211 177.506 177.300 -0.009 0.000 1.148 58 P CA 1.165 64.265 63.100 -0.000 0.000 0.803 58 P CB 0.313 32.017 31.700 0.006 0.000 0.782 59 D N -0.860 119.539 120.400 -0.001 0.000 2.349 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.215 59 D C 0.479 176.767 176.300 -0.019 0.000 1.016 59 D CA 0.608 54.604 54.000 -0.007 0.000 0.870 59 D CB -0.427 40.376 40.800 0.004 0.000 0.917 59 D HN 0.151 nan 8.370 nan 0.000 0.524 60 T N 2.595 117.135 114.554 -0.022 0.000 2.884 60 T HA 0.304 4.654 4.350 -0.000 0.000 0.298 60 T C 0.609 175.265 174.700 -0.073 0.000 0.998 60 T CA -0.290 61.782 62.100 -0.047 0.000 1.124 60 T CB 1.285 70.124 68.868 -0.049 0.000 0.931 60 T HN 0.137 nan 8.240 nan 0.000 0.531 61 R N 1.615 122.061 120.500 -0.090 0.000 2.734 61 R HA 0.574 4.914 4.340 -0.000 0.000 0.271 61 R C -1.667 174.568 176.300 -0.108 0.000 1.021 61 R CA -0.961 55.081 56.100 -0.098 0.000 0.893 61 R CB 1.097 31.348 30.300 -0.082 0.000 1.244 61 R HN 0.762 nan 8.270 nan 0.000 0.464 62 N N -1.642 116.999 118.700 -0.098 0.000 3.116 62 N HA 0.100 4.839 4.740 -0.000 0.000 0.244 62 N C 0.040 175.506 175.510 -0.073 0.000 1.485 62 N CA -0.531 52.474 53.050 -0.075 0.000 0.884 62 N CB 0.736 39.207 38.487 -0.026 0.000 1.415 62 N HN 0.716 nan 8.380 nan 0.000 0.524 63 E N -0.192 119.979 120.200 -0.048 0.000 2.085 63 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 63 E C 1.028 177.562 176.600 -0.111 0.000 0.994 63 E CA 1.508 57.875 56.400 -0.055 0.000 0.801 63 E CB 0.080 29.773 29.700 -0.012 0.000 0.743 63 E HN 0.495 nan 8.360 nan 0.000 0.453 64 K N 0.754 121.055 120.400 -0.165 0.000 2.025 64 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 64 K C 2.135 178.582 176.600 -0.255 0.000 1.049 64 K CA 1.181 57.280 56.287 -0.314 0.000 0.933 64 K CB -0.464 31.699 32.500 -0.561 0.000 0.714 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 0.943 122.029 121.223 -0.228 0.000 2.079 65 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 65 L C 1.824 178.587 176.870 -0.178 0.000 1.081 65 L CA 1.289 55.972 54.840 -0.262 0.000 0.752 65 L CB -0.607 41.288 42.059 -0.274 0.000 0.896 65 L HN 0.261 nan 8.230 nan 0.000 0.433 66 N N -0.389 118.230 118.700 -0.135 0.000 2.188 66 N HA -0.141 4.598 4.740 -0.000 0.000 0.184 66 N C 2.039 177.493 175.510 -0.093 0.000 1.018 66 N CA 1.601 54.592 53.050 -0.098 0.000 0.858 66 N CB -0.365 38.076 38.487 -0.076 0.000 0.989 66 N HN 0.368 nan 8.380 nan 0.000 0.426 67 S N 0.053 115.687 115.700 -0.110 0.000 2.515 67 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 67 S C 1.725 176.265 174.600 -0.100 0.000 0.987 67 S CA 0.257 58.399 58.200 -0.097 0.000 0.936 67 S CB -0.365 62.772 63.200 -0.105 0.000 0.766 67 S HN 0.219 nan 8.310 nan 0.000 0.528 68 L N 0.710 121.861 121.223 -0.120 0.000 2.554 68 L HA 0.228 4.568 4.340 -0.000 0.000 0.226 68 L C 2.572 179.397 176.870 -0.075 0.000 1.137 68 L CA 0.483 55.259 54.840 -0.106 0.000 0.863 68 L CB -0.314 41.666 42.059 -0.132 0.000 0.985 68 L HN 0.268 nan 8.230 nan 0.000 0.451 69 E N 1.175 121.333 120.200 -0.070 0.000 2.153 69 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 69 E C 1.591 178.171 176.600 -0.034 0.000 0.988 69 E CA 1.524 57.896 56.400 -0.048 0.000 0.811 69 E CB -0.020 29.654 29.700 -0.044 0.000 0.746 69 E HN 0.582 nan 8.360 nan 0.000 0.466 70 D N -0.705 119.674 120.400 -0.036 0.000 2.310 70 D HA -0.135 4.505 4.640 -0.000 0.000 0.212 70 D C 1.613 177.899 176.300 -0.024 0.000 0.965 70 D CA 1.319 55.303 54.000 -0.027 0.000 0.879 70 D CB -0.342 40.442 40.800 -0.027 0.000 0.921 70 D HN 0.287 nan 8.370 nan 0.000 0.510 71 V N -3.599 116.300 119.914 -0.026 0.000 3.578 71 V HA 0.324 4.444 4.120 -0.000 0.000 0.290 71 V C 0.742 176.828 176.094 -0.013 0.000 1.376 71 V CA -0.688 61.601 62.300 -0.018 0.000 1.083 71 V CB -0.603 31.208 31.823 -0.019 0.000 0.911 71 V HN -0.152 nan 8.190 nan 0.000 0.433 72 R N 2.107 122.599 120.500 -0.014 0.000 2.442 72 R HA 0.431 4.770 4.340 -0.000 0.000 0.291 72 R C -0.366 175.934 176.300 -0.001 0.000 1.069 72 R CA 0.134 56.233 56.100 -0.002 0.000 1.022 72 R CB 0.625 30.924 30.300 -0.002 0.000 0.976 72 R HN 0.424 nan 8.270 nan 0.000 0.443 73 K N 1.381 121.784 120.400 0.005 0.000 2.323 73 K HA 0.296 4.616 4.320 -0.000 0.000 0.259 73 K C 0.189 176.800 176.600 0.018 0.000 0.947 73 K CA -0.482 55.797 56.287 -0.014 0.000 0.819 73 K CB 2.295 34.776 32.500 -0.030 0.000 1.109 73 K HN 0.702 nan 8.250 nan 0.000 0.429 74 G N 0.202 109.023 108.800 0.035 0.000 2.509 74 G HA2 0.263 4.223 3.960 -0.000 0.000 0.269 74 G HA3 0.263 4.223 3.960 -0.000 0.000 0.269 74 G C 0.544 175.536 174.900 0.153 0.000 1.416 74 G CA 0.051 45.227 45.100 0.125 0.000 1.052 74 G HN 0.639 nan 8.290 nan 0.000 0.542 75 S N -2.722 113.147 115.700 0.281 0.000 2.501 75 S HA 0.116 4.586 4.470 -0.000 0.000 0.250 75 S C 0.214 174.981 174.600 0.279 0.000 0.959 75 S CA -0.135 58.236 58.200 0.284 0.000 1.250 75 S CB -0.024 63.260 63.200 0.139 0.000 0.933 75 S HN 0.509 nan 8.310 nan 0.000 0.420 76 E N 2.892 123.182 120.200 0.151 0.000 2.414 76 E HA 0.266 4.616 4.350 -0.000 0.000 0.263 76 E C -0.188 176.343 176.600 -0.116 0.000 1.000 76 E CA 0.191 56.611 56.400 0.034 0.000 0.914 76 E CB 0.081 29.791 29.700 0.016 0.000 0.948 76 E HN 0.377 nan 8.360 nan 0.000 0.444 77 N N 0.664 119.303 118.700 -0.102 0.000 2.909 77 N HA -0.210 4.530 4.740 -0.000 0.000 0.242 77 N C -1.138 174.235 175.510 -0.227 0.000 0.975 77 N CA 1.143 54.083 53.050 -0.183 0.000 0.921 77 N CB -1.240 37.092 38.487 -0.260 0.000 1.112 77 N HN 0.385 nan 8.380 nan 0.000 0.581 78 Y N 0.640 120.945 120.300 0.009 0.000 2.387 78 Y HA 0.636 5.186 4.550 -0.001 0.000 0.330 78 Y C 0.956 176.858 175.900 0.004 0.000 1.133 78 Y CA -0.529 57.575 58.100 0.007 0.000 1.152 78 Y CB 1.021 39.486 38.460 0.008 0.000 1.215 78 Y HN 0.111 nan 8.280 nan 0.000 0.466 79 A N 2.519 125.452 122.820 0.188 0.000 2.371 79 A HA 0.405 4.725 4.320 -0.000 0.000 0.257 79 A C -0.754 176.877 177.584 0.079 0.000 1.089 79 A CA -0.523 51.573 52.037 0.099 0.000 0.794 79 A CB 0.110 19.154 19.000 0.074 0.000 1.029 79 A HN 0.711 nan 8.150 nan 0.000 0.488 80 L N 2.744 123.994 121.223 0.045 0.000 2.360 80 L HA 0.508 4.848 4.340 -0.000 0.000 0.276 80 L C 0.649 177.526 176.870 0.011 0.000 1.121 80 L CA 1.100 55.953 54.840 0.021 0.000 0.845 80 L CB 0.333 42.397 42.059 0.007 0.000 1.143 80 L HN 0.922 nan 8.230 nan 0.000 0.452 81 T N 0.364 114.918 114.554 0.001 0.000 2.864 81 T HA 0.689 5.039 4.350 -0.000 0.000 0.289 81 T C 0.227 174.925 174.700 -0.004 0.000 1.082 81 T CA -0.169 61.933 62.100 0.004 0.000 1.009 81 T CB 1.047 69.920 68.868 0.008 0.000 1.234 81 T HN 0.753 nan 8.240 nan 0.000 0.526 82 T N -0.005 114.559 114.554 0.018 0.000 2.732 82 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 82 T C 0.988 175.699 174.700 0.019 0.000 0.993 82 T CA -0.595 61.522 62.100 0.028 0.000 0.966 82 T CB -0.057 68.866 68.868 0.092 0.000 1.047 82 T HN 0.551 nan 8.240 nan 0.000 0.527 83 N N 0.387 119.101 118.700 0.023 0.000 2.512 83 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 83 N C 1.467 176.994 175.510 0.028 0.000 1.073 83 N CA 0.447 53.505 53.050 0.013 0.000 0.911 83 N CB -0.121 38.380 38.487 0.025 0.000 0.964 83 N HN 0.527 nan 8.380 nan 0.000 0.447 84 Q N -0.626 119.203 119.800 0.048 0.000 2.319 84 Q HA 0.204 4.544 4.340 -0.000 0.000 0.202 84 Q C 0.813 176.835 176.000 0.036 0.000 0.896 84 Q CA 0.115 55.944 55.803 0.044 0.000 0.942 84 Q CB 0.476 29.249 28.738 0.058 0.000 1.083 84 Q HN 0.370 nan 8.270 nan 0.000 0.510 85 G N 0.552 109.371 108.800 0.031 0.000 2.132 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.234 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.234 85 G C 0.087 175.011 174.900 0.041 0.000 0.989 85 G CA 0.178 45.292 45.100 0.024 0.000 0.676 85 G HN 0.214 nan 8.290 nan 0.000 0.522 86 V N 1.450 121.404 119.914 0.067 0.000 2.461 86 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 86 V C 1.308 177.440 176.094 0.062 0.000 1.047 86 V CA -0.569 61.782 62.300 0.085 0.000 0.955 86 V CB 1.151 33.072 31.823 0.164 0.000 0.988 86 V HN 0.408 nan 8.190 nan 0.000 0.471 87 R N 4.203 124.733 120.500 0.050 0.000 2.537 87 R HA 0.371 4.711 4.340 -0.000 0.000 0.280 87 R C -0.504 175.808 176.300 0.020 0.000 1.058 87 R CA -0.069 56.050 56.100 0.033 0.000 1.057 87 R CB 0.513 30.833 30.300 0.033 0.000 0.973 87 R HN 0.577 nan 8.270 nan 0.000 0.438 88 I N 1.847 122.418 120.570 0.000 0.000 2.385 88 I HA 0.136 4.306 4.170 -0.000 0.000 0.294 88 I C 0.901 177.007 176.117 -0.018 0.000 0.988 88 I CA 0.053 61.337 61.300 -0.026 0.000 1.265 88 I CB 1.898 39.871 38.000 -0.044 0.000 1.388 88 I HN 0.769 nan 8.210 nan 0.000 0.480 89 A N 3.787 126.592 122.820 -0.024 0.000 1.942 89 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 89 A C 0.573 178.142 177.584 -0.025 0.000 1.214 89 A CA 0.698 52.724 52.037 -0.017 0.000 0.686 89 A CB 0.128 19.121 19.000 -0.011 0.000 0.871 89 A HN 0.669 nan 8.150 nan 0.000 0.460 90 D N -0.364 120.013 120.400 -0.038 0.000 2.469 90 D HA 0.341 4.981 4.640 -0.000 0.000 0.251 90 D C -1.319 174.950 176.300 -0.052 0.000 1.173 90 D CA -0.322 53.654 54.000 -0.040 0.000 0.882 90 D CB 1.299 42.076 40.800 -0.038 0.000 1.129 90 D HN 0.058 nan 8.370 nan 0.000 0.549 91 D N 2.032 122.404 120.400 -0.047 0.000 2.395 91 D HA 0.050 4.690 4.640 -0.000 0.000 0.226 91 D C 0.684 176.953 176.300 -0.053 0.000 1.146 91 D CA 0.286 54.254 54.000 -0.054 0.000 0.830 91 D CB 0.515 41.288 40.800 -0.045 0.000 0.958 91 D HN 0.232 nan 8.370 nan 0.000 0.501 92 Q N -0.685 119.087 119.800 -0.048 0.000 2.316 92 Q HA 0.256 4.595 4.340 -0.000 0.000 0.235 92 Q C -0.104 175.867 176.000 -0.048 0.000 0.863 92 Q CA 0.247 56.023 55.803 -0.046 0.000 0.939 92 Q CB 0.764 29.479 28.738 -0.037 0.000 1.108 92 Q HN 0.202 nan 8.270 nan 0.000 0.522 93 N N 0.120 118.790 118.700 -0.050 0.000 2.242 93 N HA 0.324 5.064 4.740 -0.000 0.000 0.292 93 N C -0.919 174.559 175.510 -0.053 0.000 1.125 93 N CA -0.254 52.768 53.050 -0.047 0.000 0.783 93 N CB 2.114 40.579 38.487 -0.038 0.000 1.558 93 N HN -0.173 nan 8.380 nan 0.000 0.472 94 S N 0.714 116.386 115.700 -0.047 0.000 2.603 94 S HA 0.262 4.731 4.470 -0.000 0.000 0.268 94 S C 0.145 174.722 174.600 -0.038 0.000 1.317 94 S CA -0.559 57.613 58.200 -0.046 0.000 1.012 94 S CB 0.667 63.846 63.200 -0.036 0.000 0.926 94 S HN 0.387 nan 8.310 nan 0.000 0.539 95 L N 3.520 124.722 121.223 -0.036 0.000 2.313 95 L HA 0.408 4.747 4.340 -0.000 0.000 0.282 95 L C 0.080 176.944 176.870 -0.010 0.000 1.092 95 L CA 0.412 55.239 54.840 -0.021 0.000 0.831 95 L CB -0.179 41.871 42.059 -0.015 0.000 1.159 95 L HN 0.708 nan 8.230 nan 0.000 0.442 96 R N 4.178 124.674 120.500 -0.007 0.000 2.836 96 R HA 0.869 5.209 4.340 -0.000 0.000 0.269 96 R C -1.138 175.162 176.300 0.001 0.000 1.010 96 R CA -0.869 55.229 56.100 -0.003 0.000 0.930 96 R CB 1.113 31.409 30.300 -0.007 0.000 1.218 96 R HN 0.564 nan 8.270 nan 0.000 0.473 97 A N 1.145 123.966 122.820 0.002 0.000 2.650 97 A HA 0.602 4.922 4.320 -0.000 0.000 0.320 97 A C 0.507 178.092 177.584 0.001 0.000 1.466 97 A CA 0.220 52.259 52.037 0.004 0.000 1.099 97 A CB -0.806 18.197 19.000 0.005 0.000 1.136 97 A HN 1.201 nan 8.150 nan 0.000 0.532 98 G N 1.043 109.843 108.800 0.000 0.000 2.692 98 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 98 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 98 G C 0.654 175.552 174.900 -0.004 0.000 1.243 98 G CA 0.111 45.210 45.100 -0.001 0.000 0.782 98 G HN 1.814 nan 8.290 nan 0.000 0.625 99 S N -0.107 115.590 115.700 -0.005 0.000 2.507 99 S HA 0.009 4.479 4.470 -0.000 0.000 0.235 99 S C 1.594 176.189 174.600 -0.008 0.000 0.988 99 S CA 1.414 59.609 58.200 -0.008 0.000 0.944 99 S CB 0.083 63.278 63.200 -0.008 0.000 0.762 99 S HN 0.731 nan 8.310 nan 0.000 0.526 100 R N 0.561 121.057 120.500 -0.006 0.000 2.543 100 R HA 0.313 4.653 4.340 -0.000 0.000 0.323 100 R C 0.971 177.268 176.300 -0.005 0.000 1.002 100 R CA 0.117 56.213 56.100 -0.006 0.000 1.106 100 R CB 0.780 31.077 30.300 -0.005 0.000 1.280 100 R HN 0.462 nan 8.270 nan 0.000 0.549 101 G N 1.707 110.505 108.800 -0.004 0.000 2.537 101 G HA2 0.340 4.300 3.960 -0.000 0.000 0.297 101 G HA3 0.340 4.300 3.960 -0.000 0.000 0.297 101 G C -2.371 172.527 174.900 -0.002 0.000 1.310 101 G CA -0.977 44.121 45.100 -0.002 0.000 1.027 101 G HN -0.099 nan 8.290 nan 0.000 0.505 102 P HA 0.214 nan 4.420 nan 0.000 0.275 102 P C -0.179 177.121 177.300 0.001 0.000 1.228 102 P CA -0.061 63.039 63.100 0.001 0.000 0.786 102 P CB 0.786 32.488 31.700 0.004 0.000 0.927 103 T N 2.756 117.310 114.554 0.000 0.000 2.907 103 T HA 0.270 4.619 4.350 -0.000 0.000 0.298 103 T C 0.511 175.215 174.700 0.008 0.000 1.017 103 T CA -0.154 61.946 62.100 0.000 0.000 1.118 103 T CB 0.027 68.894 68.868 -0.003 0.000 0.948 103 T HN 0.185 nan 8.240 nan 0.000 0.531 104 L N 3.388 124.617 121.223 0.011 0.000 2.357 104 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 104 L C 1.394 178.281 176.870 0.029 0.000 1.080 104 L CA -0.793 54.059 54.840 0.020 0.000 0.803 104 L CB 0.775 42.849 42.059 0.024 0.000 1.174 104 L HN 0.501 nan 8.230 nan 0.000 0.443 105 L N 2.080 123.324 121.223 0.034 0.000 2.201 105 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 105 L C 2.286 179.195 176.870 0.064 0.000 1.105 105 L CA 1.569 56.435 54.840 0.043 0.000 0.775 105 L CB -0.567 41.515 42.059 0.037 0.000 0.913 105 L HN 0.795 nan 8.230 nan 0.000 0.440 106 E N -1.519 118.723 120.200 0.071 0.000 2.516 106 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 106 E C 0.167 176.867 176.600 0.167 0.000 1.069 106 E CA 0.178 56.645 56.400 0.111 0.000 0.876 106 E CB -0.492 29.264 29.700 0.094 0.000 0.843 106 E HN 0.351 nan 8.360 nan 0.000 0.530 107 D N 1.195 121.654 120.400 0.099 0.000 2.455 107 D HA -0.044 4.596 4.640 -0.000 0.000 0.234 107 D C 0.431 176.761 176.300 0.050 0.000 1.224 107 D CA -0.489 53.534 54.000 0.038 0.000 0.999 107 D CB -0.095 40.693 40.800 -0.019 0.000 1.072 107 D HN 0.298 nan 8.370 nan 0.000 0.514 108 F N 2.273 122.231 119.950 0.014 0.000 2.456 108 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 108 F C 1.607 177.419 175.800 0.020 0.000 1.104 108 F CA 0.130 58.141 58.000 0.018 0.000 1.435 108 F CB -0.632 38.378 39.000 0.016 0.000 1.078 108 F HN 0.194 nan 8.300 nan 0.000 0.546 109 I N 0.393 120.552 120.570 -0.685 0.000 2.233 109 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 109 I C 2.480 178.487 176.117 -0.182 0.000 1.093 109 I CA 1.076 62.101 61.300 -0.459 0.000 1.380 109 I CB -0.524 37.151 38.000 -0.543 0.000 1.067 109 I HN 0.282 nan 8.210 nan 0.000 0.413 110 L N 1.145 122.279 121.223 -0.148 0.000 2.012 110 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 110 L C 2.638 179.499 176.870 -0.014 0.000 1.073 110 L CA 1.862 56.659 54.840 -0.071 0.000 0.748 110 L CB -0.568 41.457 42.059 -0.056 0.000 0.891 110 L HN 0.047 nan 8.230 nan 0.000 0.431 111 R N -0.623 119.886 120.500 0.015 0.000 2.092 111 R HA -0.167 4.172 4.340 -0.000 0.000 0.231 111 R C 2.309 178.663 176.300 0.089 0.000 1.119 111 R CA 1.493 57.631 56.100 0.063 0.000 0.970 111 R CB -0.340 30.010 30.300 0.084 0.000 0.864 111 R HN 0.590 nan 8.270 nan 0.000 0.440 112 E N 1.142 121.395 120.200 0.088 0.000 2.072 112 E HA -0.228 4.121 4.350 -0.000 0.000 0.191 112 E C 1.922 178.594 176.600 0.120 0.000 0.985 112 E CA 1.187 57.656 56.400 0.115 0.000 0.801 112 E CB 0.122 29.890 29.700 0.114 0.000 0.750 112 E HN 0.137 nan 8.360 nan 0.000 0.452 113 K N 0.291 120.732 120.400 0.068 0.000 2.026 113 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 113 K C 2.112 178.785 176.600 0.123 0.000 1.048 113 K CA 1.395 57.722 56.287 0.067 0.000 0.929 113 K CB -0.022 32.474 32.500 -0.005 0.000 0.713 113 K HN 0.157 nan 8.250 nan 0.000 0.439 114 I N 1.129 121.756 120.570 0.094 0.000 2.439 114 I HA -0.165 4.004 4.170 -0.000 0.000 0.251 114 I C 2.082 178.324 176.117 0.209 0.000 1.139 114 I CA 1.254 62.635 61.300 0.135 0.000 1.438 114 I CB -1.308 36.733 38.000 0.068 0.000 1.085 114 I HN 0.232 nan 8.210 nan 0.000 0.427 115 T N -0.327 114.338 114.554 0.186 0.000 2.746 115 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 115 T C 1.956 176.817 174.700 0.268 0.000 1.039 115 T CA 1.301 63.538 62.100 0.228 0.000 1.142 115 T CB -0.407 68.585 68.868 0.207 0.000 0.866 115 T HN 0.340 nan 8.240 nan 0.000 0.444 116 H N -0.068 119.105 119.070 0.172 0.000 2.353 116 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 116 H C 2.190 177.594 175.328 0.126 0.000 1.090 116 H CA 1.566 57.699 56.048 0.142 0.000 1.327 116 H CB -0.394 29.426 29.762 0.097 0.000 1.383 116 H HN 0.403 nan 8.280 nan 0.000 0.508 117 F N 2.084 122.106 119.950 0.121 0.000 2.102 117 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 117 F C 2.014 177.775 175.800 -0.064 0.000 1.105 117 F CA 1.729 59.748 58.000 0.032 0.000 1.239 117 F CB -0.375 38.636 39.000 0.018 0.000 0.991 117 F HN 0.050 nan 8.300 nan 0.000 0.474 118 D N -1.006 119.329 120.400 -0.108 0.000 2.221 118 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 118 D C 1.256 177.193 176.300 -0.604 0.000 0.982 118 D CA 1.326 55.098 54.000 -0.380 0.000 0.857 118 D CB -0.430 40.171 40.800 -0.331 0.000 0.934 118 D HN 0.500 nan 8.370 nan 0.000 0.475 119 H N -0.211 118.736 119.070 -0.206 0.000 2.469 119 H HA 0.219 4.775 4.556 -0.000 0.000 0.286 119 H C 0.973 176.137 175.328 -0.275 0.000 1.106 119 H CA -0.080 55.842 56.048 -0.211 0.000 1.055 119 H CB 0.490 30.142 29.762 -0.183 0.000 1.618 119 H HN 0.281 nan 8.280 nan 0.000 0.559 120 E N 0.594 120.634 120.200 -0.267 0.000 2.150 120 E HA -0.041 4.308 4.350 -0.000 0.000 0.193 120 E C 0.548 177.004 176.600 -0.239 0.000 0.985 120 E CA 0.500 56.721 56.400 -0.299 0.000 0.814 120 E CB 0.469 29.974 29.700 -0.326 0.000 0.752 120 E HN 0.175 nan 8.360 nan 0.000 0.466 121 R N 1.166 121.579 120.500 -0.146 0.000 2.490 121 R HA 0.363 4.703 4.340 -0.000 0.000 0.278 121 R C 0.472 176.809 176.300 0.061 0.000 1.069 121 R CA -0.197 55.890 56.100 -0.022 0.000 1.080 121 R CB 0.618 30.891 30.300 -0.044 0.000 1.030 121 R HN 0.160 nan 8.270 nan 0.000 0.491 122 I N -1.374 119.288 120.570 0.154 0.000 3.002 122 I HA 0.581 4.750 4.170 -0.000 0.000 0.310 122 I C -2.307 173.866 176.117 0.093 0.000 1.087 122 I CA -2.968 58.411 61.300 0.132 0.000 1.017 122 I CB 1.917 40.025 38.000 0.180 0.000 1.226 122 I HN 0.242 nan 8.210 nan 0.000 0.443 123 P HA 0.102 nan 4.420 nan 0.000 0.265 123 P C -0.893 176.434 177.300 0.044 0.000 1.193 123 P CA -0.038 63.086 63.100 0.040 0.000 0.765 123 P CB 0.416 32.130 31.700 0.023 0.000 0.823 124 E N 2.619 122.847 120.200 0.046 0.000 2.369 124 E HA 0.219 4.568 4.350 -0.000 0.000 0.255 124 E C -0.422 176.202 176.600 0.040 0.000 1.172 124 E CA -0.883 55.549 56.400 0.054 0.000 0.932 124 E CB 0.645 30.382 29.700 0.062 0.000 1.040 124 E HN 0.255 nan 8.360 nan 0.000 0.454 125 R N 0.562 121.092 120.500 0.050 0.000 2.640 125 R HA -0.011 4.329 4.340 -0.000 0.000 0.270 125 R C 1.108 177.439 176.300 0.052 0.000 1.024 125 R CA -0.080 56.048 56.100 0.046 0.000 1.085 125 R CB 0.201 30.549 30.300 0.080 0.000 0.963 125 R HN 0.632 nan 8.270 nan 0.000 0.426 126 I N 3.011 123.606 120.570 0.042 0.000 2.286 126 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 126 I C 0.378 176.541 176.117 0.078 0.000 1.115 126 I CA 1.375 62.706 61.300 0.052 0.000 1.392 126 I CB 0.398 38.429 38.000 0.052 0.000 1.065 126 I HN 0.406 nan 8.210 nan 0.000 0.418 127 V N -3.366 116.626 119.914 0.130 0.000 3.040 127 V HA 0.473 4.593 4.120 -0.000 0.000 0.312 127 V C 0.053 176.308 176.094 0.267 0.000 1.115 127 V CA -0.775 61.631 62.300 0.177 0.000 0.998 127 V CB 1.467 33.472 31.823 0.303 0.000 1.042 127 V HN 0.401 nan 8.190 nan 0.000 0.433 128 H N 0.558 119.690 119.070 0.104 0.000 2.862 128 H HA -0.218 4.338 4.556 -0.000 0.000 0.290 128 H C 1.530 176.904 175.328 0.077 0.000 1.211 128 H CA 0.813 56.916 56.048 0.093 0.000 1.140 128 H CB -1.222 28.587 29.762 0.079 0.000 1.341 128 H HN 1.187 nan 8.280 nan 0.000 0.392 129 A N 0.744 123.649 122.820 0.142 0.000 2.019 129 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 129 A C 1.702 179.371 177.584 0.141 0.000 1.164 129 A CA 1.294 53.404 52.037 0.122 0.000 0.644 129 A CB -0.074 18.976 19.000 0.083 0.000 0.805 129 A HN 0.262 nan 8.150 nan 0.000 0.449 130 R N 0.222 120.805 120.500 0.139 0.000 2.196 130 R HA 0.510 4.849 4.340 -0.000 0.000 0.340 130 R C -0.127 176.295 176.300 0.204 0.000 1.043 130 R CA 0.701 56.902 56.100 0.168 0.000 0.883 130 R CB 0.241 30.625 30.300 0.139 0.000 1.078 130 R HN 0.299 nan 8.270 nan 0.000 0.462 131 G N 0.859 109.803 108.800 0.240 0.000 2.704 131 G HA2 0.530 4.489 3.960 -0.000 0.000 0.293 131 G HA3 0.530 4.489 3.960 -0.000 0.000 0.293 131 G C -1.586 173.470 174.900 0.260 0.000 1.421 131 G CA -0.601 44.614 45.100 0.192 0.000 0.870 131 G HN 0.482 nan 8.290 nan 0.000 0.492 132 S N -0.945 114.857 115.700 0.170 0.000 2.557 132 S HA 0.868 5.338 4.470 -0.000 0.000 0.291 132 S C -0.112 174.499 174.600 0.019 0.000 1.116 132 S CA -0.208 58.142 58.200 0.251 0.000 0.992 132 S CB 1.700 65.161 63.200 0.434 0.000 1.028 132 S HN 1.464 nan 8.310 nan 0.000 0.484 133 A N 1.700 124.491 122.820 -0.049 0.000 2.479 133 A HA 1.044 5.364 4.320 -0.000 0.000 0.296 133 A C -0.843 176.549 177.584 -0.320 0.000 1.121 133 A CA -0.753 51.050 52.037 -0.390 0.000 0.743 133 A CB 1.591 20.197 19.000 -0.658 0.000 1.323 133 A HN 1.321 nan 8.150 nan 0.000 0.415 134 A N 0.149 122.615 122.820 -0.590 0.000 2.609 134 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 134 A C -1.126 176.232 177.584 -0.376 0.000 1.096 134 A CA -0.637 51.204 52.037 -0.327 0.000 0.684 134 A CB 0.773 19.684 19.000 -0.148 0.000 1.282 134 A HN 0.871 nan 8.150 nan 0.000 0.412 135 H N -0.421 118.649 119.070 -0.000 0.000 2.482 135 H HA 0.698 5.254 4.556 -0.001 0.000 0.344 135 H C 0.570 175.898 175.328 -0.001 0.000 1.151 135 H CA 0.800 56.917 56.048 0.116 0.000 1.300 135 H CB 1.876 31.715 29.762 0.128 0.000 1.494 135 H HN 1.151 nan 8.280 nan 0.000 0.542 136 G N 0.599 109.504 108.800 0.175 0.000 2.500 136 G HA2 0.357 4.317 3.960 -0.000 0.000 0.299 136 G HA3 0.357 4.317 3.960 -0.000 0.000 0.299 136 G C -2.062 172.980 174.900 0.237 0.000 1.242 136 G CA -0.642 44.525 45.100 0.113 0.000 0.859 136 G HN 0.626 nan 8.290 nan 0.000 0.481 137 Y N -1.777 118.558 120.300 0.058 0.000 2.597 137 Y HA 0.841 5.391 4.550 -0.001 0.000 0.340 137 Y C -1.806 174.230 175.900 0.227 0.000 1.097 137 Y CA -1.931 56.250 58.100 0.135 0.000 1.037 137 Y CB 1.923 40.433 38.460 0.084 0.000 1.305 137 Y HN 0.826 nan 8.280 nan 0.000 0.463 138 F N 2.119 122.196 119.950 0.213 0.000 2.563 138 F HA 0.696 5.222 4.527 -0.001 0.000 0.316 138 F C -1.272 174.706 175.800 0.297 0.000 1.076 138 F CA -0.597 57.532 58.000 0.215 0.000 0.921 138 F CB 2.397 41.657 39.000 0.434 0.000 1.209 138 F HN 0.796 nan 8.300 nan 0.000 0.462 139 Q N 6.710 125.936 119.800 -0.956 0.000 2.284 139 Q HA 0.474 4.814 4.340 -0.000 0.000 0.269 139 Q C -2.985 172.403 176.000 -1.020 0.000 1.026 139 Q CA -2.298 53.116 55.803 -0.648 0.000 0.831 139 Q CB 3.054 31.703 28.738 -0.149 0.000 1.322 139 Q HN 0.342 nan 8.270 nan 0.000 0.419 140 P HA 0.082 nan 4.420 nan 0.000 0.277 140 P C -0.510 176.643 177.300 -0.246 0.000 1.240 140 P CA 0.071 62.922 63.100 -0.415 0.000 0.798 140 P CB 0.549 32.175 31.700 -0.123 0.000 0.979 141 Y N 0.935 121.174 120.300 -0.103 0.000 2.337 141 Y HA -0.060 4.490 4.550 -0.001 0.000 0.293 141 Y C 1.484 177.356 175.900 -0.047 0.000 1.123 141 Y CA 0.557 58.618 58.100 -0.065 0.000 1.201 141 Y CB 0.208 38.639 38.460 -0.049 0.000 1.011 141 Y HN 0.360 nan 8.280 nan 0.000 0.545 142 K N -1.085 119.370 120.400 0.092 0.000 2.555 142 K HA 0.391 4.711 4.320 -0.000 0.000 0.279 142 K C -0.947 175.654 176.600 0.001 0.000 0.986 142 K CA -0.948 55.364 56.287 0.042 0.000 0.880 142 K CB 1.528 34.055 32.500 0.045 0.000 1.474 142 K HN -0.240 nan 8.250 nan 0.000 0.433 143 S N 0.911 116.610 115.700 -0.002 0.000 2.533 143 S HA 0.156 4.626 4.470 -0.000 0.000 0.282 143 S C 0.341 174.928 174.600 -0.022 0.000 1.304 143 S CA -0.607 57.582 58.200 -0.018 0.000 1.063 143 S CB -0.178 63.016 63.200 -0.009 0.000 0.881 143 S HN 0.552 nan 8.310 nan 0.000 0.493 144 L N 4.851 126.050 121.223 -0.041 0.000 2.928 144 L HA 0.150 4.490 4.340 -0.000 0.000 0.246 144 L C 1.963 178.817 176.870 -0.028 0.000 1.239 144 L CA -0.062 54.762 54.840 -0.027 0.000 1.035 144 L CB -0.152 41.893 42.059 -0.023 0.000 1.360 144 L HN 0.876 nan 8.230 nan 0.000 0.529 145 S N -1.914 113.768 115.700 -0.030 0.000 2.442 145 S HA -0.177 4.292 4.470 -0.000 0.000 0.236 145 S C 1.231 175.816 174.600 -0.026 0.000 1.007 145 S CA 1.074 59.256 58.200 -0.030 0.000 0.965 145 S CB -0.114 63.072 63.200 -0.023 0.000 0.773 145 S HN 0.392 nan 8.310 nan 0.000 0.504 146 D N 1.932 122.322 120.400 -0.018 0.000 2.269 146 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 146 D C 1.783 178.068 176.300 -0.024 0.000 0.963 146 D CA 1.318 55.308 54.000 -0.017 0.000 0.864 146 D CB -0.155 40.640 40.800 -0.009 0.000 0.936 146 D HN 0.810 nan 8.370 nan 0.000 0.505 147 I N -4.180 116.377 120.570 -0.022 0.000 4.312 147 I HA 0.226 4.396 4.170 -0.000 0.000 0.324 147 I C 0.498 176.580 176.117 -0.059 0.000 1.298 147 I CA -0.021 61.259 61.300 -0.034 0.000 1.231 147 I CB 1.107 39.107 38.000 -0.001 0.000 1.152 147 I HN -0.251 nan 8.210 nan 0.000 0.421 148 T N 1.526 116.047 114.554 -0.055 0.000 2.923 148 T HA 0.331 4.680 4.350 -0.000 0.000 0.311 148 T C -0.101 174.551 174.700 -0.080 0.000 1.183 148 T CA -0.697 61.352 62.100 -0.084 0.000 1.020 148 T CB 1.846 70.657 68.868 -0.094 0.000 1.165 148 T HN 0.419 nan 8.240 nan 0.000 0.482 149 K N 2.330 122.681 120.400 -0.081 0.000 2.417 149 K HA 0.575 4.895 4.320 -0.000 0.000 0.196 149 K C 0.728 177.295 176.600 -0.056 0.000 1.023 149 K CA -0.331 55.920 56.287 -0.061 0.000 1.122 149 K CB 0.244 32.713 32.500 -0.052 0.000 0.850 149 K HN 0.506 nan 8.250 nan 0.000 0.521 150 A N 2.128 124.896 122.820 -0.086 0.000 2.545 150 A HA -0.067 4.252 4.320 -0.000 0.000 0.253 150 A C 0.543 178.097 177.584 -0.050 0.000 1.074 150 A CA 0.134 52.133 52.037 -0.064 0.000 0.760 150 A CB 0.014 18.930 19.000 -0.141 0.000 1.005 150 A HN 0.460 nan 8.150 nan 0.000 0.506 151 D N 2.085 122.522 120.400 0.062 0.000 2.149 151 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 151 D C 1.359 177.730 176.300 0.120 0.000 0.990 151 D CA 2.276 56.326 54.000 0.084 0.000 0.839 151 D CB -0.225 40.646 40.800 0.119 0.000 0.948 151 D HN 0.747 nan 8.370 nan 0.000 0.460 152 F N -0.785 119.184 119.950 0.032 0.000 2.604 152 F HA 0.163 4.689 4.527 -0.000 0.000 0.298 152 F C 1.054 176.937 175.800 0.138 0.000 1.131 152 F CA 0.393 58.452 58.000 0.098 0.000 1.457 152 F CB -0.197 38.856 39.000 0.088 0.000 1.095 152 F HN -0.074 nan 8.300 nan 0.000 0.574 153 L N 0.844 121.755 121.223 -0.520 0.000 2.910 153 L HA 0.208 4.548 4.340 -0.000 0.000 0.252 153 L C 1.793 178.566 176.870 -0.163 0.000 1.195 153 L CA 0.301 54.902 54.840 -0.398 0.000 1.003 153 L CB -0.046 41.665 42.059 -0.580 0.000 1.328 153 L HN 0.313 nan 8.230 nan 0.000 0.540 154 S N -2.413 113.238 115.700 -0.083 0.000 2.524 154 S HA 0.058 4.528 4.470 -0.000 0.000 0.216 154 S C 0.335 174.928 174.600 -0.010 0.000 0.987 154 S CA -0.131 58.046 58.200 -0.038 0.000 0.909 154 S CB 0.135 63.327 63.200 -0.013 0.000 0.781 154 S HN 0.367 nan 8.310 nan 0.000 0.521 155 D N 0.511 120.913 120.400 0.003 0.000 2.931 155 D HA 0.318 4.957 4.640 -0.000 0.000 0.215 155 D C -2.584 173.727 176.300 0.018 0.000 1.297 155 D CA -1.763 52.247 54.000 0.016 0.000 0.892 155 D CB 2.024 42.841 40.800 0.028 0.000 1.642 155 D HN -0.178 nan 8.370 nan 0.000 0.560 156 P HA -0.073 nan 4.420 nan 0.000 0.221 156 P C 0.554 177.868 177.300 0.024 0.000 1.145 156 P CA 0.726 63.835 63.100 0.016 0.000 0.795 156 P CB 0.411 32.130 31.700 0.031 0.000 0.775 157 N N -0.393 118.326 118.700 0.031 0.000 2.412 157 N HA -0.017 4.723 4.740 -0.000 0.000 0.184 157 N C 0.694 176.235 175.510 0.051 0.000 1.101 157 N CA 0.360 53.432 53.050 0.036 0.000 0.881 157 N CB -0.090 38.415 38.487 0.031 0.000 0.969 157 N HN 0.260 nan 8.380 nan 0.000 0.459 158 K N 1.610 122.050 120.400 0.066 0.000 2.310 158 K HA 0.156 4.476 4.320 -0.000 0.000 0.290 158 K C -0.397 176.291 176.600 0.148 0.000 1.077 158 K CA -0.347 56.004 56.287 0.106 0.000 0.922 158 K CB 0.237 32.811 32.500 0.124 0.000 1.057 158 K HN 0.033 nan 8.250 nan 0.000 0.479 159 I N 1.501 122.163 120.570 0.154 0.000 2.377 159 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 159 I C -0.888 175.397 176.117 0.278 0.000 0.987 159 I CA 0.179 61.608 61.300 0.215 0.000 1.185 159 I CB 2.223 40.319 38.000 0.159 0.000 1.341 159 I HN 0.338 nan 8.210 nan 0.000 0.455 160 T N 8.014 122.819 114.554 0.417 0.000 2.786 160 T HA 0.519 4.869 4.350 -0.000 0.000 0.283 160 T C -2.598 172.360 174.700 0.429 0.000 0.992 160 T CA -1.087 61.276 62.100 0.439 0.000 0.954 160 T CB 1.338 70.568 68.868 0.603 0.000 0.934 160 T HN 0.473 nan 8.240 nan 0.000 0.440 161 P HA 0.278 nan 4.420 nan 0.000 0.269 161 P C -0.656 176.879 177.300 0.391 0.000 1.215 161 P CA -0.423 62.869 63.100 0.320 0.000 0.780 161 P CB 0.531 32.345 31.700 0.189 0.000 0.898 162 V N -0.599 119.495 119.914 0.300 0.000 3.130 162 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 162 V C -1.436 174.823 176.094 0.274 0.000 1.158 162 V CA -0.955 61.435 62.300 0.149 0.000 1.029 162 V CB 2.276 33.969 31.823 -0.217 0.000 1.057 162 V HN 0.329 nan 8.190 nan 0.000 0.436 163 F N 1.798 121.731 119.950 -0.028 0.000 2.536 163 F HA 0.845 5.372 4.527 -0.001 0.000 0.322 163 F C -0.900 174.807 175.800 -0.154 0.000 1.144 163 F CA -0.690 57.244 58.000 -0.110 0.000 0.924 163 F CB 1.962 40.918 39.000 -0.074 0.000 1.181 163 F HN 0.538 nan 8.300 nan 0.000 0.438 164 V N 6.502 125.962 119.914 -0.756 0.000 2.604 164 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 164 V C -0.719 174.733 176.094 -1.071 0.000 1.043 164 V CA -0.850 60.945 62.300 -0.842 0.000 0.888 164 V CB 2.046 33.308 31.823 -0.935 0.000 0.995 164 V HN 0.730 nan 8.190 nan 0.000 0.429 165 R N 3.325 123.184 120.500 -1.068 0.000 2.480 165 R HA 0.629 4.969 4.340 -0.000 0.000 0.306 165 R C -1.678 174.008 176.300 -1.023 0.000 0.958 165 R CA -0.419 55.146 56.100 -0.892 0.000 0.861 165 R CB 1.187 31.162 30.300 -0.542 0.000 1.171 165 R HN 0.548 nan 8.270 nan 0.000 0.445 166 F N 1.947 121.489 119.950 -0.679 0.000 2.432 166 F HA 0.556 5.083 4.527 -0.000 0.000 0.329 166 F C 0.550 176.014 175.800 -0.560 0.000 1.076 166 F CA -0.186 57.291 58.000 -0.871 0.000 1.018 166 F CB 2.122 40.067 39.000 -1.759 0.000 1.201 166 F HN 0.639 nan 8.300 nan 0.000 0.489 167 S N -0.977 114.664 115.700 -0.097 0.000 2.661 167 S HA 0.695 5.164 4.470 -0.000 0.000 0.268 167 S C -0.737 174.018 174.600 0.259 0.000 1.162 167 S CA -0.863 57.424 58.200 0.145 0.000 0.817 167 S CB 1.404 64.726 63.200 0.205 0.000 1.141 167 S HN 0.719 nan 8.310 nan 0.000 0.477 168 T N -1.793 112.891 114.554 0.216 0.000 2.910 168 T HA 0.723 5.073 4.350 -0.000 0.000 0.279 168 T C 0.789 175.436 174.700 -0.087 0.000 0.989 168 T CA -0.369 61.815 62.100 0.140 0.000 0.968 168 T CB 0.850 69.801 68.868 0.139 0.000 1.135 168 T HN 0.552 nan 8.240 nan 0.000 0.562 169 V N 0.207 120.026 119.914 -0.157 0.000 2.627 169 V HA 0.063 4.183 4.120 -0.000 0.000 0.239 169 V C 2.830 178.822 176.094 -0.171 0.000 1.077 169 V CA 0.979 63.049 62.300 -0.385 0.000 1.103 169 V CB -0.571 31.163 31.823 -0.149 0.000 0.802 169 V HN 0.962 nan 8.190 nan 0.000 0.482 170 Q N 0.592 120.337 119.800 -0.092 0.000 2.033 170 Q HA 0.078 4.417 4.340 -0.000 0.000 0.196 170 Q C 1.381 177.347 176.000 -0.057 0.000 0.970 170 Q CA 1.153 56.905 55.803 -0.085 0.000 0.828 170 Q CB -0.255 28.419 28.738 -0.107 0.000 0.895 170 Q HN 0.606 nan 8.270 nan 0.000 0.440 171 G N -0.042 108.739 108.800 -0.032 0.000 2.636 171 G HA2 0.358 4.318 3.960 -0.000 0.000 0.246 171 G HA3 0.358 4.318 3.960 -0.000 0.000 0.246 171 G C 0.124 175.023 174.900 -0.000 0.000 1.216 171 G CA -0.056 45.032 45.100 -0.021 0.000 0.854 171 G HN 0.393 nan 8.290 nan 0.000 0.572 172 G N -1.179 107.618 108.800 -0.005 0.000 2.653 172 G HA2 0.478 4.437 3.960 -0.000 0.000 0.265 172 G HA3 0.478 4.437 3.960 -0.000 0.000 0.265 172 G C 1.343 176.268 174.900 0.041 0.000 1.237 172 G CA 0.450 45.557 45.100 0.012 0.000 0.946 172 G HN 1.082 nan 8.290 nan 0.000 0.522 173 A N -0.754 122.102 122.820 0.059 0.000 2.019 173 A HA 0.114 4.433 4.320 -0.000 0.000 0.219 173 A C 2.227 179.847 177.584 0.060 0.000 1.164 173 A CA 2.018 54.109 52.037 0.091 0.000 0.644 173 A CB -0.408 18.662 19.000 0.117 0.000 0.805 173 A HN 1.123 nan 8.150 nan 0.000 0.449 174 G N -0.224 108.592 108.800 0.027 0.000 3.284 174 G HA2 0.332 4.292 3.960 -0.000 0.000 0.236 174 G HA3 0.332 4.292 3.960 -0.000 0.000 0.236 174 G C 0.702 175.599 174.900 -0.004 0.000 1.158 174 G CA 0.654 45.755 45.100 0.001 0.000 0.774 174 G HN 0.659 nan 8.290 nan 0.000 0.545 175 S N -0.172 115.533 115.700 0.009 0.000 2.641 175 S HA 0.727 5.197 4.470 -0.000 0.000 0.261 175 S C 0.473 175.080 174.600 0.012 0.000 1.257 175 S CA -0.070 58.131 58.200 0.001 0.000 0.983 175 S CB 1.554 64.755 63.200 0.002 0.000 0.990 175 S HN 0.555 nan 8.310 nan 0.000 0.572 176 A N 0.148 122.969 122.820 0.002 0.000 2.302 176 A HA 0.449 4.769 4.320 -0.000 0.000 0.285 176 A C 0.591 178.186 177.584 0.019 0.000 1.105 176 A CA -0.607 51.428 52.037 -0.003 0.000 0.816 176 A CB -0.020 18.960 19.000 -0.034 0.000 1.067 176 A HN 0.858 nan 8.150 nan 0.000 0.489 177 D N 0.448 120.848 120.400 0.000 0.000 2.120 177 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 177 D C 1.583 177.832 176.300 -0.084 0.000 0.972 177 D CA 2.259 56.262 54.000 0.005 0.000 0.837 177 D CB -0.249 40.519 40.800 -0.053 0.000 0.989 177 D HN 0.671 nan 8.370 nan 0.000 0.469 178 T N -0.072 114.361 114.554 -0.202 0.000 3.418 178 T HA 0.297 4.647 4.350 -0.000 0.000 0.239 178 T C 0.793 175.455 174.700 -0.063 0.000 0.905 178 T CA -0.577 61.397 62.100 -0.210 0.000 0.929 178 T CB -0.977 67.692 68.868 -0.331 0.000 1.121 178 T HN -0.081 nan 8.240 nan 0.000 0.608 179 V N -1.350 118.582 119.914 0.030 0.000 3.264 179 V HA 0.481 4.600 4.120 -0.000 0.000 0.304 179 V C 0.672 176.889 176.094 0.204 0.000 1.086 179 V CA -1.485 60.880 62.300 0.109 0.000 1.090 179 V CB 0.601 32.483 31.823 0.100 0.000 1.112 179 V HN 0.535 nan 8.190 nan 0.000 0.472 180 R N 2.035 122.715 120.500 0.300 0.000 2.205 180 R HA 0.448 4.787 4.340 -0.000 0.000 0.342 180 R C -0.732 175.663 176.300 0.158 0.000 1.058 180 R CA -0.227 56.035 56.100 0.269 0.000 0.904 180 R CB 0.241 30.688 30.300 0.245 0.000 1.089 180 R HN 0.917 nan 8.270 nan 0.000 0.471 181 Q N 3.503 123.406 119.800 0.171 0.000 2.575 181 Q HA 0.296 4.636 4.340 -0.000 0.000 0.290 181 Q C -0.550 175.574 176.000 0.207 0.000 0.963 181 Q CA -0.913 54.979 55.803 0.149 0.000 0.783 181 Q CB 1.686 30.496 28.738 0.121 0.000 1.467 181 Q HN 0.509 nan 8.270 nan 0.000 0.402 182 I N 1.563 122.275 120.570 0.237 0.000 2.754 182 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 182 I C 0.543 176.816 176.117 0.260 0.000 1.166 182 I CA 0.110 61.563 61.300 0.255 0.000 1.417 182 I CB -0.000 38.184 38.000 0.307 0.000 1.382 182 I HN 0.262 nan 8.210 nan 0.000 0.588 183 R N 3.150 123.822 120.500 0.288 0.000 2.589 183 R HA 0.559 4.899 4.340 -0.000 0.000 0.293 183 R C -0.035 176.469 176.300 0.341 0.000 0.963 183 R CA -0.717 55.570 56.100 0.313 0.000 0.905 183 R CB 1.598 32.099 30.300 0.336 0.000 1.144 183 R HN 0.807 nan 8.270 nan 0.000 0.459 184 G N 0.960 109.976 108.800 0.360 0.000 2.400 184 G HA2 0.478 4.438 3.960 -0.000 0.000 0.301 184 G HA3 0.478 4.438 3.960 -0.000 0.000 0.301 184 G C -1.289 173.682 174.900 0.118 0.000 1.154 184 G CA -0.085 45.175 45.100 0.268 0.000 0.852 184 G HN 0.359 nan 8.290 nan 0.000 0.511 185 F N 1.935 121.786 119.950 -0.164 0.000 2.949 185 F HA 0.640 5.167 4.527 -0.000 0.000 0.376 185 F C -0.193 175.316 175.800 -0.486 0.000 1.205 185 F CA -1.808 55.991 58.000 -0.334 0.000 1.155 185 F CB 1.060 39.979 39.000 -0.136 0.000 1.495 185 F HN 0.657 nan 8.300 nan 0.000 0.551 186 A N 3.421 125.969 122.820 -0.453 0.000 2.303 186 A HA 0.786 5.106 4.320 -0.000 0.000 0.320 186 A C -0.586 176.568 177.584 -0.718 0.000 1.192 186 A CA -0.435 51.189 52.037 -0.688 0.000 0.821 186 A CB 0.838 19.068 19.000 -1.283 0.000 1.188 186 A HN 0.533 nan 8.150 nan 0.000 0.492 187 T N 2.237 116.539 114.554 -0.421 0.000 2.812 187 T HA 0.419 4.769 4.350 -0.000 0.000 0.282 187 T C -0.366 174.160 174.700 -0.290 0.000 0.990 187 T CA -0.480 61.377 62.100 -0.405 0.000 0.960 187 T CB 1.140 69.714 68.868 -0.491 0.000 0.948 187 T HN 0.633 nan 8.240 nan 0.000 0.438 188 K N 3.344 123.632 120.400 -0.186 0.000 2.293 188 K HA 0.473 4.792 4.320 -0.000 0.000 0.267 188 K C -1.342 174.936 176.600 -0.536 0.000 1.010 188 K CA -0.611 55.481 56.287 -0.324 0.000 0.875 188 K CB 0.397 32.643 32.500 -0.424 0.000 1.106 188 K HN 0.393 nan 8.250 nan 0.000 0.450 189 F N 4.276 123.947 119.950 -0.465 0.000 2.385 189 F HA 0.252 4.779 4.527 -0.000 0.000 0.360 189 F C -0.454 175.159 175.800 -0.312 0.000 1.122 189 F CA -0.608 57.190 58.000 -0.337 0.000 1.090 189 F CB 0.726 39.450 39.000 -0.461 0.000 1.150 189 F HN 0.436 nan 8.300 nan 0.000 0.472 190 Y N 1.831 122.194 120.300 0.104 0.000 2.714 190 Y HA 0.227 4.777 4.550 -0.001 0.000 0.333 190 Y C 1.049 177.007 175.900 0.096 0.000 1.220 190 Y CA -0.868 57.272 58.100 0.067 0.000 1.513 190 Y CB -0.193 38.294 38.460 0.046 0.000 1.435 190 Y HN 0.558 nan 8.280 nan 0.000 0.489 191 T N -2.365 112.287 114.554 0.165 0.000 2.847 191 T HA 0.166 4.515 4.350 -0.000 0.000 0.279 191 T C 0.969 175.761 174.700 0.153 0.000 0.984 191 T CA -0.705 61.494 62.100 0.165 0.000 0.988 191 T CB 1.055 69.992 68.868 0.116 0.000 1.040 191 T HN 0.647 nan 8.240 nan 0.000 0.528 192 E N -0.032 120.261 120.200 0.155 0.000 2.482 192 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 192 E C 0.911 177.575 176.600 0.106 0.000 1.047 192 E CA 0.599 57.073 56.400 0.123 0.000 0.869 192 E CB 0.133 29.902 29.700 0.116 0.000 0.836 192 E HN 0.731 nan 8.360 nan 0.000 0.520 193 E N 0.272 120.537 120.200 0.107 0.000 2.734 193 E HA 0.269 4.618 4.350 -0.000 0.000 0.211 193 E C 0.086 176.731 176.600 0.074 0.000 0.991 193 E CA -0.269 56.187 56.400 0.092 0.000 1.065 193 E CB 1.342 31.099 29.700 0.096 0.000 1.047 193 E HN 0.179 nan 8.360 nan 0.000 0.470 194 G N 1.184 110.022 108.800 0.064 0.000 2.406 194 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.680 194 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.680 194 G C -0.968 173.936 174.900 0.008 0.000 1.338 194 G CA -1.118 43.996 45.100 0.023 0.000 0.941 194 G HN 0.021 nan 8.290 nan 0.000 0.633 195 I N 0.801 121.340 120.570 -0.052 0.000 2.496 195 I HA 0.409 4.578 4.170 -0.000 0.000 0.285 195 I C 0.052 176.172 176.117 0.005 0.000 1.080 195 I CA -0.168 61.078 61.300 -0.090 0.000 1.404 195 I CB 0.837 38.709 38.000 -0.213 0.000 1.403 195 I HN 0.464 nan 8.210 nan 0.000 0.539 196 F N 6.686 126.529 119.950 -0.180 0.000 2.427 196 F HA 0.450 4.977 4.527 -0.000 0.000 0.348 196 F C -0.524 175.239 175.800 -0.062 0.000 1.125 196 F CA -1.237 56.652 58.000 -0.184 0.000 0.989 196 F CB 0.724 39.450 39.000 -0.456 0.000 1.165 196 F HN 0.344 nan 8.300 nan 0.000 0.442 197 D N 6.868 127.082 120.400 -0.310 0.000 2.280 197 D HA 0.250 4.890 4.640 -0.000 0.000 0.236 197 D C -0.642 175.218 176.300 -0.734 0.000 1.082 197 D CA 0.038 53.806 54.000 -0.387 0.000 0.834 197 D CB 2.255 43.017 40.800 -0.063 0.000 1.100 197 D HN 0.635 nan 8.370 nan 0.000 0.486 198 L N 3.320 124.089 121.223 -0.757 0.000 2.283 198 L HA 0.284 4.624 4.340 -0.000 0.000 0.281 198 L C -0.968 175.709 176.870 -0.321 0.000 1.033 198 L CA -0.637 53.831 54.840 -0.619 0.000 0.848 198 L CB 0.713 42.413 42.059 -0.598 0.000 1.226 198 L HN 0.053 nan 8.230 nan 0.000 0.429 199 V N 5.344 125.106 119.914 -0.253 0.000 2.247 199 V HA 0.492 4.612 4.120 -0.000 0.000 0.262 199 V C 0.805 176.815 176.094 -0.141 0.000 1.096 199 V CA -0.298 61.862 62.300 -0.234 0.000 0.895 199 V CB 0.475 32.134 31.823 -0.274 0.000 1.141 199 V HN 0.814 nan 8.190 nan 0.000 0.478 200 G N 3.145 111.874 108.800 -0.117 0.000 2.932 200 G HA2 0.656 4.616 3.960 -0.000 0.000 0.283 200 G HA3 0.656 4.616 3.960 -0.000 0.000 0.283 200 G C -0.864 174.057 174.900 0.034 0.000 1.336 200 G CA -0.611 44.467 45.100 -0.037 0.000 1.056 200 G HN 0.471 nan 8.290 nan 0.000 0.522 201 N N -0.949 117.816 118.700 0.108 0.000 2.701 201 N HA 0.246 4.986 4.740 -0.000 0.000 0.290 201 N C 0.354 176.036 175.510 0.286 0.000 1.338 201 N CA -0.746 52.428 53.050 0.207 0.000 0.799 201 N CB 1.369 39.978 38.487 0.203 0.000 1.491 201 N HN 0.534 nan 8.380 nan 0.000 0.540 202 N N -1.323 117.567 118.700 0.316 0.000 2.314 202 N HA -0.007 4.733 4.740 -0.000 0.000 0.200 202 N C -0.549 175.210 175.510 0.414 0.000 1.135 202 N CA -0.070 53.215 53.050 0.391 0.000 0.835 202 N CB -0.132 38.571 38.487 0.361 0.000 0.989 202 N HN 0.542 nan 8.380 nan 0.000 0.478 203 T N -3.502 111.130 114.554 0.130 0.000 2.900 203 T HA 0.448 4.797 4.350 -0.000 0.000 0.295 203 T C -2.569 171.566 174.700 -0.943 0.000 1.044 203 T CA -1.629 60.138 62.100 -0.556 0.000 0.995 203 T CB 2.952 71.388 68.868 -0.719 0.000 1.072 203 T HN -0.255 nan 8.240 nan 0.000 0.473 204 P HA 0.173 nan 4.420 nan 0.000 0.245 204 P C 0.485 177.274 177.300 -0.852 0.000 1.212 204 P CA 0.153 62.364 63.100 -1.482 0.000 0.774 204 P CB -0.072 30.717 31.700 -1.519 0.000 0.999 205 I N -4.683 115.365 120.570 -0.870 0.000 3.239 205 I HA 0.543 4.712 4.170 -0.000 0.000 0.314 205 I C -1.183 174.660 176.117 -0.456 0.000 1.126 205 I CA -1.903 59.031 61.300 -0.609 0.000 0.973 205 I CB 1.444 39.035 38.000 -0.683 0.000 1.252 205 I HN -0.245 nan 8.210 nan 0.000 0.463 206 F N 0.433 120.102 119.950 -0.468 0.000 2.572 206 F HA 0.498 5.025 4.527 -0.001 0.000 0.342 206 F C 0.446 176.004 175.800 -0.404 0.000 1.064 206 F CA -0.733 57.031 58.000 -0.394 0.000 1.008 206 F CB 1.864 40.753 39.000 -0.185 0.000 1.303 206 F HN 0.391 nan 8.300 nan 0.000 0.492 207 F N 1.863 121.094 119.950 -1.198 0.000 2.259 207 F HA 0.041 4.568 4.527 -0.001 0.000 0.298 207 F C 0.647 176.165 175.800 -0.470 0.000 1.088 207 F CA 0.819 58.281 58.000 -0.896 0.000 1.358 207 F CB -0.083 37.969 39.000 -1.580 0.000 1.040 207 F HN 0.129 nan 8.300 nan 0.000 0.505 208 I N -3.313 117.228 120.570 -0.048 0.000 3.002 208 I HA 0.373 4.543 4.170 -0.000 0.000 0.310 208 I C 0.398 176.650 176.117 0.226 0.000 1.087 208 I CA -0.833 60.545 61.300 0.131 0.000 1.017 208 I CB 1.795 39.919 38.000 0.206 0.000 1.226 208 I HN -0.153 nan 8.210 nan 0.000 0.443 209 Q N 0.264 120.199 119.800 0.226 0.000 2.259 209 Q HA 0.139 4.479 4.340 -0.000 0.000 0.201 209 Q C -0.294 175.870 176.000 0.273 0.000 0.938 209 Q CA 0.631 56.607 55.803 0.288 0.000 0.872 209 Q CB 0.464 29.441 28.738 0.398 0.000 0.971 209 Q HN 0.658 nan 8.270 nan 0.000 0.494 210 D N -1.099 119.434 120.400 0.221 0.000 2.498 210 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 210 D C -0.003 176.414 176.300 0.196 0.000 1.070 210 D CA -0.243 53.858 54.000 0.169 0.000 0.842 210 D CB 1.842 42.716 40.800 0.123 0.000 1.361 210 D HN 0.041 nan 8.370 nan 0.000 0.484 211 A N 3.280 126.187 122.820 0.144 0.000 2.076 211 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 211 A C 1.769 179.465 177.584 0.187 0.000 1.160 211 A CA 1.659 53.779 52.037 0.137 0.000 0.653 211 A CB -0.772 18.254 19.000 0.043 0.000 0.801 211 A HN 0.812 nan 8.150 nan 0.000 0.455 212 H N -0.027 119.098 119.070 0.092 0.000 2.457 212 H HA -0.007 4.549 4.556 -0.000 0.000 0.297 212 H C 1.557 176.958 175.328 0.123 0.000 1.092 212 H CA 1.786 57.882 56.048 0.081 0.000 1.309 212 H CB 0.105 29.892 29.762 0.042 0.000 1.382 212 H HN 0.367 nan 8.280 nan 0.000 0.535 213 K N -0.546 119.988 120.400 0.224 0.000 2.404 213 K HA -0.042 4.278 4.320 -0.000 0.000 0.194 213 K C 1.343 178.079 176.600 0.227 0.000 1.023 213 K CA -0.026 56.392 56.287 0.218 0.000 1.094 213 K CB 0.061 32.739 32.500 0.297 0.000 0.841 213 K HN 0.302 nan 8.250 nan 0.000 0.523 214 F N 2.966 122.967 119.950 0.086 0.000 2.095 214 F HA -0.143 4.383 4.527 -0.000 0.000 0.298 214 F C -0.992 174.825 175.800 0.028 0.000 1.104 214 F CA 1.396 59.469 58.000 0.122 0.000 1.232 214 F CB -0.514 38.552 39.000 0.109 0.000 0.987 214 F HN 0.023 nan 8.300 nan 0.000 0.475 215 P HA -0.157 nan 4.420 nan 0.000 0.216 215 P C 1.044 178.038 177.300 -0.510 0.000 1.150 215 P CA 1.867 64.744 63.100 -0.372 0.000 0.837 215 P CB -0.069 31.427 31.700 -0.340 0.000 0.786 216 D N -1.337 118.902 120.400 -0.269 0.000 2.084 216 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 216 D C 1.836 177.868 176.300 -0.447 0.000 0.985 216 D CA 1.042 54.923 54.000 -0.197 0.000 0.826 216 D CB -0.885 39.967 40.800 0.087 0.000 0.978 216 D HN 0.150 nan 8.370 nan 0.000 0.456 217 F N 1.857 121.394 119.950 -0.688 0.000 2.095 217 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 217 F C 2.252 177.669 175.800 -0.638 0.000 1.104 217 F CA 1.188 58.586 58.000 -1.003 0.000 1.232 217 F CB -0.170 38.471 39.000 -0.597 0.000 0.987 217 F HN -0.244 nan 8.300 nan 0.000 0.475 218 V N 0.267 119.790 119.914 -0.652 0.000 2.358 218 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 218 V C 2.288 178.187 176.094 -0.325 0.000 1.047 218 V CA 2.381 64.335 62.300 -0.577 0.000 1.035 218 V CB -1.068 30.424 31.823 -0.551 0.000 0.658 218 V HN 0.471 nan 8.190 nan 0.000 0.452 219 H N -0.125 118.729 119.070 -0.359 0.000 2.352 219 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 219 H C 2.339 177.529 175.328 -0.231 0.000 1.097 219 H CA 1.158 57.071 56.048 -0.226 0.000 1.311 219 H CB 0.031 29.707 29.762 -0.144 0.000 1.377 219 H HN 0.487 nan 8.280 nan 0.000 0.504 220 A N 0.414 123.087 122.820 -0.244 0.000 1.930 220 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 220 A C 2.519 179.973 177.584 -0.217 0.000 1.175 220 A CA 1.358 53.247 52.037 -0.247 0.000 0.627 220 A CB -0.683 18.054 19.000 -0.439 0.000 0.815 220 A HN 0.301 nan 8.150 nan 0.000 0.443 221 V N -0.155 119.502 119.914 -0.427 0.000 2.649 221 V HA -0.012 4.108 4.120 -0.000 0.000 0.248 221 V C 0.988 177.045 176.094 -0.063 0.000 1.054 221 V CA 0.862 62.974 62.300 -0.313 0.000 1.073 221 V CB -0.452 30.985 31.823 -0.644 0.000 0.699 221 V HN 0.362 nan 8.190 nan 0.000 0.463 222 K N 0.974 121.302 120.400 -0.119 0.000 2.156 222 K HA 0.205 4.525 4.320 -0.000 0.000 0.242 222 K C -2.273 174.265 176.600 -0.103 0.000 1.033 222 K CA -1.517 54.709 56.287 -0.102 0.000 0.878 222 K CB -0.475 31.956 32.500 -0.115 0.000 1.057 222 K HN 0.164 nan 8.250 nan 0.000 0.505 223 P HA -0.030 nan 4.420 nan 0.000 0.264 223 P C -0.573 176.649 177.300 -0.130 0.000 1.183 223 P CA 0.470 63.423 63.100 -0.245 0.000 0.763 223 P CB 0.295 31.865 31.700 -0.216 0.000 0.807 224 E N 5.581 125.743 120.200 -0.062 0.000 2.415 224 E HA -0.026 4.324 4.350 -0.000 0.000 0.262 224 E C -1.210 175.436 176.600 0.077 0.000 1.038 224 E CA -1.226 55.244 56.400 0.116 0.000 0.921 224 E CB 0.101 29.992 29.700 0.319 0.000 0.950 224 E HN 0.431 nan 8.360 nan 0.000 0.438 225 P HA -0.206 nan 4.420 nan 0.000 0.221 225 P C 0.988 178.350 177.300 0.103 0.000 1.150 225 P CA 1.407 64.539 63.100 0.055 0.000 0.800 225 P CB 0.041 31.755 31.700 0.023 0.000 0.787 226 H N -0.803 118.310 119.070 0.071 0.000 2.333 226 H HA -0.070 4.486 4.556 -0.000 0.000 0.302 226 H C 1.571 177.004 175.328 0.173 0.000 1.075 226 H CA 1.411 57.489 56.048 0.051 0.000 1.348 226 H CB -1.350 28.373 29.762 -0.065 0.000 1.393 226 H HN 0.299 nan 8.280 nan 0.000 0.509 227 W N 0.259 121.205 121.300 -0.590 0.000 3.008 227 W HA 0.688 5.348 4.660 -0.000 0.000 0.355 227 W C 0.418 176.773 176.519 -0.274 0.000 1.095 227 W CA -1.047 56.081 57.345 -0.361 0.000 1.738 227 W CB -0.735 28.492 29.460 -0.387 0.000 1.091 227 W HN 0.441 nan 8.180 nan 0.000 0.574 228 A N 1.339 124.121 122.820 -0.063 0.000 2.578 228 A HA -0.124 4.196 4.320 -0.000 0.000 0.298 228 A C -0.483 176.861 177.584 -0.400 0.000 1.472 228 A CA 1.410 53.332 52.037 -0.190 0.000 0.734 228 A CB -2.407 16.513 19.000 -0.133 0.000 1.091 228 A HN 0.476 nan 8.150 nan 0.000 0.426 229 I N 0.597 120.788 120.570 -0.633 0.000 2.722 229 I HA 0.535 4.704 4.170 -0.000 0.000 0.295 229 I C -2.473 173.321 176.117 -0.538 0.000 1.161 229 I CA -2.350 58.484 61.300 -0.776 0.000 1.032 229 I CB 2.980 40.061 38.000 -1.532 0.000 1.244 229 I HN 0.223 nan 8.210 nan 0.000 0.421 230 P HA 0.302 nan 4.420 nan 0.000 0.287 230 P C -0.453 176.677 177.300 -0.284 0.000 1.279 230 P CA -0.439 62.444 63.100 -0.362 0.000 0.867 230 P CB 1.969 33.539 31.700 -0.216 0.000 1.127 231 Q N 1.823 121.505 119.800 -0.196 0.000 1.969 231 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 231 Q C 1.597 177.537 176.000 -0.099 0.000 0.978 231 Q CA 2.567 58.283 55.803 -0.144 0.000 0.830 231 Q CB -1.138 27.532 28.738 -0.113 0.000 0.896 231 Q HN 0.678 nan 8.270 nan 0.000 0.431 232 G N -0.511 108.255 108.800 -0.057 0.000 3.735 232 G HA2 0.209 4.169 3.960 -0.000 0.000 0.283 232 G HA3 0.209 4.169 3.960 -0.000 0.000 0.283 232 G C -0.433 174.469 174.900 0.003 0.000 1.007 232 G CA -0.371 44.714 45.100 -0.025 0.000 0.821 232 G HN 0.068 nan 8.290 nan 0.000 0.505 233 Q N 0.222 120.029 119.800 0.011 0.000 2.377 233 Q HA 0.339 4.679 4.340 -0.000 0.000 0.271 233 Q C 0.383 176.407 176.000 0.039 0.000 1.077 233 Q CA -0.473 55.369 55.803 0.065 0.000 0.820 233 Q CB 1.867 30.710 28.738 0.176 0.000 1.347 233 Q HN 0.195 nan 8.270 nan 0.000 0.444 234 S N -1.073 114.572 115.700 -0.092 0.000 2.605 234 S HA 0.200 4.670 4.470 -0.000 0.000 0.217 234 S C 0.785 175.366 174.600 -0.032 0.000 0.958 234 S CA -0.065 57.905 58.200 -0.384 0.000 0.919 234 S CB 0.130 62.595 63.200 -1.225 0.000 0.780 234 S HN 0.550 nan 8.310 nan 0.000 0.507 235 A N 2.316 125.293 122.820 0.260 0.000 3.063 235 A HA 0.522 4.842 4.320 -0.000 0.000 0.263 235 A C 0.106 177.923 177.584 0.387 0.000 1.736 235 A CA -0.591 51.667 52.037 0.369 0.000 1.408 235 A CB -1.194 17.953 19.000 0.245 0.000 1.108 235 A HN 0.904 nan 8.150 nan 0.000 0.621 236 H N -3.485 115.781 119.070 0.327 0.000 3.037 236 H HA 0.515 5.071 4.556 -0.000 0.000 0.355 236 H C -0.227 175.300 175.328 0.332 0.000 1.263 236 H CA -0.736 55.466 56.048 0.257 0.000 1.129 236 H CB 0.369 30.240 29.762 0.182 0.000 1.861 236 H HN 0.083 nan 8.280 nan 0.000 0.546 237 D N 0.370 120.941 120.400 0.285 0.000 2.116 237 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 237 D C 2.110 178.480 176.300 0.117 0.000 0.998 237 D CA 3.222 57.330 54.000 0.180 0.000 0.836 237 D CB -0.328 40.558 40.800 0.142 0.000 0.951 237 D HN 0.800 nan 8.370 nan 0.000 0.449 238 T N -1.752 112.875 114.554 0.122 0.000 2.867 238 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 238 T C 1.887 176.543 174.700 -0.073 0.000 1.057 238 T CA 0.643 62.780 62.100 0.062 0.000 1.136 238 T CB -0.653 68.300 68.868 0.142 0.000 0.874 238 T HN 0.157 nan 8.240 nan 0.000 0.466 239 F N 0.780 120.437 119.950 -0.488 0.000 2.113 239 F HA 0.104 4.631 4.527 -0.000 0.000 0.297 239 F C 1.840 177.370 175.800 -0.449 0.000 1.103 239 F CA 0.599 58.229 58.000 -0.616 0.000 1.248 239 F CB -0.610 37.820 39.000 -0.951 0.000 0.999 239 F HN 0.148 nan 8.300 nan 0.000 0.475 240 W N 0.607 121.815 121.300 -0.152 0.000 2.425 240 W HA -0.103 4.557 4.660 -0.001 0.000 0.277 240 W C 2.293 178.727 176.519 -0.142 0.000 1.231 240 W CA 1.015 58.264 57.345 -0.160 0.000 1.248 240 W CB -0.572 28.877 29.460 -0.018 0.000 1.117 240 W HN 0.079 nan 8.180 nan 0.000 0.568 241 D N -0.663 119.776 120.400 0.065 0.000 2.084 241 D HA -0.287 4.353 4.640 -0.000 0.000 0.194 241 D C 1.884 178.187 176.300 0.006 0.000 0.990 241 D CA 1.464 55.489 54.000 0.043 0.000 0.826 241 D CB -0.579 40.258 40.800 0.061 0.000 0.971 241 D HN 0.185 nan 8.370 nan 0.000 0.453 242 Y N 0.399 120.602 120.300 -0.162 0.000 2.128 242 Y HA -0.220 4.329 4.550 -0.000 0.000 0.284 242 Y C 2.286 178.065 175.900 -0.201 0.000 1.154 242 Y CA 1.622 59.617 58.100 -0.175 0.000 1.149 242 Y CB -0.385 37.933 38.460 -0.237 0.000 0.976 242 Y HN -0.106 nan 8.280 nan 0.000 0.505 243 V N 0.081 119.885 119.914 -0.183 0.000 2.287 243 V HA -0.353 3.766 4.120 -0.000 0.000 0.248 243 V C 2.606 178.643 176.094 -0.094 0.000 1.053 243 V CA 2.240 64.420 62.300 -0.200 0.000 1.027 243 V CB -1.273 30.326 31.823 -0.373 0.000 0.646 243 V HN 0.667 nan 8.190 nan 0.000 0.447 244 S N -0.118 115.572 115.700 -0.018 0.000 2.419 244 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 244 S C 1.712 176.280 174.600 -0.053 0.000 1.016 244 S CA 1.545 59.753 58.200 0.015 0.000 0.974 244 S CB -0.502 62.734 63.200 0.061 0.000 0.786 244 S HN 0.565 nan 8.310 nan 0.000 0.492 245 L N -0.057 121.087 121.223 -0.132 0.000 2.585 245 L HA 0.320 4.659 4.340 -0.000 0.000 0.226 245 L C 0.504 177.205 176.870 -0.281 0.000 1.113 245 L CA 0.110 54.844 54.840 -0.175 0.000 0.876 245 L CB 0.039 41.997 42.059 -0.169 0.000 1.072 245 L HN 0.252 nan 8.230 nan 0.000 0.468 246 Q N 0.335 119.923 119.800 -0.352 0.000 3.090 246 Q HA 0.232 4.572 4.340 -0.000 0.000 0.241 246 Q C -1.947 173.839 176.000 -0.357 0.000 0.958 246 Q CA -1.460 54.096 55.803 -0.412 0.000 0.715 246 Q CB 1.568 29.953 28.738 -0.589 0.000 1.298 246 Q HN -0.021 nan 8.270 nan 0.000 0.468 247 P HA -0.228 nan 4.420 nan 0.000 0.223 247 P C 0.989 177.968 177.300 -0.536 0.000 1.144 247 P CA 1.169 64.000 63.100 -0.449 0.000 0.783 247 P CB 0.275 31.646 31.700 -0.548 0.000 0.771 248 E N 0.669 120.449 120.200 -0.701 0.000 2.209 248 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 248 E C 1.537 178.092 176.600 -0.075 0.000 0.993 248 E CA 1.867 58.108 56.400 -0.266 0.000 0.819 248 E CB -1.297 28.319 29.700 -0.141 0.000 0.745 248 E HN 0.288 nan 8.360 nan 0.000 0.477 249 T N -0.545 113.970 114.554 -0.066 0.000 3.035 249 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 249 T C 1.971 176.737 174.700 0.110 0.000 1.109 249 T CA 0.485 62.614 62.100 0.048 0.000 1.119 249 T CB -0.355 68.575 68.868 0.104 0.000 0.900 249 T HN 0.149 nan 8.240 nan 0.000 0.503 250 L N 0.106 121.393 121.223 0.106 0.000 2.079 250 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 250 L C 2.844 179.880 176.870 0.277 0.000 1.081 250 L CA 1.899 56.871 54.840 0.221 0.000 0.752 250 L CB -0.812 41.383 42.059 0.226 0.000 0.896 250 L HN 0.483 nan 8.230 nan 0.000 0.433 251 H N 0.063 119.181 119.070 0.080 0.000 2.267 251 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 251 H C 2.200 177.538 175.328 0.017 0.000 1.080 251 H CA 1.882 57.977 56.048 0.077 0.000 1.278 251 H CB 0.183 29.954 29.762 0.016 0.000 1.365 251 H HN 0.368 nan 8.280 nan 0.000 0.489 252 N N -0.198 118.349 118.700 -0.254 0.000 2.223 252 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 252 N C 1.941 177.315 175.510 -0.226 0.000 1.016 252 N CA 0.804 53.495 53.050 -0.599 0.000 0.863 252 N CB 0.246 37.896 38.487 -1.395 0.000 0.983 252 N HN 0.124 nan 8.380 nan 0.000 0.429 253 V N 1.571 121.551 119.914 0.109 0.000 2.407 253 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 253 V C 2.456 178.689 176.094 0.231 0.000 1.055 253 V CA 1.205 63.694 62.300 0.315 0.000 1.049 253 V CB -0.336 31.713 31.823 0.377 0.000 0.662 253 V HN 0.406 nan 8.190 nan 0.000 0.455 254 M N -1.646 118.129 119.600 0.292 0.000 2.108 254 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 254 M C 2.091 178.412 176.300 0.035 0.000 1.066 254 M CA 1.898 57.379 55.300 0.301 0.000 1.107 254 M CB -1.122 31.692 32.600 0.358 0.000 1.356 254 M HN 0.467 nan 8.290 nan 0.000 0.406 255 W N 0.533 121.598 121.300 -0.391 0.000 2.358 255 W HA -0.098 4.562 4.660 -0.001 0.000 0.303 255 W C 2.794 179.264 176.519 -0.082 0.000 1.208 255 W CA 1.837 58.924 57.345 -0.430 0.000 1.274 255 W CB -0.973 28.170 29.460 -0.529 0.000 1.138 255 W HN 0.279 nan 8.180 nan 0.000 0.515 256 A N -0.737 122.188 122.820 0.175 0.000 1.969 256 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 256 A C 1.924 179.579 177.584 0.118 0.000 1.169 256 A CA 1.583 53.724 52.037 0.173 0.000 0.635 256 A CB -0.548 18.586 19.000 0.223 0.000 0.810 256 A HN 0.102 nan 8.150 nan 0.000 0.445 257 M N 0.586 120.213 119.600 0.045 0.000 2.419 257 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 257 M C 1.510 177.870 176.300 0.100 0.000 1.082 257 M CA 0.784 56.052 55.300 -0.053 0.000 1.119 257 M CB -1.347 30.977 32.600 -0.460 0.000 1.398 257 M HN 0.546 nan 8.290 nan 0.000 0.453 258 S N 0.381 116.199 115.700 0.196 0.000 2.626 258 S HA 0.058 4.528 4.470 -0.000 0.000 0.257 258 S C 0.766 175.506 174.600 0.233 0.000 1.288 258 S CA -0.338 58.012 58.200 0.250 0.000 0.980 258 S CB 0.892 64.288 63.200 0.326 0.000 0.975 258 S HN 0.201 nan 8.310 nan 0.000 0.577 259 D N 0.214 120.765 120.400 0.252 0.000 2.350 259 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 259 D C 1.912 178.365 176.300 0.255 0.000 0.968 259 D CA 0.347 54.517 54.000 0.282 0.000 0.894 259 D CB -0.165 40.867 40.800 0.386 0.000 0.909 259 D HN 0.382 nan 8.370 nan 0.000 0.520 260 R N 0.292 120.938 120.500 0.242 0.000 2.127 260 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 260 R C 2.054 178.522 176.300 0.280 0.000 1.134 260 R CA 1.067 57.336 56.100 0.282 0.000 0.975 260 R CB -0.888 29.645 30.300 0.388 0.000 0.865 260 R HN 0.187 nan 8.270 nan 0.000 0.447 261 G N 1.201 110.155 108.800 0.256 0.000 2.848 261 G HA2 0.004 3.964 3.960 -0.000 0.000 0.208 261 G HA3 0.004 3.964 3.960 -0.000 0.000 0.208 261 G C 0.980 176.030 174.900 0.251 0.000 1.152 261 G CA 0.070 45.314 45.100 0.240 0.000 0.789 261 G HN 0.423 nan 8.290 nan 0.000 0.531 262 I N -2.318 118.408 120.570 0.259 0.000 2.926 262 I HA 0.342 4.512 4.170 -0.000 0.000 0.295 262 I C -2.814 173.460 176.117 0.261 0.000 1.463 262 I CA -2.547 58.907 61.300 0.257 0.000 0.892 262 I CB 1.630 39.779 38.000 0.248 0.000 1.874 262 I HN -0.267 nan 8.210 nan 0.000 0.620 263 P HA 0.010 nan 4.420 nan 0.000 0.267 263 P C 0.568 178.015 177.300 0.245 0.000 1.200 263 P CA 0.003 63.222 63.100 0.198 0.000 0.772 263 P CB 1.191 32.944 31.700 0.089 0.000 0.855 264 R N 2.058 122.679 120.500 0.202 0.000 2.090 264 R HA 0.011 4.351 4.340 -0.000 0.000 0.228 264 R C 0.544 176.977 176.300 0.222 0.000 1.110 264 R CA 1.560 57.821 56.100 0.269 0.000 0.973 264 R CB -0.365 30.064 30.300 0.215 0.000 0.869 264 R HN 0.567 nan 8.270 nan 0.000 0.440 265 S N -2.777 112.856 115.700 -0.111 0.000 2.565 265 S HA 0.225 4.695 4.470 -0.000 0.000 0.269 265 S C -0.253 174.040 174.600 -0.512 0.000 1.153 265 S CA -0.889 57.065 58.200 -0.410 0.000 0.835 265 S CB 0.223 63.323 63.200 -0.168 0.000 1.122 265 S HN 0.122 nan 8.310 nan 0.000 0.462 266 Y N 2.011 121.943 120.300 -0.613 0.000 2.403 266 Y HA 0.062 4.612 4.550 -0.000 0.000 0.291 266 Y C 2.385 177.945 175.900 -0.567 0.000 1.143 266 Y CA 1.156 58.781 58.100 -0.790 0.000 1.257 266 Y CB -0.354 37.275 38.460 -1.384 0.000 0.984 266 Y HN 0.571 nan 8.280 nan 0.000 0.550 267 R N -0.528 119.845 120.500 -0.210 0.000 2.235 267 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 267 R C 0.953 177.214 176.300 -0.065 0.000 1.059 267 R CA 1.471 57.499 56.100 -0.119 0.000 0.997 267 R CB -0.355 29.866 30.300 -0.131 0.000 0.884 267 R HN 0.320 nan 8.270 nan 0.000 0.462 268 T N -1.658 112.872 114.554 -0.039 0.000 3.313 268 T HA 0.378 4.728 4.350 -0.000 0.000 0.263 268 T C 0.096 174.839 174.700 0.072 0.000 0.983 268 T CA -0.693 61.413 62.100 0.011 0.000 0.963 268 T CB -0.108 68.751 68.868 -0.015 0.000 1.141 268 T HN 0.075 nan 8.240 nan 0.000 0.526 269 M N -1.219 118.467 119.600 0.143 0.000 2.550 269 M HA 0.728 5.208 4.480 -0.000 0.000 0.292 269 M C -1.196 175.286 176.300 0.303 0.000 1.221 269 M CA -0.858 54.568 55.300 0.209 0.000 0.873 269 M CB 2.209 34.927 32.600 0.197 0.000 1.727 269 M HN -0.130 nan 8.290 nan 0.000 0.459 270 E N 0.478 120.852 120.200 0.290 0.000 2.342 270 E HA 0.674 5.024 4.350 -0.000 0.000 0.257 270 E C -0.290 176.386 176.600 0.127 0.000 1.150 270 E CA -0.531 55.976 56.400 0.178 0.000 0.926 270 E CB 1.591 31.340 29.700 0.083 0.000 1.074 270 E HN 0.863 nan 8.360 nan 0.000 0.449 271 G N 0.759 109.434 108.800 -0.209 0.000 2.638 271 G HA2 0.603 4.562 3.960 -0.000 0.000 0.302 271 G HA3 0.603 4.562 3.960 -0.000 0.000 0.302 271 G C -1.538 172.937 174.900 -0.708 0.000 1.365 271 G CA -0.489 44.460 45.100 -0.252 0.000 0.987 271 G HN 0.268 nan 8.290 nan 0.000 0.495 272 F N 0.093 119.977 119.950 -0.109 0.000 2.578 272 F HA 0.525 5.051 4.527 -0.001 0.000 0.311 272 F C 1.156 176.865 175.800 -0.152 0.000 1.094 272 F CA -0.507 57.358 58.000 -0.225 0.000 0.923 272 F CB 2.615 41.434 39.000 -0.302 0.000 1.230 272 F HN 0.592 nan 8.300 nan 0.000 0.450 273 G N 0.860 109.718 108.800 0.097 0.000 2.572 273 G HA2 0.086 4.045 3.960 -0.000 0.000 0.216 273 G HA3 0.086 4.045 3.960 -0.000 0.000 0.216 273 G C 1.224 176.178 174.900 0.089 0.000 1.133 273 G CA 0.906 46.122 45.100 0.194 0.000 0.791 273 G HN 0.803 nan 8.290 nan 0.000 0.538 274 I N -1.111 119.440 120.570 -0.031 0.000 4.624 274 I HA -0.331 3.839 4.170 -0.000 0.000 0.049 274 I C 0.594 176.577 176.117 -0.224 0.000 0.621 274 I CA 1.587 62.746 61.300 -0.235 0.000 0.836 274 I CB -1.234 36.527 38.000 -0.400 0.000 0.765 274 I HN 0.258 nan 8.210 nan 0.000 0.159 275 H N 2.276 121.335 119.070 -0.019 0.000 2.771 275 H HA 0.203 4.759 4.556 -0.000 0.000 0.364 275 H C 0.113 175.345 175.328 -0.160 0.000 1.133 275 H CA 0.617 56.560 56.048 -0.175 0.000 1.423 275 H CB 0.248 29.740 29.762 -0.451 0.000 1.425 275 H HN 0.211 nan 8.280 nan 0.000 0.606 276 T N 3.943 118.447 114.554 -0.083 0.000 2.779 276 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 276 T C 0.271 174.886 174.700 -0.142 0.000 0.938 276 T CA 0.046 62.089 62.100 -0.096 0.000 1.119 276 T CB -0.220 68.552 68.868 -0.161 0.000 0.891 276 T HN 0.238 nan 8.240 nan 0.000 0.526 277 F N 1.450 121.350 119.950 -0.082 0.000 2.629 277 F HA 0.682 5.208 4.527 -0.000 0.000 0.386 277 F C 1.028 176.780 175.800 -0.080 0.000 1.135 277 F CA -1.323 56.653 58.000 -0.040 0.000 1.116 277 F CB 1.368 40.328 39.000 -0.067 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.406 120.968 120.500 0.102 0.000 2.750 278 R HA 0.664 5.004 4.340 -0.000 0.000 0.281 278 R C -1.743 174.445 176.300 -0.187 0.000 0.972 278 R CA -0.910 55.118 56.100 -0.119 0.000 0.912 278 R CB 2.153 32.315 30.300 -0.229 0.000 1.187 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.372 124.437 121.223 -0.263 0.000 2.317 279 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 279 L C -0.591 176.127 176.870 -0.253 0.000 1.024 279 L CA -0.933 53.761 54.840 -0.243 0.000 0.810 279 L CB 1.501 43.421 42.059 -0.233 0.000 1.240 279 L HN 0.372 nan 8.230 nan 0.000 0.427 280 I N 2.949 123.393 120.570 -0.210 0.000 2.418 280 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 280 I C -0.262 175.771 176.117 -0.139 0.000 1.008 280 I CA -0.667 60.513 61.300 -0.200 0.000 1.104 280 I CB 1.396 39.282 38.000 -0.189 0.000 1.264 280 I HN 0.628 nan 8.210 nan 0.000 0.438 281 N N 4.963 123.592 118.700 -0.117 0.000 2.476 281 N HA 0.367 5.106 4.740 -0.000 0.000 0.287 281 N C 0.854 176.325 175.510 -0.065 0.000 1.262 281 N CA -0.358 52.643 53.050 -0.082 0.000 0.980 281 N CB 0.616 39.062 38.487 -0.068 0.000 1.163 281 N HN 0.518 nan 8.380 nan 0.000 0.592 282 A N -0.696 122.094 122.820 -0.049 0.000 2.070 282 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 282 A C 1.413 178.977 177.584 -0.032 0.000 1.159 282 A CA 1.275 53.289 52.037 -0.039 0.000 0.656 282 A CB -0.695 18.288 19.000 -0.028 0.000 0.800 282 A HN 0.734 nan 8.150 nan 0.000 0.453 283 E N -1.544 118.637 120.200 -0.031 0.000 2.481 283 E HA 0.286 4.636 4.350 -0.000 0.000 0.195 283 E C 1.270 177.860 176.600 -0.016 0.000 1.047 283 E CA 0.783 57.170 56.400 -0.022 0.000 0.867 283 E CB -0.031 29.657 29.700 -0.021 0.000 0.858 283 E HN 0.730 nan 8.360 nan 0.000 0.513 284 G N 1.103 109.890 108.800 -0.021 0.000 2.159 284 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.227 284 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.227 284 G C 0.260 175.181 174.900 0.036 0.000 0.986 284 G CA 0.190 45.297 45.100 0.012 0.000 0.651 284 G HN 0.265 nan 8.290 nan 0.000 0.523 285 K N 0.832 121.213 120.400 -0.030 0.000 2.276 285 K HA 0.683 5.003 4.320 -0.000 0.000 0.283 285 K C 0.529 177.002 176.600 -0.211 0.000 1.044 285 K CA 0.166 56.409 56.287 -0.073 0.000 0.944 285 K CB 0.686 33.145 32.500 -0.068 0.000 1.012 285 K HN 0.601 nan 8.250 nan 0.000 0.472 286 A N 3.453 126.044 122.820 -0.382 0.000 2.301 286 A HA 0.427 4.746 4.320 -0.000 0.000 0.312 286 A C -0.760 176.521 177.584 -0.505 0.000 1.182 286 A CA -0.518 51.136 52.037 -0.638 0.000 0.826 286 A CB 1.140 19.373 19.000 -1.278 0.000 1.134 286 A HN 0.740 nan 8.150 nan 0.000 0.501 287 T N 2.356 116.645 114.554 -0.441 0.000 2.848 287 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 287 T C -0.660 173.832 174.700 -0.347 0.000 0.995 287 T CA -0.081 61.814 62.100 -0.342 0.000 0.970 287 T CB 0.406 69.162 68.868 -0.186 0.000 0.976 287 T HN 0.341 nan 8.240 nan 0.000 0.441 288 F N 2.193 122.051 119.950 -0.154 0.000 2.471 288 F HA 0.503 5.030 4.527 -0.000 0.000 0.353 288 F C 0.589 176.275 175.800 -0.191 0.000 1.113 288 F CA -0.367 57.537 58.000 -0.160 0.000 1.262 288 F CB 0.636 39.561 39.000 -0.125 0.000 1.146 288 F HN 0.189 nan 8.300 nan 0.000 0.578 289 V N 4.801 124.677 119.914 -0.064 0.000 2.841 289 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 289 V C -1.008 174.871 176.094 -0.359 0.000 1.090 289 V CA -0.788 61.335 62.300 -0.295 0.000 0.930 289 V CB 2.138 33.568 31.823 -0.655 0.000 1.014 289 V HN 0.765 nan 8.190 nan 0.000 0.425 290 R N 4.725 125.061 120.500 -0.274 0.000 2.534 290 R HA 0.536 4.876 4.340 -0.000 0.000 0.301 290 R C -1.638 174.595 176.300 -0.112 0.000 0.961 290 R CA -0.462 55.522 56.100 -0.193 0.000 0.871 290 R CB 1.973 32.276 30.300 0.005 0.000 1.170 290 R HN 0.603 nan 8.270 nan 0.000 0.446 291 F N 2.422 122.419 119.950 0.079 0.000 2.384 291 F HA 0.344 4.871 4.527 -0.000 0.000 0.338 291 F C 1.028 176.761 175.800 -0.113 0.000 1.103 291 F CA -0.018 57.996 58.000 0.023 0.000 1.157 291 F CB 0.786 39.698 39.000 -0.145 0.000 1.167 291 F HN 0.208 nan 8.300 nan 0.000 0.529 292 H N 0.986 120.063 119.070 0.012 0.000 2.768 292 H HA 0.264 4.819 4.556 -0.000 0.000 0.371 292 H C -1.546 173.544 175.328 -0.396 0.000 1.151 292 H CA -0.987 54.954 56.048 -0.178 0.000 1.165 292 H CB 1.957 31.708 29.762 -0.018 0.000 1.722 292 H HN 0.667 nan 8.280 nan 0.000 0.543 293 W N 2.199 123.383 121.300 -0.194 0.000 2.600 293 W HA 0.331 4.991 4.660 -0.000 0.000 0.325 293 W C -0.124 176.407 176.519 0.020 0.000 1.034 293 W CA -0.762 56.516 57.345 -0.111 0.000 1.226 293 W CB 1.782 31.009 29.460 -0.389 0.000 1.379 293 W HN 0.277 nan 8.180 nan 0.000 0.466 294 K N 5.459 126.115 120.400 0.427 0.000 2.235 294 K HA 0.419 4.738 4.320 -0.000 0.000 0.266 294 K C -2.435 174.387 176.600 0.369 0.000 0.980 294 K CA -1.941 54.541 56.287 0.324 0.000 0.849 294 K CB 1.514 34.159 32.500 0.240 0.000 1.098 294 K HN 0.032 nan 8.250 nan 0.000 0.445 295 P HA 0.058 nan 4.420 nan 0.000 0.276 295 P C 0.261 177.574 177.300 0.023 0.000 1.264 295 P CA -0.066 63.107 63.100 0.121 0.000 0.769 295 P CB 0.695 32.475 31.700 0.135 0.000 0.840 296 L N 2.524 123.704 121.223 -0.072 0.000 2.465 296 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 296 L C 2.068 178.918 176.870 -0.033 0.000 1.145 296 L CA 0.874 55.704 54.840 -0.017 0.000 0.834 296 L CB -0.507 41.550 42.059 -0.003 0.000 0.944 296 L HN 0.342 nan 8.230 nan 0.000 0.451 297 A N -0.016 122.761 122.820 -0.073 0.000 2.251 297 A HA 0.444 4.764 4.320 -0.000 0.000 0.209 297 A C 1.252 178.832 177.584 -0.007 0.000 1.187 297 A CA 0.584 52.593 52.037 -0.046 0.000 0.823 297 A CB -0.319 18.637 19.000 -0.073 0.000 0.846 297 A HN 0.435 nan 8.150 nan 0.000 0.486 298 G N -0.513 108.298 108.800 0.018 0.000 2.757 298 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.638 298 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.638 298 G C -0.605 174.324 174.900 0.050 0.000 1.344 298 G CA -0.405 44.725 45.100 0.049 0.000 0.855 298 G HN 0.461 nan 8.290 nan 0.000 0.537 299 K N 0.158 120.594 120.400 0.059 0.000 2.183 299 K HA 0.717 5.037 4.320 -0.000 0.000 0.274 299 K C 0.167 176.768 176.600 0.003 0.000 1.009 299 K CA 0.199 56.508 56.287 0.037 0.000 0.888 299 K CB 1.760 34.271 32.500 0.019 0.000 1.078 299 K HN 1.445 nan 8.250 nan 0.000 0.459 300 A N 1.782 124.596 122.820 -0.010 0.000 2.540 300 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 300 A C -1.142 176.509 177.584 0.111 0.000 1.056 300 A CA -0.663 51.339 52.037 -0.058 0.000 0.700 300 A CB 1.686 20.444 19.000 -0.403 0.000 1.280 300 A HN 0.517 nan 8.150 nan 0.000 0.398 301 S N 0.530 116.463 115.700 0.389 0.000 2.632 301 S HA 0.773 5.243 4.470 -0.000 0.000 0.289 301 S C -0.105 174.820 174.600 0.540 0.000 1.115 301 S CA -0.596 57.855 58.200 0.419 0.000 0.889 301 S CB 1.212 64.642 63.200 0.384 0.000 1.116 301 S HN 0.648 nan 8.310 nan 0.000 0.486 302 L N 1.243 122.669 121.223 0.339 0.000 2.543 302 L HA 0.577 4.916 4.340 -0.000 0.000 0.231 302 L C -0.031 176.950 176.870 0.184 0.000 1.194 302 L CA -0.827 54.132 54.840 0.199 0.000 0.823 302 L CB 0.229 42.315 42.059 0.046 0.000 1.374 302 L HN 0.486 nan 8.230 nan 0.000 0.507 303 V N -3.080 116.841 119.914 0.012 0.000 2.732 303 V HA 0.178 4.297 4.120 -0.000 0.000 0.310 303 V C 0.695 176.730 176.094 -0.097 0.000 1.053 303 V CA -0.803 61.474 62.300 -0.039 0.000 0.957 303 V CB 1.580 33.357 31.823 -0.078 0.000 1.018 303 V HN 0.935 nan 8.190 nan 0.000 0.452 304 W N 2.123 123.295 121.300 -0.213 0.000 2.317 304 W HA -0.247 4.413 4.660 -0.000 0.000 0.318 304 W C 1.774 178.141 176.519 -0.253 0.000 1.227 304 W CA 2.670 59.885 57.345 -0.218 0.000 1.269 304 W CB -0.135 29.187 29.460 -0.230 0.000 1.155 304 W HN 1.005 nan 8.180 nan 0.000 0.484 305 D N 0.139 120.268 120.400 -0.452 0.000 2.123 305 D HA -0.288 4.352 4.640 -0.000 0.000 0.196 305 D C 2.150 178.097 176.300 -0.588 0.000 0.992 305 D CA 2.180 55.885 54.000 -0.491 0.000 0.833 305 D CB -0.483 40.279 40.800 -0.063 0.000 0.954 305 D HN 0.391 nan 8.370 nan 0.000 0.455 306 E N -0.413 119.308 120.200 -0.799 0.000 2.051 306 E HA -0.207 4.142 4.350 -0.000 0.000 0.192 306 E C 2.035 178.287 176.600 -0.580 0.000 0.991 306 E CA 1.072 56.948 56.400 -0.872 0.000 0.799 306 E CB -0.232 28.865 29.700 -1.004 0.000 0.748 306 E HN 0.307 nan 8.360 nan 0.000 0.449 307 A N 1.149 123.646 122.820 -0.540 0.000 1.883 307 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 307 A C 2.190 179.434 177.584 -0.567 0.000 1.186 307 A CA 1.897 53.658 52.037 -0.459 0.000 0.624 307 A CB -0.759 18.059 19.000 -0.302 0.000 0.822 307 A HN 0.453 nan 8.150 nan 0.000 0.444 308 Q N -0.418 118.845 119.800 -0.896 0.000 2.079 308 Q HA -0.179 4.160 4.340 -0.000 0.000 0.200 308 Q C 2.024 177.746 176.000 -0.464 0.000 0.974 308 Q CA 1.688 57.001 55.803 -0.817 0.000 0.840 308 Q CB -0.112 27.891 28.738 -1.226 0.000 0.898 308 Q HN 0.681 nan 8.270 nan 0.000 0.430 309 K N 0.127 120.277 120.400 -0.417 0.000 2.057 309 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 309 K C 2.070 178.525 176.600 -0.241 0.000 1.049 309 K CA 0.949 57.082 56.287 -0.257 0.000 0.931 309 K CB -0.169 32.221 32.500 -0.185 0.000 0.714 309 K HN 0.163 nan 8.250 nan 0.000 0.440 310 L N 1.676 122.711 121.223 -0.313 0.000 2.191 310 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 310 L C 2.314 179.039 176.870 -0.242 0.000 1.103 310 L CA 1.973 56.622 54.840 -0.317 0.000 0.769 310 L CB -0.983 40.791 42.059 -0.476 0.000 0.908 310 L HN 0.323 nan 8.230 nan 0.000 0.438 311 T N -4.509 109.907 114.554 -0.230 0.000 2.881 311 T HA -0.075 4.275 4.350 -0.000 0.000 0.270 311 T C 1.821 176.452 174.700 -0.115 0.000 1.068 311 T CA 1.020 63.026 62.100 -0.156 0.000 1.131 311 T CB -0.886 67.900 68.868 -0.138 0.000 0.871 311 T HN 0.386 nan 8.240 nan 0.000 0.479 312 G N 0.967 109.695 108.800 -0.120 0.000 2.490 312 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 312 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 312 G C 1.902 176.757 174.900 -0.075 0.000 1.159 312 G CA -0.309 44.739 45.100 -0.087 0.000 0.819 312 G HN 0.289 nan 8.290 nan 0.000 0.539 313 R N 0.345 120.790 120.500 -0.091 0.000 2.090 313 R HA 0.035 4.374 4.340 -0.000 0.000 0.228 313 R C -0.125 176.147 176.300 -0.047 0.000 1.110 313 R CA 0.907 56.967 56.100 -0.068 0.000 0.973 313 R CB -0.259 29.993 30.300 -0.080 0.000 0.869 313 R HN 0.345 nan 8.270 nan 0.000 0.440 314 D N -0.451 119.914 120.400 -0.058 0.000 2.411 314 D HA 0.153 4.793 4.640 -0.000 0.000 0.239 314 D C -2.123 174.174 176.300 -0.004 0.000 1.307 314 D CA -1.860 52.140 54.000 -0.000 0.000 0.930 314 D CB 1.332 42.184 40.800 0.088 0.000 1.395 314 D HN -0.148 nan 8.370 nan 0.000 0.536 315 P HA 0.010 nan 4.420 nan 0.000 0.228 315 P C 0.029 177.329 177.300 0.001 0.000 1.151 315 P CA 0.670 63.753 63.100 -0.028 0.000 0.770 315 P CB 0.458 32.138 31.700 -0.032 0.000 0.786 316 D N -1.502 118.911 120.400 0.022 0.000 2.525 316 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 316 D C 1.151 177.490 176.300 0.065 0.000 1.202 316 D CA -0.466 53.553 54.000 0.033 0.000 0.828 316 D CB -0.542 40.255 40.800 -0.005 0.000 1.008 316 D HN 0.110 nan 8.370 nan 0.000 0.493 317 F N 1.218 121.112 119.950 -0.095 0.000 2.095 317 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 317 F C 2.103 177.885 175.800 -0.029 0.000 1.104 317 F CA 1.864 59.807 58.000 -0.095 0.000 1.232 317 F CB 0.080 38.970 39.000 -0.183 0.000 0.987 317 F HN 0.132 nan 8.300 nan 0.000 0.475 318 H N -1.268 117.738 119.070 -0.107 0.000 2.395 318 H HA -0.091 4.464 4.556 -0.000 0.000 0.299 318 H C 2.379 177.614 175.328 -0.156 0.000 1.070 318 H CA 0.848 56.690 56.048 -0.344 0.000 1.356 318 H CB -0.076 29.314 29.762 -0.621 0.000 1.401 318 H HN 0.186 nan 8.280 nan 0.000 0.524 319 R N 1.275 121.872 120.500 0.161 0.000 2.073 319 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 319 R C 2.450 178.851 176.300 0.168 0.000 1.134 319 R CA 1.320 57.563 56.100 0.239 0.000 0.952 319 R CB -0.033 30.393 30.300 0.210 0.000 0.850 319 R HN 0.185 nan 8.270 nan 0.000 0.433 320 R N 0.372 120.897 120.500 0.041 0.000 2.073 320 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 320 R C 2.207 178.502 176.300 -0.010 0.000 1.134 320 R CA 1.775 57.876 56.100 0.002 0.000 0.952 320 R CB -0.267 29.996 30.300 -0.062 0.000 0.850 320 R HN 0.261 nan 8.270 nan 0.000 0.433 321 E N 0.690 120.782 120.200 -0.181 0.000 2.077 321 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 321 E C 2.003 178.579 176.600 -0.040 0.000 0.989 321 E CA 1.163 57.438 56.400 -0.207 0.000 0.800 321 E CB -0.112 29.306 29.700 -0.470 0.000 0.746 321 E HN 0.275 nan 8.360 nan 0.000 0.452 322 L N 0.805 122.047 121.223 0.032 0.000 2.017 322 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 322 L C 2.253 179.231 176.870 0.179 0.000 1.073 322 L CA 1.849 56.756 54.840 0.111 0.000 0.745 322 L CB -0.918 41.268 42.059 0.212 0.000 0.894 322 L HN 0.310 nan 8.230 nan 0.000 0.432 323 W N 0.834 122.169 121.300 0.057 0.000 2.355 323 W HA -0.205 4.455 4.660 -0.000 0.000 0.309 323 W C 2.221 178.768 176.519 0.048 0.000 1.206 323 W CA 2.123 59.513 57.345 0.075 0.000 1.284 323 W CB -0.098 29.409 29.460 0.078 0.000 1.145 323 W HN 0.346 nan 8.180 nan 0.000 0.502 324 E N -0.053 120.321 120.200 0.290 0.000 2.152 324 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 324 E C 2.351 178.984 176.600 0.055 0.000 0.983 324 E CA 1.018 57.511 56.400 0.154 0.000 0.818 324 E CB -0.319 29.424 29.700 0.071 0.000 0.758 324 E HN 0.176 nan 8.360 nan 0.000 0.467 325 A N 1.319 124.169 122.820 0.049 0.000 1.877 325 A HA -0.182 4.137 4.320 -0.000 0.000 0.216 325 A C 2.161 179.769 177.584 0.039 0.000 1.186 325 A CA 1.107 53.165 52.037 0.035 0.000 0.620 325 A CB -0.574 18.447 19.000 0.035 0.000 0.822 325 A HN 0.140 nan 8.150 nan 0.000 0.443 326 I N -0.451 120.166 120.570 0.078 0.000 2.286 326 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 326 I C 2.437 178.615 176.117 0.103 0.000 1.115 326 I CA 1.413 62.808 61.300 0.159 0.000 1.392 326 I CB -0.366 37.665 38.000 0.052 0.000 1.065 326 I HN 0.428 nan 8.210 nan 0.000 0.418 327 E N 0.720 120.934 120.200 0.024 0.000 2.204 327 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 327 E C 2.167 178.776 176.600 0.015 0.000 0.989 327 E CA 1.125 57.547 56.400 0.037 0.000 0.824 327 E CB -0.040 29.715 29.700 0.092 0.000 0.756 327 E HN 0.502 nan 8.360 nan 0.000 0.477 328 A N 0.008 122.815 122.820 -0.023 0.000 2.178 328 A HA 0.224 4.544 4.320 -0.000 0.000 0.211 328 A C 1.754 179.264 177.584 -0.123 0.000 1.157 328 A CA 0.973 52.978 52.037 -0.054 0.000 0.780 328 A CB 0.029 18.991 19.000 -0.063 0.000 0.828 328 A HN 0.330 nan 8.150 nan 0.000 0.476 329 G N -0.547 108.085 108.800 -0.280 0.000 2.159 329 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.227 329 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.227 329 G C -0.254 174.163 174.900 -0.805 0.000 0.986 329 G CA 0.197 44.848 45.100 -0.748 0.000 0.651 329 G HN 0.416 nan 8.290 nan 0.000 0.523 330 D N 1.068 121.244 120.400 -0.373 0.000 2.994 330 D HA 0.285 4.925 4.640 -0.000 0.000 0.240 330 D C 0.698 176.943 176.300 -0.093 0.000 1.195 330 D CA -0.178 53.709 54.000 -0.190 0.000 0.957 330 D CB -0.670 40.116 40.800 -0.025 0.000 1.105 330 D HN 0.431 nan 8.370 nan 0.000 0.477 331 F N 1.411 121.363 119.950 0.003 0.000 2.578 331 F HA 0.097 4.624 4.527 -0.000 0.000 0.381 331 F C -1.380 174.390 175.800 -0.049 0.000 1.069 331 F CA -1.969 56.025 58.000 -0.010 0.000 1.231 331 F CB -0.006 39.000 39.000 0.010 0.000 1.086 331 F HN -0.101 nan 8.300 nan 0.000 0.564 332 P HA 0.002 nan 4.420 nan 0.000 0.262 332 P C -1.044 176.192 177.300 -0.108 0.000 1.199 332 P CA 0.438 63.521 63.100 -0.028 0.000 0.763 332 P CB 0.382 32.142 31.700 0.099 0.000 0.790 333 E N 2.683 122.684 120.200 -0.331 0.000 2.210 333 E HA 0.423 4.772 4.350 -0.000 0.000 0.266 333 E C -1.007 175.312 176.600 -0.469 0.000 0.883 333 E CA -0.584 55.675 56.400 -0.236 0.000 0.761 333 E CB 1.428 31.088 29.700 -0.067 0.000 1.156 333 E HN 0.383 nan 8.360 nan 0.000 0.412 334 Y N 0.397 120.766 120.300 0.115 0.000 2.477 334 Y HA 0.256 4.805 4.550 -0.001 0.000 0.347 334 Y C -0.170 175.956 175.900 0.377 0.000 0.981 334 Y CA -0.984 57.257 58.100 0.235 0.000 1.033 334 Y CB 1.995 40.567 38.460 0.186 0.000 1.245 334 Y HN 0.458 nan 8.280 nan 0.000 0.455 335 E N 2.863 123.391 120.200 0.546 0.000 2.109 335 E HA 0.371 4.721 4.350 -0.000 0.000 0.278 335 E C -1.482 175.389 176.600 0.451 0.000 0.954 335 E CA -0.956 55.716 56.400 0.453 0.000 0.779 335 E CB 0.964 30.865 29.700 0.335 0.000 1.093 335 E HN 0.599 nan 8.360 nan 0.000 0.401 336 L N 4.424 125.852 121.223 0.341 0.000 2.410 336 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 336 L C -0.032 176.778 176.870 -0.099 0.000 1.152 336 L CA 0.692 55.449 54.840 -0.139 0.000 0.855 336 L CB 0.975 42.880 42.059 -0.256 0.000 1.129 336 L HN 0.584 nan 8.230 nan 0.000 0.463 337 G N 4.384 113.136 108.800 -0.080 0.000 2.612 337 G HA2 0.590 4.549 3.960 -0.000 0.000 0.298 337 G HA3 0.590 4.549 3.960 -0.000 0.000 0.298 337 G C -1.643 173.392 174.900 0.224 0.000 1.336 337 G CA -0.538 44.553 45.100 -0.014 0.000 0.953 337 G HN 0.465 nan 8.290 nan 0.000 0.482 338 F N 0.100 120.074 119.950 0.040 0.000 2.529 338 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 338 F C 0.281 176.079 175.800 -0.003 0.000 1.118 338 F CA -0.980 57.046 58.000 0.044 0.000 0.915 338 F CB 2.659 41.672 39.000 0.023 0.000 1.161 338 F HN 0.127 nan 8.300 nan 0.000 0.445 339 Q N 4.427 124.345 119.800 0.196 0.000 2.331 339 Q HA 0.491 4.831 4.340 -0.000 0.000 0.257 339 Q C -1.113 174.929 176.000 0.069 0.000 0.957 339 Q CA -0.456 55.406 55.803 0.097 0.000 0.923 339 Q CB 1.963 30.764 28.738 0.106 0.000 1.212 339 Q HN 0.540 nan 8.270 nan 0.000 0.443 340 L N 4.416 125.686 121.223 0.078 0.000 2.313 340 L HA 0.562 4.902 4.340 -0.000 0.000 0.283 340 L C -0.829 176.092 176.870 0.085 0.000 1.013 340 L CA -0.766 54.110 54.840 0.060 0.000 0.816 340 L CB 1.168 43.269 42.059 0.071 0.000 1.236 340 L HN 0.494 nan 8.230 nan 0.000 0.419 341 I N 4.718 125.353 120.570 0.109 0.000 2.447 341 I HA 0.420 4.590 4.170 -0.000 0.000 0.287 341 I C -2.251 173.971 176.117 0.175 0.000 1.023 341 I CA -1.959 59.446 61.300 0.175 0.000 1.083 341 I CB 1.726 39.856 38.000 0.216 0.000 1.245 341 I HN 0.312 nan 8.210 nan 0.000 0.434 342 P HA 0.029 nan 4.420 nan 0.000 0.267 342 P C 0.673 178.026 177.300 0.088 0.000 1.200 342 P CA -0.098 63.031 63.100 0.049 0.000 0.772 342 P CB 0.872 32.594 31.700 0.037 0.000 0.855 343 E N 2.203 122.367 120.200 -0.060 0.000 2.118 343 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 343 E C 1.402 178.078 176.600 0.128 0.000 0.992 343 E CA 1.115 57.477 56.400 -0.063 0.000 0.804 343 E CB 0.036 29.617 29.700 -0.197 0.000 0.741 343 E HN 0.504 nan 8.360 nan 0.000 0.458 344 E N 0.183 120.430 120.200 0.078 0.000 2.478 344 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 344 E C 0.277 176.930 176.600 0.089 0.000 1.046 344 E CA 0.747 57.201 56.400 0.091 0.000 0.870 344 E CB 0.045 29.780 29.700 0.058 0.000 0.818 344 E HN 0.215 nan 8.360 nan 0.000 0.527 345 D N 1.336 121.791 120.400 0.093 0.000 2.358 345 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 345 D C 1.283 177.602 176.300 0.031 0.000 1.123 345 D CA 0.027 54.055 54.000 0.047 0.000 0.833 345 D CB 0.214 41.056 40.800 0.071 0.000 0.946 345 D HN 0.419 nan 8.370 nan 0.000 0.505 346 E N -0.211 119.974 120.200 -0.026 0.000 2.085 346 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 346 E C 0.373 176.636 176.600 -0.561 0.000 0.994 346 E CA 1.058 57.227 56.400 -0.384 0.000 0.801 346 E CB 0.037 29.372 29.700 -0.609 0.000 0.743 346 E HN 0.256 nan 8.360 nan 0.000 0.453 347 F N -0.179 119.765 119.950 -0.009 0.000 2.750 347 F HA 0.296 4.823 4.527 -0.000 0.000 0.297 347 F C 1.097 176.816 175.800 -0.135 0.000 1.138 347 F CA -0.300 57.669 58.000 -0.052 0.000 1.346 347 F CB 0.627 39.608 39.000 -0.031 0.000 0.965 347 F HN -0.182 nan 8.300 nan 0.000 0.514 348 K N 0.009 120.302 120.400 -0.177 0.000 2.444 348 K HA 0.151 4.471 4.320 -0.000 0.000 0.193 348 K C -0.204 175.961 176.600 -0.726 0.000 1.024 348 K CA 0.267 56.288 56.287 -0.444 0.000 1.077 348 K CB 0.234 32.400 32.500 -0.555 0.000 0.833 348 K HN 0.173 nan 8.250 nan 0.000 0.517 349 F N -0.020 119.783 119.950 -0.245 0.000 2.518 349 F HA 0.157 4.684 4.527 -0.000 0.000 0.338 349 F C 1.323 176.960 175.800 -0.271 0.000 1.065 349 F CA -0.963 56.812 58.000 -0.375 0.000 1.012 349 F CB 0.727 39.117 39.000 -1.017 0.000 1.297 349 F HN -0.207 nan 8.300 nan 0.000 0.489 350 D N 0.105 120.553 120.400 0.080 0.000 2.317 350 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 350 D C -0.190 176.233 176.300 0.204 0.000 0.966 350 D CA 1.028 55.130 54.000 0.170 0.000 0.876 350 D CB -0.135 40.844 40.800 0.298 0.000 0.927 350 D HN 0.256 nan 8.370 nan 0.000 0.519 351 F N -1.093 118.942 119.950 0.142 0.000 2.618 351 F HA 0.494 5.021 4.527 -0.000 0.000 0.332 351 F C -0.061 175.735 175.800 -0.006 0.000 1.061 351 F CA -1.553 56.455 58.000 0.013 0.000 0.974 351 F CB 0.841 39.804 39.000 -0.062 0.000 1.310 351 F HN -0.405 nan 8.300 nan 0.000 0.491 352 D N 1.506 121.912 120.400 0.010 0.000 2.277 352 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 352 D C 0.924 177.148 176.300 -0.127 0.000 1.134 352 D CA -0.103 53.848 54.000 -0.082 0.000 0.863 352 D CB 1.543 42.316 40.800 -0.044 0.000 1.143 352 D HN 0.738 nan 8.370 nan 0.000 0.458 353 L N 3.414 124.498 121.223 -0.233 0.000 2.275 353 L HA -0.105 4.234 4.340 -0.000 0.000 0.215 353 L C 1.959 178.693 176.870 -0.227 0.000 1.119 353 L CA 0.631 55.315 54.840 -0.260 0.000 0.790 353 L CB -0.091 41.677 42.059 -0.486 0.000 0.919 353 L HN 0.432 nan 8.230 nan 0.000 0.443 354 L N -0.919 120.198 121.223 -0.176 0.000 2.591 354 L HA 0.064 4.404 4.340 -0.000 0.000 0.228 354 L C 0.390 177.201 176.870 -0.098 0.000 1.133 354 L CA -0.112 54.692 54.840 -0.060 0.000 0.880 354 L CB -0.332 41.794 42.059 0.111 0.000 1.033 354 L HN 0.099 nan 8.230 nan 0.000 0.450 355 D N 1.833 121.954 120.400 -0.465 0.000 2.347 355 D HA 0.131 4.770 4.640 -0.000 0.000 0.235 355 D C -1.646 174.445 176.300 -0.349 0.000 1.149 355 D CA -2.320 51.183 54.000 -0.829 0.000 0.850 355 D CB 1.609 41.623 40.800 -1.311 0.000 1.061 355 D HN -0.088 nan 8.370 nan 0.000 0.487 356 P HA -0.006 nan 4.420 nan 0.000 0.245 356 P C 0.734 177.942 177.300 -0.154 0.000 1.212 356 P CA 0.494 63.527 63.100 -0.112 0.000 0.774 356 P CB -0.038 31.677 31.700 0.024 0.000 0.999 357 T N -4.548 109.903 114.554 -0.172 0.000 3.086 357 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 357 T C 0.687 175.296 174.700 -0.151 0.000 1.074 357 T CA -0.164 61.846 62.100 -0.149 0.000 0.988 357 T CB -0.088 68.742 68.868 -0.065 0.000 0.988 357 T HN -0.143 nan 8.240 nan 0.000 0.530 358 K N 2.122 122.343 120.400 -0.298 0.000 2.221 358 K HA 0.594 4.914 4.320 -0.000 0.000 0.258 358 K C -0.434 175.983 176.600 -0.306 0.000 0.944 358 K CA -0.837 55.149 56.287 -0.501 0.000 0.823 358 K CB 2.285 34.376 32.500 -0.681 0.000 1.113 358 K HN 0.272 nan 8.250 nan 0.000 0.431 359 L N -0.484 120.681 121.223 -0.097 0.000 2.358 359 L HA 0.660 4.999 4.340 -0.000 0.000 0.268 359 L C -0.038 176.670 176.870 -0.269 0.000 1.032 359 L CA -0.523 54.232 54.840 -0.142 0.000 0.805 359 L CB 0.355 42.386 42.059 -0.047 0.000 1.253 359 L HN 0.454 nan 8.230 nan 0.000 0.452 360 I N 1.544 122.036 120.570 -0.129 0.000 2.337 360 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 360 I C -2.127 174.000 176.117 0.017 0.000 1.041 360 I CA -1.713 59.554 61.300 -0.055 0.000 1.199 360 I CB 1.091 39.084 38.000 -0.011 0.000 1.370 360 I HN 0.444 nan 8.210 nan 0.000 0.470 361 P HA -0.021 nan 4.420 nan 0.000 0.262 361 P C 0.366 177.722 177.300 0.094 0.000 1.182 361 P CA 0.255 63.389 63.100 0.058 0.000 0.761 361 P CB 0.586 32.315 31.700 0.048 0.000 0.795 362 E N 1.759 122.022 120.200 0.105 0.000 2.268 362 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 362 E C 1.374 178.023 176.600 0.081 0.000 0.995 362 E CA 0.679 57.132 56.400 0.088 0.000 0.836 362 E CB 0.011 29.765 29.700 0.090 0.000 0.763 362 E HN 0.504 nan 8.360 nan 0.000 0.491 363 E N 0.393 120.643 120.200 0.083 0.000 2.204 363 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 363 E C 2.040 178.700 176.600 0.100 0.000 0.989 363 E CA 0.705 57.151 56.400 0.078 0.000 0.824 363 E CB 0.100 29.840 29.700 0.067 0.000 0.756 363 E HN 0.364 nan 8.360 nan 0.000 0.477 364 L N -0.355 120.949 121.223 0.135 0.000 2.145 364 L HA 0.042 4.382 4.340 -0.000 0.000 0.201 364 L C 0.657 177.641 176.870 0.190 0.000 1.075 364 L CA 0.486 55.444 54.840 0.196 0.000 0.773 364 L CB 0.351 42.597 42.059 0.312 0.000 0.936 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 1.294 121.296 119.914 0.147 0.000 2.419 365 V HA 0.318 4.438 4.120 -0.000 0.000 0.287 365 V C -2.377 173.761 176.094 0.072 0.000 1.017 365 V CA -1.473 60.898 62.300 0.119 0.000 0.844 365 V CB 1.440 33.326 31.823 0.105 0.000 1.011 365 V HN -0.034 nan 8.190 nan 0.000 0.429 366 P HA 0.198 nan 4.420 nan 0.000 0.272 366 P C -0.324 176.974 177.300 -0.004 0.000 1.230 366 P CA -0.054 63.064 63.100 0.030 0.000 0.788 366 P CB 1.205 32.926 31.700 0.036 0.000 0.949 367 V N 2.868 122.749 119.914 -0.055 0.000 2.432 367 V HA 0.104 4.224 4.120 -0.000 0.000 0.271 367 V C 0.846 176.929 176.094 -0.018 0.000 1.046 367 V CA -0.019 62.215 62.300 -0.109 0.000 0.945 367 V CB 0.329 32.001 31.823 -0.252 0.000 0.992 367 V HN 0.550 nan 8.190 nan 0.000 0.471 368 Q N 6.202 126.014 119.800 0.020 0.000 2.279 368 Q HA 0.331 4.671 4.340 -0.000 0.000 0.256 368 Q C 0.373 176.373 176.000 -0.000 0.000 0.937 368 Q CA -0.774 55.044 55.803 0.026 0.000 0.933 368 Q CB 0.778 29.544 28.738 0.048 0.000 1.189 368 Q HN 0.820 nan 8.270 nan 0.000 0.417 369 R N 2.281 122.804 120.500 0.038 0.000 2.543 369 R HA 0.114 4.454 4.340 -0.000 0.000 0.277 369 R C -0.628 175.701 176.300 0.048 0.000 1.074 369 R CA -0.274 55.885 56.100 0.099 0.000 1.076 369 R CB 0.771 31.206 30.300 0.225 0.000 0.993 369 R HN 0.517 nan 8.270 nan 0.000 0.459 370 V N 1.570 121.429 119.914 -0.092 0.000 3.250 370 V HA 0.333 4.453 4.120 -0.000 0.000 0.240 370 V C 0.806 176.665 176.094 -0.391 0.000 1.275 370 V CA 1.034 63.160 62.300 -0.290 0.000 1.206 370 V CB 0.785 32.174 31.823 -0.724 0.000 0.976 370 V HN 1.074 nan 8.190 nan 0.000 0.467 371 G N -0.244 108.221 108.800 -0.559 0.000 2.430 371 G HA2 0.473 4.433 3.960 -0.000 0.000 0.300 371 G HA3 0.473 4.433 3.960 -0.000 0.000 0.300 371 G C -1.862 172.707 174.900 -0.552 0.000 1.330 371 G CA -0.544 43.923 45.100 -1.054 0.000 0.813 371 G HN 0.057 nan 8.290 nan 0.000 0.487 372 K N -0.435 119.644 120.400 -0.535 0.000 2.316 372 K HA 0.750 5.070 4.320 -0.000 0.000 0.251 372 K C -0.802 175.832 176.600 0.057 0.000 0.934 372 K CA -0.788 55.474 56.287 -0.042 0.000 0.802 372 K CB 2.032 34.546 32.500 0.023 0.000 1.171 372 K HN 0.602 nan 8.250 nan 0.000 0.426 373 M N 4.461 124.221 119.600 0.266 0.000 2.393 373 M HA 0.435 4.915 4.480 -0.000 0.000 0.316 373 M C -1.776 174.501 176.300 -0.038 0.000 1.087 373 M CA -0.794 54.604 55.300 0.164 0.000 0.937 373 M CB 1.802 34.551 32.600 0.248 0.000 1.668 373 M HN 0.368 nan 8.290 nan 0.000 0.438 374 V N 5.499 125.234 119.914 -0.297 0.000 2.531 374 V HA 0.437 4.557 4.120 -0.000 0.000 0.301 374 V C -1.021 174.951 176.094 -0.204 0.000 1.034 374 V CA -0.821 61.322 62.300 -0.261 0.000 0.865 374 V CB 1.753 33.326 31.823 -0.416 0.000 0.995 374 V HN 0.669 nan 8.190 nan 0.000 0.424 375 L N 5.901 127.082 121.223 -0.071 0.000 2.255 375 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 375 L C 0.728 177.502 176.870 -0.160 0.000 1.046 375 L CA 0.180 54.980 54.840 -0.066 0.000 0.816 375 L CB 0.898 42.969 42.059 0.021 0.000 1.197 375 L HN 0.874 nan 8.230 nan 0.000 0.427 376 N N 2.061 120.584 118.700 -0.294 0.000 2.194 376 N HA 0.146 4.885 4.740 -0.000 0.000 0.231 376 N C 0.026 175.361 175.510 -0.291 0.000 1.247 376 N CA -0.242 52.394 53.050 -0.691 0.000 0.884 376 N CB 0.720 38.493 38.487 -1.191 0.000 1.146 376 N HN 0.330 nan 8.380 nan 0.000 0.516 377 R N 0.490 120.922 120.500 -0.113 0.000 2.515 377 R HA 0.308 4.648 4.340 -0.000 0.000 0.278 377 R C -1.162 175.097 176.300 -0.069 0.000 1.107 377 R CA -0.531 55.524 56.100 -0.074 0.000 0.945 377 R CB 1.368 31.631 30.300 -0.063 0.000 1.219 377 R HN 0.090 nan 8.270 nan 0.000 0.434 378 N N 3.148 121.688 118.700 -0.267 0.000 2.424 378 N HA 0.272 5.011 4.740 -0.000 0.000 0.257 378 N C -2.227 173.219 175.510 -0.107 0.000 1.250 378 N CA -1.166 51.589 53.050 -0.492 0.000 0.946 378 N CB 0.489 38.045 38.487 -1.551 0.000 1.175 378 N HN 0.283 nan 8.380 nan 0.000 0.477 379 P HA 0.128 nan 4.420 nan 0.000 0.273 379 P C 0.066 177.547 177.300 0.302 0.000 1.250 379 P CA -0.093 63.198 63.100 0.319 0.000 0.793 379 P CB 1.013 32.942 31.700 0.381 0.000 1.011 380 D N -1.168 119.387 120.400 0.259 0.000 2.259 380 D HA -0.009 4.630 4.640 -0.000 0.000 0.216 380 D C 0.400 176.872 176.300 0.287 0.000 0.961 380 D CA 1.291 55.436 54.000 0.242 0.000 0.878 380 D CB 0.243 41.130 40.800 0.144 0.000 1.009 380 D HN 0.381 nan 8.370 nan 0.000 0.490 381 N N -0.202 118.661 118.700 0.272 0.000 2.410 381 N HA 0.013 4.752 4.740 -0.000 0.000 0.287 381 N C -0.015 175.696 175.510 0.336 0.000 1.044 381 N CA -0.354 52.867 53.050 0.286 0.000 0.881 381 N CB 1.647 40.270 38.487 0.227 0.000 1.405 381 N HN -0.170 nan 8.380 nan 0.000 0.490 382 F N 4.201 124.300 119.950 0.248 0.000 2.095 382 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 382 F C 1.698 177.630 175.800 0.220 0.000 1.104 382 F CA 1.478 59.624 58.000 0.244 0.000 1.232 382 F CB -0.114 39.002 39.000 0.194 0.000 0.987 382 F HN 0.611 nan 8.300 nan 0.000 0.475 383 F N 0.805 120.977 119.950 0.370 0.000 2.075 383 F HA -0.159 4.367 4.527 -0.000 0.000 0.297 383 F C 2.342 178.191 175.800 0.081 0.000 1.113 383 F CA 1.839 59.975 58.000 0.226 0.000 1.218 383 F CB -0.922 38.194 39.000 0.194 0.000 0.984 383 F HN -0.003 nan 8.300 nan 0.000 0.472 384 A N -0.396 122.569 122.820 0.241 0.000 1.933 384 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 384 A C 2.063 179.587 177.584 -0.099 0.000 1.175 384 A CA 2.059 54.146 52.037 0.083 0.000 0.628 384 A CB -0.662 18.431 19.000 0.155 0.000 0.814 384 A HN 0.601 nan 8.150 nan 0.000 0.444 385 E N -1.446 118.706 120.200 -0.081 0.000 2.162 385 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 385 E C 1.959 178.460 176.600 -0.165 0.000 0.953 385 E CA 0.439 56.728 56.400 -0.184 0.000 0.849 385 E CB -0.111 29.541 29.700 -0.080 0.000 0.810 385 E HN 0.564 nan 8.360 nan 0.000 0.470 386 N N 1.336 119.936 118.700 -0.167 0.000 2.182 386 N HA -0.156 4.583 4.740 -0.000 0.000 0.186 386 N C 1.820 177.157 175.510 -0.289 0.000 1.036 386 N CA 1.334 54.239 53.050 -0.241 0.000 0.850 386 N CB 0.060 38.049 38.487 -0.830 0.000 1.010 386 N HN -0.073 nan 8.380 nan 0.000 0.432 387 E N 0.864 120.818 120.200 -0.410 0.000 2.118 387 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 387 E C 1.695 178.100 176.600 -0.324 0.000 0.992 387 E CA 1.453 57.681 56.400 -0.286 0.000 0.804 387 E CB -0.173 29.368 29.700 -0.265 0.000 0.741 387 E HN 0.493 nan 8.360 nan 0.000 0.458 388 Q N -0.336 119.208 119.800 -0.427 0.000 2.444 388 Q HA 0.204 4.544 4.340 -0.000 0.000 0.206 388 Q C 0.014 175.889 176.000 -0.209 0.000 0.948 388 Q CA 0.260 55.867 55.803 -0.328 0.000 0.946 388 Q CB 0.352 28.883 28.738 -0.346 0.000 1.027 388 Q HN 0.214 nan 8.270 nan 0.000 0.513 389 A N 1.117 123.831 122.820 -0.176 0.000 2.477 389 A HA 0.470 4.789 4.320 -0.000 0.000 0.246 389 A C -0.178 177.288 177.584 -0.196 0.000 1.078 389 A CA 0.129 52.040 52.037 -0.209 0.000 0.770 389 A CB 0.288 19.237 19.000 -0.085 0.000 1.011 389 A HN 0.258 nan 8.150 nan 0.000 0.494 390 A N 2.520 125.157 122.820 -0.304 0.000 2.340 390 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 390 A C -0.788 176.659 177.584 -0.228 0.000 1.195 390 A CA -0.409 51.521 52.037 -0.178 0.000 0.769 390 A CB 0.241 19.150 19.000 -0.151 0.000 1.163 390 A HN 0.632 nan 8.150 nan 0.000 0.472 391 F N 0.914 120.861 119.950 -0.004 0.000 2.458 391 F HA 0.658 5.184 4.527 -0.001 0.000 0.330 391 F C 0.389 176.139 175.800 -0.083 0.000 1.082 391 F CA -0.068 57.905 58.000 -0.045 0.000 0.995 391 F CB 1.900 40.831 39.000 -0.115 0.000 1.170 391 F HN 0.730 nan 8.300 nan 0.000 0.478 392 H N 3.041 121.957 119.070 -0.255 0.000 3.042 392 H HA 0.281 4.837 4.556 -0.000 0.000 0.345 392 H C -2.397 172.563 175.328 -0.614 0.000 1.052 392 H CA -1.830 53.804 56.048 -0.690 0.000 1.311 392 H CB 2.623 31.848 29.762 -0.896 0.000 1.810 392 H HN 0.172 nan 8.280 nan 0.000 0.505 393 P HA -0.030 nan 4.420 nan 0.000 0.226 393 P C 1.191 178.357 177.300 -0.223 0.000 1.153 393 P CA 1.397 64.214 63.100 -0.472 0.000 0.777 393 P CB 0.133 31.601 31.700 -0.387 0.000 0.794 394 G N -1.078 107.378 108.800 -0.573 0.000 2.598 394 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 394 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 394 G C 0.460 175.548 174.900 0.313 0.000 1.131 394 G CA 0.016 45.121 45.100 0.008 0.000 0.785 394 G HN 0.430 nan 8.290 nan 0.000 0.539 395 H N 0.769 119.950 119.070 0.185 0.000 3.216 395 H HA 0.330 4.885 4.556 -0.000 0.000 0.263 395 H C 0.547 175.972 175.328 0.162 0.000 1.601 395 H CA -0.785 55.342 56.048 0.132 0.000 1.509 395 H CB -0.124 29.681 29.762 0.072 0.000 1.759 395 H HN 0.380 nan 8.280 nan 0.000 0.533 396 I N -0.325 120.364 120.570 0.199 0.000 3.076 396 I HA 0.660 4.830 4.170 -0.000 0.000 0.313 396 I C -0.095 176.001 176.117 -0.034 0.000 1.053 396 I CA -1.360 59.970 61.300 0.050 0.000 1.048 396 I CB 1.806 39.720 38.000 -0.144 0.000 1.264 396 I HN 0.108 nan 8.210 nan 0.000 0.498 397 V N -1.585 118.289 119.914 -0.066 0.000 3.102 397 V HA 0.674 4.794 4.120 -0.000 0.000 0.312 397 V C -2.804 173.377 176.094 0.145 0.000 1.135 397 V CA -2.601 59.721 62.300 0.036 0.000 1.022 397 V CB 0.973 32.797 31.823 0.001 0.000 1.056 397 V HN 0.645 nan 8.190 nan 0.000 0.436 398 P HA 0.340 nan 4.420 nan 0.000 0.261 398 P C 0.885 178.184 177.300 -0.001 0.000 1.183 398 P CA 1.904 65.075 63.100 0.118 0.000 0.761 398 P CB 0.497 32.243 31.700 0.078 0.000 0.785 399 G N 1.864 110.618 108.800 -0.077 0.000 2.231 399 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.206 399 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.206 399 G C -0.313 174.501 174.900 -0.143 0.000 0.996 399 G CA -0.454 44.581 45.100 -0.108 0.000 0.645 399 G HN 0.454 nan 8.290 nan 0.000 0.498 400 L N 0.100 121.247 121.223 -0.126 0.000 2.333 400 L HA 0.915 5.255 4.340 -0.000 0.000 0.263 400 L C -0.753 176.053 176.870 -0.106 0.000 1.014 400 L CA -1.064 53.679 54.840 -0.162 0.000 0.820 400 L CB 2.219 44.110 42.059 -0.281 0.000 1.352 400 L HN 0.079 nan 8.230 nan 0.000 0.421 401 D N -0.512 119.812 120.400 -0.127 0.000 2.639 401 D HA 0.464 5.104 4.640 -0.000 0.000 0.271 401 D C -1.206 175.040 176.300 -0.090 0.000 1.254 401 D CA -0.346 53.552 54.000 -0.169 0.000 0.810 401 D CB 1.957 42.730 40.800 -0.047 0.000 1.351 401 D HN 0.120 nan 8.370 nan 0.000 0.427 402 F N -0.174 119.910 119.950 0.224 0.000 2.291 402 F HA 0.516 5.043 4.527 -0.000 0.000 0.305 402 F C 1.519 177.352 175.800 0.055 0.000 1.171 402 F CA -0.235 57.836 58.000 0.119 0.000 1.090 402 F CB 1.081 40.119 39.000 0.063 0.000 1.436 402 F HN 0.201 nan 8.300 nan 0.000 0.509 403 T N -3.192 111.468 114.554 0.178 0.000 2.831 403 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 403 T C -0.108 174.626 174.700 0.056 0.000 1.070 403 T CA -1.019 61.156 62.100 0.125 0.000 1.010 403 T CB 1.230 70.144 68.868 0.076 0.000 1.264 403 T HN 0.350 nan 8.240 nan 0.000 0.532 404 N N 1.268 120.005 118.700 0.061 0.000 2.434 404 N HA 0.062 4.802 4.740 -0.000 0.000 0.196 404 N C -0.005 175.509 175.510 0.006 0.000 1.183 404 N CA 0.051 53.118 53.050 0.029 0.000 0.849 404 N CB -0.400 38.121 38.487 0.057 0.000 0.992 404 N HN 0.688 nan 8.380 nan 0.000 0.460 405 D N 2.153 122.539 120.400 -0.023 0.000 2.581 405 D HA -0.066 4.573 4.640 -0.000 0.000 0.238 405 D C -1.349 174.933 176.300 -0.029 0.000 1.145 405 D CA -1.015 52.992 54.000 0.011 0.000 0.866 405 D CB 1.339 42.093 40.800 -0.076 0.000 1.151 405 D HN 0.135 nan 8.370 nan 0.000 0.500 406 P HA -0.106 nan 4.420 nan 0.000 0.229 406 P C 1.509 178.814 177.300 0.009 0.000 1.160 406 P CA 0.211 63.318 63.100 0.011 0.000 0.777 406 P CB 0.400 32.101 31.700 0.002 0.000 0.814 407 L N -0.483 120.762 121.223 0.038 0.000 2.102 407 L HA 0.037 4.376 4.340 -0.000 0.000 0.202 407 L C 2.369 179.157 176.870 -0.137 0.000 1.076 407 L CA 1.178 56.041 54.840 0.038 0.000 0.761 407 L CB -1.513 40.656 42.059 0.184 0.000 0.921 407 L HN -0.180 nan 8.230 nan 0.000 0.444 408 L N -0.514 120.459 121.223 -0.417 0.000 2.017 408 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 408 L C 2.457 179.073 176.870 -0.423 0.000 1.073 408 L CA 1.774 56.157 54.840 -0.762 0.000 0.745 408 L CB -0.903 40.447 42.059 -1.181 0.000 0.894 408 L HN 0.362 nan 8.230 nan 0.000 0.432 409 Q N -0.115 119.506 119.800 -0.298 0.000 2.077 409 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 409 Q C 2.096 178.010 176.000 -0.145 0.000 0.989 409 Q CA 1.904 57.576 55.803 -0.219 0.000 0.853 409 Q CB -0.880 27.779 28.738 -0.131 0.000 0.907 409 Q HN 0.711 nan 8.270 nan 0.000 0.418 410 G N 0.393 109.139 108.800 -0.090 0.000 2.448 410 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 410 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 410 G C 1.511 176.425 174.900 0.023 0.000 1.135 410 G CA 0.143 45.236 45.100 -0.012 0.000 0.784 410 G HN 0.243 nan 8.290 nan 0.000 0.543 411 R N -0.108 120.354 120.500 -0.063 0.000 2.105 411 R HA 0.034 4.374 4.340 -0.000 0.000 0.239 411 R C 2.480 178.813 176.300 0.056 0.000 1.135 411 R CA 0.807 56.919 56.100 0.020 0.000 0.967 411 R CB -0.440 29.828 30.300 -0.054 0.000 0.861 411 R HN 0.347 nan 8.270 nan 0.000 0.442 412 L N -0.450 120.708 121.223 -0.108 0.000 2.127 412 L HA -0.204 4.135 4.340 -0.000 0.000 0.211 412 L C 2.263 179.246 176.870 0.188 0.000 1.089 412 L CA 1.171 55.949 54.840 -0.103 0.000 0.757 412 L CB -0.449 41.437 42.059 -0.288 0.000 0.899 412 L HN 0.163 nan 8.230 nan 0.000 0.434 413 F N -0.037 119.941 119.950 0.047 0.000 2.187 413 F HA -0.129 4.398 4.527 -0.000 0.000 0.295 413 F C 2.761 178.626 175.800 0.109 0.000 1.091 413 F CA 1.384 59.424 58.000 0.067 0.000 1.308 413 F CB -0.246 38.767 39.000 0.022 0.000 1.030 413 F HN -0.080 nan 8.300 nan 0.000 0.487 414 S N -0.469 115.312 115.700 0.134 0.000 2.356 414 S HA -0.237 4.233 4.470 -0.000 0.000 0.223 414 S C 2.077 176.619 174.600 -0.097 0.000 1.032 414 S CA 1.817 59.992 58.200 -0.042 0.000 1.005 414 S CB -0.772 62.415 63.200 -0.021 0.000 0.867 414 S HN 0.578 nan 8.310 nan 0.000 0.449 415 Y N 1.248 121.561 120.300 0.022 0.000 2.242 415 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 415 Y C 2.978 178.660 175.900 -0.363 0.000 1.137 415 Y CA 1.081 59.167 58.100 -0.024 0.000 1.181 415 Y CB -0.974 37.722 38.460 0.393 0.000 0.989 415 Y HN 0.231 nan 8.280 nan 0.000 0.527 416 T N -0.250 114.064 114.554 -0.400 0.000 2.708 416 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 416 T C 1.391 175.907 174.700 -0.306 0.000 1.037 416 T CA 1.814 63.674 62.100 -0.399 0.000 1.146 416 T CB -0.505 68.172 68.868 -0.317 0.000 0.865 416 T HN 0.359 nan 8.240 nan 0.000 0.435 417 D N 0.434 120.605 120.400 -0.382 0.000 2.092 417 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 417 D C 2.320 178.481 176.300 -0.232 0.000 0.994 417 D CA 1.611 55.396 54.000 -0.359 0.000 0.828 417 D CB -0.511 39.916 40.800 -0.622 0.000 0.963 417 D HN 0.244 nan 8.370 nan 0.000 0.450 418 T N -1.064 113.356 114.554 -0.223 0.000 2.833 418 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 418 T C 1.831 176.420 174.700 -0.186 0.000 1.054 418 T CA 1.387 63.388 62.100 -0.166 0.000 1.135 418 T CB -0.196 68.576 68.868 -0.160 0.000 0.869 418 T HN 0.191 nan 8.240 nan 0.000 0.466 419 Q N -0.067 119.559 119.800 -0.289 0.000 2.224 419 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 419 Q C 2.164 178.004 176.000 -0.267 0.000 0.970 419 Q CA 0.912 56.466 55.803 -0.416 0.000 0.865 419 Q CB -0.060 28.126 28.738 -0.921 0.000 0.922 419 Q HN 0.459 nan 8.270 nan 0.000 0.445 420 I N 0.350 120.835 120.570 -0.142 0.000 2.208 420 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 420 I C 2.322 178.437 176.117 -0.003 0.000 1.097 420 I CA 1.820 63.119 61.300 -0.003 0.000 1.363 420 I CB -1.473 36.532 38.000 0.008 0.000 1.051 420 I HN 0.247 nan 8.210 nan 0.000 0.413 421 S N 0.366 116.046 115.700 -0.032 0.000 2.427 421 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 421 S C 2.165 176.756 174.600 -0.015 0.000 1.047 421 S CA 0.197 58.391 58.200 -0.010 0.000 0.953 421 S CB -0.362 62.834 63.200 -0.008 0.000 0.824 421 S HN 0.313 nan 8.310 nan 0.000 0.502 422 R N 1.004 121.477 120.500 -0.045 0.000 2.091 422 R HA 0.123 4.462 4.340 -0.000 0.000 0.238 422 R C 1.319 177.601 176.300 -0.029 0.000 1.136 422 R CA 1.509 57.585 56.100 -0.040 0.000 0.959 422 R CB -0.305 29.953 30.300 -0.070 0.000 0.856 422 R HN 0.458 nan 8.270 nan 0.000 0.437 423 L N -0.372 120.826 121.223 -0.043 0.000 2.818 423 L HA 0.322 4.662 4.340 -0.000 0.000 0.243 423 L C 0.741 177.638 176.870 0.046 0.000 1.185 423 L CA 0.228 55.065 54.840 -0.005 0.000 0.988 423 L CB 1.005 43.057 42.059 -0.012 0.000 1.292 423 L HN 0.577 nan 8.230 nan 0.000 0.519 424 G N 0.083 108.908 108.800 0.041 0.000 2.153 424 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.252 424 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.252 424 G C 0.457 175.403 174.900 0.077 0.000 0.994 424 G CA 0.146 45.278 45.100 0.053 0.000 0.698 424 G HN 0.793 nan 8.290 nan 0.000 0.521 425 G N -1.815 107.051 108.800 0.111 0.000 2.356 425 G HA2 0.590 4.549 3.960 -0.000 0.000 0.288 425 G HA3 0.590 4.549 3.960 -0.000 0.000 0.288 425 G C -2.152 172.876 174.900 0.213 0.000 1.302 425 G CA 0.339 45.514 45.100 0.125 0.000 0.887 425 G HN 0.448 nan 8.290 nan 0.000 0.521 426 P HA 0.141 nan 4.420 nan 0.000 0.255 426 P C 0.252 177.535 177.300 -0.028 0.000 1.248 426 P CA 0.364 63.547 63.100 0.138 0.000 0.807 426 P CB 0.246 31.999 31.700 0.087 0.000 1.150 427 N N 0.437 119.118 118.700 -0.032 0.000 2.376 427 N HA 0.080 4.819 4.740 -0.000 0.000 0.249 427 N C 0.922 176.232 175.510 -0.334 0.000 1.140 427 N CA -0.242 52.671 53.050 -0.227 0.000 0.870 427 N CB -0.523 37.889 38.487 -0.125 0.000 1.124 427 N HN 0.233 nan 8.380 nan 0.000 0.505 428 F N 0.669 120.589 119.950 -0.049 0.000 2.451 428 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 428 F C 2.178 177.912 175.800 -0.110 0.000 1.101 428 F CA 0.722 58.673 58.000 -0.080 0.000 1.436 428 F CB -0.729 38.244 39.000 -0.044 0.000 1.074 428 F HN 0.174 nan 8.300 nan 0.000 0.553 429 H N 0.368 119.035 119.070 -0.670 0.000 2.546 429 H HA 0.077 4.633 4.556 -0.000 0.000 0.277 429 H C 0.796 175.974 175.328 -0.250 0.000 1.004 429 H CA 1.298 57.093 56.048 -0.422 0.000 1.231 429 H CB -0.698 28.691 29.762 -0.622 0.000 1.382 429 H HN 0.528 nan 8.280 nan 0.000 0.580 430 E N 0.921 120.710 120.200 -0.684 0.000 2.474 430 E HA 0.183 4.533 4.350 -0.000 0.000 0.194 430 E C 0.317 176.806 176.600 -0.185 0.000 1.041 430 E CA -0.284 55.879 56.400 -0.396 0.000 0.874 430 E CB 0.553 30.027 29.700 -0.376 0.000 0.914 430 E HN 0.417 nan 8.360 nan 0.000 0.498 431 I N 2.786 123.264 120.570 -0.153 0.000 2.598 431 I HA -0.048 4.121 4.170 -0.000 0.000 0.284 431 I C -1.533 174.526 176.117 -0.097 0.000 1.140 431 I CA -1.502 59.739 61.300 -0.099 0.000 1.420 431 I CB 0.587 38.542 38.000 -0.076 0.000 1.387 431 I HN -0.181 nan 8.210 nan 0.000 0.553 432 P HA -0.265 nan 4.420 nan 0.000 0.217 432 P C 1.725 178.954 177.300 -0.120 0.000 1.162 432 P CA 1.393 64.438 63.100 -0.091 0.000 0.901 432 P CB 0.155 31.809 31.700 -0.077 0.000 0.793 433 I N -0.864 119.607 120.570 -0.166 0.000 2.361 433 I HA -0.192 3.977 4.170 -0.000 0.000 0.251 433 I C 1.352 177.390 176.117 -0.132 0.000 1.133 433 I CA 1.703 62.854 61.300 -0.247 0.000 1.413 433 I CB -0.636 37.102 38.000 -0.437 0.000 1.073 433 I HN -0.108 nan 8.210 nan 0.000 0.424 434 N N 0.642 119.283 118.700 -0.098 0.000 2.422 434 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 434 N C 0.277 175.796 175.510 0.015 0.000 1.080 434 N CA 0.221 53.244 53.050 -0.045 0.000 0.893 434 N CB -0.101 38.377 38.487 -0.015 0.000 0.973 434 N HN 0.375 nan 8.380 nan 0.000 0.456 435 R N 1.625 122.130 120.500 0.008 0.000 2.537 435 R HA 0.167 4.507 4.340 -0.000 0.000 0.280 435 R C -2.207 174.148 176.300 0.092 0.000 1.058 435 R CA -1.226 54.882 56.100 0.013 0.000 1.057 435 R CB -0.074 30.218 30.300 -0.013 0.000 0.973 435 R HN 0.027 nan 8.270 nan 0.000 0.438 436 P HA -0.013 nan 4.420 nan 0.000 0.269 436 P C 0.526 177.886 177.300 0.099 0.000 1.215 436 P CA 0.015 63.182 63.100 0.112 0.000 0.780 436 P CB 0.667 32.394 31.700 0.044 0.000 0.898 437 T N -2.837 111.788 114.554 0.118 0.000 3.044 437 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 437 T C 0.889 175.627 174.700 0.063 0.000 1.081 437 T CA 0.016 62.147 62.100 0.051 0.000 1.040 437 T CB -0.962 67.920 68.868 0.024 0.000 0.962 437 T HN 0.583 nan 8.240 nan 0.000 0.506 438 C N 1.357 120.709 119.300 0.087 0.000 2.347 438 C HA 0.795 5.254 4.460 -0.000 0.000 0.366 438 C C -2.435 172.606 174.990 0.086 0.000 1.241 438 C CA -2.536 56.532 59.018 0.083 0.000 2.360 438 C CB 0.207 28.002 27.740 0.091 0.000 2.290 438 C HN 0.173 nan 8.230 nan 0.000 0.587 439 P HA 0.276 nan 4.420 nan 0.000 0.269 439 P C -1.219 176.142 177.300 0.101 0.000 1.209 439 P CA 0.486 63.644 63.100 0.096 0.000 0.776 439 P CB -0.052 31.756 31.700 0.180 0.000 0.876 440 Y N 0.709 120.883 120.300 -0.210 0.000 2.361 440 Y HA 0.622 5.172 4.550 -0.000 0.000 0.328 440 Y C -1.521 174.069 175.900 -0.517 0.000 1.044 440 Y CA -0.892 57.073 58.100 -0.225 0.000 1.085 440 Y CB 1.270 39.623 38.460 -0.177 0.000 1.194 440 Y HN 0.427 nan 8.280 nan 0.000 0.438 441 H N 4.103 123.086 119.070 -0.145 0.000 2.856 441 H HA 0.553 5.109 4.556 -0.000 0.000 0.355 441 H C -1.137 174.070 175.328 -0.202 0.000 1.079 441 H CA -0.737 55.142 56.048 -0.281 0.000 1.240 441 H CB 1.658 31.289 29.762 -0.219 0.000 1.701 441 H HN 0.890 nan 8.280 nan 0.000 0.527 442 N N 0.501 119.085 118.700 -0.193 0.000 3.378 442 N HA 0.167 4.907 4.740 -0.000 0.000 0.294 442 N C -1.196 174.066 175.510 -0.414 0.000 1.544 442 N CA -0.934 51.958 53.050 -0.263 0.000 0.872 442 N CB 0.602 39.089 38.487 -0.000 0.000 1.670 442 N HN 0.300 nan 8.380 nan 0.000 0.551 443 F N -0.339 119.650 119.950 0.066 0.000 2.641 443 F HA 0.356 4.882 4.527 -0.000 0.000 0.302 443 F C 0.491 176.331 175.800 0.066 0.000 1.098 443 F CA -0.348 57.686 58.000 0.056 0.000 1.318 443 F CB 0.184 39.214 39.000 0.050 0.000 1.035 443 F HN 0.144 nan 8.300 nan 0.000 0.551 444 Q N 1.505 121.407 119.800 0.171 0.000 2.352 444 Q HA 0.403 4.743 4.340 -0.000 0.000 0.260 444 Q C 0.049 176.121 176.000 0.120 0.000 0.976 444 Q CA -0.008 55.877 55.803 0.136 0.000 0.881 444 Q CB 0.995 29.792 28.738 0.098 0.000 1.235 444 Q HN 0.098 nan 8.270 nan 0.000 0.419 445 R N 1.523 122.088 120.500 0.108 0.000 2.817 445 R HA 0.368 4.708 4.340 -0.000 0.000 0.268 445 R C -0.744 175.600 176.300 0.074 0.000 1.027 445 R CA -0.691 55.463 56.100 0.089 0.000 0.928 445 R CB 1.109 31.464 30.300 0.092 0.000 1.228 445 R HN 0.718 nan 8.270 nan 0.000 0.469 446 D N -0.302 120.133 120.400 0.058 0.000 3.439 446 D HA -0.128 4.512 4.640 -0.000 0.000 0.238 446 D C 0.306 176.634 176.300 0.046 0.000 1.727 446 D CA 1.995 56.022 54.000 0.044 0.000 1.145 446 D CB -0.995 39.832 40.800 0.044 0.000 0.764 446 D HN 0.909 nan 8.370 nan 0.000 0.938 447 G N -1.567 107.259 108.800 0.043 0.000 2.692 447 G HA2 0.236 4.195 3.960 -0.000 0.000 0.686 447 G HA3 0.236 4.195 3.960 -0.000 0.000 0.686 447 G C -0.278 174.649 174.900 0.045 0.000 1.243 447 G CA -0.017 45.111 45.100 0.048 0.000 0.782 447 G HN 0.776 nan 8.290 nan 0.000 0.625 448 M N 1.111 120.745 119.600 0.056 0.000 2.250 448 M HA 0.430 4.910 4.480 -0.000 0.000 0.337 448 M C 1.142 177.510 176.300 0.113 0.000 1.161 448 M CA 1.291 56.633 55.300 0.070 0.000 1.088 448 M CB -0.538 32.108 32.600 0.078 0.000 1.639 448 M HN 1.538 nan 8.290 nan 0.000 0.447 449 H N 0.702 119.773 119.070 0.002 0.000 2.604 449 H HA -0.189 4.366 4.556 -0.000 0.000 0.321 449 H C -0.713 174.601 175.328 -0.024 0.000 1.132 449 H CA 0.793 56.836 56.048 -0.007 0.000 1.129 449 H CB -0.669 29.091 29.762 -0.003 0.000 1.526 449 H HN 0.587 nan 8.280 nan 0.000 0.415 450 R N 1.405 121.894 120.500 -0.019 0.000 2.370 450 R HA 0.082 4.422 4.340 -0.000 0.000 0.309 450 R C 0.918 177.194 176.300 -0.040 0.000 1.059 450 R CA -0.028 56.064 56.100 -0.013 0.000 0.981 450 R CB 0.279 30.575 30.300 -0.007 0.000 0.972 450 R HN 0.376 nan 8.270 nan 0.000 0.437 451 M N 2.518 122.112 119.600 -0.009 0.000 2.412 451 M HA 0.218 4.697 4.480 -0.000 0.000 0.263 451 M C 0.955 177.244 176.300 -0.018 0.000 1.122 451 M CA 1.004 56.298 55.300 -0.010 0.000 1.179 451 M CB -0.853 31.754 32.600 0.011 0.000 1.335 451 M HN 0.705 nan 8.290 nan 0.000 0.465 452 G N 1.934 110.728 108.800 -0.009 0.000 2.340 452 G HA2 0.358 4.318 3.960 -0.000 0.000 0.245 452 G HA3 0.358 4.318 3.960 -0.000 0.000 0.245 452 G C -0.368 174.521 174.900 -0.019 0.000 1.294 452 G CA -0.331 44.758 45.100 -0.017 0.000 0.896 452 G HN 0.330 nan 8.290 nan 0.000 0.522 453 I N 2.913 123.466 120.570 -0.028 0.000 2.307 453 I HA 0.101 4.270 4.170 -0.000 0.000 0.287 453 I C -0.244 175.859 176.117 -0.023 0.000 1.054 453 I CA -0.534 60.753 61.300 -0.021 0.000 1.218 453 I CB 0.914 38.902 38.000 -0.020 0.000 1.398 453 I HN 0.367 nan 8.210 nan 0.000 0.475 454 D N 4.741 125.132 120.400 -0.015 0.000 2.351 454 D HA 0.061 4.701 4.640 -0.000 0.000 0.251 454 D C 1.199 177.498 176.300 -0.002 0.000 1.137 454 D CA 0.263 54.254 54.000 -0.015 0.000 0.879 454 D CB 1.806 42.605 40.800 -0.002 0.000 1.181 454 D HN 0.561 nan 8.370 nan 0.000 0.448 455 T N -0.838 113.711 114.554 -0.008 0.000 3.040 455 T HA -0.058 4.291 4.350 -0.000 0.000 0.250 455 T C 0.859 175.565 174.700 0.010 0.000 1.058 455 T CA -0.514 61.586 62.100 -0.001 0.000 0.988 455 T CB 0.193 69.055 68.868 -0.012 0.000 0.993 455 T HN 0.123 nan 8.240 nan 0.000 0.519 456 N N 3.362 122.069 118.700 0.013 0.000 2.412 456 N HA 0.086 4.825 4.740 -0.000 0.000 0.258 456 N C -1.645 173.900 175.510 0.058 0.000 1.236 456 N CA -1.492 51.579 53.050 0.036 0.000 0.882 456 N CB 1.417 39.929 38.487 0.042 0.000 1.066 456 N HN 0.051 nan 8.380 nan 0.000 0.465 457 P HA -0.031 nan 4.420 nan 0.000 0.218 457 P C -0.561 176.793 177.300 0.089 0.000 1.148 457 P CA 1.041 64.181 63.100 0.067 0.000 0.822 457 P CB 0.192 31.927 31.700 0.058 0.000 0.784 458 A N 0.508 123.369 122.820 0.068 0.000 2.312 458 A HA 0.426 4.746 4.320 -0.000 0.000 0.326 458 A C 0.416 178.089 177.584 0.148 0.000 1.172 458 A CA -0.664 51.366 52.037 -0.011 0.000 0.821 458 A CB 0.098 18.919 19.000 -0.298 0.000 1.166 458 A HN 0.275 nan 8.150 nan 0.000 0.493 459 N N 0.134 118.955 118.700 0.201 0.000 2.351 459 N HA 0.366 5.105 4.740 -0.000 0.000 0.254 459 N C -0.876 174.790 175.510 0.260 0.000 1.241 459 N CA -0.343 52.909 53.050 0.338 0.000 0.883 459 N CB 0.333 38.977 38.487 0.263 0.000 1.202 459 N HN 0.694 nan 8.380 nan 0.000 0.512 460 Y N -1.058 119.116 120.300 -0.209 0.000 2.609 460 Y HA 0.656 5.206 4.550 -0.000 0.000 0.336 460 Y C -1.620 173.705 175.900 -0.959 0.000 1.129 460 Y CA -1.382 56.414 58.100 -0.508 0.000 1.040 460 Y CB 1.025 39.352 38.460 -0.221 0.000 1.310 460 Y HN 0.065 nan 8.280 nan 0.000 0.460 461 E N 0.983 120.739 120.200 -0.741 0.000 2.331 461 E HA 0.648 4.998 4.350 -0.000 0.000 0.275 461 E C -3.200 173.302 176.600 -0.164 0.000 0.895 461 E CA -1.975 54.085 56.400 -0.567 0.000 0.753 461 E CB 1.804 31.120 29.700 -0.640 0.000 1.216 461 E HN 0.566 nan 8.360 nan 0.000 0.434 462 P HA 0.304 nan 4.420 nan 0.000 0.275 462 P C -1.271 175.996 177.300 -0.055 0.000 1.228 462 P CA -0.460 62.581 63.100 -0.099 0.000 0.786 462 P CB 0.548 32.222 31.700 -0.045 0.000 0.927 463 N N -1.441 117.154 118.700 -0.175 0.000 2.284 463 N HA 0.370 5.110 4.740 -0.000 0.000 0.289 463 N C 0.231 175.700 175.510 -0.070 0.000 1.179 463 N CA -0.763 52.192 53.050 -0.158 0.000 0.774 463 N CB 1.432 39.546 38.487 -0.621 0.000 1.548 463 N HN 0.190 nan 8.380 nan 0.000 0.473 464 S N 0.368 116.072 115.700 0.006 0.000 2.506 464 S HA 0.016 4.485 4.470 -0.000 0.000 0.219 464 S C 1.525 176.139 174.600 0.023 0.000 1.031 464 S CA -0.043 58.163 58.200 0.009 0.000 0.911 464 S CB -0.769 62.447 63.200 0.026 0.000 0.812 464 S HN 0.708 nan 8.310 nan 0.000 0.497 465 I N -0.642 119.948 120.570 0.032 0.000 2.830 465 I HA 0.221 4.391 4.170 -0.000 0.000 0.263 465 I C 1.274 177.420 176.117 0.048 0.000 1.230 465 I CA 1.267 62.596 61.300 0.048 0.000 1.480 465 I CB -0.359 37.688 38.000 0.077 0.000 1.095 465 I HN 0.191 nan 8.210 nan 0.000 0.455 466 N N 1.113 119.839 118.700 0.043 0.000 2.291 466 N HA 0.040 4.779 4.740 -0.000 0.000 0.244 466 N C -0.075 175.546 175.510 0.184 0.000 1.216 466 N CA -0.041 53.076 53.050 0.110 0.000 0.879 466 N CB 0.021 38.584 38.487 0.126 0.000 1.167 466 N HN 0.215 nan 8.380 nan 0.000 0.515 467 D N 0.742 121.202 120.400 0.099 0.000 2.751 467 D HA -0.261 4.379 4.640 -0.000 0.000 0.233 467 D C -0.136 176.077 176.300 -0.144 0.000 1.149 467 D CA 1.119 55.149 54.000 0.050 0.000 0.682 467 D CB -1.407 39.502 40.800 0.183 0.000 1.068 467 D HN 0.493 nan 8.370 nan 0.000 0.429 468 N N -1.644 116.987 118.700 -0.115 0.000 2.782 468 N HA -0.244 4.496 4.740 -0.000 0.000 0.251 468 N C -0.880 174.534 175.510 -0.161 0.000 1.101 468 N CA 1.421 54.365 53.050 -0.176 0.000 0.764 468 N CB -1.292 37.048 38.487 -0.244 0.000 1.122 468 N HN 0.541 nan 8.380 nan 0.000 0.561 469 W N 0.823 122.171 121.300 0.080 0.000 2.381 469 W HA 0.468 5.128 4.660 -0.000 0.000 0.329 469 W C -1.670 174.894 176.519 0.075 0.000 1.157 469 W CA -1.711 55.667 57.345 0.056 0.000 1.240 469 W CB 0.661 30.105 29.460 -0.027 0.000 1.199 469 W HN -0.039 nan 8.180 nan 0.000 0.579 470 P HA 0.176 nan 4.420 nan 0.000 0.275 470 P C -0.680 176.753 177.300 0.222 0.000 1.228 470 P CA -0.039 63.204 63.100 0.237 0.000 0.786 470 P CB 0.985 32.675 31.700 -0.017 0.000 0.927 471 R N 1.112 121.721 120.500 0.181 0.000 2.720 471 R HA 0.352 4.692 4.340 -0.000 0.000 0.272 471 R C 0.339 176.668 176.300 0.048 0.000 0.991 471 R CA -0.871 55.214 56.100 -0.025 0.000 1.010 471 R CB 1.091 31.159 30.300 -0.387 0.000 1.141 471 R HN 0.480 nan 8.270 nan 0.000 0.494 472 E N 0.601 120.816 120.200 0.025 0.000 2.418 472 E HA 0.053 4.403 4.350 -0.000 0.000 0.261 472 E C -0.581 176.040 176.600 0.034 0.000 1.070 472 E CA 0.596 57.024 56.400 0.046 0.000 0.931 472 E CB 0.721 30.441 29.700 0.033 0.000 0.954 472 E HN 0.345 nan 8.360 nan 0.000 0.439 473 T N 3.477 118.063 114.554 0.054 0.000 2.881 473 T HA 0.323 4.673 4.350 -0.000 0.000 0.291 473 T C -2.453 172.272 174.700 0.041 0.000 0.990 473 T CA -1.548 60.582 62.100 0.050 0.000 0.976 473 T CB 1.427 70.337 68.868 0.070 0.000 0.970 473 T HN 0.248 nan 8.240 nan 0.000 0.438 474 P HA 0.230 nan 4.420 nan 0.000 0.268 474 P C -2.526 174.782 177.300 0.014 0.000 1.208 474 P CA -1.199 61.910 63.100 0.015 0.000 0.777 474 P CB -0.442 31.262 31.700 0.006 0.000 0.875 475 P HA 0.327 nan 4.420 nan 0.000 0.272 475 P C 0.023 177.314 177.300 -0.016 0.000 1.223 475 P CA 0.342 63.430 63.100 -0.020 0.000 0.784 475 P CB 0.610 32.279 31.700 -0.051 0.000 0.923 476 G N 1.044 109.833 108.800 -0.018 0.000 2.495 476 G HA2 0.394 4.354 3.960 -0.000 0.000 0.294 476 G HA3 0.394 4.354 3.960 -0.000 0.000 0.294 476 G C -2.617 172.274 174.900 -0.016 0.000 1.397 476 G CA -0.785 44.307 45.100 -0.013 0.000 0.790 476 G HN 0.092 nan 8.290 nan 0.000 0.486 477 P HA 0.074 nan 4.420 nan 0.000 0.218 477 P C 0.142 177.438 177.300 -0.007 0.000 1.149 477 P CA 1.257 64.349 63.100 -0.013 0.000 0.817 477 P CB 0.140 31.834 31.700 -0.010 0.000 0.785 478 K N -1.918 118.485 120.400 0.004 0.000 2.523 478 K HA 0.340 4.659 4.320 -0.000 0.000 0.257 478 K C -0.384 176.232 176.600 0.026 0.000 0.932 478 K CA -0.836 55.460 56.287 0.015 0.000 0.812 478 K CB 1.730 34.240 32.500 0.017 0.000 1.326 478 K HN -0.308 nan 8.250 nan 0.000 0.433 479 R N -0.271 120.252 120.500 0.038 0.000 3.627 479 R HA -0.141 4.199 4.340 -0.000 0.000 0.281 479 R C 0.185 176.514 176.300 0.049 0.000 1.140 479 R CA 1.267 57.396 56.100 0.049 0.000 0.761 479 R CB -2.277 28.052 30.300 0.048 0.000 1.181 479 R HN 1.022 nan 8.270 nan 0.000 0.472 480 G N -1.026 107.799 108.800 0.042 0.000 2.511 480 G HA2 0.637 4.597 3.960 -0.000 0.000 0.316 480 G HA3 0.637 4.597 3.960 -0.000 0.000 0.316 480 G C 0.290 175.225 174.900 0.058 0.000 1.210 480 G CA 0.046 45.169 45.100 0.039 0.000 0.969 480 G HN 0.253 nan 8.290 nan 0.000 0.492 481 G N -1.379 107.457 108.800 0.059 0.000 2.539 481 G HA2 0.417 4.377 3.960 -0.000 0.000 0.258 481 G HA3 0.417 4.377 3.960 -0.000 0.000 0.258 481 G C -0.715 174.247 174.900 0.102 0.000 1.202 481 G CA -0.546 44.612 45.100 0.096 0.000 0.851 481 G HN 0.457 nan 8.290 nan 0.000 0.556 482 F N 0.350 120.316 119.950 0.026 0.000 2.456 482 F HA 0.412 4.939 4.527 -0.000 0.000 0.358 482 F C 0.510 176.325 175.800 0.025 0.000 1.095 482 F CA -0.220 57.791 58.000 0.019 0.000 1.216 482 F CB 0.925 39.938 39.000 0.023 0.000 1.125 482 F HN 0.443 nan 8.300 nan 0.000 0.549 483 E N 3.895 123.748 120.200 -0.578 0.000 2.256 483 E HA 0.325 4.675 4.350 -0.000 0.000 0.268 483 E C -1.189 175.080 176.600 -0.552 0.000 0.877 483 E CA -0.789 55.419 56.400 -0.320 0.000 0.757 483 E CB 1.624 31.218 29.700 -0.177 0.000 1.183 483 E HN 0.633 nan 8.360 nan 0.000 0.418 484 S N 2.323 117.928 115.700 -0.159 0.000 2.580 484 S HA 0.046 4.516 4.470 -0.000 0.000 0.274 484 S C -0.640 173.942 174.600 -0.029 0.000 1.329 484 S CA -0.400 57.781 58.200 -0.032 0.000 1.036 484 S CB 0.223 63.538 63.200 0.193 0.000 0.919 484 S HN 0.474 nan 8.310 nan 0.000 0.515 485 Y N 2.442 122.678 120.300 -0.106 0.000 2.620 485 Y HA 0.003 4.552 4.550 -0.000 0.000 0.330 485 Y C 0.808 176.688 175.900 -0.034 0.000 1.186 485 Y CA 0.074 58.122 58.100 -0.087 0.000 1.467 485 Y CB 0.165 38.571 38.460 -0.090 0.000 1.262 485 Y HN 0.574 nan 8.280 nan 0.000 0.550 486 Q N 5.384 124.817 119.800 -0.611 0.000 3.159 486 Q HA 0.004 4.344 4.340 -0.000 0.000 0.280 486 Q C -0.225 175.475 176.000 -0.500 0.000 1.403 486 Q CA 0.007 55.556 55.803 -0.424 0.000 0.957 486 Q CB -0.222 28.337 28.738 -0.297 0.000 1.729 486 Q HN 0.648 nan 8.270 nan 0.000 0.551 487 E N 1.672 121.673 120.200 -0.331 0.000 2.392 487 E HA 0.009 4.359 4.350 -0.000 0.000 0.264 487 E C -0.108 176.463 176.600 -0.048 0.000 1.024 487 E CA -0.575 55.761 56.400 -0.106 0.000 0.903 487 E CB 0.645 30.418 29.700 0.121 0.000 0.963 487 E HN 0.163 nan 8.360 nan 0.000 0.432 488 R N 3.145 123.640 120.500 -0.009 0.000 2.401 488 R HA 0.182 4.522 4.340 -0.000 0.000 0.299 488 R C -1.604 174.720 176.300 0.039 0.000 1.064 488 R CA -0.165 55.941 56.100 0.009 0.000 1.000 488 R CB 0.705 31.019 30.300 0.024 0.000 0.973 488 R HN 0.249 nan 8.270 nan 0.000 0.438 489 V N 4.926 124.856 119.914 0.026 0.000 2.495 489 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 489 V C -0.462 175.645 176.094 0.022 0.000 1.031 489 V CA -0.617 61.701 62.300 0.031 0.000 0.871 489 V CB 1.439 33.277 31.823 0.025 0.000 0.988 489 V HN 0.898 nan 8.190 nan 0.000 0.432 490 E N 2.810 123.024 120.200 0.023 0.000 2.343 490 E HA 0.627 4.977 4.350 -0.000 0.000 0.288 490 E C -0.520 176.085 176.600 0.009 0.000 0.907 490 E CA -0.084 56.324 56.400 0.013 0.000 0.792 490 E CB 1.996 31.704 29.700 0.013 0.000 1.275 490 E HN 1.022 nan 8.360 nan 0.000 0.402 491 G N 2.680 111.481 108.800 0.001 0.000 2.337 491 G HA2 0.069 4.029 3.960 -0.000 0.000 0.298 491 G HA3 0.069 4.029 3.960 -0.000 0.000 0.298 491 G C -1.476 173.418 174.900 -0.010 0.000 1.335 491 G CA -0.987 44.109 45.100 -0.006 0.000 0.875 491 G HN 0.416 nan 8.290 nan 0.000 0.579 492 N N 0.128 118.820 118.700 -0.015 0.000 2.463 492 N HA 0.359 5.099 4.740 -0.000 0.000 0.270 492 N C -0.150 175.347 175.510 -0.021 0.000 1.205 492 N CA -0.246 52.794 53.050 -0.017 0.000 0.974 492 N CB 0.895 39.371 38.487 -0.018 0.000 1.197 492 N HN 0.483 nan 8.380 nan 0.000 0.504 493 K N 0.914 121.301 120.400 -0.021 0.000 2.336 493 K HA 0.215 4.535 4.320 -0.000 0.000 0.290 493 K C -0.388 176.192 176.600 -0.034 0.000 1.067 493 K CA -0.242 56.029 56.287 -0.027 0.000 0.962 493 K CB -0.043 32.443 32.500 -0.024 0.000 1.008 493 K HN 0.355 nan 8.250 nan 0.000 0.467 494 V N 0.214 120.103 119.914 -0.042 0.000 2.962 494 V HA 0.499 4.619 4.120 -0.000 0.000 0.313 494 V C -0.494 175.560 176.094 -0.066 0.000 1.099 494 V CA -1.340 60.930 62.300 -0.050 0.000 0.971 494 V CB 2.051 33.845 31.823 -0.048 0.000 1.028 494 V HN 0.616 nan 8.190 nan 0.000 0.430 495 R N 2.236 122.693 120.500 -0.073 0.000 2.471 495 R HA 0.589 4.929 4.340 -0.000 0.000 0.292 495 R C -0.518 175.731 176.300 -0.086 0.000 1.192 495 R CA -0.141 55.901 56.100 -0.096 0.000 1.257 495 R CB 0.813 31.044 30.300 -0.116 0.000 1.130 495 R HN 0.948 nan 8.270 nan 0.000 0.558 496 E N 1.801 121.948 120.200 -0.089 0.000 2.343 496 E HA 0.272 4.621 4.350 -0.000 0.000 0.278 496 E C -1.274 175.256 176.600 -0.117 0.000 0.910 496 E CA -1.036 55.314 56.400 -0.084 0.000 0.757 496 E CB 1.689 31.347 29.700 -0.070 0.000 1.218 496 E HN 0.107 nan 8.360 nan 0.000 0.435 497 R N 1.579 122.013 120.500 -0.110 0.000 2.390 497 R HA 0.261 4.600 4.340 -0.000 0.000 0.291 497 R C -0.611 175.570 176.300 -0.199 0.000 1.070 497 R CA -0.014 55.981 56.100 -0.175 0.000 1.014 497 R CB 1.336 31.589 30.300 -0.079 0.000 1.007 497 R HN 0.400 nan 8.270 nan 0.000 0.466 498 S N 4.506 119.977 115.700 -0.381 0.000 2.549 498 S HA 0.153 4.622 4.470 -0.000 0.000 0.283 498 S C -1.584 172.987 174.600 -0.049 0.000 1.320 498 S CA -1.285 56.783 58.200 -0.220 0.000 1.058 498 S CB 0.733 63.755 63.200 -0.298 0.000 0.882 498 S HN 0.548 nan 8.310 nan 0.000 0.498 499 P HA -0.098 nan 4.420 nan 0.000 0.219 499 P C 1.459 178.809 177.300 0.084 0.000 1.146 499 P CA 1.139 64.260 63.100 0.036 0.000 0.808 499 P CB -0.114 31.596 31.700 0.016 0.000 0.779 500 S N -2.140 113.649 115.700 0.149 0.000 2.507 500 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 500 S C 1.373 176.139 174.600 0.276 0.000 0.988 500 S CA 0.796 59.116 58.200 0.200 0.000 0.944 500 S CB -1.309 62.039 63.200 0.247 0.000 0.762 500 S HN -0.023 nan 8.310 nan 0.000 0.526 501 F N 2.022 121.960 119.950 -0.019 0.000 2.776 501 F HA 0.413 4.939 4.527 -0.000 0.000 0.300 501 F C 1.894 177.623 175.800 -0.118 0.000 1.116 501 F CA -0.923 57.060 58.000 -0.029 0.000 1.375 501 F CB -0.476 38.538 39.000 0.023 0.000 1.109 501 F HN 0.340 nan 8.300 nan 0.000 0.585 502 G N 0.639 109.434 108.800 -0.008 0.000 3.581 502 G HA2 0.119 4.079 3.960 -0.000 0.000 0.255 502 G HA3 0.119 4.079 3.960 -0.000 0.000 0.255 502 G C -0.106 174.392 174.900 -0.669 0.000 1.121 502 G CA 0.130 45.042 45.100 -0.313 0.000 1.739 502 G HN 0.023 nan 8.290 nan 0.000 0.646 503 E N 0.379 120.099 120.200 -0.800 0.000 2.281 503 E HA 0.286 4.636 4.350 -0.000 0.000 0.266 503 E C -0.885 175.327 176.600 -0.646 0.000 0.893 503 E CA -0.734 55.298 56.400 -0.612 0.000 0.798 503 E CB 1.382 30.949 29.700 -0.221 0.000 1.245 503 E HN 0.253 nan 8.360 nan 0.000 0.410 504 Y N 2.662 122.772 120.300 -0.316 0.000 2.453 504 Y HA 0.199 4.748 4.550 -0.000 0.000 0.247 504 Y C 0.689 176.314 175.900 -0.458 0.000 1.124 504 Y CA -0.092 57.721 58.100 -0.479 0.000 1.243 504 Y CB 0.422 38.420 38.460 -0.770 0.000 1.213 504 Y HN 0.424 nan 8.280 nan 0.000 0.523 505 Y N -1.462 118.920 120.300 0.138 0.000 2.444 505 Y HA 0.105 4.655 4.550 -0.001 0.000 0.252 505 Y C 2.348 178.301 175.900 0.088 0.000 1.091 505 Y CA 0.074 58.245 58.100 0.119 0.000 1.276 505 Y CB -0.232 38.305 38.460 0.127 0.000 1.170 505 Y HN 0.060 nan 8.280 nan 0.000 0.517 506 S N -0.847 114.978 115.700 0.208 0.000 2.383 506 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 506 S C 1.436 176.092 174.600 0.094 0.000 1.026 506 S CA 1.557 59.854 58.200 0.162 0.000 0.981 506 S CB -0.523 62.778 63.200 0.169 0.000 0.818 506 S HN 0.428 nan 8.310 nan 0.000 0.472 507 H N 2.865 121.841 119.070 -0.157 0.000 2.363 507 H HA 0.184 4.740 4.556 -0.000 0.000 0.301 507 H C -0.674 174.421 175.328 -0.388 0.000 1.074 507 H CA 1.366 57.166 56.048 -0.413 0.000 1.354 507 H CB -1.648 27.669 29.762 -0.740 0.000 1.397 507 H HN 0.388 nan 8.280 nan 0.000 0.516 508 P HA -0.166 nan 4.420 nan 0.000 0.216 508 P C 1.448 178.914 177.300 0.276 0.000 1.153 508 P CA 1.660 64.876 63.100 0.193 0.000 0.858 508 P CB 0.101 31.954 31.700 0.255 0.000 0.789 509 R N -0.496 120.121 120.500 0.194 0.000 2.073 509 R HA -0.094 4.246 4.340 -0.000 0.000 0.229 509 R C 2.153 178.569 176.300 0.192 0.000 1.120 509 R CA 0.941 57.164 56.100 0.205 0.000 0.967 509 R CB -1.002 29.383 30.300 0.142 0.000 0.862 509 R HN 0.057 nan 8.270 nan 0.000 0.436 510 L N 0.494 121.774 121.223 0.095 0.000 2.012 510 L HA -0.141 4.198 4.340 -0.000 0.000 0.210 510 L C 1.979 178.903 176.870 0.090 0.000 1.073 510 L CA 1.757 56.620 54.840 0.039 0.000 0.748 510 L CB -0.724 41.284 42.059 -0.085 0.000 0.891 510 L HN 0.229 nan 8.230 nan 0.000 0.431 511 F N -0.766 119.205 119.950 0.033 0.000 2.069 511 F HA -0.299 4.228 4.527 -0.001 0.000 0.298 511 F C 2.342 178.140 175.800 -0.003 0.000 1.113 511 F CA 2.251 60.254 58.000 0.005 0.000 1.214 511 F CB -0.633 38.397 39.000 0.049 0.000 0.978 511 F HN 0.384 nan 8.300 nan 0.000 0.474 512 W N 1.358 122.644 121.300 -0.023 0.000 2.335 512 W HA -0.246 4.414 4.660 -0.001 0.000 0.311 512 W C 1.748 178.145 176.519 -0.202 0.000 1.213 512 W CA 1.798 59.073 57.345 -0.117 0.000 1.274 512 W CB -0.689 28.789 29.460 0.031 0.000 1.148 512 W HN 0.093 nan 8.180 nan 0.000 0.498 513 L N 1.034 122.181 121.223 -0.127 0.000 2.376 513 L HA -0.147 4.193 4.340 -0.000 0.000 0.219 513 L C 2.349 179.036 176.870 -0.304 0.000 1.133 513 L CA 1.014 55.719 54.840 -0.225 0.000 0.816 513 L CB -0.670 41.376 42.059 -0.022 0.000 0.933 513 L HN -0.148 nan 8.230 nan 0.000 0.449 514 S N -1.445 114.054 115.700 -0.334 0.000 2.528 514 S HA 0.040 4.510 4.470 -0.000 0.000 0.219 514 S C 0.739 175.064 174.600 -0.458 0.000 0.985 514 S CA 0.131 58.133 58.200 -0.331 0.000 0.914 514 S CB 0.019 63.059 63.200 -0.266 0.000 0.776 514 S HN 0.302 nan 8.310 nan 0.000 0.526 515 Q N 2.322 121.740 119.800 -0.636 0.000 2.299 515 Q HA 0.263 4.603 4.340 -0.000 0.000 0.246 515 Q C 0.617 176.229 176.000 -0.646 0.000 0.935 515 Q CA -0.073 55.310 55.803 -0.701 0.000 0.887 515 Q CB 0.424 28.660 28.738 -0.837 0.000 1.223 515 Q HN 0.432 nan 8.270 nan 0.000 0.439 516 T N -1.476 112.661 114.554 -0.694 0.000 2.748 516 T HA 0.137 4.487 4.350 -0.000 0.000 0.304 516 T C -1.711 172.552 174.700 -0.728 0.000 1.041 516 T CA -1.288 60.383 62.100 -0.716 0.000 1.033 516 T CB 0.259 68.475 68.868 -1.087 0.000 0.995 516 T HN 0.233 nan 8.240 nan 0.000 0.536 517 P HA -0.049 nan 4.420 nan 0.000 0.215 517 P C 1.431 178.532 177.300 -0.332 0.000 1.153 517 P CA 1.150 64.044 63.100 -0.343 0.000 0.853 517 P CB -0.264 31.348 31.700 -0.148 0.000 0.788 518 F N -0.128 119.622 119.950 -0.333 0.000 2.259 518 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 518 F C 1.849 177.283 175.800 -0.610 0.000 1.088 518 F CA 0.830 58.564 58.000 -0.444 0.000 1.358 518 F CB -1.549 37.176 39.000 -0.459 0.000 1.040 518 F HN -0.107 nan 8.300 nan 0.000 0.505 519 E N 0.586 120.182 120.200 -1.006 0.000 2.077 519 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 519 E C 2.223 178.607 176.600 -0.360 0.000 0.989 519 E CA 1.463 57.498 56.400 -0.609 0.000 0.800 519 E CB -0.271 29.018 29.700 -0.685 0.000 0.746 519 E HN 0.630 nan 8.360 nan 0.000 0.452 520 Q N 0.230 119.738 119.800 -0.485 0.000 2.084 520 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 520 Q C 2.246 178.255 176.000 0.015 0.000 0.978 520 Q CA 1.268 56.817 55.803 -0.424 0.000 0.844 520 Q CB -0.142 28.108 28.738 -0.814 0.000 0.898 520 Q HN 0.012 nan 8.270 nan 0.000 0.426 521 R N 0.451 120.931 120.500 -0.034 0.000 2.091 521 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 521 R C 1.657 178.115 176.300 0.263 0.000 1.136 521 R CA 1.912 58.082 56.100 0.117 0.000 0.959 521 R CB -0.422 29.918 30.300 0.067 0.000 0.856 521 R HN 0.469 nan 8.270 nan 0.000 0.437 522 H N -0.785 118.372 119.070 0.147 0.000 2.423 522 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 522 H C 2.026 177.468 175.328 0.190 0.000 1.075 522 H CA 1.190 57.340 56.048 0.170 0.000 1.342 522 H CB 0.000 29.868 29.762 0.176 0.000 1.395 522 H HN 0.193 nan 8.280 nan 0.000 0.530 523 I N 0.161 120.945 120.570 0.357 0.000 2.179 523 I HA -0.256 3.913 4.170 -0.000 0.000 0.242 523 I C 2.314 178.723 176.117 0.487 0.000 1.088 523 I CA 0.780 62.336 61.300 0.427 0.000 1.357 523 I CB -0.161 38.194 38.000 0.592 0.000 1.051 523 I HN 0.082 nan 8.210 nan 0.000 0.409 524 V N 0.965 121.146 119.914 0.445 0.000 2.287 524 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 524 V C 2.053 178.313 176.094 0.277 0.000 1.053 524 V CA 2.165 64.669 62.300 0.340 0.000 1.027 524 V CB -0.675 31.309 31.823 0.267 0.000 0.646 524 V HN 0.426 nan 8.190 nan 0.000 0.447 525 D N 0.328 120.876 120.400 0.246 0.000 2.178 525 D HA -0.097 4.542 4.640 -0.000 0.000 0.201 525 D C 2.148 178.514 176.300 0.109 0.000 0.980 525 D CA 1.505 55.614 54.000 0.182 0.000 0.842 525 D CB -0.573 40.341 40.800 0.190 0.000 0.948 525 D HN 0.489 nan 8.370 nan 0.000 0.472 526 G N 0.142 108.996 108.800 0.090 0.000 2.433 526 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 526 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 526 G C 1.462 176.356 174.900 -0.010 0.000 1.186 526 G CA 0.186 45.249 45.100 -0.062 0.000 0.779 526 G HN 0.163 nan 8.290 nan 0.000 0.543 527 F N 1.846 121.830 119.950 0.056 0.000 2.126 527 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 527 F C 3.188 178.900 175.800 -0.146 0.000 1.096 527 F CA 1.652 59.622 58.000 -0.051 0.000 1.255 527 F CB -0.391 38.593 39.000 -0.027 0.000 0.997 527 F HN 0.085 nan 8.300 nan 0.000 0.479 528 S N -0.093 115.692 115.700 0.142 0.000 2.356 528 S HA -0.227 4.242 4.470 -0.000 0.000 0.223 528 S C 1.875 176.482 174.600 0.011 0.000 1.032 528 S CA 1.422 59.653 58.200 0.051 0.000 1.005 528 S CB -0.829 62.424 63.200 0.088 0.000 0.867 528 S HN 0.418 nan 8.310 nan 0.000 0.449 529 F N 2.521 122.413 119.950 -0.097 0.000 2.102 529 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 529 F C 2.343 178.064 175.800 -0.133 0.000 1.105 529 F CA 1.475 59.405 58.000 -0.117 0.000 1.239 529 F CB -0.295 38.565 39.000 -0.233 0.000 0.991 529 F HN 0.125 nan 8.300 nan 0.000 0.474 530 E N 0.182 120.321 120.200 -0.103 0.000 2.051 530 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 530 E C 2.158 178.524 176.600 -0.390 0.000 0.991 530 E CA 1.179 57.479 56.400 -0.166 0.000 0.799 530 E CB -0.483 29.275 29.700 0.096 0.000 0.748 530 E HN 0.319 nan 8.360 nan 0.000 0.449 531 L N 1.153 122.072 121.223 -0.506 0.000 2.275 531 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 531 L C 2.237 178.929 176.870 -0.296 0.000 1.119 531 L CA 1.334 55.877 54.840 -0.496 0.000 0.790 531 L CB -0.828 40.969 42.059 -0.436 0.000 0.919 531 L HN -0.034 nan 8.230 nan 0.000 0.443 532 S N -0.812 114.725 115.700 -0.270 0.000 2.447 532 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 532 S C 1.617 176.090 174.600 -0.211 0.000 1.006 532 S CA 0.722 58.793 58.200 -0.214 0.000 0.957 532 S CB -0.025 63.052 63.200 -0.204 0.000 0.773 532 S HN 0.331 nan 8.310 nan 0.000 0.507 533 K N 1.227 121.472 120.400 -0.258 0.000 2.404 533 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 533 K C -0.046 176.534 176.600 -0.033 0.000 1.023 533 K CA 0.039 56.237 56.287 -0.149 0.000 1.094 533 K CB -0.017 32.378 32.500 -0.175 0.000 0.841 533 K HN 0.194 nan 8.250 nan 0.000 0.523 534 V N 2.143 122.017 119.914 -0.068 0.000 2.455 534 V HA 0.006 4.125 4.120 -0.000 0.000 0.273 534 V C 1.707 177.782 176.094 -0.033 0.000 1.045 534 V CA -0.081 62.208 62.300 -0.018 0.000 0.976 534 V CB 1.373 33.149 31.823 -0.079 0.000 0.993 534 V HN -0.122 nan 8.190 nan 0.000 0.475 535 V N 5.201 125.119 119.914 0.007 0.000 2.548 535 V HA -0.032 4.087 4.120 -0.000 0.000 0.249 535 V C 1.270 177.349 176.094 -0.025 0.000 1.055 535 V CA 1.245 63.547 62.300 0.003 0.000 1.065 535 V CB -0.498 31.346 31.823 0.035 0.000 0.681 535 V HN 0.757 nan 8.190 nan 0.000 0.462 536 R N 0.953 121.412 120.500 -0.068 0.000 2.210 536 R HA 0.214 4.553 4.340 -0.000 0.000 0.338 536 R C -1.747 174.434 176.300 -0.199 0.000 1.062 536 R CA -1.558 54.478 56.100 -0.107 0.000 0.902 536 R CB 0.644 30.827 30.300 -0.196 0.000 1.050 536 R HN 0.220 nan 8.270 nan 0.000 0.461 537 P HA -0.208 nan 4.420 nan 0.000 0.218 537 P C 0.767 178.034 177.300 -0.054 0.000 1.148 537 P CA 1.197 64.266 63.100 -0.052 0.000 0.822 537 P CB -0.032 31.674 31.700 0.010 0.000 0.784 538 Y N -1.302 118.997 120.300 -0.002 0.000 2.274 538 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 538 Y C 2.004 177.909 175.900 0.007 0.000 1.145 538 Y CA 0.723 58.823 58.100 0.000 0.000 1.203 538 Y CB -1.801 36.660 38.460 0.002 0.000 0.984 538 Y HN -0.124 nan 8.280 nan 0.000 0.533 539 I N 0.875 121.022 120.570 -0.704 0.000 2.226 539 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 539 I C 2.543 178.572 176.117 -0.148 0.000 1.100 539 I CA 1.400 62.465 61.300 -0.392 0.000 1.374 539 I CB -0.398 37.352 38.000 -0.417 0.000 1.057 539 I HN 0.209 nan 8.210 nan 0.000 0.413 540 R N 0.845 121.249 120.500 -0.161 0.000 2.091 540 R HA -0.191 4.148 4.340 -0.000 0.000 0.238 540 R C 2.145 178.399 176.300 -0.077 0.000 1.136 540 R CA 1.584 57.605 56.100 -0.132 0.000 0.959 540 R CB -0.438 29.781 30.300 -0.134 0.000 0.856 540 R HN 0.457 nan 8.270 nan 0.000 0.437 541 E N 0.433 120.610 120.200 -0.039 0.000 2.085 541 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 541 E C 2.133 178.740 176.600 0.013 0.000 0.994 541 E CA 1.130 57.527 56.400 -0.005 0.000 0.801 541 E CB -0.058 29.661 29.700 0.033 0.000 0.743 541 E HN 0.283 nan 8.360 nan 0.000 0.453 542 R N 0.286 120.809 120.500 0.038 0.000 2.115 542 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 542 R C 2.370 178.698 176.300 0.045 0.000 1.111 542 R CA 0.925 57.059 56.100 0.057 0.000 0.976 542 R CB -0.158 30.196 30.300 0.091 0.000 0.870 542 R HN 0.062 nan 8.270 nan 0.000 0.445 543 V N 0.282 120.218 119.914 0.036 0.000 2.379 543 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 543 V C 2.275 178.358 176.094 -0.018 0.000 1.044 543 V CA 1.353 63.688 62.300 0.059 0.000 1.036 543 V CB -0.201 31.679 31.823 0.095 0.000 0.664 543 V HN 0.106 nan 8.190 nan 0.000 0.453 544 V N 0.630 120.508 119.914 -0.060 0.000 2.392 544 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 544 V C 2.313 178.371 176.094 -0.060 0.000 1.059 544 V CA 2.502 64.743 62.300 -0.098 0.000 1.051 544 V CB -0.686 31.082 31.823 -0.092 0.000 0.658 544 V HN 0.662 nan 8.190 nan 0.000 0.455 545 D N -0.803 119.594 120.400 -0.005 0.000 2.123 545 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 545 D C 2.270 178.652 176.300 0.136 0.000 0.992 545 D CA 1.184 55.214 54.000 0.050 0.000 0.833 545 D CB -0.023 40.823 40.800 0.076 0.000 0.954 545 D HN 0.322 nan 8.370 nan 0.000 0.455 546 Q N -0.154 119.697 119.800 0.085 0.000 2.084 546 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 546 Q C 2.577 178.616 176.000 0.064 0.000 0.978 546 Q CA 0.669 56.528 55.803 0.093 0.000 0.844 546 Q CB -0.351 28.454 28.738 0.112 0.000 0.898 546 Q HN 0.458 nan 8.270 nan 0.000 0.426 547 L N 0.122 121.317 121.223 -0.047 0.000 2.083 547 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 547 L C 2.349 179.116 176.870 -0.172 0.000 1.083 547 L CA 1.020 55.755 54.840 -0.175 0.000 0.752 547 L CB -0.693 41.156 42.059 -0.350 0.000 0.899 547 L HN 0.104 nan 8.230 nan 0.000 0.433 548 A N -0.695 122.048 122.820 -0.128 0.000 2.070 548 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 548 A C 1.739 179.167 177.584 -0.260 0.000 1.159 548 A CA 1.333 53.258 52.037 -0.187 0.000 0.656 548 A CB -0.723 18.169 19.000 -0.180 0.000 0.800 548 A HN 0.461 nan 8.150 nan 0.000 0.453 549 H N -1.209 117.659 119.070 -0.336 0.000 2.551 549 H HA 0.265 4.821 4.556 -0.000 0.000 0.266 549 H C 1.580 176.650 175.328 -0.430 0.000 0.977 549 H CA 0.905 56.634 56.048 -0.532 0.000 1.163 549 H CB 0.056 29.105 29.762 -1.189 0.000 1.381 549 H HN 0.503 nan 8.280 nan 0.000 0.581 550 I N -1.089 119.396 120.570 -0.141 0.000 2.681 550 I HA 0.076 4.246 4.170 -0.000 0.000 0.247 550 I C -0.090 175.960 176.117 -0.112 0.000 1.091 550 I CA 0.489 61.765 61.300 -0.040 0.000 1.442 550 I CB 0.610 38.611 38.000 0.001 0.000 1.219 550 I HN 0.100 nan 8.210 nan 0.000 0.451 551 D N -0.309 119.954 120.400 -0.230 0.000 2.931 551 D HA 0.145 4.785 4.640 -0.000 0.000 0.215 551 D C 0.292 176.430 176.300 -0.270 0.000 1.297 551 D CA -0.402 53.443 54.000 -0.259 0.000 0.892 551 D CB 1.523 42.055 40.800 -0.446 0.000 1.642 551 D HN -0.071 nan 8.370 nan 0.000 0.560 552 L N 3.184 124.305 121.223 -0.171 0.000 2.093 552 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 552 L C 1.259 178.048 176.870 -0.135 0.000 1.085 552 L CA 2.007 56.759 54.840 -0.147 0.000 0.755 552 L CB -0.901 41.097 42.059 -0.102 0.000 0.904 552 L HN 0.603 nan 8.230 nan 0.000 0.435 553 T N 0.971 115.467 114.554 -0.097 0.000 2.746 553 T HA -0.194 4.155 4.350 -0.000 0.000 0.267 553 T C 1.879 176.511 174.700 -0.113 0.000 1.039 553 T CA 1.624 63.705 62.100 -0.032 0.000 1.142 553 T CB -0.335 68.596 68.868 0.104 0.000 0.866 553 T HN 0.337 nan 8.240 nan 0.000 0.444 554 L N 1.696 122.699 121.223 -0.367 0.000 2.017 554 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 554 L C 2.601 179.247 176.870 -0.374 0.000 1.073 554 L CA 2.083 56.560 54.840 -0.605 0.000 0.745 554 L CB -1.126 40.134 42.059 -1.332 0.000 0.894 554 L HN 0.201 nan 8.230 nan 0.000 0.432 555 A N -1.003 121.612 122.820 -0.341 0.000 1.902 555 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 555 A C 2.224 179.707 177.584 -0.168 0.000 1.181 555 A CA 1.918 53.801 52.037 -0.256 0.000 0.623 555 A CB -0.661 18.207 19.000 -0.219 0.000 0.818 555 A HN 0.701 nan 8.150 nan 0.000 0.443 556 Q N -0.827 118.896 119.800 -0.128 0.000 2.079 556 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 556 Q C 2.440 178.408 176.000 -0.054 0.000 0.974 556 Q CA 1.277 57.034 55.803 -0.077 0.000 0.840 556 Q CB -0.361 28.345 28.738 -0.053 0.000 0.898 556 Q HN 0.689 nan 8.270 nan 0.000 0.430 557 A N 0.305 123.098 122.820 -0.045 0.000 1.933 557 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 557 A C 2.290 179.868 177.584 -0.009 0.000 1.175 557 A CA 1.271 53.307 52.037 -0.001 0.000 0.628 557 A CB -0.530 18.499 19.000 0.048 0.000 0.814 557 A HN 0.207 nan 8.150 nan 0.000 0.444 558 V N -0.266 119.613 119.914 -0.058 0.000 2.379 558 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 558 V C 3.035 179.094 176.094 -0.058 0.000 1.044 558 V CA 1.676 63.942 62.300 -0.057 0.000 1.036 558 V CB -1.219 30.521 31.823 -0.138 0.000 0.664 558 V HN 0.596 nan 8.190 nan 0.000 0.453 559 A N -0.013 122.763 122.820 -0.075 0.000 1.908 559 A HA -0.296 4.023 4.320 -0.000 0.000 0.218 559 A C 2.353 179.916 177.584 -0.035 0.000 1.181 559 A CA 2.332 54.333 52.037 -0.060 0.000 0.627 559 A CB -0.515 18.447 19.000 -0.063 0.000 0.818 559 A HN 0.517 nan 8.150 nan 0.000 0.445 560 K N -0.570 119.817 120.400 -0.023 0.000 2.097 560 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 560 K C 1.328 177.930 176.600 0.003 0.000 1.050 560 K CA 1.412 57.695 56.287 -0.006 0.000 0.938 560 K CB -0.180 32.322 32.500 0.004 0.000 0.718 560 K HN 0.406 nan 8.250 nan 0.000 0.442 561 N N 0.712 119.416 118.700 0.007 0.000 2.459 561 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 561 N C 1.231 176.741 175.510 0.000 0.000 1.046 561 N CA 0.769 53.830 53.050 0.018 0.000 0.904 561 N CB 0.144 38.653 38.487 0.037 0.000 0.964 561 N HN 0.259 nan 8.380 nan 0.000 0.444 562 L N -1.018 120.193 121.223 -0.019 0.000 2.640 562 L HA 0.271 4.610 4.340 -0.000 0.000 0.230 562 L C 0.950 177.805 176.870 -0.025 0.000 1.123 562 L CA -0.056 54.764 54.840 -0.033 0.000 0.900 562 L CB 0.017 42.041 42.059 -0.058 0.000 1.146 562 L HN 0.069 nan 8.230 nan 0.000 0.484 563 G N 1.517 110.308 108.800 -0.015 0.000 2.198 563 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 563 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 563 G C 0.070 174.962 174.900 -0.014 0.000 1.025 563 G CA 0.110 45.204 45.100 -0.010 0.000 0.769 563 G HN 0.319 nan 8.290 nan 0.000 0.507 564 I N -0.077 120.480 120.570 -0.022 0.000 2.437 564 I HA 0.439 4.608 4.170 -0.000 0.000 0.298 564 I C 0.281 176.384 176.117 -0.024 0.000 0.984 564 I CA -0.667 60.619 61.300 -0.024 0.000 1.214 564 I CB 1.597 39.577 38.000 -0.034 0.000 1.365 564 I HN 0.063 nan 8.210 nan 0.000 0.469 565 E N 5.844 126.031 120.200 -0.021 0.000 2.145 565 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 565 E C -1.054 175.530 176.600 -0.027 0.000 0.906 565 E CA -0.686 55.700 56.400 -0.022 0.000 0.761 565 E CB 1.956 31.647 29.700 -0.016 0.000 1.116 565 E HN 0.409 nan 8.360 nan 0.000 0.408 566 L N 2.757 123.958 121.223 -0.036 0.000 2.456 566 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 566 L C 1.170 178.018 176.870 -0.037 0.000 1.189 566 L CA -0.017 54.797 54.840 -0.043 0.000 0.846 566 L CB 0.120 42.144 42.059 -0.058 0.000 1.111 566 L HN 0.632 nan 8.230 nan 0.000 0.475 567 T N -2.185 112.347 114.554 -0.037 0.000 2.754 567 T HA 0.082 4.432 4.350 -0.000 0.000 0.286 567 T C 0.615 175.291 174.700 -0.039 0.000 0.997 567 T CA -0.583 61.498 62.100 -0.032 0.000 0.982 567 T CB 0.965 69.817 68.868 -0.026 0.000 1.027 567 T HN 0.590 nan 8.240 nan 0.000 0.529 568 D N -0.135 120.245 120.400 -0.033 0.000 2.183 568 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 568 D C 1.472 177.745 176.300 -0.045 0.000 0.969 568 D CA 0.828 54.806 54.000 -0.036 0.000 0.842 568 D CB -0.002 40.782 40.800 -0.027 0.000 0.957 568 D HN 0.543 nan 8.370 nan 0.000 0.484 569 D N 0.140 120.514 120.400 -0.044 0.000 2.117 569 D HA -0.126 4.513 4.640 -0.000 0.000 0.198 569 D C 1.977 178.225 176.300 -0.087 0.000 0.982 569 D CA 0.818 54.785 54.000 -0.055 0.000 0.828 569 D CB -0.187 40.589 40.800 -0.040 0.000 0.967 569 D HN 0.315 nan 8.370 nan 0.000 0.464 570 Q N -0.342 119.405 119.800 -0.088 0.000 2.084 570 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 570 Q C 1.896 177.815 176.000 -0.135 0.000 0.978 570 Q CA 0.544 56.270 55.803 -0.127 0.000 0.844 570 Q CB -0.010 28.670 28.738 -0.097 0.000 0.898 570 Q HN 0.162 nan 8.270 nan 0.000 0.426 571 L N 0.747 121.913 121.223 -0.096 0.000 2.265 571 L HA -0.135 4.204 4.340 -0.000 0.000 0.215 571 L C 0.856 177.675 176.870 -0.086 0.000 1.117 571 L CA 1.657 56.446 54.840 -0.085 0.000 0.782 571 L CB -0.427 41.596 42.059 -0.060 0.000 0.914 571 L HN 0.221 nan 8.230 nan 0.000 0.441 572 N N -1.480 117.166 118.700 -0.090 0.000 2.230 572 N HA 0.184 4.924 4.740 -0.000 0.000 0.202 572 N C 0.135 175.581 175.510 -0.106 0.000 1.119 572 N CA -0.228 52.774 53.050 -0.081 0.000 0.851 572 N CB 0.486 38.937 38.487 -0.060 0.000 0.990 572 N HN 0.189 nan 8.380 nan 0.000 0.497 573 I N 1.890 122.362 120.570 -0.162 0.000 2.668 573 I HA -0.062 4.107 4.170 -0.000 0.000 0.285 573 I C 0.393 176.418 176.117 -0.153 0.000 1.168 573 I CA 0.286 61.457 61.300 -0.215 0.000 1.424 573 I CB 0.350 38.098 38.000 -0.419 0.000 1.377 573 I HN 0.052 nan 8.210 nan 0.000 0.560 574 T N 8.169 122.661 114.554 -0.104 0.000 2.888 574 T HA 0.145 4.495 4.350 -0.000 0.000 0.301 574 T C -1.966 172.697 174.700 -0.062 0.000 1.001 574 T CA -0.878 61.185 62.100 -0.061 0.000 1.147 574 T CB 0.022 68.875 68.868 -0.026 0.000 0.931 574 T HN 0.422 nan 8.240 nan 0.000 0.541 575 P HA 0.221 nan 4.420 nan 0.000 0.269 575 P C -2.425 174.886 177.300 0.019 0.000 1.215 575 P CA -1.456 61.629 63.100 -0.025 0.000 0.780 575 P CB -0.487 31.207 31.700 -0.009 0.000 0.898 576 P HA 0.225 nan 4.420 nan 0.000 0.272 576 P C -2.379 174.970 177.300 0.082 0.000 1.230 576 P CA -1.286 61.877 63.100 0.103 0.000 0.788 576 P CB -1.059 30.748 31.700 0.177 0.000 0.949 577 P HA 0.092 nan 4.420 nan 0.000 0.272 577 P C -0.400 176.945 177.300 0.074 0.000 1.240 577 P CA 0.009 63.153 63.100 0.073 0.000 0.791 577 P CB 0.108 31.853 31.700 0.075 0.000 0.978 578 D N -0.748 119.689 120.400 0.062 0.000 2.384 578 D HA 0.131 4.770 4.640 -0.000 0.000 0.244 578 D C -0.465 175.876 176.300 0.069 0.000 1.251 578 D CA -0.393 53.639 54.000 0.054 0.000 0.961 578 D CB -0.115 40.712 40.800 0.045 0.000 1.116 578 D HN -0.010 nan 8.370 nan 0.000 0.484 579 V N 1.410 121.352 119.914 0.047 0.000 2.318 579 V HA 0.167 4.286 4.120 -0.000 0.000 0.271 579 V C -0.032 176.147 176.094 0.141 0.000 1.030 579 V CA -0.767 61.585 62.300 0.087 0.000 0.844 579 V CB -0.691 31.088 31.823 -0.073 0.000 1.015 579 V HN 0.709 nan 8.190 nan 0.000 0.460 580 N N 4.337 123.144 118.700 0.178 0.000 2.716 580 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 580 N C 1.164 176.736 175.510 0.105 0.000 1.033 580 N CA 1.066 54.210 53.050 0.157 0.000 0.727 580 N CB -0.868 37.761 38.487 0.237 0.000 0.950 580 N HN 1.302 nan 8.380 nan 0.000 0.541 581 G N -2.060 106.787 108.800 0.078 0.000 2.179 581 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.260 581 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.260 581 G C 0.084 175.012 174.900 0.048 0.000 0.977 581 G CA 0.435 45.568 45.100 0.055 0.000 0.641 581 G HN 0.407 nan 8.290 nan 0.000 0.533 582 L N -0.446 120.807 121.223 0.050 0.000 2.312 582 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 582 L C 1.038 177.919 176.870 0.018 0.000 1.070 582 L CA -0.463 54.397 54.840 0.033 0.000 0.805 582 L CB 1.526 43.604 42.059 0.032 0.000 1.174 582 L HN 0.040 nan 8.230 nan 0.000 0.434 583 K N 2.747 123.153 120.400 0.010 0.000 2.564 583 K HA 0.218 4.538 4.320 -0.000 0.000 0.205 583 K C -0.986 175.605 176.600 -0.014 0.000 1.053 583 K CA -0.242 56.048 56.287 0.005 0.000 1.072 583 K CB 0.515 33.020 32.500 0.009 0.000 0.822 583 K HN 0.548 nan 8.250 nan 0.000 0.497 584 K N -0.542 119.846 120.400 -0.021 0.000 2.927 584 K HA 0.145 4.465 4.320 -0.000 0.000 0.305 584 K C -2.369 174.215 176.600 -0.027 0.000 1.129 584 K CA -0.881 55.379 56.287 -0.045 0.000 0.898 584 K CB 0.869 33.327 32.500 -0.070 0.000 1.401 584 K HN -0.143 nan 8.250 nan 0.000 0.372 585 D N 2.812 123.192 120.400 -0.034 0.000 2.478 585 D HA 0.309 4.948 4.640 -0.000 0.000 0.240 585 D C -2.163 174.126 176.300 -0.019 0.000 1.364 585 D CA -1.964 52.035 54.000 -0.002 0.000 0.987 585 D CB 2.175 42.994 40.800 0.032 0.000 1.328 585 D HN 0.283 nan 8.370 nan 0.000 0.584 586 P HA -0.096 nan 4.420 nan 0.000 0.225 586 P C 1.258 178.557 177.300 -0.002 0.000 1.148 586 P CA 0.782 63.859 63.100 -0.039 0.000 0.779 586 P CB 0.167 31.853 31.700 -0.024 0.000 0.780 587 S N -1.167 114.563 115.700 0.050 0.000 2.507 587 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 587 S C 1.650 176.341 174.600 0.153 0.000 0.988 587 S CA 0.677 58.943 58.200 0.110 0.000 0.944 587 S CB -1.338 61.948 63.200 0.144 0.000 0.762 587 S HN 0.147 nan 8.310 nan 0.000 0.526 588 L N 1.236 122.516 121.223 0.096 0.000 2.509 588 L HA 0.221 4.561 4.340 -0.000 0.000 0.222 588 L C 1.442 178.233 176.870 -0.131 0.000 1.123 588 L CA 0.099 54.999 54.840 0.100 0.000 0.856 588 L CB -0.246 41.861 42.059 0.080 0.000 0.985 588 L HN 0.326 nan 8.230 nan 0.000 0.456 589 S N -0.425 115.172 115.700 -0.173 0.000 2.586 589 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 589 S C 1.056 175.545 174.600 -0.186 0.000 1.281 589 S CA -0.622 57.414 58.200 -0.272 0.000 1.035 589 S CB 1.419 64.456 63.200 -0.272 0.000 0.962 589 S HN 0.161 nan 8.310 nan 0.000 0.512 590 L N 2.952 123.992 121.223 -0.305 0.000 2.109 590 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 590 L C 0.844 177.467 176.870 -0.411 0.000 1.086 590 L CA 1.134 55.706 54.840 -0.447 0.000 0.760 590 L CB -0.255 41.240 42.059 -0.939 0.000 0.910 590 L HN 0.777 nan 8.230 nan 0.000 0.437 591 Y N -2.236 118.068 120.300 0.007 0.000 2.500 591 Y HA 0.348 4.898 4.550 -0.000 0.000 0.246 591 Y C 2.049 177.973 175.900 0.040 0.000 1.146 591 Y CA -0.154 58.003 58.100 0.094 0.000 1.230 591 Y CB -0.505 38.076 38.460 0.200 0.000 1.214 591 Y HN -0.029 nan 8.280 nan 0.000 0.526 592 A N 0.869 123.713 122.820 0.040 0.000 1.892 592 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 592 A C 0.984 178.605 177.584 0.061 0.000 1.188 592 A CA 1.255 53.292 52.037 -0.001 0.000 0.631 592 A CB -0.786 18.163 19.000 -0.084 0.000 0.822 592 A HN 0.314 nan 8.150 nan 0.000 0.447 593 I N 1.312 121.924 120.570 0.070 0.000 2.337 593 I HA 0.231 4.400 4.170 -0.000 0.000 0.285 593 I C -2.453 173.739 176.117 0.124 0.000 1.041 593 I CA -2.167 59.183 61.300 0.084 0.000 1.199 593 I CB 1.243 39.281 38.000 0.063 0.000 1.370 593 I HN 0.031 nan 8.210 nan 0.000 0.470 594 P HA -0.036 nan 4.420 nan 0.000 0.261 594 P C -0.403 176.981 177.300 0.140 0.000 1.173 594 P CA 0.363 63.569 63.100 0.178 0.000 0.760 594 P CB 0.358 32.149 31.700 0.152 0.000 0.783 595 D N 0.762 121.254 120.400 0.153 0.000 2.881 595 D HA 0.127 4.767 4.640 -0.000 0.000 0.325 595 D C 0.355 176.717 176.300 0.103 0.000 1.621 595 D CA -0.496 53.571 54.000 0.111 0.000 0.785 595 D CB -0.530 40.330 40.800 0.101 0.000 1.233 595 D HN 0.308 nan 8.370 nan 0.000 0.447 596 G N 0.155 109.026 108.800 0.117 0.000 2.378 596 G HA2 0.369 4.328 3.960 -0.000 0.000 0.255 596 G HA3 0.369 4.328 3.960 -0.000 0.000 0.255 596 G C -0.680 174.256 174.900 0.060 0.000 1.270 596 G CA -0.153 45.006 45.100 0.098 0.000 0.876 596 G HN 0.159 nan 8.290 nan 0.000 0.521 597 D N 1.274 121.699 120.400 0.042 0.000 2.502 597 D HA 0.243 4.883 4.640 -0.000 0.000 0.249 597 D C 1.133 177.441 176.300 0.013 0.000 1.092 597 D CA -0.694 53.318 54.000 0.020 0.000 0.839 597 D CB 2.087 42.892 40.800 0.008 0.000 1.264 597 D HN 0.233 nan 8.370 nan 0.000 0.511 598 V N 1.708 121.623 119.914 0.001 0.000 3.506 598 V HA 0.248 4.368 4.120 -0.000 0.000 0.263 598 V C 1.011 177.081 176.094 -0.040 0.000 1.203 598 V CA 0.002 62.297 62.300 -0.008 0.000 1.133 598 V CB -0.669 31.146 31.823 -0.014 0.000 0.802 598 V HN 0.388 nan 8.190 nan 0.000 0.459 599 K N 1.321 121.691 120.400 -0.049 0.000 2.447 599 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 599 K C 1.254 177.805 176.600 -0.081 0.000 1.031 599 K CA 1.121 57.356 56.287 -0.087 0.000 1.019 599 K CB 0.156 32.613 32.500 -0.073 0.000 0.918 599 K HN 0.683 nan 8.250 nan 0.000 0.476 600 G N 3.283 111.997 108.800 -0.143 0.000 2.213 600 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.236 600 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.236 600 G C 0.067 174.997 174.900 0.049 0.000 0.991 600 G CA -0.322 44.767 45.100 -0.018 0.000 0.629 600 G HN 0.556 nan 8.290 nan 0.000 0.517 601 R N -0.056 120.444 120.500 -0.001 0.000 2.649 601 R HA 0.662 5.002 4.340 -0.000 0.000 0.270 601 R C 0.148 176.497 176.300 0.082 0.000 1.105 601 R CA -0.103 56.033 56.100 0.060 0.000 1.193 601 R CB 0.707 31.037 30.300 0.048 0.000 1.120 601 R HN 0.363 nan 8.270 nan 0.000 0.561 602 V N 0.614 120.598 119.914 0.117 0.000 2.789 602 V HA 0.397 4.516 4.120 -0.000 0.000 0.311 602 V C -0.324 175.834 176.094 0.106 0.000 1.073 602 V CA -0.910 61.473 62.300 0.139 0.000 0.921 602 V CB 2.370 34.295 31.823 0.171 0.000 1.009 602 V HN 0.367 nan 8.190 nan 0.000 0.426 603 V N 2.587 122.557 119.914 0.095 0.000 2.555 603 V HA 0.799 4.918 4.120 -0.000 0.000 0.302 603 V C 0.371 176.519 176.094 0.090 0.000 1.038 603 V CA -0.607 61.741 62.300 0.079 0.000 0.887 603 V CB 1.913 33.767 31.823 0.052 0.000 0.991 603 V HN 1.052 nan 8.190 nan 0.000 0.434 604 A N 5.798 128.676 122.820 0.097 0.000 2.301 604 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 604 A C -0.503 177.089 177.584 0.014 0.000 1.185 604 A CA -0.289 51.793 52.037 0.075 0.000 0.830 604 A CB 0.097 19.172 19.000 0.125 0.000 1.112 604 A HN 0.772 nan 8.150 nan 0.000 0.508 605 I N 3.429 124.003 120.570 0.008 0.000 2.382 605 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 605 I C -1.006 175.119 176.117 0.014 0.000 1.007 605 I CA -0.700 60.607 61.300 0.012 0.000 1.142 605 I CB 1.475 39.496 38.000 0.035 0.000 1.289 605 I HN 0.357 nan 8.210 nan 0.000 0.453 606 L N 7.545 128.764 121.223 -0.006 0.000 2.325 606 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 606 L C 0.171 177.144 176.870 0.172 0.000 1.089 606 L CA 0.222 55.120 54.840 0.097 0.000 0.836 606 L CB 0.147 42.130 42.059 -0.127 0.000 1.184 606 L HN 0.425 nan 8.230 nan 0.000 0.444 607 L N 3.579 124.956 121.223 0.257 0.000 2.456 607 L HA 0.392 4.732 4.340 -0.000 0.000 0.257 607 L C 0.293 177.362 176.870 0.331 0.000 1.162 607 L CA -0.579 54.373 54.840 0.186 0.000 0.808 607 L CB 0.976 43.055 42.059 0.034 0.000 1.136 607 L HN 0.756 nan 8.230 nan 0.000 0.466 608 N N -2.138 116.652 118.700 0.149 0.000 2.761 608 N HA 0.232 4.971 4.740 -0.000 0.000 0.283 608 N C -0.312 175.175 175.510 -0.038 0.000 1.377 608 N CA -0.729 52.453 53.050 0.220 0.000 0.791 608 N CB 0.671 39.272 38.487 0.191 0.000 1.540 608 N HN 0.530 nan 8.380 nan 0.000 0.539 609 D N -2.050 118.367 120.400 0.027 0.000 2.363 609 D HA -0.049 4.590 4.640 -0.000 0.000 0.220 609 D C -0.054 176.208 176.300 -0.063 0.000 0.994 609 D CA 0.766 54.716 54.000 -0.084 0.000 0.890 609 D CB -0.040 40.781 40.800 0.036 0.000 0.906 609 D HN 0.717 nan 8.370 nan 0.000 0.530 610 E N 0.466 120.649 120.200 -0.029 0.000 4.090 610 E HA 0.215 4.565 4.350 -0.000 0.000 0.235 610 E C -1.163 175.425 176.600 -0.020 0.000 1.187 610 E CA -0.515 55.870 56.400 -0.025 0.000 1.308 610 E CB 0.286 29.981 29.700 -0.009 0.000 1.222 610 E HN -0.099 nan 8.360 nan 0.000 0.414 611 V N 1.774 121.669 119.914 -0.032 0.000 2.901 611 V HA 0.023 4.143 4.120 -0.000 0.000 0.307 611 V C 0.782 176.863 176.094 -0.022 0.000 1.084 611 V CA 0.298 62.586 62.300 -0.019 0.000 1.184 611 V CB 0.534 32.340 31.823 -0.027 0.000 0.941 611 V HN 0.477 nan 8.190 nan 0.000 0.493 612 R N 3.502 123.990 120.500 -0.020 0.000 2.309 612 R HA 0.110 4.450 4.340 -0.000 0.000 0.331 612 R C 1.506 177.787 176.300 -0.030 0.000 1.116 612 R CA 0.771 56.855 56.100 -0.028 0.000 0.970 612 R CB 0.209 30.488 30.300 -0.035 0.000 1.024 612 R HN 0.931 nan 8.270 nan 0.000 0.472 613 S N 3.211 118.894 115.700 -0.028 0.000 2.400 613 S HA -0.251 4.219 4.470 -0.000 0.000 0.232 613 S C 1.928 176.512 174.600 -0.027 0.000 1.025 613 S CA 0.959 59.144 58.200 -0.026 0.000 0.993 613 S CB -0.315 62.871 63.200 -0.023 0.000 0.808 613 S HN 0.650 nan 8.310 nan 0.000 0.478 614 A N 2.002 124.803 122.820 -0.032 0.000 1.969 614 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 614 A C 1.965 179.520 177.584 -0.048 0.000 1.169 614 A CA 1.567 53.582 52.037 -0.036 0.000 0.635 614 A CB -0.692 18.285 19.000 -0.038 0.000 0.810 614 A HN 0.482 nan 8.150 nan 0.000 0.445 615 D N -0.227 120.136 120.400 -0.062 0.000 2.103 615 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 615 D C 1.931 178.202 176.300 -0.049 0.000 0.978 615 D CA 0.695 54.642 54.000 -0.089 0.000 0.829 615 D CB -0.339 40.393 40.800 -0.113 0.000 0.981 615 D HN 0.352 nan 8.370 nan 0.000 0.464 616 L N 0.294 121.500 121.223 -0.028 0.000 2.083 616 L HA -0.172 4.167 4.340 -0.000 0.000 0.209 616 L C 2.269 179.138 176.870 -0.001 0.000 1.083 616 L CA 0.685 55.520 54.840 -0.007 0.000 0.752 616 L CB -0.101 41.953 42.059 -0.008 0.000 0.899 616 L HN 0.078 nan 8.230 nan 0.000 0.433 617 L N -0.204 121.014 121.223 -0.008 0.000 2.017 617 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 617 L C 2.690 179.562 176.870 0.003 0.000 1.073 617 L CA 2.016 56.855 54.840 -0.003 0.000 0.745 617 L CB -0.764 41.290 42.059 -0.008 0.000 0.894 617 L HN 0.204 nan 8.230 nan 0.000 0.432 618 A N -0.639 122.180 122.820 -0.002 0.000 1.902 618 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 618 A C 2.270 179.875 177.584 0.035 0.000 1.181 618 A CA 1.896 53.938 52.037 0.009 0.000 0.623 618 A CB -0.767 18.229 19.000 -0.007 0.000 0.818 618 A HN 0.429 nan 8.150 nan 0.000 0.443 619 I N -0.210 120.385 120.570 0.042 0.000 2.127 619 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 619 I C 2.376 178.525 176.117 0.054 0.000 1.075 619 I CA 1.361 62.707 61.300 0.076 0.000 1.334 619 I CB -0.374 37.677 38.000 0.084 0.000 1.040 619 I HN 0.286 nan 8.210 nan 0.000 0.405 620 L N 0.543 121.788 121.223 0.037 0.000 2.131 620 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 620 L C 2.622 179.506 176.870 0.023 0.000 1.092 620 L CA 1.320 56.178 54.840 0.030 0.000 0.759 620 L CB -0.672 41.402 42.059 0.025 0.000 0.903 620 L HN 0.300 nan 8.230 nan 0.000 0.435 621 K N 0.848 121.260 120.400 0.021 0.000 2.057 621 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 621 K C 2.153 178.763 176.600 0.016 0.000 1.050 621 K CA 1.333 57.629 56.287 0.016 0.000 0.935 621 K CB -0.046 32.462 32.500 0.013 0.000 0.715 621 K HN 0.220 nan 8.250 nan 0.000 0.439 622 A N 1.507 124.342 122.820 0.025 0.000 1.898 622 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 622 A C 2.146 179.737 177.584 0.012 0.000 1.181 622 A CA 1.078 53.130 52.037 0.024 0.000 0.620 622 A CB -0.526 18.500 19.000 0.043 0.000 0.819 622 A HN 0.316 nan 8.150 nan 0.000 0.442 623 L N -0.494 120.737 121.223 0.014 0.000 2.056 623 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 623 L C 2.639 179.495 176.870 -0.023 0.000 1.078 623 L CA 1.896 56.733 54.840 -0.004 0.000 0.749 623 L CB -0.481 41.583 42.059 0.009 0.000 0.901 623 L HN 0.487 nan 8.230 nan 0.000 0.433 624 K N 0.799 121.194 120.400 -0.008 0.000 2.103 624 K HA -0.204 4.115 4.320 -0.000 0.000 0.207 624 K C 2.062 178.648 176.600 -0.022 0.000 1.048 624 K CA 1.461 57.741 56.287 -0.013 0.000 0.930 624 K CB -0.090 32.413 32.500 0.005 0.000 0.716 624 K HN 0.267 nan 8.250 nan 0.000 0.444 625 A N 1.012 123.823 122.820 -0.014 0.000 2.070 625 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 625 A C 1.546 179.115 177.584 -0.024 0.000 1.159 625 A CA 1.235 53.264 52.037 -0.014 0.000 0.656 625 A CB -0.085 18.913 19.000 -0.005 0.000 0.800 625 A HN 0.183 nan 8.150 nan 0.000 0.453 626 K N -1.538 118.841 120.400 -0.035 0.000 2.358 626 K HA 0.213 4.533 4.320 -0.000 0.000 0.197 626 K C 1.008 177.561 176.600 -0.078 0.000 1.025 626 K CA 0.655 56.915 56.287 -0.045 0.000 1.104 626 K CB 0.122 32.598 32.500 -0.039 0.000 0.855 626 K HN 0.728 nan 8.250 nan 0.000 0.531 627 G N 1.485 110.224 108.800 -0.102 0.000 2.147 627 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 627 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 627 G C 0.059 174.760 174.900 -0.331 0.000 1.005 627 G CA 0.202 45.198 45.100 -0.174 0.000 0.713 627 G HN 0.105 nan 8.290 nan 0.000 0.515 628 V N 1.007 120.773 119.914 -0.245 0.000 2.465 628 V HA 0.490 4.610 4.120 -0.000 0.000 0.279 628 V C 0.823 176.760 176.094 -0.262 0.000 1.045 628 V CA -0.649 61.498 62.300 -0.255 0.000 0.938 628 V CB 1.002 32.766 31.823 -0.100 0.000 0.986 628 V HN 0.451 nan 8.190 nan 0.000 0.467 629 H N 1.846 120.926 119.070 0.017 0.000 2.508 629 H HA 0.778 5.334 4.556 -0.001 0.000 0.358 629 H C 0.206 175.552 175.328 0.030 0.000 1.212 629 H CA 0.059 56.119 56.048 0.020 0.000 1.356 629 H CB 1.217 30.992 29.762 0.021 0.000 1.525 629 H HN 0.848 nan 8.280 nan 0.000 0.578 630 A N 0.987 123.910 122.820 0.171 0.000 2.454 630 A HA 0.581 4.901 4.320 -0.000 0.000 0.302 630 A C -1.181 176.457 177.584 0.090 0.000 1.079 630 A CA -0.989 51.112 52.037 0.106 0.000 0.731 630 A CB 1.347 20.391 19.000 0.074 0.000 1.299 630 A HN 0.797 nan 8.150 nan 0.000 0.413 631 K N 2.058 122.503 120.400 0.075 0.000 2.578 631 K HA 0.599 4.919 4.320 -0.000 0.000 0.250 631 K C -1.798 174.828 176.600 0.043 0.000 0.955 631 K CA -0.478 55.845 56.287 0.060 0.000 0.825 631 K CB 1.187 33.731 32.500 0.072 0.000 1.151 631 K HN 0.529 nan 8.250 nan 0.000 0.432 632 L N 4.470 125.709 121.223 0.026 0.000 2.325 632 L HA 0.267 4.607 4.340 -0.000 0.000 0.284 632 L C -0.624 176.246 176.870 -0.001 0.000 1.089 632 L CA -0.941 53.908 54.840 0.015 0.000 0.836 632 L CB 0.250 42.310 42.059 0.003 0.000 1.184 632 L HN 0.498 nan 8.230 nan 0.000 0.444 633 L N 4.486 125.708 121.223 -0.002 0.000 2.331 633 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 633 L C -0.399 176.371 176.870 -0.168 0.000 1.022 633 L CA -0.214 54.571 54.840 -0.091 0.000 0.812 633 L CB 1.427 43.456 42.059 -0.051 0.000 1.257 633 L HN 0.335 nan 8.230 nan 0.000 0.435 634 Y N -0.604 119.272 120.300 -0.706 0.000 2.974 634 Y HA 0.298 4.847 4.550 -0.001 0.000 0.310 634 Y C 0.935 176.161 175.900 -1.124 0.000 1.551 634 Y CA -0.374 57.239 58.100 -0.812 0.000 1.084 634 Y CB 1.354 39.644 38.460 -0.284 0.000 1.446 634 Y HN 0.548 nan 8.280 nan 0.000 0.472 635 S N 0.500 115.400 115.700 -1.333 0.000 2.558 635 S HA 0.256 4.726 4.470 -0.000 0.000 0.217 635 S C 0.078 174.450 174.600 -0.379 0.000 0.975 635 S CA 0.363 58.122 58.200 -0.736 0.000 0.912 635 S CB -0.130 62.734 63.200 -0.560 0.000 0.776 635 S HN 0.622 nan 8.310 nan 0.000 0.526 636 R N -1.306 119.044 120.500 -0.249 0.000 2.766 636 R HA 0.645 4.985 4.340 -0.000 0.000 0.270 636 R C -0.884 175.417 176.300 0.000 0.000 1.035 636 R CA -1.077 54.983 56.100 -0.066 0.000 0.911 636 R CB 0.449 30.754 30.300 0.008 0.000 1.243 636 R HN -0.070 nan 8.270 nan 0.000 0.460 637 M N 0.017 119.618 119.600 0.002 0.000 2.219 637 M HA 0.588 5.068 4.480 -0.000 0.000 0.280 637 M C 0.921 177.235 176.300 0.023 0.000 1.189 637 M CA 0.743 56.047 55.300 0.006 0.000 1.010 637 M CB 0.620 33.218 32.600 -0.005 0.000 1.422 637 M HN 1.048 nan 8.290 nan 0.000 0.504 638 G N 0.723 109.528 108.800 0.009 0.000 2.501 638 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.213 638 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.213 638 G C -0.979 173.913 174.900 -0.013 0.000 1.158 638 G CA 0.003 45.105 45.100 0.003 0.000 1.079 638 G HN 0.944 nan 8.290 nan 0.000 0.586 639 E N -1.444 118.738 120.200 -0.029 0.000 2.449 639 E HA 0.702 5.052 4.350 -0.000 0.000 0.278 639 E C -0.633 175.900 176.600 -0.110 0.000 0.992 639 E CA -0.646 55.717 56.400 -0.062 0.000 0.807 639 E CB 2.431 32.104 29.700 -0.045 0.000 1.350 639 E HN 1.684 nan 8.360 nan 0.000 0.462 640 V N -2.063 117.756 119.914 -0.159 0.000 3.040 640 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 640 V C -0.491 175.523 176.094 -0.132 0.000 1.115 640 V CA -0.791 61.385 62.300 -0.207 0.000 0.998 640 V CB 1.623 33.206 31.823 -0.399 0.000 1.042 640 V HN 0.778 nan 8.190 nan 0.000 0.433 641 T N 2.301 116.790 114.554 -0.108 0.000 2.794 641 T HA 0.789 5.139 4.350 -0.000 0.000 0.280 641 T C 0.438 175.098 174.700 -0.067 0.000 0.987 641 T CA 0.263 62.320 62.100 -0.071 0.000 0.993 641 T CB 1.417 70.255 68.868 -0.050 0.000 0.939 641 T HN 1.352 nan 8.240 nan 0.000 0.449 642 A N 2.572 125.360 122.820 -0.054 0.000 2.256 642 A HA 0.350 4.669 4.320 -0.000 0.000 0.276 642 A C 1.575 179.139 177.584 -0.034 0.000 1.259 642 A CA -0.091 51.920 52.037 -0.044 0.000 0.813 642 A CB -0.091 18.887 19.000 -0.037 0.000 1.200 642 A HN 0.892 nan 8.150 nan 0.000 0.506 643 D N -0.334 120.049 120.400 -0.028 0.000 2.097 643 D HA -0.170 4.469 4.640 -0.000 0.000 0.197 643 D C 0.783 177.071 176.300 -0.021 0.000 0.984 643 D CA 1.502 55.488 54.000 -0.023 0.000 0.826 643 D CB -0.657 40.131 40.800 -0.021 0.000 0.973 643 D HN 0.576 nan 8.370 nan 0.000 0.460 644 D N -0.850 119.538 120.400 -0.021 0.000 2.338 644 D HA 0.144 4.784 4.640 -0.000 0.000 0.239 644 D C 1.610 177.899 176.300 -0.018 0.000 1.095 644 D CA 0.623 54.612 54.000 -0.018 0.000 0.888 644 D CB -0.291 40.499 40.800 -0.017 0.000 0.899 644 D HN 0.467 nan 8.370 nan 0.000 0.525 645 G N -0.472 108.316 108.800 -0.021 0.000 2.176 645 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.253 645 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.253 645 G C 0.409 175.296 174.900 -0.023 0.000 0.979 645 G CA 0.242 45.330 45.100 -0.021 0.000 0.641 645 G HN 0.460 nan 8.290 nan 0.000 0.530 646 T N 1.053 115.592 114.554 -0.024 0.000 2.902 646 T HA 0.396 4.745 4.350 -0.000 0.000 0.301 646 T C 0.655 175.336 174.700 -0.032 0.000 1.012 646 T CA 0.126 62.211 62.100 -0.024 0.000 1.151 646 T CB 2.139 70.993 68.868 -0.023 0.000 0.946 646 T HN 0.420 nan 8.240 nan 0.000 0.542 647 V N 5.170 125.067 119.914 -0.029 0.000 2.406 647 V HA 0.242 4.361 4.120 -0.000 0.000 0.272 647 V C -0.230 175.842 176.094 -0.037 0.000 1.043 647 V CA -0.676 61.602 62.300 -0.035 0.000 0.915 647 V CB 0.994 32.800 31.823 -0.029 0.000 0.988 647 V HN 0.548 nan 8.190 nan 0.000 0.466 648 L N 9.211 130.402 121.223 -0.053 0.000 2.276 648 L HA 0.511 4.851 4.340 -0.000 0.000 0.286 648 L C -2.203 174.633 176.870 -0.056 0.000 1.024 648 L CA -2.349 52.459 54.840 -0.054 0.000 0.826 648 L CB 1.543 43.560 42.059 -0.071 0.000 1.211 648 L HN 0.416 nan 8.230 nan 0.000 0.422 649 P HA 0.208 nan 4.420 nan 0.000 0.276 649 P C -0.272 177.011 177.300 -0.028 0.000 1.243 649 P CA -0.079 63.004 63.100 -0.029 0.000 0.768 649 P CB 0.630 32.321 31.700 -0.015 0.000 0.856 650 I N 2.635 123.188 120.570 -0.028 0.000 2.371 650 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 650 I C 1.586 177.695 176.117 -0.013 0.000 1.028 650 I CA -0.259 61.029 61.300 -0.021 0.000 1.345 650 I CB 1.249 39.244 38.000 -0.009 0.000 1.407 650 I HN 0.361 nan 8.210 nan 0.000 0.501 651 A N 5.361 128.176 122.820 -0.009 0.000 1.935 651 A HA 0.564 4.884 4.320 -0.000 0.000 0.214 651 A C 1.001 178.583 177.584 -0.004 0.000 1.178 651 A CA 1.220 53.257 52.037 -0.001 0.000 0.640 651 A CB 0.043 19.050 19.000 0.011 0.000 0.825 651 A HN 0.797 nan 8.150 nan 0.000 0.447 652 A N -2.036 120.773 122.820 -0.018 0.000 2.564 652 A HA 0.593 4.912 4.320 -0.000 0.000 0.291 652 A C -0.035 177.494 177.584 -0.091 0.000 1.102 652 A CA 0.119 52.141 52.037 -0.025 0.000 0.660 652 A CB -0.185 18.825 19.000 0.015 0.000 1.283 652 A HN 0.719 nan 8.150 nan 0.000 0.430 653 T N -1.842 112.655 114.554 -0.096 0.000 2.881 653 T HA 0.572 4.922 4.350 -0.000 0.000 0.278 653 T C 0.834 175.461 174.700 -0.122 0.000 0.982 653 T CA -0.031 61.939 62.100 -0.216 0.000 0.989 653 T CB 0.161 68.950 68.868 -0.132 0.000 1.058 653 T HN 0.443 nan 8.240 nan 0.000 0.529 654 F N 0.357 120.332 119.950 0.041 0.000 2.171 654 F HA 0.038 4.565 4.527 -0.001 0.000 0.300 654 F C 2.900 178.828 175.800 0.213 0.000 1.090 654 F CA 0.923 59.004 58.000 0.135 0.000 1.293 654 F CB -0.551 38.503 39.000 0.089 0.000 1.013 654 F HN 0.695 nan 8.300 nan 0.000 0.486 655 A N 0.114 123.091 122.820 0.260 0.000 2.021 655 A HA 0.118 4.437 4.320 -0.000 0.000 0.216 655 A C 2.396 180.046 177.584 0.109 0.000 1.163 655 A CA 1.206 53.341 52.037 0.165 0.000 0.676 655 A CB -1.276 17.784 19.000 0.100 0.000 0.818 655 A HN 0.372 nan 8.150 nan 0.000 0.453 656 G N -0.962 107.890 108.800 0.086 0.000 2.511 656 G HA2 0.310 4.270 3.960 -0.000 0.000 0.217 656 G HA3 0.310 4.270 3.960 -0.000 0.000 0.217 656 G C 0.596 175.542 174.900 0.078 0.000 1.133 656 G CA 0.950 46.084 45.100 0.056 0.000 0.792 656 G HN 1.072 nan 8.290 nan 0.000 0.539 657 A N 0.600 123.500 122.820 0.134 0.000 3.127 657 A HA 0.689 5.009 4.320 -0.000 0.000 0.319 657 A C -2.751 174.984 177.584 0.252 0.000 1.104 657 A CA -1.056 51.075 52.037 0.158 0.000 0.802 657 A CB 1.248 20.337 19.000 0.148 0.000 1.193 657 A HN 0.068 nan 8.150 nan 0.000 0.479 658 P HA 0.032 nan 4.420 nan 0.000 0.270 658 P C 1.401 178.546 177.300 -0.258 0.000 1.227 658 P CA 0.476 63.533 63.100 -0.073 0.000 0.788 658 P CB 0.741 32.385 31.700 -0.093 0.000 0.926 659 S N 0.562 115.755 115.700 -0.845 0.000 2.419 659 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 659 S C 1.787 176.252 174.600 -0.224 0.000 1.019 659 S CA 1.135 58.963 58.200 -0.621 0.000 0.982 659 S CB -1.147 61.602 63.200 -0.751 0.000 0.789 659 S HN 0.177 nan 8.310 nan 0.000 0.490 660 L N 2.694 123.793 121.223 -0.208 0.000 2.089 660 L HA -0.091 4.249 4.340 -0.000 0.000 0.213 660 L C 2.893 179.618 176.870 -0.242 0.000 1.079 660 L CA 2.244 56.960 54.840 -0.207 0.000 0.758 660 L CB -1.677 40.240 42.059 -0.238 0.000 0.891 660 L HN 0.774 nan 8.230 nan 0.000 0.433 661 T N -4.084 110.397 114.554 -0.122 0.000 3.129 661 T HA 0.212 4.562 4.350 -0.000 0.000 0.251 661 T C 0.449 175.257 174.700 0.179 0.000 1.117 661 T CA 0.401 62.525 62.100 0.039 0.000 1.034 661 T CB -0.552 68.416 68.868 0.167 0.000 0.968 661 T HN 0.081 nan 8.240 nan 0.000 0.526 662 V N -2.600 117.379 119.914 0.108 0.000 3.158 662 V HA 0.582 4.702 4.120 -0.000 0.000 0.315 662 V C -0.071 176.078 176.094 0.092 0.000 1.148 662 V CA -0.950 61.433 62.300 0.138 0.000 1.042 662 V CB 2.055 33.973 31.823 0.158 0.000 1.101 662 V HN -0.015 nan 8.190 nan 0.000 0.448 663 D N 0.739 121.192 120.400 0.089 0.000 2.355 663 D HA 0.499 5.139 4.640 -0.000 0.000 0.206 663 D C 0.552 176.848 176.300 -0.006 0.000 1.010 663 D CA 1.467 55.496 54.000 0.049 0.000 0.875 663 D CB 1.498 42.346 40.800 0.080 0.000 0.966 663 D HN 0.975 nan 8.370 nan 0.000 0.512 664 A N 0.083 122.913 122.820 0.016 0.000 2.601 664 A HA 0.554 4.873 4.320 -0.000 0.000 0.291 664 A C -1.590 176.015 177.584 0.034 0.000 1.075 664 A CA -0.546 51.486 52.037 -0.009 0.000 0.671 664 A CB 1.524 20.504 19.000 -0.034 0.000 1.277 664 A HN -0.112 nan 8.150 nan 0.000 0.417 665 V N 0.982 120.908 119.914 0.020 0.000 2.638 665 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 665 V C -0.745 175.353 176.094 0.006 0.000 1.052 665 V CA -0.213 62.110 62.300 0.038 0.000 0.885 665 V CB 1.557 33.423 31.823 0.072 0.000 0.999 665 V HN 0.704 nan 8.190 nan 0.000 0.424 666 I N 4.030 124.609 120.570 0.016 0.000 2.498 666 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 666 I C -0.928 175.213 176.117 0.040 0.000 1.032 666 I CA -0.978 60.357 61.300 0.059 0.000 1.073 666 I CB 2.369 40.435 38.000 0.110 0.000 1.251 666 I HN 0.278 nan 8.210 nan 0.000 0.426 667 V N 7.251 127.206 119.914 0.068 0.000 2.349 667 V HA 0.342 4.461 4.120 -0.000 0.000 0.284 667 V C -2.130 174.021 176.094 0.094 0.000 1.014 667 V CA -1.591 60.737 62.300 0.047 0.000 0.826 667 V CB 1.259 33.087 31.823 0.008 0.000 1.009 667 V HN 0.557 nan 8.190 nan 0.000 0.431 668 P HA 0.203 nan 4.420 nan 0.000 0.274 668 P C 0.245 177.563 177.300 0.031 0.000 1.246 668 P CA -0.207 62.908 63.100 0.025 0.000 0.795 668 P CB 1.127 32.834 31.700 0.011 0.000 1.006 669 C N 0.179 119.473 119.300 -0.009 0.000 2.705 669 C HA 0.744 5.204 4.460 -0.000 0.000 0.311 669 C C 1.266 176.263 174.990 0.012 0.000 1.576 669 C CA 1.481 60.502 59.018 0.005 0.000 2.161 669 C CB -0.559 27.165 27.740 -0.026 0.000 2.032 669 C HN 0.934 nan 8.230 nan 0.000 0.616 670 G N 0.529 109.335 108.800 0.010 0.000 2.236 670 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.231 670 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.231 670 G C -0.648 174.263 174.900 0.018 0.000 1.334 670 G CA 0.009 45.114 45.100 0.009 0.000 1.137 670 G HN 1.018 nan 8.290 nan 0.000 0.482 671 N N 1.416 120.133 118.700 0.027 0.000 2.739 671 N HA 0.142 4.882 4.740 -0.000 0.000 0.266 671 N C 1.320 176.862 175.510 0.054 0.000 1.168 671 N CA -0.604 52.465 53.050 0.032 0.000 1.055 671 N CB -0.152 38.356 38.487 0.034 0.000 1.393 671 N HN 0.368 nan 8.380 nan 0.000 0.514 672 I N 1.990 122.581 120.570 0.035 0.000 2.756 672 I HA -0.175 3.995 4.170 -0.000 0.000 0.262 672 I C 2.303 178.417 176.117 -0.005 0.000 1.225 672 I CA 0.592 61.913 61.300 0.034 0.000 1.472 672 I CB -1.370 36.622 38.000 -0.014 0.000 1.094 672 I HN 0.478 nan 8.210 nan 0.000 0.454 673 A N 0.646 123.461 122.820 -0.009 0.000 2.019 673 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 673 A C 2.078 179.680 177.584 0.029 0.000 1.164 673 A CA 1.824 53.853 52.037 -0.014 0.000 0.644 673 A CB -0.567 18.427 19.000 -0.011 0.000 0.805 673 A HN 0.413 nan 8.150 nan 0.000 0.449 674 D N 0.520 120.966 120.400 0.075 0.000 2.144 674 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 674 D C 1.515 177.898 176.300 0.138 0.000 0.984 674 D CA 1.730 55.803 54.000 0.121 0.000 0.834 674 D CB -0.202 40.706 40.800 0.180 0.000 0.955 674 D HN 0.622 nan 8.370 nan 0.000 0.465 675 I N -3.852 116.818 120.570 0.167 0.000 4.154 675 I HA 0.493 4.662 4.170 -0.000 0.000 0.334 675 I C 1.890 178.131 176.117 0.207 0.000 1.371 675 I CA -0.092 61.325 61.300 0.196 0.000 1.110 675 I CB 0.143 38.300 38.000 0.261 0.000 1.085 675 I HN -0.086 nan 8.210 nan 0.000 0.398 676 A N 1.817 124.667 122.820 0.051 0.000 1.978 676 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 676 A C 1.483 179.041 177.584 -0.044 0.000 1.170 676 A CA 2.034 53.968 52.037 -0.173 0.000 0.636 676 A CB -0.470 18.366 19.000 -0.273 0.000 0.810 676 A HN 0.565 nan 8.150 nan 0.000 0.448 677 D N -0.608 119.798 120.400 0.010 0.000 2.501 677 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 677 D C -0.197 176.130 176.300 0.045 0.000 1.198 677 D CA -0.266 53.747 54.000 0.021 0.000 0.830 677 D CB -0.250 40.550 40.800 0.001 0.000 1.014 677 D HN 0.309 nan 8.370 nan 0.000 0.496 678 N N 1.268 120.010 118.700 0.071 0.000 2.420 678 N HA 0.030 4.769 4.740 -0.000 0.000 0.262 678 N C 1.413 176.951 175.510 0.046 0.000 1.144 678 N CA 0.021 53.105 53.050 0.056 0.000 0.952 678 N CB 1.518 40.037 38.487 0.055 0.000 1.081 678 N HN 0.032 nan 8.380 nan 0.000 0.480 679 G N 3.341 112.168 108.800 0.045 0.000 2.476 679 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 679 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 679 G C 0.947 175.888 174.900 0.068 0.000 1.164 679 G CA 0.711 45.840 45.100 0.047 0.000 0.768 679 G HN 0.661 nan 8.290 nan 0.000 0.560 680 D N 1.016 121.461 120.400 0.076 0.000 2.149 680 D HA -0.003 4.637 4.640 -0.000 0.000 0.201 680 D C 2.848 179.144 176.300 -0.006 0.000 0.972 680 D CA 1.082 55.158 54.000 0.126 0.000 0.835 680 D CB -0.376 40.560 40.800 0.226 0.000 0.966 680 D HN 0.332 nan 8.370 nan 0.000 0.476 681 A N 1.703 124.356 122.820 -0.278 0.000 1.877 681 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 681 A C 2.043 179.425 177.584 -0.337 0.000 1.186 681 A CA 1.268 52.901 52.037 -0.674 0.000 0.620 681 A CB -0.521 18.043 19.000 -0.727 0.000 0.822 681 A HN 0.143 nan 8.150 nan 0.000 0.443 682 N N -1.624 117.022 118.700 -0.090 0.000 2.120 682 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 682 N C 1.714 177.222 175.510 -0.003 0.000 1.024 682 N CA 1.753 54.804 53.050 0.002 0.000 0.852 682 N CB -0.434 38.119 38.487 0.110 0.000 1.003 682 N HN 0.695 nan 8.380 nan 0.000 0.424 683 Y N 0.567 120.833 120.300 -0.057 0.000 2.224 683 Y HA -0.277 4.273 4.550 -0.000 0.000 0.289 683 Y C 2.393 178.251 175.900 -0.070 0.000 1.146 683 Y CA 1.211 59.277 58.100 -0.057 0.000 1.182 683 Y CB -0.311 38.123 38.460 -0.044 0.000 0.983 683 Y HN 0.023 nan 8.280 nan 0.000 0.524 684 Y N -0.231 119.948 120.300 -0.202 0.000 2.114 684 Y HA -0.333 4.217 4.550 -0.001 0.000 0.282 684 Y C 2.030 177.739 175.900 -0.318 0.000 1.165 684 Y CA 1.854 59.801 58.100 -0.254 0.000 1.148 684 Y CB -0.473 37.841 38.460 -0.244 0.000 0.972 684 Y HN 0.149 nan 8.280 nan 0.000 0.504 685 L N -0.681 120.478 121.223 -0.106 0.000 2.109 685 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 685 L C 2.295 179.059 176.870 -0.178 0.000 1.086 685 L CA 1.660 56.418 54.840 -0.136 0.000 0.760 685 L CB -1.102 40.835 42.059 -0.203 0.000 0.910 685 L HN 0.317 nan 8.230 nan 0.000 0.437 686 M N -1.252 118.191 119.600 -0.262 0.000 2.132 686 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 686 M C 2.163 178.225 176.300 -0.396 0.000 1.065 686 M CA 1.524 56.664 55.300 -0.266 0.000 1.122 686 M CB -0.424 32.036 32.600 -0.232 0.000 1.365 686 M HN 0.250 nan 8.290 nan 0.000 0.411 687 E N 0.809 120.584 120.200 -0.709 0.000 2.047 687 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 687 E C 2.051 178.295 176.600 -0.595 0.000 0.987 687 E CA 1.261 57.197 56.400 -0.774 0.000 0.799 687 E CB 0.029 29.202 29.700 -0.877 0.000 0.752 687 E HN 0.461 nan 8.360 nan 0.000 0.449 688 A N 0.297 122.890 122.820 -0.378 0.000 1.933 688 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 688 A C 2.033 179.523 177.584 -0.155 0.000 1.175 688 A CA 1.486 53.397 52.037 -0.210 0.000 0.628 688 A CB -0.897 18.041 19.000 -0.103 0.000 0.814 688 A HN 0.560 nan 8.150 nan 0.000 0.444 689 Y N 0.502 120.653 120.300 -0.249 0.000 2.145 689 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 689 Y C 2.398 178.179 175.900 -0.198 0.000 1.145 689 Y CA 2.329 60.312 58.100 -0.195 0.000 1.148 689 Y CB -0.235 38.127 38.460 -0.165 0.000 0.981 689 Y HN 0.311 nan 8.280 nan 0.000 0.507 690 K N -0.612 119.682 120.400 -0.176 0.000 2.103 690 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 690 K C 1.089 177.575 176.600 -0.190 0.000 1.048 690 K CA 2.052 58.203 56.287 -0.226 0.000 0.930 690 K CB -0.439 31.886 32.500 -0.293 0.000 0.716 690 K HN 0.591 nan 8.250 nan 0.000 0.444 691 H N 0.276 119.234 119.070 -0.186 0.000 2.536 691 H HA 0.175 4.731 4.556 -0.000 0.000 0.276 691 H C -0.019 175.156 175.328 -0.255 0.000 1.019 691 H CA 0.175 56.109 56.048 -0.191 0.000 1.159 691 H CB 0.102 29.748 29.762 -0.193 0.000 1.373 691 H HN 0.119 nan 8.280 nan 0.000 0.584 692 L N 0.053 121.138 121.223 -0.231 0.000 4.089 692 L HA -0.273 4.067 4.340 -0.000 0.000 0.408 692 L C -0.384 176.236 176.870 -0.417 0.000 1.184 692 L CA 0.578 55.192 54.840 -0.377 0.000 0.947 692 L CB -1.668 40.150 42.059 -0.402 0.000 2.066 692 L HN 0.316 nan 8.230 nan 0.000 0.851 693 K N 0.968 121.189 120.400 -0.297 0.000 2.174 693 K HA 0.457 4.777 4.320 -0.000 0.000 0.275 693 K C -2.122 174.351 176.600 -0.212 0.000 1.015 693 K CA -1.823 54.310 56.287 -0.256 0.000 0.933 693 K CB 0.675 33.080 32.500 -0.159 0.000 1.025 693 K HN -0.204 nan 8.250 nan 0.000 0.463 694 P HA 0.013 nan 4.420 nan 0.000 0.265 694 P C -0.753 176.485 177.300 -0.104 0.000 1.193 694 P CA 0.477 63.480 63.100 -0.161 0.000 0.765 694 P CB 0.375 31.977 31.700 -0.162 0.000 0.823 695 I N 1.940 122.462 120.570 -0.079 0.000 2.498 695 I HA 0.608 4.777 4.170 -0.000 0.000 0.290 695 I C -0.328 175.749 176.117 -0.068 0.000 1.032 695 I CA -0.836 60.438 61.300 -0.045 0.000 1.073 695 I CB 2.211 40.213 38.000 0.004 0.000 1.251 695 I HN 0.260 nan 8.210 nan 0.000 0.426 696 A N 7.655 130.441 122.820 -0.057 0.000 2.343 696 A HA 0.867 5.186 4.320 -0.000 0.000 0.308 696 A C -1.124 176.554 177.584 0.157 0.000 1.092 696 A CA -0.427 51.558 52.037 -0.086 0.000 0.751 696 A CB 0.955 19.752 19.000 -0.337 0.000 1.203 696 A HN 0.660 nan 8.150 nan 0.000 0.452 697 L N 2.251 123.622 121.223 0.248 0.000 2.356 697 L HA 0.721 5.061 4.340 -0.000 0.000 0.277 697 L C 0.306 177.365 176.870 0.315 0.000 0.996 697 L CA -0.589 54.410 54.840 0.265 0.000 0.822 697 L CB 2.002 44.166 42.059 0.175 0.000 1.256 697 L HN 0.780 nan 8.230 nan 0.000 0.413 698 A N 2.349 125.267 122.820 0.163 0.000 2.304 698 A HA 0.803 5.123 4.320 -0.000 0.000 0.323 698 A C 0.711 178.285 177.584 -0.017 0.000 1.195 698 A CA 0.321 52.331 52.037 -0.045 0.000 0.826 698 A CB 1.090 19.916 19.000 -0.290 0.000 1.184 698 A HN 0.986 nan 8.150 nan 0.000 0.496 699 G N 2.183 110.964 108.800 -0.033 0.000 2.660 699 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.321 699 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.321 699 G C 0.589 175.489 174.900 -0.000 0.000 1.246 699 G CA 0.961 46.047 45.100 -0.023 0.000 1.000 699 G HN 0.694 nan 8.290 nan 0.000 0.550 700 D N 1.394 121.789 120.400 -0.007 0.000 2.309 700 D HA 0.196 4.835 4.640 -0.000 0.000 0.212 700 D C 2.618 178.914 176.300 -0.006 0.000 0.968 700 D CA 1.571 55.560 54.000 -0.018 0.000 0.882 700 D CB -0.687 40.096 40.800 -0.029 0.000 0.918 700 D HN 0.775 nan 8.370 nan 0.000 0.503 701 A N 0.668 123.526 122.820 0.064 0.000 2.076 701 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 701 A C 2.039 179.732 177.584 0.183 0.000 1.160 701 A CA 0.870 53.021 52.037 0.190 0.000 0.653 701 A CB -0.428 18.702 19.000 0.216 0.000 0.801 701 A HN 0.147 nan 8.150 nan 0.000 0.455 702 R N -0.390 120.163 120.500 0.088 0.000 2.293 702 R HA -0.075 4.265 4.340 -0.000 0.000 0.219 702 R C 1.629 177.938 176.300 0.015 0.000 1.091 702 R CA 1.202 57.343 56.100 0.067 0.000 1.004 702 R CB -0.172 30.155 30.300 0.045 0.000 0.865 702 R HN 0.513 nan 8.270 nan 0.000 0.469 703 K N -0.316 120.046 120.400 -0.063 0.000 2.283 703 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 703 K C 1.148 177.630 176.600 -0.197 0.000 1.048 703 K CA 1.004 57.196 56.287 -0.158 0.000 0.948 703 K CB 0.006 32.359 32.500 -0.244 0.000 0.742 703 K HN 0.147 nan 8.250 nan 0.000 0.458 704 F N 1.336 121.263 119.950 -0.038 0.000 2.604 704 F HA -0.069 4.458 4.527 -0.001 0.000 0.298 704 F C 1.802 177.557 175.800 -0.075 0.000 1.131 704 F CA 0.722 58.689 58.000 -0.056 0.000 1.457 704 F CB 0.020 38.986 39.000 -0.057 0.000 1.095 704 F HN -0.084 nan 8.300 nan 0.000 0.574 705 K N 0.307 120.753 120.400 0.076 0.000 2.160 705 K HA -0.210 4.109 4.320 -0.000 0.000 0.206 705 K C 2.304 178.879 176.600 -0.042 0.000 1.047 705 K CA 1.137 57.424 56.287 0.000 0.000 0.930 705 K CB -0.342 32.155 32.500 -0.005 0.000 0.720 705 K HN 0.272 nan 8.250 nan 0.000 0.450 706 A N 0.444 123.245 122.820 -0.032 0.000 1.933 706 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 706 A C 2.223 179.780 177.584 -0.045 0.000 1.175 706 A CA 2.100 54.111 52.037 -0.044 0.000 0.628 706 A CB -0.849 18.123 19.000 -0.047 0.000 0.814 706 A HN 0.321 nan 8.150 nan 0.000 0.444 707 T N 0.110 114.656 114.554 -0.014 0.000 2.915 707 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 707 T C 1.345 175.984 174.700 -0.101 0.000 1.071 707 T CA 1.424 63.514 62.100 -0.016 0.000 1.132 707 T CB -0.558 68.349 68.868 0.064 0.000 0.878 707 T HN 0.608 nan 8.240 nan 0.000 0.479 708 I N -2.699 117.755 120.570 -0.194 0.000 3.941 708 I HA 0.485 4.655 4.170 -0.000 0.000 0.335 708 I C 0.000 175.871 176.117 -0.410 0.000 1.402 708 I CA -0.566 60.478 61.300 -0.427 0.000 1.112 708 I CB 0.039 37.579 38.000 -0.767 0.000 1.043 708 I HN -0.099 nan 8.210 nan 0.000 0.395 709 K N 1.789 122.066 120.400 -0.206 0.000 3.150 709 K HA -0.094 4.226 4.320 -0.000 0.000 0.267 709 K C -0.486 176.043 176.600 -0.119 0.000 1.028 709 K CA 0.559 56.768 56.287 -0.130 0.000 0.753 709 K CB -1.657 30.785 32.500 -0.096 0.000 1.288 709 K HN 0.440 nan 8.250 nan 0.000 0.473 710 I N 0.292 120.790 120.570 -0.120 0.000 2.440 710 I HA 0.392 4.562 4.170 -0.000 0.000 0.294 710 I C 1.374 177.472 176.117 -0.032 0.000 0.995 710 I CA -0.994 60.266 61.300 -0.068 0.000 1.306 710 I CB 0.906 38.868 38.000 -0.064 0.000 1.407 710 I HN 0.286 nan 8.210 nan 0.000 0.501 711 A N 4.579 127.392 122.820 -0.012 0.000 2.313 711 A HA 0.201 4.521 4.320 -0.000 0.000 0.261 711 A C 0.913 178.495 177.584 -0.003 0.000 1.090 711 A CA -0.304 51.729 52.037 -0.006 0.000 0.807 711 A CB 0.169 19.169 19.000 0.001 0.000 1.055 711 A HN 0.749 nan 8.150 nan 0.000 0.492 712 D N -0.050 120.348 120.400 -0.003 0.000 2.218 712 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 712 D C 1.973 178.276 176.300 0.004 0.000 0.976 712 D CA 1.855 55.855 54.000 -0.000 0.000 0.853 712 D CB -0.158 40.641 40.800 -0.002 0.000 0.939 712 D HN 0.804 nan 8.370 nan 0.000 0.481 713 Q N 0.435 120.238 119.800 0.005 0.000 2.436 713 Q HA 0.152 4.492 4.340 -0.000 0.000 0.209 713 Q C 0.984 176.990 176.000 0.010 0.000 0.965 713 Q CA 0.838 56.645 55.803 0.008 0.000 0.910 713 Q CB 0.060 28.802 28.738 0.007 0.000 0.980 713 Q HN 0.096 nan 8.270 nan 0.000 0.491 714 G N 1.354 110.160 108.800 0.010 0.000 2.698 714 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.225 714 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.225 714 G C -1.083 173.826 174.900 0.015 0.000 1.345 714 G CA -0.208 44.900 45.100 0.013 0.000 0.871 714 G HN 0.687 nan 8.290 nan 0.000 0.540 715 E N -1.003 119.207 120.200 0.016 0.000 2.375 715 E HA 0.521 4.871 4.350 -0.000 0.000 0.280 715 E C -0.839 175.762 176.600 0.002 0.000 0.972 715 E CA -0.982 55.429 56.400 0.018 0.000 0.782 715 E CB 1.294 31.019 29.700 0.042 0.000 1.229 715 E HN 0.426 nan 8.360 nan 0.000 0.439 716 E N 0.984 121.177 120.200 -0.012 0.000 2.415 716 E HA 0.251 4.600 4.350 -0.000 0.000 0.263 716 E C 0.806 177.371 176.600 -0.058 0.000 0.995 716 E CA 1.622 58.000 56.400 -0.037 0.000 0.915 716 E CB 1.114 30.790 29.700 -0.040 0.000 0.951 716 E HN 0.925 nan 8.360 nan 0.000 0.449 717 G N 2.951 111.703 108.800 -0.079 0.000 2.253 717 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.209 717 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.209 717 G C 0.114 174.970 174.900 -0.073 0.000 0.997 717 G CA -0.399 44.635 45.100 -0.109 0.000 0.640 717 G HN 0.407 nan 8.290 nan 0.000 0.496 718 I N 2.378 122.927 120.570 -0.034 0.000 2.382 718 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 718 I C 0.476 176.563 176.117 -0.050 0.000 1.007 718 I CA -1.164 60.126 61.300 -0.017 0.000 1.142 718 I CB 1.178 39.199 38.000 0.033 0.000 1.289 718 I HN -0.087 nan 8.210 nan 0.000 0.453 719 V N 7.528 127.376 119.914 -0.110 0.000 2.546 719 V HA 0.379 4.499 4.120 -0.000 0.000 0.284 719 V C 0.250 176.315 176.094 -0.049 0.000 1.050 719 V CA -0.347 61.850 62.300 -0.173 0.000 0.981 719 V CB 1.222 32.781 31.823 -0.441 0.000 0.990 719 V HN 0.874 nan 8.190 nan 0.000 0.474 720 E N 4.047 124.285 120.200 0.064 0.000 2.372 720 E HA 0.876 5.226 4.350 -0.000 0.000 0.279 720 E C -0.950 175.791 176.600 0.237 0.000 0.946 720 E CA -0.922 55.600 56.400 0.204 0.000 0.769 720 E CB 2.470 32.239 29.700 0.115 0.000 1.230 720 E HN 0.827 nan 8.360 nan 0.000 0.442 721 A N 1.587 124.553 122.820 0.245 0.000 2.511 721 A HA 0.354 4.674 4.320 -0.000 0.000 0.293 721 A C -0.664 176.937 177.584 0.028 0.000 1.098 721 A CA -0.527 51.590 52.037 0.134 0.000 0.643 721 A CB 0.826 19.937 19.000 0.184 0.000 1.302 721 A HN 0.603 nan 8.150 nan 0.000 0.446 722 D N 0.396 120.790 120.400 -0.009 0.000 2.149 722 D HA 0.062 4.701 4.640 -0.000 0.000 0.201 722 D C 1.037 177.278 176.300 -0.098 0.000 0.972 722 D CA 2.139 56.116 54.000 -0.039 0.000 0.835 722 D CB 0.060 40.843 40.800 -0.028 0.000 0.966 722 D HN 0.719 nan 8.370 nan 0.000 0.476 723 S N -1.289 114.320 115.700 -0.153 0.000 2.627 723 S HA 0.640 5.110 4.470 -0.000 0.000 0.283 723 S C 0.172 174.481 174.600 -0.485 0.000 1.127 723 S CA -0.611 57.447 58.200 -0.236 0.000 0.863 723 S CB 2.237 65.350 63.200 -0.145 0.000 1.121 723 S HN -0.008 nan 8.310 nan 0.000 0.479 724 A N 0.664 123.137 122.820 -0.577 0.000 2.281 724 A HA 0.363 4.683 4.320 -0.000 0.000 0.231 724 A C 0.384 177.728 177.584 -0.400 0.000 1.317 724 A CA 0.417 51.901 52.037 -0.923 0.000 0.959 724 A CB -1.118 17.568 19.000 -0.524 0.000 0.900 724 A HN 0.807 nan 8.150 nan 0.000 0.497 725 D N -3.343 116.946 120.400 -0.185 0.000 3.966 725 D HA 0.478 5.118 4.640 -0.000 0.000 0.310 725 D C 1.044 177.385 176.300 0.069 0.000 1.536 725 D CA 1.016 55.036 54.000 0.033 0.000 0.980 725 D CB 0.034 40.853 40.800 0.032 0.000 1.397 725 D HN 0.661 nan 8.370 nan 0.000 0.643 726 G N 0.431 109.262 108.800 0.052 0.000 2.652 726 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.278 726 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.278 726 G C 0.575 175.519 174.900 0.074 0.000 1.263 726 G CA 1.387 46.517 45.100 0.049 0.000 0.966 726 G HN 1.170 nan 8.290 nan 0.000 0.544 727 S N 0.061 115.816 115.700 0.092 0.000 2.575 727 S HA 0.512 4.981 4.470 -0.000 0.000 0.237 727 S C 1.500 176.172 174.600 0.121 0.000 0.975 727 S CA 0.866 59.116 58.200 0.084 0.000 0.960 727 S CB 0.286 63.517 63.200 0.051 0.000 0.822 727 S HN 1.110 nan 8.310 nan 0.000 0.472 728 F N 2.563 122.512 119.950 -0.002 0.000 2.113 728 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 728 F C 2.046 177.843 175.800 -0.004 0.000 1.103 728 F CA 1.403 59.401 58.000 -0.003 0.000 1.248 728 F CB -0.188 38.812 39.000 -0.001 0.000 0.999 728 F HN 0.156 nan 8.300 nan 0.000 0.475 729 M N 0.123 119.864 119.600 0.236 0.000 2.254 729 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 729 M C 1.710 178.012 176.300 0.002 0.000 1.066 729 M CA 1.148 56.506 55.300 0.098 0.000 1.123 729 M CB -1.279 31.409 32.600 0.146 0.000 1.388 729 M HN 0.120 nan 8.290 nan 0.000 0.425 730 D N 0.573 120.983 120.400 0.016 0.000 2.117 730 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 730 D C 1.953 178.228 176.300 -0.042 0.000 0.987 730 D CA 1.113 55.108 54.000 -0.008 0.000 0.829 730 D CB -0.083 40.721 40.800 0.007 0.000 0.961 730 D HN 0.472 nan 8.370 nan 0.000 0.460 731 E N 0.355 120.516 120.200 -0.066 0.000 2.051 731 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 731 E C 2.122 178.637 176.600 -0.143 0.000 0.991 731 E CA 0.243 56.583 56.400 -0.101 0.000 0.799 731 E CB -0.052 29.574 29.700 -0.124 0.000 0.748 731 E HN 0.158 nan 8.360 nan 0.000 0.449 732 L N 1.040 122.139 121.223 -0.208 0.000 2.046 732 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 732 L C 2.029 178.827 176.870 -0.121 0.000 1.077 732 L CA 1.352 56.068 54.840 -0.207 0.000 0.747 732 L CB -0.394 41.492 42.059 -0.290 0.000 0.896 732 L HN 0.211 nan 8.230 nan 0.000 0.432 733 L N -0.013 121.160 121.223 -0.083 0.000 2.201 733 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 733 L C 2.584 179.427 176.870 -0.045 0.000 1.105 733 L CA 1.514 56.323 54.840 -0.051 0.000 0.775 733 L CB -1.764 40.277 42.059 -0.031 0.000 0.913 733 L HN 0.267 nan 8.230 nan 0.000 0.440 734 T N -0.277 114.246 114.554 -0.051 0.000 2.821 734 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 734 T C 2.105 176.771 174.700 -0.056 0.000 1.046 734 T CA 0.844 62.919 62.100 -0.042 0.000 1.139 734 T CB -0.071 68.773 68.868 -0.039 0.000 0.871 734 T HN 0.192 nan 8.240 nan 0.000 0.454 735 L N 0.307 121.479 121.223 -0.087 0.000 2.056 735 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 735 L C 2.674 179.478 176.870 -0.109 0.000 1.078 735 L CA 1.226 55.996 54.840 -0.117 0.000 0.749 735 L CB -0.523 41.448 42.059 -0.147 0.000 0.901 735 L HN 0.294 nan 8.230 nan 0.000 0.433 736 M N -0.654 118.897 119.600 -0.081 0.000 2.159 736 M HA -0.179 4.300 4.480 -0.000 0.000 0.263 736 M C 2.448 178.747 176.300 -0.001 0.000 1.063 736 M CA 1.725 56.997 55.300 -0.046 0.000 1.110 736 M CB -0.503 32.078 32.600 -0.032 0.000 1.374 736 M HN 0.314 nan 8.290 nan 0.000 0.411 737 A N 0.226 123.046 122.820 -0.001 0.000 2.019 737 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 737 A C 2.135 179.755 177.584 0.060 0.000 1.164 737 A CA 1.698 53.753 52.037 0.030 0.000 0.644 737 A CB -0.624 18.387 19.000 0.019 0.000 0.805 737 A HN 0.508 nan 8.150 nan 0.000 0.449 738 A N -2.658 120.178 122.820 0.026 0.000 2.275 738 A HA 0.363 4.682 4.320 -0.000 0.000 0.212 738 A C 0.941 178.542 177.584 0.028 0.000 1.201 738 A CA 1.186 53.246 52.037 0.038 0.000 0.843 738 A CB -0.458 18.520 19.000 -0.036 0.000 0.873 738 A HN 0.907 nan 8.150 nan 0.000 0.492 739 H N -1.037 117.970 119.070 -0.105 0.000 4.891 739 H HA -0.200 4.356 4.556 -0.000 0.000 0.059 739 H C 0.032 175.137 175.328 -0.371 0.000 0.587 739 H CA 2.444 58.406 56.048 -0.142 0.000 0.970 739 H CB -0.558 29.218 29.762 0.024 0.000 0.535 739 H HN 0.455 nan 8.280 nan 0.000 0.802 740 R N -0.225 119.696 120.500 -0.966 0.000 2.837 740 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 740 R C -0.654 174.826 176.300 -1.368 0.000 0.993 740 R CA -0.335 54.971 56.100 -1.323 0.000 0.931 740 R CB 1.773 30.966 30.300 -1.844 0.000 1.206 740 R HN 0.097 nan 8.270 nan 0.000 0.474 741 V N 2.533 121.877 119.914 -0.950 0.000 2.267 741 V HA 0.101 4.221 4.120 -0.000 0.000 0.254 741 V C 0.698 176.429 176.094 -0.604 0.000 1.144 741 V CA -0.393 61.510 62.300 -0.662 0.000 0.992 741 V CB -0.252 31.319 31.823 -0.420 0.000 1.199 741 V HN 0.721 nan 8.190 nan 0.000 0.493 742 W N 1.745 122.776 121.300 -0.448 0.000 2.392 742 W HA -0.167 4.493 4.660 -0.000 0.000 0.279 742 W C 2.520 178.826 176.519 -0.356 0.000 1.225 742 W CA 0.823 57.810 57.345 -0.596 0.000 1.233 742 W CB -0.347 28.391 29.460 -1.203 0.000 1.122 742 W HN 0.663 nan 8.180 nan 0.000 0.561 743 S N 0.678 116.332 115.700 -0.077 0.000 2.474 743 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 743 S C 1.701 176.265 174.600 -0.059 0.000 0.997 743 S CA 0.821 58.996 58.200 -0.042 0.000 0.949 743 S CB -0.403 62.772 63.200 -0.041 0.000 0.766 743 S HN 0.396 nan 8.310 nan 0.000 0.517 744 R N 0.601 121.027 120.500 -0.124 0.000 2.299 744 R HA 0.259 4.599 4.340 -0.000 0.000 0.197 744 R C 1.692 177.925 176.300 -0.112 0.000 0.971 744 R CA 0.270 56.276 56.100 -0.156 0.000 1.030 744 R CB -0.365 29.737 30.300 -0.331 0.000 0.932 744 R HN 0.479 nan 8.270 nan 0.000 0.477 745 I N 1.865 122.410 120.570 -0.042 0.000 2.151 745 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 745 I C -0.790 175.350 176.117 0.038 0.000 1.080 745 I CA 1.309 62.625 61.300 0.027 0.000 1.339 745 I CB -0.901 37.159 38.000 0.100 0.000 1.039 745 I HN 0.157 nan 8.210 nan 0.000 0.409 746 P HA -0.186 nan 4.420 nan 0.000 0.218 746 P C 1.030 178.360 177.300 0.049 0.000 1.146 746 P CA 1.562 64.690 63.100 0.046 0.000 0.813 746 P CB -0.141 31.583 31.700 0.041 0.000 0.778 747 K N -0.563 119.864 120.400 0.044 0.000 2.400 747 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 747 K C 2.025 178.693 176.600 0.112 0.000 1.033 747 K CA 0.553 56.890 56.287 0.084 0.000 1.021 747 K CB -0.256 32.319 32.500 0.125 0.000 0.808 747 K HN 0.302 nan 8.250 nan 0.000 0.505 748 I N -1.449 119.158 120.570 0.061 0.000 2.761 748 I HA -0.067 4.103 4.170 -0.000 0.000 0.261 748 I C 1.081 177.246 176.117 0.080 0.000 1.198 748 I CA 1.178 62.520 61.300 0.070 0.000 1.482 748 I CB -0.102 37.892 38.000 -0.009 0.000 1.100 748 I HN -0.175 nan 8.210 nan 0.000 0.445 749 D N 1.903 122.349 120.400 0.076 0.000 2.218 749 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 749 D C 1.925 178.265 176.300 0.068 0.000 0.976 749 D CA 0.977 55.022 54.000 0.074 0.000 0.853 749 D CB 0.013 40.857 40.800 0.073 0.000 0.939 749 D HN 0.188 nan 8.370 nan 0.000 0.481 750 K N 0.093 120.534 120.400 0.068 0.000 2.296 750 K HA 0.151 4.471 4.320 -0.000 0.000 0.200 750 K C 0.680 177.312 176.600 0.053 0.000 1.048 750 K CA -0.120 56.201 56.287 0.057 0.000 0.966 750 K CB -0.080 32.452 32.500 0.052 0.000 0.754 750 K HN 0.222 nan 8.250 nan 0.000 0.466 751 I N 3.343 123.955 120.570 0.069 0.000 2.452 751 I HA 0.079 4.249 4.170 -0.000 0.000 0.287 751 I C -2.086 174.061 176.117 0.050 0.000 1.079 751 I CA -2.233 59.100 61.300 0.055 0.000 1.387 751 I CB 0.864 38.912 38.000 0.081 0.000 1.404 751 I HN -0.022 nan 8.210 nan 0.000 0.522 752 P HA 0.296 nan 4.420 nan 0.000 0.252 752 P C -0.954 176.404 177.300 0.096 0.000 1.727 752 P CA -0.006 63.131 63.100 0.060 0.000 1.134 752 P CB 0.250 31.980 31.700 0.050 0.000 1.876 753 A N 0.000 122.878 122.820 0.097 0.000 2.254 753 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 753 A CA 0.000 52.144 52.037 0.178 0.000 0.836 753 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486