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_D 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 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 28 S N 0.014 115.694 115.700 -0.033 0.000 4.103 28 S HA -0.047 4.423 4.470 0.001 0.000 0.440 28 S C 0.494 175.058 174.600 -0.060 0.000 0.807 28 S CA -0.007 58.166 58.200 -0.045 0.000 1.028 28 S CB -1.454 61.723 63.200 -0.038 0.000 0.663 28 S HN 0.241 nan 8.310 nan 0.000 0.646 29 L N 0.068 121.249 121.223 -0.070 0.000 2.585 29 L HA 0.396 4.737 4.340 0.001 0.000 0.226 29 L C 1.367 178.162 176.870 -0.124 0.000 1.113 29 L CA 0.535 55.329 54.840 -0.076 0.000 0.876 29 L CB -0.128 41.898 42.059 -0.054 0.000 1.072 29 L HN 0.630 nan 8.230 nan 0.000 0.468 30 A N 1.459 124.153 122.820 -0.209 0.000 2.407 30 A HA 0.414 4.734 4.320 0.001 0.000 0.248 30 A C -2.000 175.426 177.584 -0.264 0.000 1.082 30 A CA -0.957 50.836 52.037 -0.407 0.000 0.785 30 A CB -0.510 17.963 19.000 -0.878 0.000 1.020 30 A HN -0.021 nan 8.150 nan 0.000 0.489 31 P HA 0.088 nan 4.420 nan 0.000 0.268 31 P C 0.235 177.503 177.300 -0.053 0.000 1.204 31 P CA 0.055 63.109 63.100 -0.077 0.000 0.768 31 P CB 0.837 32.533 31.700 -0.006 0.000 0.842 32 E N 2.559 122.742 120.200 -0.029 0.000 2.209 32 E HA -0.235 4.115 4.350 0.001 0.000 0.196 32 E C 1.068 177.680 176.600 0.020 0.000 0.993 32 E CA 1.680 58.074 56.400 -0.009 0.000 0.819 32 E CB -0.375 29.320 29.700 -0.009 0.000 0.745 32 E HN 0.494 nan 8.360 nan 0.000 0.477 33 D N -0.935 119.484 120.400 0.031 0.000 2.378 33 D HA 0.002 4.642 4.640 0.001 0.000 0.227 33 D C 1.286 177.634 176.300 0.081 0.000 1.012 33 D CA 0.826 54.854 54.000 0.046 0.000 0.905 33 D CB -0.486 40.335 40.800 0.036 0.000 0.895 33 D HN 0.264 nan 8.370 nan 0.000 0.532 34 G N 0.366 109.254 108.800 0.147 0.000 2.198 34 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 34 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 34 G C 0.862 175.871 174.900 0.181 0.000 1.025 34 G CA 0.846 46.094 45.100 0.246 0.000 0.769 34 G HN 0.765 nan 8.290 nan 0.000 0.507 35 S N 0.049 115.860 115.700 0.185 0.000 2.631 35 S HA 0.077 4.547 4.470 0.001 0.000 0.217 35 S C 1.815 176.481 174.600 0.111 0.000 0.958 35 S CA 0.770 59.028 58.200 0.097 0.000 0.920 35 S CB -0.373 62.867 63.200 0.066 0.000 0.776 35 S HN 0.906 nan 8.310 nan 0.000 0.517 36 H N 0.646 119.722 119.070 0.010 0.000 2.512 36 H HA 0.304 4.860 4.556 0.000 0.000 0.279 36 H C 0.730 176.069 175.328 0.018 0.000 0.999 36 H CA 0.158 56.213 56.048 0.012 0.000 1.283 36 H CB -0.269 29.499 29.762 0.010 0.000 1.421 36 H HN 0.332 nan 8.280 nan 0.000 0.554 37 R N 2.497 122.695 120.500 -0.503 0.000 2.338 37 R HA 0.370 4.711 4.340 0.001 0.000 0.317 37 R C -2.638 173.571 176.300 -0.152 0.000 0.968 37 R CA -2.261 53.615 56.100 -0.373 0.000 0.849 37 R CB 0.892 30.862 30.300 -0.551 0.000 1.128 37 R HN 0.097 nan 8.270 nan 0.000 0.448 38 P HA 0.172 nan 4.420 nan 0.000 0.271 38 P C -1.050 176.239 177.300 -0.018 0.000 1.218 38 P CA -0.408 62.679 63.100 -0.022 0.000 0.780 38 P CB 1.027 32.738 31.700 0.018 0.000 0.901 39 A N 2.526 125.344 122.820 -0.004 0.000 2.462 39 A HA 0.437 4.757 4.320 0.001 0.000 0.243 39 A C 0.813 178.405 177.584 0.014 0.000 1.076 39 A CA -0.072 51.965 52.037 0.001 0.000 0.773 39 A CB -0.293 18.710 19.000 0.005 0.000 1.010 39 A HN 0.566 nan 8.150 nan 0.000 0.493 40 A N 2.328 125.156 122.820 0.014 0.000 3.091 40 A HA 0.519 4.839 4.320 0.001 0.000 0.264 40 A C 0.202 177.802 177.584 0.027 0.000 1.673 40 A CA 0.322 52.373 52.037 0.023 0.000 1.362 40 A CB -0.841 18.170 19.000 0.019 0.000 1.137 40 A HN 0.997 nan 8.150 nan 0.000 0.617 41 E N 0.385 120.603 120.200 0.030 0.000 2.390 41 E HA 0.547 4.898 4.350 0.001 0.000 0.280 41 E C -3.319 173.301 176.600 0.033 0.000 0.992 41 E CA -1.756 54.663 56.400 0.031 0.000 0.790 41 E CB 1.406 31.120 29.700 0.023 0.000 1.248 41 E HN 0.028 nan 8.360 nan 0.000 0.447 42 P HA 0.141 nan 4.420 nan 0.000 0.263 42 P C -0.935 176.373 177.300 0.012 0.000 1.195 42 P CA 0.157 63.270 63.100 0.022 0.000 0.762 42 P CB 0.486 32.187 31.700 0.002 0.000 0.799 43 T N 0.929 115.487 114.554 0.007 0.000 2.916 43 T HA 0.619 4.970 4.350 0.001 0.000 0.305 43 T C -3.035 171.640 174.700 -0.041 0.000 1.119 43 T CA -2.662 59.437 62.100 -0.003 0.000 1.008 43 T CB 1.699 70.571 68.868 0.006 0.000 1.129 43 T HN 0.041 nan 8.240 nan 0.000 0.480 44 P HA 0.339 nan 4.420 nan 0.000 0.272 44 P C -2.739 174.435 177.300 -0.211 0.000 1.223 44 P CA -1.514 61.451 63.100 -0.225 0.000 0.784 44 P CB -0.961 30.670 31.700 -0.115 0.000 0.923 45 P HA 0.027 nan 4.420 nan 0.000 0.261 45 P C 1.118 178.372 177.300 -0.076 0.000 1.183 45 P CA 1.458 64.462 63.100 -0.160 0.000 0.761 45 P CB -0.296 31.303 31.700 -0.168 0.000 0.785 46 G N 2.897 111.681 108.800 -0.027 0.000 2.205 46 G HA2 -0.351 3.609 3.960 0.001 0.000 0.261 46 G HA3 -0.351 3.609 3.960 0.001 0.000 0.261 46 G C 1.152 176.050 174.900 -0.003 0.000 0.980 46 G CA 0.433 45.530 45.100 -0.006 0.000 0.632 46 G HN 0.676 nan 8.290 nan 0.000 0.533 47 A N -0.874 121.939 122.820 -0.010 0.000 1.968 47 A HA 0.401 4.721 4.320 0.001 0.000 0.217 47 A C 1.377 178.964 177.584 0.006 0.000 1.169 47 A CA 2.071 54.107 52.037 -0.002 0.000 0.638 47 A CB -0.036 18.962 19.000 -0.004 0.000 0.812 47 A HN 0.607 nan 8.150 nan 0.000 0.446 48 Q N -1.074 118.732 119.800 0.011 0.000 2.495 48 Q HA 0.450 4.791 4.340 0.001 0.000 0.287 48 Q C -3.002 173.012 176.000 0.023 0.000 1.078 48 Q CA -2.240 53.572 55.803 0.016 0.000 0.793 48 Q CB 0.477 29.227 28.738 0.020 0.000 1.459 48 Q HN 0.047 nan 8.270 nan 0.000 0.422 49 P HA 0.041 nan 4.420 nan 0.000 0.268 49 P C -0.253 177.075 177.300 0.048 0.000 1.205 49 P CA 0.085 63.198 63.100 0.022 0.000 0.771 49 P CB 0.243 31.953 31.700 0.015 0.000 0.858 50 T N -0.413 114.169 114.554 0.048 0.000 2.813 50 T HA 0.622 4.972 4.350 0.001 0.000 0.297 50 T C 0.032 174.815 174.700 0.138 0.000 1.036 50 T CA -0.483 61.694 62.100 0.129 0.000 1.044 50 T CB 0.723 69.614 68.868 0.039 0.000 0.993 50 T HN 0.596 nan 8.240 nan 0.000 0.535 51 A N 1.263 124.257 122.820 0.290 0.000 2.602 51 A HA 0.768 5.088 4.320 0.001 0.000 0.290 51 A C -3.074 174.760 177.584 0.416 0.000 1.114 51 A CA -1.980 50.207 52.037 0.249 0.000 0.683 51 A CB 0.424 19.521 19.000 0.163 0.000 1.281 51 A HN 0.653 nan 8.150 nan 0.000 0.416 52 P HA 0.100 nan 4.420 nan 0.000 0.263 52 P C 1.254 178.701 177.300 0.245 0.000 1.175 52 P CA 1.067 64.370 63.100 0.338 0.000 0.761 52 P CB 0.512 32.337 31.700 0.208 0.000 0.794 53 G N 2.482 111.393 108.800 0.184 0.000 2.476 53 G HA2 -0.317 3.643 3.960 0.001 0.000 0.218 53 G HA3 -0.317 3.643 3.960 0.001 0.000 0.218 53 G C 1.591 176.508 174.900 0.029 0.000 1.164 53 G CA 1.195 46.316 45.100 0.035 0.000 0.768 53 G HN 0.595 nan 8.290 nan 0.000 0.560 54 S N 0.070 115.791 115.700 0.035 0.000 2.447 54 S HA 0.112 4.582 4.470 0.001 0.000 0.233 54 S C 2.236 176.854 174.600 0.030 0.000 1.006 54 S CA 0.975 59.182 58.200 0.012 0.000 0.957 54 S CB -0.188 63.013 63.200 0.002 0.000 0.773 54 S HN 0.329 nan 8.310 nan 0.000 0.507 55 L N -0.129 121.127 121.223 0.056 0.000 2.298 55 L HA 0.261 4.602 4.340 0.001 0.000 0.209 55 L C 2.673 179.574 176.870 0.051 0.000 1.084 55 L CA 0.840 55.712 54.840 0.053 0.000 0.816 55 L CB -0.324 41.773 42.059 0.065 0.000 0.967 55 L HN 0.248 nan 8.230 nan 0.000 0.460 56 K N 1.378 121.819 120.400 0.069 0.000 2.116 56 K HA 0.045 4.365 4.320 0.001 0.000 0.203 56 K C 0.688 177.317 176.600 0.048 0.000 1.052 56 K CA 1.225 57.553 56.287 0.068 0.000 0.952 56 K CB 0.162 32.721 32.500 0.098 0.000 0.729 56 K HN 0.145 nan 8.250 nan 0.000 0.446 57 A N 0.720 123.560 122.820 0.034 0.000 3.370 57 A HA 0.354 4.674 4.320 0.001 0.000 0.295 57 A C -2.233 175.356 177.584 0.008 0.000 1.030 57 A CA -1.013 51.040 52.037 0.028 0.000 0.883 57 A CB 0.626 19.646 19.000 0.033 0.000 1.191 57 A HN 0.123 nan 8.150 nan 0.000 0.507 58 P HA -0.123 nan 4.420 nan 0.000 0.219 58 P C 0.167 177.460 177.300 -0.012 0.000 1.146 58 P CA 1.259 64.357 63.100 -0.003 0.000 0.808 58 P CB 0.306 32.008 31.700 0.004 0.000 0.779 59 D N -1.223 119.175 120.400 -0.004 0.000 2.339 59 D HA 0.018 4.658 4.640 0.001 0.000 0.217 59 D C 0.219 176.509 176.300 -0.018 0.000 1.050 59 D CA 0.567 54.562 54.000 -0.009 0.000 0.856 59 D CB -0.388 40.414 40.800 0.003 0.000 0.922 59 D HN 0.102 nan 8.370 nan 0.000 0.518 60 T N 2.707 117.247 114.554 -0.023 0.000 2.739 60 T HA 0.312 4.662 4.350 0.001 0.000 0.298 60 T C 0.414 175.070 174.700 -0.074 0.000 0.929 60 T CA -0.456 61.617 62.100 -0.045 0.000 1.014 60 T CB 1.012 69.853 68.868 -0.046 0.000 0.914 60 T HN -0.174 nan 8.240 nan 0.000 0.509 61 R N 2.972 123.422 120.500 -0.084 0.000 2.867 61 R HA 0.681 5.022 4.340 0.001 0.000 0.268 61 R C -0.391 175.847 176.300 -0.104 0.000 1.014 61 R CA -1.028 55.015 56.100 -0.095 0.000 0.946 61 R CB 1.721 31.974 30.300 -0.079 0.000 1.208 61 R HN 0.803 nan 8.270 nan 0.000 0.477 62 N N -2.448 116.192 118.700 -0.100 0.000 3.020 62 N HA 0.043 4.783 4.740 0.001 0.000 0.248 62 N C 0.223 175.685 175.510 -0.081 0.000 1.480 62 N CA -0.741 52.261 53.050 -0.080 0.000 0.874 62 N CB 0.758 39.225 38.487 -0.033 0.000 1.433 62 N HN 0.553 nan 8.380 nan 0.000 0.530 63 E N -0.120 120.047 120.200 -0.056 0.000 2.085 63 E HA -0.276 4.074 4.350 0.001 0.000 0.194 63 E C 1.070 177.599 176.600 -0.119 0.000 0.994 63 E CA 1.490 57.852 56.400 -0.064 0.000 0.801 63 E CB 0.068 29.754 29.700 -0.023 0.000 0.743 63 E HN 0.496 nan 8.360 nan 0.000 0.453 64 K N 0.716 121.011 120.400 -0.174 0.000 2.057 64 K HA -0.078 4.242 4.320 0.001 0.000 0.206 64 K C 2.113 178.554 176.600 -0.266 0.000 1.050 64 K CA 1.167 57.261 56.287 -0.320 0.000 0.935 64 K CB -0.403 31.743 32.500 -0.591 0.000 0.715 64 K HN 0.196 nan 8.250 nan 0.000 0.439 65 L N 0.845 121.925 121.223 -0.240 0.000 2.046 65 L HA -0.209 4.132 4.340 0.001 0.000 0.208 65 L C 1.846 178.604 176.870 -0.186 0.000 1.077 65 L CA 1.280 55.956 54.840 -0.273 0.000 0.747 65 L CB -0.572 41.318 42.059 -0.282 0.000 0.896 65 L HN 0.260 nan 8.230 nan 0.000 0.432 66 N N -0.415 118.200 118.700 -0.141 0.000 2.244 66 N HA -0.141 4.599 4.740 0.001 0.000 0.183 66 N C 2.052 177.504 175.510 -0.097 0.000 1.016 66 N CA 1.577 54.566 53.050 -0.103 0.000 0.866 66 N CB -0.324 38.115 38.487 -0.080 0.000 0.980 66 N HN 0.358 nan 8.380 nan 0.000 0.430 67 S N 0.183 115.815 115.700 -0.114 0.000 2.481 67 S HA 0.049 4.520 4.470 0.001 0.000 0.231 67 S C 1.739 176.277 174.600 -0.103 0.000 0.996 67 S CA 0.337 58.476 58.200 -0.101 0.000 0.942 67 S CB -0.381 62.752 63.200 -0.111 0.000 0.768 67 S HN 0.233 nan 8.310 nan 0.000 0.520 68 L N 0.677 121.825 121.223 -0.124 0.000 2.554 68 L HA 0.234 4.574 4.340 0.001 0.000 0.226 68 L C 2.551 179.373 176.870 -0.080 0.000 1.137 68 L CA 0.447 55.221 54.840 -0.109 0.000 0.863 68 L CB -0.327 41.650 42.059 -0.136 0.000 0.985 68 L HN 0.265 nan 8.230 nan 0.000 0.451 69 E N 1.066 121.222 120.200 -0.073 0.000 2.209 69 E HA -0.257 4.093 4.350 0.001 0.000 0.196 69 E C 1.729 178.305 176.600 -0.040 0.000 0.993 69 E CA 1.451 57.820 56.400 -0.051 0.000 0.819 69 E CB -0.051 29.621 29.700 -0.046 0.000 0.745 69 E HN 0.555 nan 8.360 nan 0.000 0.477 70 D N -0.461 119.914 120.400 -0.041 0.000 2.263 70 D HA -0.147 4.493 4.640 0.001 0.000 0.208 70 D C 1.583 177.863 176.300 -0.033 0.000 0.971 70 D CA 1.631 55.610 54.000 -0.034 0.000 0.867 70 D CB -0.238 40.541 40.800 -0.035 0.000 0.929 70 D HN 0.304 nan 8.370 nan 0.000 0.492 71 V N -3.544 116.349 119.914 -0.036 0.000 3.528 71 V HA 0.334 4.454 4.120 0.001 0.000 0.294 71 V C 0.880 176.961 176.094 -0.022 0.000 1.404 71 V CA -0.702 61.580 62.300 -0.030 0.000 1.065 71 V CB -0.465 31.340 31.823 -0.031 0.000 0.904 71 V HN -0.157 nan 8.190 nan 0.000 0.435 72 R N 2.025 122.511 120.500 -0.022 0.000 2.537 72 R HA 0.400 4.740 4.340 0.001 0.000 0.280 72 R C -0.170 176.125 176.300 -0.008 0.000 1.058 72 R CA 0.118 56.213 56.100 -0.009 0.000 1.057 72 R CB 0.700 30.996 30.300 -0.008 0.000 0.973 72 R HN 0.361 nan 8.270 nan 0.000 0.438 73 K N 1.212 121.612 120.400 -0.001 0.000 2.323 73 K HA 0.327 4.647 4.320 0.001 0.000 0.259 73 K C -0.088 176.519 176.600 0.013 0.000 0.947 73 K CA -0.426 55.849 56.287 -0.020 0.000 0.819 73 K CB 1.803 34.282 32.500 -0.035 0.000 1.109 73 K HN 0.737 nan 8.250 nan 0.000 0.429 74 G N 0.400 109.217 108.800 0.028 0.000 2.509 74 G HA2 0.265 4.226 3.960 0.001 0.000 0.269 74 G HA3 0.265 4.226 3.960 0.001 0.000 0.269 74 G C 0.330 175.318 174.900 0.147 0.000 1.416 74 G CA 0.166 45.337 45.100 0.119 0.000 1.052 74 G HN 0.700 nan 8.290 nan 0.000 0.542 75 S N -2.642 113.221 115.700 0.271 0.000 2.501 75 S HA 0.123 4.593 4.470 0.001 0.000 0.250 75 S C 0.215 174.983 174.600 0.281 0.000 0.959 75 S CA -0.170 58.195 58.200 0.275 0.000 1.250 75 S CB 0.029 63.310 63.200 0.136 0.000 0.933 75 S HN 0.513 nan 8.310 nan 0.000 0.420 76 E N 3.142 123.433 120.200 0.153 0.000 2.415 76 E HA 0.253 4.604 4.350 0.001 0.000 0.263 76 E C -0.287 176.228 176.600 -0.141 0.000 0.995 76 E CA 0.166 56.583 56.400 0.029 0.000 0.915 76 E CB 0.043 29.752 29.700 0.014 0.000 0.951 76 E HN 0.379 nan 8.360 nan 0.000 0.449 77 N N 0.797 119.421 118.700 -0.127 0.000 2.800 77 N HA -0.212 4.529 4.740 0.001 0.000 0.250 77 N C -1.180 174.150 175.510 -0.300 0.000 1.078 77 N CA 1.155 54.077 53.050 -0.213 0.000 0.804 77 N CB -1.454 36.871 38.487 -0.270 0.000 1.135 77 N HN 0.385 nan 8.380 nan 0.000 0.565 78 Y N 0.460 120.765 120.300 0.009 0.000 2.457 78 Y HA 0.653 5.204 4.550 0.001 0.000 0.333 78 Y C 0.886 176.789 175.900 0.004 0.000 1.119 78 Y CA -0.633 57.471 58.100 0.007 0.000 1.143 78 Y CB 1.098 39.562 38.460 0.007 0.000 1.230 78 Y HN 0.125 nan 8.280 nan 0.000 0.469 79 A N 2.393 125.328 122.820 0.193 0.000 2.371 79 A HA 0.427 4.747 4.320 0.001 0.000 0.257 79 A C -0.793 176.842 177.584 0.085 0.000 1.089 79 A CA -0.507 51.591 52.037 0.102 0.000 0.794 79 A CB 0.112 19.159 19.000 0.078 0.000 1.029 79 A HN 0.720 nan 8.150 nan 0.000 0.488 80 L N 2.841 124.094 121.223 0.050 0.000 2.360 80 L HA 0.532 4.872 4.340 0.001 0.000 0.276 80 L C 0.622 177.501 176.870 0.016 0.000 1.121 80 L CA 0.995 55.851 54.840 0.027 0.000 0.845 80 L CB 0.535 42.601 42.059 0.013 0.000 1.143 80 L HN 0.910 nan 8.230 nan 0.000 0.452 81 T N 0.343 114.900 114.554 0.006 0.000 2.864 81 T HA 0.676 5.026 4.350 0.001 0.000 0.289 81 T C 0.222 174.922 174.700 0.001 0.000 1.082 81 T CA -0.169 61.937 62.100 0.009 0.000 1.009 81 T CB 1.074 69.949 68.868 0.012 0.000 1.234 81 T HN 0.774 nan 8.240 nan 0.000 0.526 82 T N 0.091 114.659 114.554 0.023 0.000 2.732 82 T HA 0.257 4.608 4.350 0.001 0.000 0.287 82 T C 1.005 175.718 174.700 0.021 0.000 0.993 82 T CA -0.561 61.559 62.100 0.033 0.000 0.966 82 T CB -0.043 68.886 68.868 0.101 0.000 1.047 82 T HN 0.557 nan 8.240 nan 0.000 0.527 83 N N 0.399 119.113 118.700 0.024 0.000 2.512 83 N HA -0.049 4.692 4.740 0.001 0.000 0.183 83 N C 1.570 177.094 175.510 0.023 0.000 1.073 83 N CA 0.475 53.531 53.050 0.009 0.000 0.911 83 N CB -0.126 38.371 38.487 0.017 0.000 0.964 83 N HN 0.544 nan 8.380 nan 0.000 0.447 84 Q N -0.581 119.246 119.800 0.045 0.000 2.360 84 Q HA 0.190 4.530 4.340 0.001 0.000 0.202 84 Q C 0.877 176.897 176.000 0.032 0.000 0.915 84 Q CA 0.251 56.078 55.803 0.040 0.000 0.943 84 Q CB 0.470 29.238 28.738 0.050 0.000 1.064 84 Q HN 0.393 nan 8.270 nan 0.000 0.511 85 G N 0.381 109.199 108.800 0.029 0.000 2.141 85 G HA2 -0.230 3.731 3.960 0.001 0.000 0.231 85 G HA3 -0.230 3.731 3.960 0.001 0.000 0.231 85 G C 0.076 174.999 174.900 0.039 0.000 0.984 85 G CA 0.094 45.207 45.100 0.021 0.000 0.660 85 G HN 0.212 nan 8.290 nan 0.000 0.525 86 V N 1.918 121.871 119.914 0.065 0.000 2.432 86 V HA 0.352 4.472 4.120 0.001 0.000 0.271 86 V C 1.324 177.458 176.094 0.066 0.000 1.046 86 V CA -0.492 61.860 62.300 0.086 0.000 0.945 86 V CB 0.982 32.902 31.823 0.162 0.000 0.992 86 V HN 0.408 nan 8.190 nan 0.000 0.471 87 R N 4.383 124.915 120.500 0.053 0.000 2.623 87 R HA 0.342 4.682 4.340 0.001 0.000 0.271 87 R C -0.499 175.817 176.300 0.027 0.000 1.043 87 R CA -0.013 56.109 56.100 0.037 0.000 1.083 87 R CB 0.483 30.804 30.300 0.035 0.000 0.974 87 R HN 0.575 nan 8.270 nan 0.000 0.436 88 I N 1.939 122.513 120.570 0.007 0.000 2.359 88 I HA 0.142 4.312 4.170 0.001 0.000 0.294 88 I C 0.881 176.990 176.117 -0.014 0.000 0.987 88 I CA 0.030 61.319 61.300 -0.019 0.000 1.225 88 I CB 1.917 39.894 38.000 -0.037 0.000 1.366 88 I HN 0.774 nan 8.210 nan 0.000 0.466 89 A N 3.964 126.771 122.820 -0.020 0.000 1.924 89 A HA 0.037 4.357 4.320 0.001 0.000 0.211 89 A C 0.625 178.195 177.584 -0.023 0.000 1.198 89 A CA 0.829 52.857 52.037 -0.015 0.000 0.657 89 A CB 0.086 19.080 19.000 -0.010 0.000 0.852 89 A HN 0.671 nan 8.150 nan 0.000 0.454 90 D N -0.497 119.881 120.400 -0.036 0.000 2.440 90 D HA 0.333 4.973 4.640 0.001 0.000 0.252 90 D C -1.307 174.962 176.300 -0.051 0.000 1.180 90 D CA -0.361 53.616 54.000 -0.039 0.000 0.894 90 D CB 1.208 41.986 40.800 -0.037 0.000 1.111 90 D HN 0.049 nan 8.370 nan 0.000 0.544 91 D N 2.023 122.395 120.400 -0.046 0.000 2.395 91 D HA 0.048 4.688 4.640 0.001 0.000 0.226 91 D C 0.684 176.953 176.300 -0.052 0.000 1.146 91 D CA 0.286 54.254 54.000 -0.053 0.000 0.830 91 D CB 0.521 41.295 40.800 -0.044 0.000 0.958 91 D HN 0.244 nan 8.370 nan 0.000 0.501 92 Q N -0.668 119.103 119.800 -0.048 0.000 2.317 92 Q HA 0.254 4.595 4.340 0.001 0.000 0.220 92 Q C -0.105 175.866 176.000 -0.048 0.000 0.873 92 Q CA 0.239 56.014 55.803 -0.046 0.000 0.936 92 Q CB 0.740 29.456 28.738 -0.037 0.000 1.105 92 Q HN 0.191 nan 8.270 nan 0.000 0.520 93 N N 0.070 118.739 118.700 -0.050 0.000 2.242 93 N HA 0.324 5.065 4.740 0.001 0.000 0.292 93 N C -0.968 174.509 175.510 -0.055 0.000 1.125 93 N CA -0.249 52.773 53.050 -0.048 0.000 0.783 93 N CB 2.141 40.605 38.487 -0.039 0.000 1.558 93 N HN -0.177 nan 8.380 nan 0.000 0.472 94 S N 0.715 116.385 115.700 -0.050 0.000 2.617 94 S HA 0.309 4.779 4.470 0.001 0.000 0.269 94 S C 0.095 174.670 174.600 -0.041 0.000 1.292 94 S CA -0.579 57.591 58.200 -0.050 0.000 1.010 94 S CB 0.789 63.965 63.200 -0.039 0.000 0.944 94 S HN 0.390 nan 8.310 nan 0.000 0.536 95 L N 3.481 124.679 121.223 -0.041 0.000 2.319 95 L HA 0.423 4.763 4.340 0.001 0.000 0.280 95 L C 0.064 176.926 176.870 -0.013 0.000 1.099 95 L CA 0.407 55.232 54.840 -0.026 0.000 0.828 95 L CB -0.123 41.923 42.059 -0.022 0.000 1.150 95 L HN 0.722 nan 8.230 nan 0.000 0.442 96 R N 4.168 124.662 120.500 -0.009 0.000 2.836 96 R HA 0.850 5.190 4.340 0.001 0.000 0.269 96 R C -1.114 175.185 176.300 -0.001 0.000 1.010 96 R CA -0.837 55.260 56.100 -0.005 0.000 0.930 96 R CB 1.130 31.425 30.300 -0.008 0.000 1.218 96 R HN 0.580 nan 8.270 nan 0.000 0.473 97 A N 1.282 124.103 122.820 0.001 0.000 2.807 97 A HA 0.578 4.898 4.320 0.001 0.000 0.307 97 A C 0.588 178.172 177.584 0.001 0.000 1.532 97 A CA 0.348 52.387 52.037 0.003 0.000 1.215 97 A CB -0.983 18.019 19.000 0.005 0.000 1.127 97 A HN 1.224 nan 8.150 nan 0.000 0.543 98 G N 0.957 109.757 108.800 -0.001 0.000 2.675 98 G HA2 0.063 4.023 3.960 0.001 0.000 0.686 98 G HA3 0.063 4.023 3.960 0.001 0.000 0.686 98 G C 0.690 175.587 174.900 -0.004 0.000 1.215 98 G CA 0.146 45.245 45.100 -0.002 0.000 0.777 98 G HN 1.785 nan 8.290 nan 0.000 0.638 99 S N -0.188 115.508 115.700 -0.006 0.000 2.474 99 S HA -0.022 4.448 4.470 0.001 0.000 0.235 99 S C 1.619 176.214 174.600 -0.008 0.000 0.997 99 S CA 1.501 59.696 58.200 -0.008 0.000 0.949 99 S CB 0.044 63.239 63.200 -0.008 0.000 0.766 99 S HN 0.743 nan 8.310 nan 0.000 0.517 100 R N 0.816 121.312 120.500 -0.007 0.000 2.546 100 R HA 0.331 4.671 4.340 0.001 0.000 0.320 100 R C 0.960 177.257 176.300 -0.005 0.000 1.021 100 R CA 0.093 56.189 56.100 -0.007 0.000 1.088 100 R CB 0.724 31.020 30.300 -0.006 0.000 1.278 100 R HN 0.460 nan 8.270 nan 0.000 0.557 101 G N 1.747 110.544 108.800 -0.005 0.000 2.537 101 G HA2 0.339 4.300 3.960 0.001 0.000 0.297 101 G HA3 0.339 4.300 3.960 0.001 0.000 0.297 101 G C -2.349 172.549 174.900 -0.003 0.000 1.310 101 G CA -1.043 44.056 45.100 -0.003 0.000 1.027 101 G HN -0.097 nan 8.290 nan 0.000 0.505 102 P HA 0.203 nan 4.420 nan 0.000 0.274 102 P C -0.182 177.118 177.300 -0.000 0.000 1.231 102 P CA -0.043 63.057 63.100 -0.000 0.000 0.790 102 P CB 0.730 32.432 31.700 0.003 0.000 0.951 103 T N 2.551 117.104 114.554 -0.001 0.000 2.907 103 T HA 0.289 4.640 4.350 0.001 0.000 0.298 103 T C 0.473 175.176 174.700 0.006 0.000 1.017 103 T CA -0.184 61.915 62.100 -0.001 0.000 1.118 103 T CB 0.039 68.904 68.868 -0.005 0.000 0.948 103 T HN 0.184 nan 8.240 nan 0.000 0.531 104 L N 3.394 124.622 121.223 0.009 0.000 2.343 104 L HA 0.333 4.673 4.340 0.001 0.000 0.275 104 L C 1.380 178.266 176.870 0.027 0.000 1.056 104 L CA -0.812 54.039 54.840 0.018 0.000 0.804 104 L CB 0.851 42.923 42.059 0.022 0.000 1.203 104 L HN 0.500 nan 8.230 nan 0.000 0.440 105 L N 2.093 123.336 121.223 0.032 0.000 2.191 105 L HA -0.179 4.161 4.340 0.001 0.000 0.212 105 L C 2.262 179.170 176.870 0.063 0.000 1.103 105 L CA 1.603 56.468 54.840 0.042 0.000 0.769 105 L CB -0.583 41.498 42.059 0.037 0.000 0.908 105 L HN 0.795 nan 8.230 nan 0.000 0.438 106 E N -1.584 118.658 120.200 0.069 0.000 2.511 106 E HA -0.155 4.195 4.350 0.001 0.000 0.196 106 E C 0.177 176.871 176.600 0.158 0.000 1.066 106 E CA 0.125 56.591 56.400 0.111 0.000 0.871 106 E CB -0.453 29.304 29.700 0.095 0.000 0.863 106 E HN 0.340 nan 8.360 nan 0.000 0.520 107 D N 1.248 121.699 120.400 0.085 0.000 2.455 107 D HA -0.044 4.596 4.640 0.001 0.000 0.234 107 D C 0.457 176.765 176.300 0.012 0.000 1.224 107 D CA -0.478 53.528 54.000 0.011 0.000 0.999 107 D CB -0.161 40.617 40.800 -0.037 0.000 1.072 107 D HN 0.316 nan 8.370 nan 0.000 0.514 108 F N 1.993 121.951 119.950 0.014 0.000 2.407 108 F HA 0.074 4.602 4.527 0.001 0.000 0.299 108 F C 1.592 177.403 175.800 0.019 0.000 1.097 108 F CA 0.166 58.177 58.000 0.018 0.000 1.422 108 F CB -0.610 38.400 39.000 0.016 0.000 1.067 108 F HN 0.186 nan 8.300 nan 0.000 0.539 109 I N 0.341 120.472 120.570 -0.731 0.000 2.233 109 I HA -0.192 3.978 4.170 0.001 0.000 0.243 109 I C 2.480 178.482 176.117 -0.192 0.000 1.093 109 I CA 1.020 62.033 61.300 -0.477 0.000 1.380 109 I CB -0.506 37.160 38.000 -0.556 0.000 1.067 109 I HN 0.279 nan 8.210 nan 0.000 0.413 110 L N 1.105 122.232 121.223 -0.161 0.000 1.989 110 L HA -0.203 4.138 4.340 0.001 0.000 0.211 110 L C 2.628 179.485 176.870 -0.021 0.000 1.071 110 L CA 1.890 56.683 54.840 -0.078 0.000 0.749 110 L CB -0.578 41.442 42.059 -0.064 0.000 0.890 110 L HN 0.054 nan 8.230 nan 0.000 0.431 111 R N -0.633 119.871 120.500 0.008 0.000 2.092 111 R HA -0.171 4.169 4.340 0.001 0.000 0.231 111 R C 2.302 178.654 176.300 0.087 0.000 1.119 111 R CA 1.495 57.631 56.100 0.060 0.000 0.970 111 R CB -0.334 30.015 30.300 0.082 0.000 0.864 111 R HN 0.609 nan 8.270 nan 0.000 0.440 112 E N 1.150 121.402 120.200 0.086 0.000 2.072 112 E HA -0.220 4.130 4.350 0.001 0.000 0.191 112 E C 1.914 178.586 176.600 0.119 0.000 0.985 112 E CA 1.143 57.612 56.400 0.114 0.000 0.801 112 E CB 0.131 29.900 29.700 0.115 0.000 0.750 112 E HN 0.133 nan 8.360 nan 0.000 0.452 113 K N 0.274 120.714 120.400 0.066 0.000 2.026 113 K HA -0.135 4.185 4.320 0.001 0.000 0.208 113 K C 2.110 178.783 176.600 0.121 0.000 1.048 113 K CA 1.355 57.681 56.287 0.065 0.000 0.929 113 K CB -0.013 32.483 32.500 -0.006 0.000 0.713 113 K HN 0.150 nan 8.250 nan 0.000 0.439 114 I N 1.177 121.802 120.570 0.091 0.000 2.353 114 I HA -0.174 3.996 4.170 0.001 0.000 0.248 114 I C 2.106 178.352 176.117 0.214 0.000 1.119 114 I CA 1.295 62.675 61.300 0.133 0.000 1.417 114 I CB -1.373 36.668 38.000 0.069 0.000 1.078 114 I HN 0.231 nan 8.210 nan 0.000 0.421 115 T N -0.296 114.373 114.554 0.193 0.000 2.746 115 T HA -0.216 4.134 4.350 0.001 0.000 0.267 115 T C 1.965 176.838 174.700 0.288 0.000 1.039 115 T CA 1.380 63.624 62.100 0.240 0.000 1.142 115 T CB -0.399 68.595 68.868 0.210 0.000 0.866 115 T HN 0.344 nan 8.240 nan 0.000 0.444 116 H N -0.153 119.024 119.070 0.179 0.000 2.353 116 H HA -0.063 4.493 4.556 0.000 0.000 0.300 116 H C 2.192 177.604 175.328 0.139 0.000 1.090 116 H CA 1.494 57.632 56.048 0.149 0.000 1.327 116 H CB -0.388 29.434 29.762 0.100 0.000 1.383 116 H HN 0.396 nan 8.280 nan 0.000 0.508 117 F N 2.077 122.105 119.950 0.129 0.000 2.095 117 F HA -0.196 4.331 4.527 0.000 0.000 0.298 117 F C 2.001 177.767 175.800 -0.056 0.000 1.104 117 F CA 1.735 59.758 58.000 0.037 0.000 1.232 117 F CB -0.358 38.655 39.000 0.022 0.000 0.987 117 F HN 0.054 nan 8.300 nan 0.000 0.475 118 D N -1.074 119.284 120.400 -0.070 0.000 2.221 118 D HA -0.166 4.475 4.640 0.001 0.000 0.204 118 D C 1.312 177.265 176.300 -0.578 0.000 0.982 118 D CA 1.300 55.094 54.000 -0.342 0.000 0.857 118 D CB -0.416 40.209 40.800 -0.291 0.000 0.934 118 D HN 0.491 nan 8.370 nan 0.000 0.475 119 H N -0.181 118.776 119.070 -0.189 0.000 2.469 119 H HA 0.215 4.771 4.556 0.001 0.000 0.286 119 H C 1.000 176.171 175.328 -0.262 0.000 1.106 119 H CA -0.064 55.868 56.048 -0.194 0.000 1.055 119 H CB 0.511 30.172 29.762 -0.169 0.000 1.618 119 H HN 0.291 nan 8.280 nan 0.000 0.559 120 E N 0.561 120.605 120.200 -0.261 0.000 2.152 120 E HA -0.042 4.308 4.350 0.001 0.000 0.192 120 E C 0.543 176.994 176.600 -0.247 0.000 0.983 120 E CA 0.484 56.705 56.400 -0.298 0.000 0.818 120 E CB 0.462 29.966 29.700 -0.326 0.000 0.758 120 E HN 0.152 nan 8.360 nan 0.000 0.467 121 R N 1.238 121.645 120.500 -0.154 0.000 2.490 121 R HA 0.344 4.685 4.340 0.001 0.000 0.278 121 R C 0.479 176.816 176.300 0.062 0.000 1.069 121 R CA -0.172 55.908 56.100 -0.033 0.000 1.080 121 R CB 0.559 30.830 30.300 -0.049 0.000 1.030 121 R HN 0.179 nan 8.270 nan 0.000 0.491 122 I N -1.184 119.483 120.570 0.161 0.000 3.002 122 I HA 0.593 4.764 4.170 0.001 0.000 0.310 122 I C -2.252 173.929 176.117 0.108 0.000 1.087 122 I CA -2.966 58.423 61.300 0.148 0.000 1.017 122 I CB 1.890 40.010 38.000 0.200 0.000 1.226 122 I HN 0.248 nan 8.210 nan 0.000 0.443 123 P HA 0.098 nan 4.420 nan 0.000 0.265 123 P C -0.891 176.442 177.300 0.056 0.000 1.193 123 P CA -0.031 63.101 63.100 0.053 0.000 0.765 123 P CB 0.409 32.131 31.700 0.037 0.000 0.823 124 E N 2.681 122.915 120.200 0.056 0.000 2.371 124 E HA 0.204 4.555 4.350 0.001 0.000 0.257 124 E C -0.466 176.162 176.600 0.047 0.000 1.134 124 E CA -0.874 55.564 56.400 0.063 0.000 0.919 124 E CB 0.634 30.375 29.700 0.069 0.000 1.025 124 E HN 0.252 nan 8.360 nan 0.000 0.438 125 R N 0.746 121.279 120.500 0.054 0.000 2.640 125 R HA -0.016 4.325 4.340 0.001 0.000 0.270 125 R C 1.098 177.431 176.300 0.055 0.000 1.024 125 R CA -0.062 56.066 56.100 0.048 0.000 1.085 125 R CB 0.160 30.506 30.300 0.077 0.000 0.963 125 R HN 0.638 nan 8.270 nan 0.000 0.426 126 I N 2.942 123.537 120.570 0.043 0.000 2.286 126 I HA -0.180 3.990 4.170 0.001 0.000 0.248 126 I C 0.382 176.548 176.117 0.081 0.000 1.115 126 I CA 1.378 62.711 61.300 0.054 0.000 1.392 126 I CB 0.381 38.411 38.000 0.050 0.000 1.065 126 I HN 0.411 nan 8.210 nan 0.000 0.418 127 V N -3.371 116.624 119.914 0.134 0.000 3.040 127 V HA 0.474 4.595 4.120 0.001 0.000 0.312 127 V C 0.117 176.372 176.094 0.269 0.000 1.115 127 V CA -0.782 61.628 62.300 0.183 0.000 0.998 127 V CB 1.428 33.444 31.823 0.323 0.000 1.042 127 V HN 0.392 nan 8.190 nan 0.000 0.433 128 H N 0.377 119.509 119.070 0.103 0.000 2.862 128 H HA -0.219 4.338 4.556 0.000 0.000 0.290 128 H C 1.537 176.911 175.328 0.076 0.000 1.211 128 H CA 0.802 56.905 56.048 0.091 0.000 1.140 128 H CB -1.178 28.628 29.762 0.075 0.000 1.341 128 H HN 1.174 nan 8.280 nan 0.000 0.392 129 A N 0.732 123.636 122.820 0.140 0.000 2.019 129 A HA -0.106 4.215 4.320 0.001 0.000 0.219 129 A C 1.696 179.365 177.584 0.142 0.000 1.164 129 A CA 1.318 53.428 52.037 0.122 0.000 0.644 129 A CB -0.073 18.979 19.000 0.086 0.000 0.805 129 A HN 0.274 nan 8.150 nan 0.000 0.449 130 R N 0.137 120.721 120.500 0.139 0.000 2.196 130 R HA 0.512 4.852 4.340 0.001 0.000 0.340 130 R C -0.145 176.277 176.300 0.203 0.000 1.043 130 R CA 0.738 56.940 56.100 0.169 0.000 0.883 130 R CB 0.295 30.680 30.300 0.141 0.000 1.078 130 R HN 0.315 nan 8.270 nan 0.000 0.462 131 G N 0.864 109.809 108.800 0.242 0.000 2.698 131 G HA2 0.501 4.461 3.960 0.001 0.000 0.293 131 G HA3 0.501 4.461 3.960 0.001 0.000 0.293 131 G C -1.603 173.452 174.900 0.258 0.000 1.437 131 G CA -0.599 44.616 45.100 0.190 0.000 0.852 131 G HN 0.484 nan 8.290 nan 0.000 0.499 132 S N -0.961 114.844 115.700 0.175 0.000 2.538 132 S HA 0.884 5.354 4.470 0.001 0.000 0.288 132 S C -0.111 174.508 174.600 0.032 0.000 1.108 132 S CA -0.160 58.196 58.200 0.261 0.000 0.971 132 S CB 1.717 65.185 63.200 0.447 0.000 1.041 132 S HN 1.515 nan 8.310 nan 0.000 0.483 133 A N 1.642 124.440 122.820 -0.038 0.000 2.479 133 A HA 1.034 5.355 4.320 0.001 0.000 0.296 133 A C -0.890 176.496 177.584 -0.330 0.000 1.121 133 A CA -0.728 51.078 52.037 -0.385 0.000 0.743 133 A CB 1.606 20.213 19.000 -0.655 0.000 1.323 133 A HN 1.294 nan 8.150 nan 0.000 0.415 134 A N 0.316 122.777 122.820 -0.598 0.000 2.609 134 A HA 0.733 5.054 4.320 0.001 0.000 0.291 134 A C -1.142 176.227 177.584 -0.358 0.000 1.096 134 A CA -0.639 51.204 52.037 -0.325 0.000 0.684 134 A CB 0.787 19.699 19.000 -0.148 0.000 1.282 134 A HN 0.875 nan 8.150 nan 0.000 0.412 135 H N -0.414 118.662 119.070 0.009 0.000 2.482 135 H HA 0.690 5.246 4.556 0.000 0.000 0.344 135 H C 0.552 175.875 175.328 -0.007 0.000 1.151 135 H CA 0.806 56.924 56.048 0.116 0.000 1.300 135 H CB 1.878 31.711 29.762 0.119 0.000 1.494 135 H HN 1.130 nan 8.280 nan 0.000 0.542 136 G N 0.680 109.579 108.800 0.164 0.000 2.570 136 G HA2 0.374 4.335 3.960 0.001 0.000 0.310 136 G HA3 0.374 4.335 3.960 0.001 0.000 0.310 136 G C -2.053 172.976 174.900 0.216 0.000 1.266 136 G CA -0.687 44.468 45.100 0.091 0.000 0.825 136 G HN 0.617 nan 8.290 nan 0.000 0.483 137 Y N -1.741 118.593 120.300 0.056 0.000 2.597 137 Y HA 0.838 5.389 4.550 0.000 0.000 0.340 137 Y C -1.741 174.290 175.900 0.219 0.000 1.097 137 Y CA -1.942 56.236 58.100 0.130 0.000 1.037 137 Y CB 1.939 40.449 38.460 0.084 0.000 1.305 137 Y HN 0.775 nan 8.280 nan 0.000 0.463 138 F N 2.141 122.223 119.950 0.219 0.000 2.563 138 F HA 0.711 5.238 4.527 0.001 0.000 0.316 138 F C -1.242 174.743 175.800 0.309 0.000 1.076 138 F CA -0.631 57.504 58.000 0.225 0.000 0.921 138 F CB 2.388 41.640 39.000 0.421 0.000 1.209 138 F HN 0.786 nan 8.300 nan 0.000 0.462 139 Q N 6.414 125.663 119.800 -0.918 0.000 2.295 139 Q HA 0.437 4.777 4.340 0.001 0.000 0.268 139 Q C -2.919 172.476 176.000 -1.009 0.000 1.010 139 Q CA -2.332 53.093 55.803 -0.631 0.000 0.856 139 Q CB 2.961 31.609 28.738 -0.151 0.000 1.349 139 Q HN 0.339 nan 8.270 nan 0.000 0.412 140 P HA 0.043 nan 4.420 nan 0.000 0.275 140 P C -0.464 176.694 177.300 -0.236 0.000 1.228 140 P CA 0.164 63.024 63.100 -0.400 0.000 0.786 140 P CB 0.549 32.183 31.700 -0.110 0.000 0.927 141 Y N 1.159 121.398 120.300 -0.101 0.000 2.314 141 Y HA -0.076 4.474 4.550 0.001 0.000 0.293 141 Y C 1.468 177.341 175.900 -0.044 0.000 1.129 141 Y CA 0.594 58.656 58.100 -0.062 0.000 1.201 141 Y CB 0.173 38.604 38.460 -0.049 0.000 0.999 141 Y HN 0.377 nan 8.280 nan 0.000 0.541 142 K N -1.239 119.220 120.400 0.098 0.000 2.555 142 K HA 0.399 4.720 4.320 0.001 0.000 0.279 142 K C -0.915 175.690 176.600 0.008 0.000 0.986 142 K CA -0.940 55.376 56.287 0.049 0.000 0.880 142 K CB 1.488 34.018 32.500 0.050 0.000 1.474 142 K HN -0.249 nan 8.250 nan 0.000 0.433 143 S N 0.826 116.529 115.700 0.004 0.000 2.549 143 S HA 0.149 4.619 4.470 0.001 0.000 0.286 143 S C 0.380 174.970 174.600 -0.017 0.000 1.314 143 S CA -0.596 57.597 58.200 -0.011 0.000 1.062 143 S CB -0.161 63.036 63.200 -0.005 0.000 0.865 143 S HN 0.557 nan 8.310 nan 0.000 0.498 144 L N 4.664 125.866 121.223 -0.034 0.000 2.872 144 L HA 0.177 4.517 4.340 0.001 0.000 0.245 144 L C 1.840 178.696 176.870 -0.024 0.000 1.211 144 L CA -0.198 54.629 54.840 -0.022 0.000 1.013 144 L CB -0.194 41.856 42.059 -0.016 0.000 1.326 144 L HN 0.620 nan 8.230 nan 0.000 0.525 145 S N 0.339 116.022 115.700 -0.027 0.000 2.420 145 S HA -0.191 4.280 4.470 0.001 0.000 0.237 145 S C 1.329 175.914 174.600 -0.025 0.000 1.023 145 S CA 1.488 59.671 58.200 -0.028 0.000 0.991 145 S CB -0.105 63.083 63.200 -0.019 0.000 0.792 145 S HN 0.509 nan 8.310 nan 0.000 0.488 146 D N 1.232 121.622 120.400 -0.017 0.000 2.219 146 D HA -0.027 4.613 4.640 0.001 0.000 0.205 146 D C 1.707 177.993 176.300 -0.024 0.000 0.970 146 D CA 0.922 54.912 54.000 -0.016 0.000 0.851 146 D CB -0.131 40.664 40.800 -0.008 0.000 0.943 146 D HN 0.652 nan 8.370 nan 0.000 0.488 147 I N -4.089 116.468 120.570 -0.021 0.000 4.323 147 I HA 0.231 4.402 4.170 0.001 0.000 0.328 147 I C 0.452 176.532 176.117 -0.061 0.000 1.310 147 I CA -0.029 61.250 61.300 -0.034 0.000 1.186 147 I CB 1.113 39.112 38.000 -0.001 0.000 1.130 147 I HN -0.250 nan 8.210 nan 0.000 0.411 148 T N 1.502 116.022 114.554 -0.057 0.000 2.932 148 T HA 0.340 4.690 4.350 0.001 0.000 0.318 148 T C -0.146 174.505 174.700 -0.082 0.000 1.265 148 T CA -0.692 61.356 62.100 -0.087 0.000 1.036 148 T CB 1.847 70.655 68.868 -0.100 0.000 1.209 148 T HN 0.418 nan 8.240 nan 0.000 0.484 149 K N 2.209 122.559 120.400 -0.084 0.000 2.387 149 K HA 0.595 4.915 4.320 0.001 0.000 0.198 149 K C 0.736 177.301 176.600 -0.058 0.000 1.022 149 K CA -0.372 55.878 56.287 -0.062 0.000 1.128 149 K CB 0.311 32.779 32.500 -0.052 0.000 0.853 149 K HN 0.503 nan 8.250 nan 0.000 0.523 150 A N 2.181 124.944 122.820 -0.094 0.000 2.545 150 A HA -0.070 4.250 4.320 0.001 0.000 0.253 150 A C 0.592 178.143 177.584 -0.055 0.000 1.074 150 A CA 0.137 52.128 52.037 -0.076 0.000 0.760 150 A CB 0.031 18.922 19.000 -0.182 0.000 1.005 150 A HN 0.445 nan 8.150 nan 0.000 0.506 151 D N 2.163 122.601 120.400 0.063 0.000 2.149 151 D HA -0.233 4.408 4.640 0.001 0.000 0.198 151 D C 1.371 177.747 176.300 0.128 0.000 0.990 151 D CA 2.289 56.342 54.000 0.088 0.000 0.839 151 D CB -0.245 40.629 40.800 0.122 0.000 0.948 151 D HN 0.742 nan 8.370 nan 0.000 0.460 152 F N -0.716 119.254 119.950 0.033 0.000 2.546 152 F HA 0.137 4.664 4.527 0.001 0.000 0.298 152 F C 1.120 177.009 175.800 0.147 0.000 1.120 152 F CA 0.415 58.476 58.000 0.102 0.000 1.456 152 F CB -0.225 38.833 39.000 0.097 0.000 1.088 152 F HN -0.057 nan 8.300 nan 0.000 0.572 153 L N 0.778 121.708 121.223 -0.488 0.000 2.857 153 L HA 0.192 4.532 4.340 0.001 0.000 0.249 153 L C 1.908 178.690 176.870 -0.146 0.000 1.172 153 L CA 0.353 54.971 54.840 -0.370 0.000 0.980 153 L CB -0.057 41.671 42.059 -0.552 0.000 1.299 153 L HN 0.324 nan 8.230 nan 0.000 0.535 154 S N -2.439 113.218 115.700 -0.072 0.000 2.528 154 S HA 0.048 4.518 4.470 0.001 0.000 0.219 154 S C 0.389 174.986 174.600 -0.004 0.000 0.985 154 S CA -0.094 58.087 58.200 -0.031 0.000 0.914 154 S CB 0.183 63.377 63.200 -0.009 0.000 0.776 154 S HN 0.341 nan 8.310 nan 0.000 0.526 155 D N 0.484 120.891 120.400 0.012 0.000 2.977 155 D HA 0.343 4.983 4.640 0.001 0.000 0.220 155 D C -2.580 173.736 176.300 0.026 0.000 1.267 155 D CA -1.838 52.175 54.000 0.022 0.000 0.884 155 D CB 2.157 42.978 40.800 0.035 0.000 1.667 155 D HN -0.189 nan 8.370 nan 0.000 0.536 156 P HA -0.049 nan 4.420 nan 0.000 0.222 156 P C 0.534 177.851 177.300 0.028 0.000 1.147 156 P CA 0.744 63.855 63.100 0.019 0.000 0.790 156 P CB 0.400 32.122 31.700 0.036 0.000 0.780 157 N N -0.502 118.219 118.700 0.036 0.000 2.336 157 N HA -0.000 4.740 4.740 0.001 0.000 0.189 157 N C 0.583 176.125 175.510 0.055 0.000 1.113 157 N CA 0.214 53.288 53.050 0.040 0.000 0.858 157 N CB 0.171 38.677 38.487 0.032 0.000 0.970 157 N HN 0.265 nan 8.380 nan 0.000 0.471 158 K N 1.805 122.248 120.400 0.072 0.000 2.284 158 K HA 0.209 4.530 4.320 0.001 0.000 0.287 158 K C -0.439 176.254 176.600 0.155 0.000 1.081 158 K CA -0.241 56.113 56.287 0.111 0.000 0.910 158 K CB 0.523 33.101 32.500 0.130 0.000 1.088 158 K HN -0.114 nan 8.250 nan 0.000 0.478 159 I N 3.829 124.492 120.570 0.154 0.000 2.353 159 I HA 0.148 4.318 4.170 0.001 0.000 0.293 159 I C 0.067 176.353 176.117 0.283 0.000 0.992 159 I CA -0.375 61.051 61.300 0.210 0.000 1.268 159 I CB 1.587 39.655 38.000 0.114 0.000 1.387 159 I HN 0.555 nan 8.210 nan 0.000 0.478 160 T N 7.726 122.535 114.554 0.424 0.000 2.786 160 T HA 0.371 4.722 4.350 0.001 0.000 0.283 160 T C -2.459 172.492 174.700 0.418 0.000 0.992 160 T CA -1.358 61.005 62.100 0.439 0.000 0.954 160 T CB 1.767 70.995 68.868 0.599 0.000 0.934 160 T HN 0.294 nan 8.240 nan 0.000 0.440 161 P HA 0.278 nan 4.420 nan 0.000 0.269 161 P C -0.622 176.912 177.300 0.390 0.000 1.209 161 P CA -0.433 62.853 63.100 0.310 0.000 0.776 161 P CB 0.542 32.341 31.700 0.164 0.000 0.876 162 V N -0.240 119.851 119.914 0.294 0.000 3.102 162 V HA 0.750 4.871 4.120 0.001 0.000 0.312 162 V C -1.419 174.834 176.094 0.265 0.000 1.135 162 V CA -0.963 61.419 62.300 0.136 0.000 1.022 162 V CB 2.270 33.965 31.823 -0.214 0.000 1.056 162 V HN 0.325 nan 8.190 nan 0.000 0.436 163 F N 2.083 122.017 119.950 -0.027 0.000 2.536 163 F HA 0.833 5.360 4.527 0.001 0.000 0.322 163 F C -0.897 174.812 175.800 -0.152 0.000 1.144 163 F CA -0.714 57.218 58.000 -0.114 0.000 0.924 163 F CB 1.885 40.834 39.000 -0.085 0.000 1.181 163 F HN 0.538 nan 8.300 nan 0.000 0.438 164 V N 6.526 126.001 119.914 -0.732 0.000 2.555 164 V HA 0.597 4.717 4.120 0.001 0.000 0.302 164 V C -0.667 174.791 176.094 -1.060 0.000 1.038 164 V CA -0.846 60.961 62.300 -0.822 0.000 0.887 164 V CB 2.037 33.318 31.823 -0.904 0.000 0.991 164 V HN 0.727 nan 8.190 nan 0.000 0.434 165 R N 3.220 123.091 120.500 -1.049 0.000 2.513 165 R HA 0.633 4.973 4.340 0.001 0.000 0.301 165 R C -1.735 173.965 176.300 -1.000 0.000 0.968 165 R CA -0.423 55.150 56.100 -0.878 0.000 0.872 165 R CB 1.256 31.228 30.300 -0.547 0.000 1.177 165 R HN 0.551 nan 8.270 nan 0.000 0.444 166 F N 1.854 121.409 119.950 -0.659 0.000 2.470 166 F HA 0.562 5.090 4.527 0.001 0.000 0.329 166 F C 0.446 175.906 175.800 -0.567 0.000 1.072 166 F CA -0.289 57.197 58.000 -0.857 0.000 0.989 166 F CB 2.209 40.190 39.000 -1.699 0.000 1.193 166 F HN 0.617 nan 8.300 nan 0.000 0.481 167 S N -0.991 114.642 115.700 -0.111 0.000 2.643 167 S HA 0.698 5.169 4.470 0.001 0.000 0.270 167 S C -0.681 174.056 174.600 0.229 0.000 1.166 167 S CA -0.893 57.381 58.200 0.122 0.000 0.815 167 S CB 1.424 64.745 63.200 0.201 0.000 1.139 167 S HN 0.716 nan 8.310 nan 0.000 0.472 168 T N -1.634 113.041 114.554 0.201 0.000 2.880 168 T HA 0.693 5.043 4.350 0.001 0.000 0.279 168 T C 0.849 175.491 174.700 -0.096 0.000 0.990 168 T CA -0.358 61.818 62.100 0.127 0.000 0.938 168 T CB 0.667 69.617 68.868 0.137 0.000 1.206 168 T HN 0.530 nan 8.240 nan 0.000 0.573 169 V N 0.200 120.018 119.914 -0.159 0.000 2.627 169 V HA 0.072 4.192 4.120 0.001 0.000 0.239 169 V C 2.837 178.833 176.094 -0.162 0.000 1.077 169 V CA 0.924 62.999 62.300 -0.374 0.000 1.103 169 V CB -0.598 31.134 31.823 -0.151 0.000 0.802 169 V HN 0.956 nan 8.190 nan 0.000 0.482 170 Q N 0.620 120.369 119.800 -0.085 0.000 2.089 170 Q HA 0.084 4.424 4.340 0.001 0.000 0.195 170 Q C 1.369 177.340 176.000 -0.049 0.000 0.963 170 Q CA 1.056 56.812 55.803 -0.077 0.000 0.834 170 Q CB -0.219 28.460 28.738 -0.098 0.000 0.906 170 Q HN 0.609 nan 8.270 nan 0.000 0.452 171 G N 0.102 108.887 108.800 -0.026 0.000 2.614 171 G HA2 0.330 4.290 3.960 0.001 0.000 0.239 171 G HA3 0.330 4.290 3.960 0.001 0.000 0.239 171 G C 0.187 175.089 174.900 0.004 0.000 1.240 171 G CA -0.018 45.074 45.100 -0.014 0.000 0.842 171 G HN 0.382 nan 8.290 nan 0.000 0.584 172 G N -0.921 107.879 108.800 0.000 0.000 2.653 172 G HA2 0.474 4.434 3.960 0.001 0.000 0.265 172 G HA3 0.474 4.434 3.960 0.001 0.000 0.265 172 G C 1.346 176.272 174.900 0.045 0.000 1.237 172 G CA 0.426 45.536 45.100 0.017 0.000 0.946 172 G HN 1.101 nan 8.290 nan 0.000 0.522 173 A N -0.952 121.905 122.820 0.062 0.000 2.070 173 A HA 0.155 4.476 4.320 0.001 0.000 0.220 173 A C 2.206 179.828 177.584 0.063 0.000 1.159 173 A CA 1.910 54.003 52.037 0.093 0.000 0.656 173 A CB -0.345 18.729 19.000 0.122 0.000 0.800 173 A HN 1.092 nan 8.150 nan 0.000 0.453 174 G N -0.156 108.662 108.800 0.030 0.000 3.284 174 G HA2 0.328 4.289 3.960 0.001 0.000 0.236 174 G HA3 0.328 4.289 3.960 0.001 0.000 0.236 174 G C 0.710 175.610 174.900 -0.000 0.000 1.158 174 G CA 0.652 45.755 45.100 0.005 0.000 0.774 174 G HN 0.645 nan 8.290 nan 0.000 0.545 175 S N -0.210 115.498 115.700 0.013 0.000 2.661 175 S HA 0.747 5.218 4.470 0.001 0.000 0.265 175 S C 0.427 175.038 174.600 0.017 0.000 1.225 175 S CA -0.079 58.125 58.200 0.006 0.000 0.986 175 S CB 1.586 64.791 63.200 0.007 0.000 1.008 175 S HN 0.545 nan 8.310 nan 0.000 0.565 176 A N 0.061 122.886 122.820 0.008 0.000 2.302 176 A HA 0.476 4.797 4.320 0.001 0.000 0.285 176 A C 0.529 178.129 177.584 0.027 0.000 1.105 176 A CA -0.622 51.416 52.037 0.002 0.000 0.816 176 A CB 0.036 19.017 19.000 -0.031 0.000 1.067 176 A HN 0.852 nan 8.150 nan 0.000 0.489 177 D N 0.404 120.808 120.400 0.007 0.000 2.120 177 D HA -0.057 4.584 4.640 0.001 0.000 0.202 177 D C 1.572 177.845 176.300 -0.046 0.000 0.972 177 D CA 2.237 56.253 54.000 0.027 0.000 0.837 177 D CB -0.219 40.551 40.800 -0.050 0.000 0.989 177 D HN 0.668 nan 8.370 nan 0.000 0.469 178 T N -0.026 114.417 114.554 -0.184 0.000 3.418 178 T HA 0.291 4.642 4.350 0.001 0.000 0.239 178 T C 0.807 175.480 174.700 -0.044 0.000 0.905 178 T CA -0.578 61.414 62.100 -0.179 0.000 0.929 178 T CB -0.994 67.684 68.868 -0.315 0.000 1.121 178 T HN -0.085 nan 8.240 nan 0.000 0.608 179 V N -1.265 118.676 119.914 0.044 0.000 3.319 179 V HA 0.453 4.573 4.120 0.001 0.000 0.303 179 V C 0.689 176.911 176.094 0.212 0.000 1.094 179 V CA -1.432 60.940 62.300 0.120 0.000 1.106 179 V CB 0.484 32.371 31.823 0.107 0.000 1.099 179 V HN 0.560 nan 8.190 nan 0.000 0.476 180 R N 2.096 122.778 120.500 0.303 0.000 2.205 180 R HA 0.464 4.804 4.340 0.001 0.000 0.342 180 R C -0.654 175.740 176.300 0.157 0.000 1.058 180 R CA -0.210 56.048 56.100 0.264 0.000 0.904 180 R CB 0.263 30.700 30.300 0.228 0.000 1.089 180 R HN 0.925 nan 8.270 nan 0.000 0.471 181 Q N 3.434 123.334 119.800 0.167 0.000 2.687 181 Q HA 0.274 4.614 4.340 0.001 0.000 0.295 181 Q C -0.711 175.406 176.000 0.195 0.000 0.920 181 Q CA -0.872 55.018 55.803 0.145 0.000 0.766 181 Q CB 1.496 30.306 28.738 0.120 0.000 1.467 181 Q HN 0.506 nan 8.270 nan 0.000 0.415 182 I N 1.578 122.280 120.570 0.220 0.000 2.696 182 I HA 0.191 4.361 4.170 0.001 0.000 0.284 182 I C 0.519 176.779 176.117 0.239 0.000 1.129 182 I CA 0.070 61.507 61.300 0.227 0.000 1.410 182 I CB 0.018 38.176 38.000 0.263 0.000 1.399 182 I HN 0.277 nan 8.210 nan 0.000 0.579 183 R N 3.026 123.685 120.500 0.265 0.000 2.664 183 R HA 0.578 4.918 4.340 0.001 0.000 0.286 183 R C -0.026 176.468 176.300 0.323 0.000 0.967 183 R CA -0.778 55.495 56.100 0.288 0.000 0.933 183 R CB 1.493 31.977 30.300 0.306 0.000 1.146 183 R HN 0.801 nan 8.270 nan 0.000 0.468 184 G N 0.826 109.834 108.800 0.347 0.000 2.448 184 G HA2 0.477 4.438 3.960 0.001 0.000 0.285 184 G HA3 0.477 4.438 3.960 0.001 0.000 0.285 184 G C -1.287 173.686 174.900 0.121 0.000 1.176 184 G CA -0.062 45.199 45.100 0.269 0.000 0.852 184 G HN 0.348 nan 8.290 nan 0.000 0.530 185 F N 1.908 121.762 119.950 -0.161 0.000 2.949 185 F HA 0.638 5.165 4.527 0.000 0.000 0.376 185 F C -0.179 175.339 175.800 -0.470 0.000 1.205 185 F CA -1.807 56.006 58.000 -0.311 0.000 1.155 185 F CB 1.004 39.934 39.000 -0.117 0.000 1.495 185 F HN 0.659 nan 8.300 nan 0.000 0.551 186 A N 3.248 125.806 122.820 -0.436 0.000 2.318 186 A HA 0.803 5.123 4.320 0.001 0.000 0.324 186 A C -0.604 176.564 177.584 -0.694 0.000 1.170 186 A CA -0.440 51.184 52.037 -0.688 0.000 0.810 186 A CB 0.867 19.091 19.000 -1.294 0.000 1.198 186 A HN 0.525 nan 8.150 nan 0.000 0.484 187 T N 2.223 116.537 114.554 -0.399 0.000 2.812 187 T HA 0.401 4.751 4.350 0.001 0.000 0.282 187 T C -0.408 174.147 174.700 -0.242 0.000 0.990 187 T CA -0.486 61.400 62.100 -0.357 0.000 0.960 187 T CB 1.144 69.743 68.868 -0.447 0.000 0.948 187 T HN 0.625 nan 8.240 nan 0.000 0.438 188 K N 3.295 123.605 120.400 -0.151 0.000 2.263 188 K HA 0.473 4.793 4.320 0.001 0.000 0.272 188 K C -1.298 174.988 176.600 -0.524 0.000 1.033 188 K CA -0.606 55.489 56.287 -0.320 0.000 0.884 188 K CB 0.382 32.604 32.500 -0.463 0.000 1.107 188 K HN 0.395 nan 8.250 nan 0.000 0.460 189 F N 4.185 123.852 119.950 -0.471 0.000 2.391 189 F HA 0.246 4.773 4.527 0.000 0.000 0.359 189 F C -0.417 175.190 175.800 -0.321 0.000 1.122 189 F CA -0.572 57.218 58.000 -0.350 0.000 1.120 189 F CB 0.737 39.441 39.000 -0.493 0.000 1.142 189 F HN 0.436 nan 8.300 nan 0.000 0.483 190 Y N 1.854 122.207 120.300 0.088 0.000 2.714 190 Y HA 0.229 4.780 4.550 0.000 0.000 0.333 190 Y C 1.028 176.978 175.900 0.083 0.000 1.220 190 Y CA -0.848 57.285 58.100 0.055 0.000 1.513 190 Y CB -0.116 38.367 38.460 0.038 0.000 1.435 190 Y HN 0.556 nan 8.280 nan 0.000 0.489 191 T N -2.416 112.228 114.554 0.150 0.000 2.847 191 T HA 0.173 4.523 4.350 0.001 0.000 0.279 191 T C 0.988 175.774 174.700 0.143 0.000 0.984 191 T CA -0.683 61.508 62.100 0.151 0.000 0.988 191 T CB 1.100 70.028 68.868 0.101 0.000 1.040 191 T HN 0.642 nan 8.240 nan 0.000 0.528 192 E N -0.074 120.215 120.200 0.149 0.000 2.418 192 E HA -0.027 4.323 4.350 0.001 0.000 0.197 192 E C 1.054 177.715 176.600 0.102 0.000 1.026 192 E CA 0.644 57.115 56.400 0.119 0.000 0.862 192 E CB 0.138 29.907 29.700 0.115 0.000 0.799 192 E HN 0.725 nan 8.360 nan 0.000 0.518 193 E N -0.001 120.261 120.200 0.104 0.000 2.651 193 E HA 0.250 4.601 4.350 0.001 0.000 0.208 193 E C 0.022 176.663 176.600 0.069 0.000 0.997 193 E CA -0.256 56.197 56.400 0.089 0.000 1.020 193 E CB 1.352 31.109 29.700 0.094 0.000 1.052 193 E HN 0.177 nan 8.360 nan 0.000 0.465 194 G N 1.085 109.920 108.800 0.058 0.000 2.362 194 G HA2 -0.096 3.865 3.960 0.001 0.000 0.656 194 G HA3 -0.096 3.865 3.960 0.001 0.000 0.656 194 G C -1.010 173.889 174.900 -0.001 0.000 1.376 194 G CA -1.124 43.986 45.100 0.016 0.000 0.971 194 G HN 0.005 nan 8.290 nan 0.000 0.636 195 I N 0.813 121.347 120.570 -0.060 0.000 2.496 195 I HA 0.391 4.561 4.170 0.001 0.000 0.285 195 I C 0.098 176.209 176.117 -0.008 0.000 1.080 195 I CA -0.189 61.049 61.300 -0.103 0.000 1.404 195 I CB 0.748 38.616 38.000 -0.219 0.000 1.403 195 I HN 0.454 nan 8.210 nan 0.000 0.539 196 F N 6.735 126.570 119.950 -0.192 0.000 2.426 196 F HA 0.448 4.976 4.527 0.000 0.000 0.348 196 F C -0.517 175.243 175.800 -0.067 0.000 1.124 196 F CA -1.243 56.641 58.000 -0.193 0.000 1.008 196 F CB 0.742 39.458 39.000 -0.474 0.000 1.139 196 F HN 0.349 nan 8.300 nan 0.000 0.452 197 D N 6.574 126.766 120.400 -0.347 0.000 2.303 197 D HA 0.251 4.891 4.640 0.001 0.000 0.236 197 D C -1.003 174.840 176.300 -0.761 0.000 1.068 197 D CA -0.130 53.622 54.000 -0.413 0.000 0.830 197 D CB 2.109 42.863 40.800 -0.077 0.000 1.109 197 D HN 0.491 nan 8.370 nan 0.000 0.496 198 L N 3.974 124.719 121.223 -0.797 0.000 2.272 198 L HA 0.282 4.622 4.340 0.001 0.000 0.284 198 L C -1.074 175.598 176.870 -0.331 0.000 1.045 198 L CA -0.614 53.840 54.840 -0.642 0.000 0.842 198 L CB 1.055 42.750 42.059 -0.607 0.000 1.224 198 L HN 0.084 nan 8.230 nan 0.000 0.430 199 V N 6.024 125.780 119.914 -0.263 0.000 2.270 199 V HA 0.699 4.819 4.120 0.001 0.000 0.263 199 V C 0.846 176.851 176.094 -0.149 0.000 1.066 199 V CA -0.049 62.106 62.300 -0.241 0.000 0.857 199 V CB 0.153 31.806 31.823 -0.284 0.000 1.099 199 V HN 0.849 nan 8.190 nan 0.000 0.476 200 G N 3.218 111.945 108.800 -0.122 0.000 2.820 200 G HA2 0.653 4.613 3.960 0.001 0.000 0.291 200 G HA3 0.653 4.613 3.960 0.001 0.000 0.291 200 G C -0.838 174.081 174.900 0.033 0.000 1.323 200 G CA -0.613 44.463 45.100 -0.039 0.000 1.055 200 G HN 0.478 nan 8.290 nan 0.000 0.520 201 N N -0.935 117.830 118.700 0.107 0.000 2.701 201 N HA 0.240 4.980 4.740 0.001 0.000 0.290 201 N C 0.330 176.010 175.510 0.283 0.000 1.338 201 N CA -0.750 52.423 53.050 0.205 0.000 0.799 201 N CB 1.347 39.955 38.487 0.201 0.000 1.491 201 N HN 0.536 nan 8.380 nan 0.000 0.540 202 N N -1.260 117.627 118.700 0.311 0.000 2.314 202 N HA -0.005 4.735 4.740 0.001 0.000 0.200 202 N C -0.597 175.152 175.510 0.398 0.000 1.135 202 N CA -0.093 53.190 53.050 0.388 0.000 0.835 202 N CB -0.204 38.493 38.487 0.350 0.000 0.989 202 N HN 0.536 nan 8.380 nan 0.000 0.478 203 T N -3.655 110.963 114.554 0.107 0.000 2.909 203 T HA 0.437 4.787 4.350 0.001 0.000 0.299 203 T C -2.641 171.453 174.700 -1.010 0.000 1.073 203 T CA -1.571 60.163 62.100 -0.611 0.000 0.999 203 T CB 2.962 71.376 68.868 -0.757 0.000 1.098 203 T HN -0.244 nan 8.240 nan 0.000 0.477 204 P HA 0.182 nan 4.420 nan 0.000 0.245 204 P C 0.376 177.153 177.300 -0.872 0.000 1.212 204 P CA 0.106 62.300 63.100 -1.510 0.000 0.774 204 P CB -0.100 30.655 31.700 -1.576 0.000 0.999 205 I N -4.541 115.498 120.570 -0.886 0.000 3.174 205 I HA 0.542 4.712 4.170 0.001 0.000 0.313 205 I C -1.296 174.535 176.117 -0.477 0.000 1.155 205 I CA -2.067 58.863 61.300 -0.616 0.000 0.977 205 I CB 1.370 38.972 38.000 -0.663 0.000 1.248 205 I HN -0.256 nan 8.210 nan 0.000 0.453 206 F N 0.812 120.480 119.950 -0.470 0.000 2.557 206 F HA 0.512 5.039 4.527 0.001 0.000 0.336 206 F C 0.461 176.025 175.800 -0.393 0.000 1.058 206 F CA -0.671 57.093 58.000 -0.395 0.000 0.988 206 F CB 1.802 40.684 39.000 -0.196 0.000 1.275 206 F HN 0.401 nan 8.300 nan 0.000 0.488 207 F N 2.066 121.322 119.950 -1.156 0.000 2.259 207 F HA 0.028 4.555 4.527 0.001 0.000 0.298 207 F C 0.704 176.245 175.800 -0.431 0.000 1.088 207 F CA 0.816 58.312 58.000 -0.840 0.000 1.358 207 F CB -0.125 37.988 39.000 -1.478 0.000 1.040 207 F HN 0.142 nan 8.300 nan 0.000 0.505 208 I N -3.187 117.376 120.570 -0.011 0.000 2.957 208 I HA 0.372 4.542 4.170 0.001 0.000 0.310 208 I C 0.406 176.659 176.117 0.228 0.000 1.063 208 I CA -0.818 60.572 61.300 0.149 0.000 1.033 208 I CB 1.834 39.974 38.000 0.233 0.000 1.230 208 I HN -0.139 nan 8.210 nan 0.000 0.447 209 Q N 0.291 120.225 119.800 0.224 0.000 2.324 209 Q HA 0.147 4.487 4.340 0.001 0.000 0.207 209 Q C -0.309 175.854 176.000 0.271 0.000 0.928 209 Q CA 0.552 56.522 55.803 0.277 0.000 0.890 209 Q CB 0.508 29.471 28.738 0.376 0.000 1.001 209 Q HN 0.656 nan 8.270 nan 0.000 0.517 210 D N -1.035 119.500 120.400 0.226 0.000 2.498 210 D HA 0.310 4.951 4.640 0.001 0.000 0.247 210 D C 0.041 176.461 176.300 0.200 0.000 1.070 210 D CA -0.213 53.893 54.000 0.177 0.000 0.842 210 D CB 1.861 42.743 40.800 0.136 0.000 1.361 210 D HN 0.048 nan 8.370 nan 0.000 0.484 211 A N 3.369 126.279 122.820 0.149 0.000 2.024 211 A HA -0.241 4.079 4.320 0.001 0.000 0.220 211 A C 1.793 179.493 177.584 0.193 0.000 1.164 211 A CA 1.678 53.800 52.037 0.142 0.000 0.643 211 A CB -0.777 18.253 19.000 0.050 0.000 0.806 211 A HN 0.820 nan 8.150 nan 0.000 0.451 212 H N 0.057 119.185 119.070 0.097 0.000 2.457 212 H HA -0.038 4.518 4.556 0.000 0.000 0.297 212 H C 1.486 176.890 175.328 0.126 0.000 1.092 212 H CA 1.839 57.938 56.048 0.085 0.000 1.309 212 H CB 0.137 29.927 29.762 0.047 0.000 1.382 212 H HN 0.337 nan 8.280 nan 0.000 0.535 213 K N -0.485 120.046 120.400 0.219 0.000 2.404 213 K HA -0.045 4.275 4.320 0.001 0.000 0.194 213 K C 1.430 178.169 176.600 0.231 0.000 1.023 213 K CA -0.015 56.400 56.287 0.214 0.000 1.094 213 K CB -0.006 32.674 32.500 0.300 0.000 0.841 213 K HN 0.316 nan 8.250 nan 0.000 0.523 214 F N 3.005 123.010 119.950 0.092 0.000 2.095 214 F HA -0.151 4.376 4.527 0.000 0.000 0.298 214 F C -0.943 174.871 175.800 0.023 0.000 1.104 214 F CA 1.446 59.519 58.000 0.122 0.000 1.232 214 F CB -0.495 38.567 39.000 0.103 0.000 0.987 214 F HN 0.036 nan 8.300 nan 0.000 0.475 215 P HA -0.140 nan 4.420 nan 0.000 0.217 215 P C 1.026 178.019 177.300 -0.511 0.000 1.150 215 P CA 1.758 64.624 63.100 -0.389 0.000 0.832 215 P CB -0.058 31.431 31.700 -0.351 0.000 0.787 216 D N -1.282 118.959 120.400 -0.265 0.000 2.084 216 D HA -0.151 4.490 4.640 0.001 0.000 0.196 216 D C 1.830 177.850 176.300 -0.467 0.000 0.985 216 D CA 1.030 54.911 54.000 -0.197 0.000 0.826 216 D CB -0.878 39.973 40.800 0.086 0.000 0.978 216 D HN 0.143 nan 8.370 nan 0.000 0.456 217 F N 1.935 121.484 119.950 -0.669 0.000 2.069 217 F HA -0.240 4.287 4.527 0.000 0.000 0.298 217 F C 2.285 177.705 175.800 -0.633 0.000 1.113 217 F CA 1.215 58.633 58.000 -0.971 0.000 1.214 217 F CB -0.238 38.436 39.000 -0.543 0.000 0.978 217 F HN -0.247 nan 8.300 nan 0.000 0.474 218 V N 0.315 119.835 119.914 -0.657 0.000 2.343 218 V HA -0.351 3.769 4.120 0.001 0.000 0.247 218 V C 2.300 178.184 176.094 -0.351 0.000 1.051 218 V CA 2.465 64.409 62.300 -0.592 0.000 1.036 218 V CB -1.086 30.398 31.823 -0.564 0.000 0.654 218 V HN 0.487 nan 8.190 nan 0.000 0.451 219 H N -0.329 118.517 119.070 -0.374 0.000 2.387 219 H HA -0.120 4.436 4.556 0.000 0.000 0.299 219 H C 2.334 177.518 175.328 -0.241 0.000 1.090 219 H CA 1.044 56.950 56.048 -0.236 0.000 1.332 219 H CB 0.050 29.720 29.762 -0.153 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.415 123.076 122.820 -0.265 0.000 1.933 220 A HA -0.113 4.208 4.320 0.001 0.000 0.218 220 A C 2.512 179.954 177.584 -0.237 0.000 1.175 220 A CA 1.331 53.208 52.037 -0.267 0.000 0.628 220 A CB -0.704 18.011 19.000 -0.476 0.000 0.814 220 A HN 0.295 nan 8.150 nan 0.000 0.444 221 V N -0.123 119.522 119.914 -0.448 0.000 2.591 221 V HA -0.020 4.101 4.120 0.001 0.000 0.249 221 V C 0.947 177.005 176.094 -0.060 0.000 1.053 221 V CA 0.921 63.020 62.300 -0.335 0.000 1.068 221 V CB -0.447 30.978 31.823 -0.663 0.000 0.689 221 V HN 0.352 nan 8.190 nan 0.000 0.462 222 K N 1.003 121.335 120.400 -0.114 0.000 2.187 222 K HA 0.214 4.535 4.320 0.001 0.000 0.247 222 K C -2.289 174.255 176.600 -0.093 0.000 1.019 222 K CA -1.641 54.591 56.287 -0.091 0.000 0.893 222 K CB -0.529 31.909 32.500 -0.104 0.000 1.025 222 K HN 0.157 nan 8.250 nan 0.000 0.500 223 P HA -0.037 nan 4.420 nan 0.000 0.264 223 P C -0.531 176.697 177.300 -0.121 0.000 1.183 223 P CA 0.466 63.422 63.100 -0.240 0.000 0.763 223 P CB 0.265 31.838 31.700 -0.212 0.000 0.807 224 E N 5.525 125.693 120.200 -0.053 0.000 2.413 224 E HA -0.026 4.324 4.350 0.001 0.000 0.263 224 E C -1.233 175.434 176.600 0.112 0.000 1.015 224 E CA -1.230 55.250 56.400 0.134 0.000 0.916 224 E CB 0.101 30.001 29.700 0.332 0.000 0.947 224 E HN 0.426 nan 8.360 nan 0.000 0.440 225 P HA -0.202 nan 4.420 nan 0.000 0.221 225 P C 1.010 178.383 177.300 0.121 0.000 1.150 225 P CA 1.390 64.531 63.100 0.068 0.000 0.800 225 P CB 0.028 31.739 31.700 0.019 0.000 0.787 226 H N -0.808 118.297 119.070 0.058 0.000 2.333 226 H HA -0.076 4.480 4.556 0.000 0.000 0.302 226 H C 1.462 176.885 175.328 0.160 0.000 1.075 226 H CA 1.445 57.514 56.048 0.036 0.000 1.348 226 H CB -1.345 28.366 29.762 -0.085 0.000 1.393 226 H HN 0.305 nan 8.280 nan 0.000 0.509 227 W N -0.072 120.879 121.300 -0.582 0.000 2.870 227 W HA 0.705 5.366 4.660 0.000 0.000 0.358 227 W C 0.418 176.773 176.519 -0.272 0.000 1.043 227 W CA -1.223 55.899 57.345 -0.373 0.000 1.692 227 W CB -0.755 28.457 29.460 -0.412 0.000 1.100 227 W HN 0.433 nan 8.180 nan 0.000 0.557 228 A N 1.306 124.104 122.820 -0.037 0.000 2.578 228 A HA -0.109 4.212 4.320 0.001 0.000 0.298 228 A C -0.488 176.861 177.584 -0.392 0.000 1.472 228 A CA 1.405 53.339 52.037 -0.172 0.000 0.734 228 A CB -2.407 16.522 19.000 -0.118 0.000 1.091 228 A HN 0.480 nan 8.150 nan 0.000 0.426 229 I N 0.578 120.772 120.570 -0.627 0.000 2.722 229 I HA 0.537 4.708 4.170 0.001 0.000 0.295 229 I C -2.511 173.282 176.117 -0.538 0.000 1.161 229 I CA -2.341 58.501 61.300 -0.763 0.000 1.032 229 I CB 3.014 40.118 38.000 -1.493 0.000 1.244 229 I HN 0.220 nan 8.210 nan 0.000 0.421 230 P HA 0.303 nan 4.420 nan 0.000 0.287 230 P C -0.442 176.691 177.300 -0.278 0.000 1.279 230 P CA -0.453 62.430 63.100 -0.362 0.000 0.867 230 P CB 2.054 33.627 31.700 -0.212 0.000 1.127 231 Q N 2.209 121.893 119.800 -0.193 0.000 1.965 231 Q HA -0.005 4.335 4.340 0.001 0.000 0.200 231 Q C 1.669 177.616 176.000 -0.089 0.000 0.981 231 Q CA 2.681 58.403 55.803 -0.136 0.000 0.834 231 Q CB -1.186 27.488 28.738 -0.107 0.000 0.900 231 Q HN 0.684 nan 8.270 nan 0.000 0.426 232 G N -0.667 108.105 108.800 -0.046 0.000 3.519 232 G HA2 0.194 4.154 3.960 0.001 0.000 0.269 232 G HA3 0.194 4.154 3.960 0.001 0.000 0.269 232 G C -0.427 174.481 174.900 0.013 0.000 1.028 232 G CA -0.362 44.729 45.100 -0.015 0.000 0.809 232 G HN 0.097 nan 8.290 nan 0.000 0.521 233 Q N 0.278 120.093 119.800 0.025 0.000 2.377 233 Q HA 0.309 4.649 4.340 0.001 0.000 0.271 233 Q C 0.400 176.437 176.000 0.062 0.000 1.077 233 Q CA -0.448 55.401 55.803 0.078 0.000 0.820 233 Q CB 1.866 30.717 28.738 0.189 0.000 1.347 233 Q HN 0.202 nan 8.270 nan 0.000 0.444 234 S N -0.821 114.834 115.700 -0.076 0.000 2.593 234 S HA 0.146 4.616 4.470 0.001 0.000 0.217 234 S C 0.878 175.458 174.600 -0.034 0.000 0.966 234 S CA 0.012 57.998 58.200 -0.357 0.000 0.914 234 S CB 0.095 62.596 63.200 -1.164 0.000 0.776 234 S HN 0.569 nan 8.310 nan 0.000 0.523 235 A N 2.371 125.341 122.820 0.250 0.000 3.026 235 A HA 0.495 4.815 4.320 0.001 0.000 0.272 235 A C 0.134 177.946 177.584 0.379 0.000 1.782 235 A CA -0.532 51.718 52.037 0.356 0.000 1.451 235 A CB -1.271 17.878 19.000 0.247 0.000 1.081 235 A HN 0.907 nan 8.150 nan 0.000 0.611 236 H N -3.332 115.930 119.070 0.321 0.000 3.042 236 H HA 0.510 5.066 4.556 0.001 0.000 0.346 236 H C -0.250 175.275 175.328 0.327 0.000 1.294 236 H CA -0.711 55.490 56.048 0.254 0.000 1.141 236 H CB 0.338 30.204 29.762 0.175 0.000 1.872 236 H HN 0.094 nan 8.280 nan 0.000 0.541 237 D N 0.372 120.950 120.400 0.298 0.000 2.116 237 D HA -0.220 4.420 4.640 0.001 0.000 0.193 237 D C 2.104 178.484 176.300 0.132 0.000 0.998 237 D CA 3.158 57.273 54.000 0.192 0.000 0.836 237 D CB -0.334 40.555 40.800 0.149 0.000 0.951 237 D HN 0.802 nan 8.370 nan 0.000 0.449 238 T N -1.627 113.015 114.554 0.147 0.000 2.788 238 T HA -0.204 4.147 4.350 0.001 0.000 0.268 238 T C 1.898 176.561 174.700 -0.062 0.000 1.044 238 T CA 0.693 62.839 62.100 0.075 0.000 1.139 238 T CB -0.709 68.250 68.868 0.152 0.000 0.867 238 T HN 0.161 nan 8.240 nan 0.000 0.454 239 F N 0.772 120.432 119.950 -0.484 0.000 2.102 239 F HA 0.080 4.608 4.527 0.000 0.000 0.298 239 F C 1.814 177.356 175.800 -0.430 0.000 1.105 239 F CA 0.713 58.349 58.000 -0.607 0.000 1.239 239 F CB -0.582 37.854 39.000 -0.940 0.000 0.991 239 F HN 0.160 nan 8.300 nan 0.000 0.474 240 W N 0.482 121.700 121.300 -0.137 0.000 2.467 240 W HA -0.066 4.594 4.660 0.001 0.000 0.275 240 W C 2.274 178.711 176.519 -0.137 0.000 1.239 240 W CA 0.925 58.178 57.345 -0.154 0.000 1.266 240 W CB -0.575 28.878 29.460 -0.012 0.000 1.112 240 W HN 0.060 nan 8.180 nan 0.000 0.576 241 D N -0.559 119.882 120.400 0.068 0.000 2.084 241 D HA -0.289 4.351 4.640 0.001 0.000 0.194 241 D C 1.879 178.185 176.300 0.009 0.000 0.990 241 D CA 1.457 55.482 54.000 0.042 0.000 0.826 241 D CB -0.525 40.311 40.800 0.061 0.000 0.971 241 D HN 0.188 nan 8.370 nan 0.000 0.453 242 Y N 0.415 120.618 120.300 -0.162 0.000 2.145 242 Y HA -0.201 4.349 4.550 0.001 0.000 0.286 242 Y C 2.287 178.063 175.900 -0.205 0.000 1.145 242 Y CA 1.535 59.529 58.100 -0.177 0.000 1.148 242 Y CB -0.432 37.892 38.460 -0.226 0.000 0.981 242 Y HN -0.115 nan 8.280 nan 0.000 0.507 243 V N 0.138 119.932 119.914 -0.201 0.000 2.287 243 V HA -0.356 3.764 4.120 0.001 0.000 0.248 243 V C 2.616 178.652 176.094 -0.097 0.000 1.053 243 V CA 2.300 64.469 62.300 -0.220 0.000 1.027 243 V CB -1.230 30.353 31.823 -0.400 0.000 0.646 243 V HN 0.675 nan 8.190 nan 0.000 0.447 244 S N -0.412 115.273 115.700 -0.026 0.000 2.447 244 S HA -0.056 4.414 4.470 0.001 0.000 0.233 244 S C 1.681 176.247 174.600 -0.056 0.000 1.006 244 S CA 1.370 59.576 58.200 0.010 0.000 0.957 244 S CB -0.407 62.825 63.200 0.053 0.000 0.773 244 S HN 0.567 nan 8.310 nan 0.000 0.507 245 L N -0.124 121.018 121.223 -0.134 0.000 2.616 245 L HA 0.341 4.681 4.340 0.001 0.000 0.229 245 L C 0.427 177.130 176.870 -0.279 0.000 1.110 245 L CA 0.069 54.805 54.840 -0.173 0.000 0.884 245 L CB 0.082 42.041 42.059 -0.167 0.000 1.115 245 L HN 0.242 nan 8.230 nan 0.000 0.481 246 Q N 0.491 120.079 119.800 -0.352 0.000 2.891 246 Q HA 0.236 4.576 4.340 0.001 0.000 0.242 246 Q C -1.954 173.833 176.000 -0.356 0.000 0.959 246 Q CA -1.466 54.088 55.803 -0.414 0.000 0.707 246 Q CB 1.711 30.093 28.738 -0.594 0.000 1.283 246 Q HN -0.032 nan 8.270 nan 0.000 0.480 247 P HA -0.225 nan 4.420 nan 0.000 0.221 247 P C 0.980 177.986 177.300 -0.490 0.000 1.145 247 P CA 1.149 63.995 63.100 -0.423 0.000 0.795 247 P CB 0.285 31.691 31.700 -0.491 0.000 0.775 248 E N 0.733 120.527 120.200 -0.677 0.000 2.209 248 E HA -0.194 4.156 4.350 0.001 0.000 0.196 248 E C 1.554 178.114 176.600 -0.067 0.000 0.993 248 E CA 1.939 58.188 56.400 -0.251 0.000 0.819 248 E CB -1.378 28.241 29.700 -0.135 0.000 0.745 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.611 113.906 114.554 -0.061 0.000 3.035 249 T HA 0.005 4.355 4.350 0.001 0.000 0.268 249 T C 1.951 176.722 174.700 0.117 0.000 1.109 249 T CA 0.497 62.628 62.100 0.051 0.000 1.119 249 T CB -0.335 68.584 68.868 0.086 0.000 0.900 249 T HN 0.152 nan 8.240 nan 0.000 0.503 250 L N 0.043 121.334 121.223 0.114 0.000 2.083 250 L HA -0.096 4.245 4.340 0.001 0.000 0.209 250 L C 2.853 179.896 176.870 0.288 0.000 1.083 250 L CA 1.894 56.872 54.840 0.230 0.000 0.752 250 L CB -0.788 41.412 42.059 0.235 0.000 0.899 250 L HN 0.475 nan 8.230 nan 0.000 0.433 251 H N 0.055 119.182 119.070 0.094 0.000 2.267 251 H HA -0.222 4.334 4.556 0.001 0.000 0.297 251 H C 2.175 177.518 175.328 0.025 0.000 1.080 251 H CA 1.913 58.015 56.048 0.089 0.000 1.278 251 H CB 0.181 29.958 29.762 0.026 0.000 1.365 251 H HN 0.363 nan 8.280 nan 0.000 0.489 252 N N -0.194 118.359 118.700 -0.244 0.000 2.309 252 N HA -0.128 4.613 4.740 0.001 0.000 0.182 252 N C 1.927 177.297 175.510 -0.234 0.000 1.018 252 N CA 0.705 53.398 53.050 -0.595 0.000 0.876 252 N CB 0.268 37.948 38.487 -1.345 0.000 0.972 252 N HN 0.123 nan 8.380 nan 0.000 0.434 253 V N 1.600 121.585 119.914 0.117 0.000 2.343 253 V HA -0.242 3.879 4.120 0.001 0.000 0.247 253 V C 2.471 178.703 176.094 0.229 0.000 1.051 253 V CA 1.209 63.703 62.300 0.323 0.000 1.036 253 V CB -0.339 31.719 31.823 0.392 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.563 118.213 119.600 0.293 0.000 2.080 254 M HA -0.222 4.259 4.480 0.001 0.000 0.260 254 M C 2.100 178.419 176.300 0.031 0.000 1.068 254 M CA 1.975 57.453 55.300 0.297 0.000 1.109 254 M CB -1.210 31.610 32.600 0.367 0.000 1.342 254 M HN 0.465 nan 8.290 nan 0.000 0.405 255 W N 0.484 121.533 121.300 -0.417 0.000 2.358 255 W HA -0.103 4.558 4.660 0.001 0.000 0.303 255 W C 2.810 179.261 176.519 -0.114 0.000 1.208 255 W CA 1.864 58.924 57.345 -0.474 0.000 1.274 255 W CB -0.984 28.121 29.460 -0.591 0.000 1.138 255 W HN 0.295 nan 8.180 nan 0.000 0.515 256 A N -0.642 122.266 122.820 0.147 0.000 1.930 256 A HA -0.177 4.143 4.320 0.001 0.000 0.217 256 A C 1.929 179.576 177.584 0.105 0.000 1.175 256 A CA 1.646 53.774 52.037 0.153 0.000 0.627 256 A CB -0.608 18.513 19.000 0.201 0.000 0.815 256 A HN 0.099 nan 8.150 nan 0.000 0.443 257 M N 0.821 120.436 119.600 0.025 0.000 2.476 257 M HA -0.001 4.479 4.480 0.001 0.000 0.262 257 M C 1.494 177.845 176.300 0.084 0.000 1.079 257 M CA 0.871 56.126 55.300 -0.074 0.000 1.104 257 M CB -1.471 30.822 32.600 -0.512 0.000 1.409 257 M HN 0.557 nan 8.290 nan 0.000 0.467 258 S N 0.320 116.130 115.700 0.184 0.000 2.641 258 S HA 0.077 4.548 4.470 0.001 0.000 0.261 258 S C 0.739 175.481 174.600 0.236 0.000 1.257 258 S CA -0.433 57.917 58.200 0.251 0.000 0.983 258 S CB 0.863 64.265 63.200 0.337 0.000 0.990 258 S HN 0.192 nan 8.310 nan 0.000 0.572 259 D N 0.146 120.704 120.400 0.264 0.000 2.378 259 D HA 0.027 4.667 4.640 0.001 0.000 0.222 259 D C 1.851 178.306 176.300 0.260 0.000 0.980 259 D CA 0.314 54.489 54.000 0.292 0.000 0.907 259 D CB -0.162 40.880 40.800 0.404 0.000 0.899 259 D HN 0.374 nan 8.370 nan 0.000 0.527 260 R N 0.239 120.888 120.500 0.248 0.000 2.120 260 R HA -0.049 4.291 4.340 0.001 0.000 0.234 260 R C 2.041 178.503 176.300 0.270 0.000 1.123 260 R CA 0.981 57.249 56.100 0.280 0.000 0.975 260 R CB -0.787 29.745 30.300 0.387 0.000 0.866 260 R HN 0.175 nan 8.270 nan 0.000 0.446 261 G N 1.251 110.198 108.800 0.246 0.000 2.848 261 G HA2 0.004 3.964 3.960 0.001 0.000 0.208 261 G HA3 0.004 3.964 3.960 0.001 0.000 0.208 261 G C 0.976 176.022 174.900 0.243 0.000 1.152 261 G CA 0.036 45.273 45.100 0.229 0.000 0.789 261 G HN 0.409 nan 8.290 nan 0.000 0.531 262 I N -2.166 118.555 120.570 0.253 0.000 2.926 262 I HA 0.349 4.519 4.170 0.001 0.000 0.295 262 I C -2.828 173.442 176.117 0.255 0.000 1.463 262 I CA -2.579 58.873 61.300 0.254 0.000 0.892 262 I CB 1.677 39.825 38.000 0.247 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.043 nan 4.420 nan 0.000 0.269 263 P C 0.538 177.973 177.300 0.226 0.000 1.209 263 P CA -0.086 63.123 63.100 0.181 0.000 0.776 263 P CB 1.247 32.991 31.700 0.073 0.000 0.876 264 R N 1.904 122.522 120.500 0.197 0.000 2.115 264 R HA 0.019 4.359 4.340 0.001 0.000 0.230 264 R C 0.526 176.965 176.300 0.232 0.000 1.111 264 R CA 1.451 57.715 56.100 0.273 0.000 0.976 264 R CB -0.388 30.047 30.300 0.226 0.000 0.870 264 R HN 0.559 nan 8.270 nan 0.000 0.445 265 S N -2.851 112.792 115.700 -0.095 0.000 2.567 265 S HA 0.228 4.698 4.470 0.001 0.000 0.270 265 S C -0.353 173.946 174.600 -0.501 0.000 1.152 265 S CA -0.868 57.106 58.200 -0.376 0.000 0.835 265 S CB 0.171 63.281 63.200 -0.150 0.000 1.115 265 S HN 0.108 nan 8.310 nan 0.000 0.459 266 Y N 1.931 121.873 120.300 -0.597 0.000 2.403 266 Y HA 0.101 4.651 4.550 0.001 0.000 0.291 266 Y C 2.364 177.918 175.900 -0.577 0.000 1.143 266 Y CA 0.979 58.596 58.100 -0.805 0.000 1.257 266 Y CB -0.305 37.301 38.460 -1.424 0.000 0.984 266 Y HN 0.545 nan 8.280 nan 0.000 0.550 267 R N -0.542 119.830 120.500 -0.212 0.000 2.235 267 R HA -0.034 4.306 4.340 0.001 0.000 0.213 267 R C 1.024 177.292 176.300 -0.053 0.000 1.059 267 R CA 1.507 57.538 56.100 -0.115 0.000 0.997 267 R CB -0.330 29.894 30.300 -0.128 0.000 0.884 267 R HN 0.326 nan 8.270 nan 0.000 0.462 268 T N -1.839 112.696 114.554 -0.031 0.000 3.308 268 T HA 0.354 4.705 4.350 0.001 0.000 0.270 268 T C 0.157 174.900 174.700 0.071 0.000 0.992 268 T CA -0.674 61.435 62.100 0.015 0.000 0.931 268 T CB -0.080 68.782 68.868 -0.010 0.000 1.142 268 T HN 0.063 nan 8.240 nan 0.000 0.525 269 M N -1.184 118.498 119.600 0.137 0.000 2.619 269 M HA 0.744 5.224 4.480 0.001 0.000 0.297 269 M C -1.179 175.296 176.300 0.293 0.000 1.229 269 M CA -0.898 54.521 55.300 0.199 0.000 0.860 269 M CB 2.158 34.869 32.600 0.186 0.000 1.741 269 M HN -0.143 nan 8.290 nan 0.000 0.462 270 E N 0.275 120.644 120.200 0.282 0.000 2.312 270 E HA 0.689 5.040 4.350 0.001 0.000 0.259 270 E C -0.371 176.299 176.600 0.117 0.000 1.122 270 E CA -0.663 55.839 56.400 0.170 0.000 0.922 270 E CB 1.764 31.493 29.700 0.048 0.000 1.109 270 E HN 0.864 nan 8.360 nan 0.000 0.442 271 G N 0.715 109.397 108.800 -0.197 0.000 2.571 271 G HA2 0.624 4.584 3.960 0.001 0.000 0.304 271 G HA3 0.624 4.584 3.960 0.001 0.000 0.304 271 G C -1.505 172.986 174.900 -0.681 0.000 1.314 271 G CA -0.447 44.512 45.100 -0.234 0.000 0.975 271 G HN 0.274 nan 8.290 nan 0.000 0.485 272 F N -0.163 119.725 119.950 -0.104 0.000 2.601 272 F HA 0.518 5.045 4.527 0.000 0.000 0.309 272 F C 1.093 176.804 175.800 -0.149 0.000 1.089 272 F CA -0.504 57.366 58.000 -0.218 0.000 0.940 272 F CB 2.532 41.350 39.000 -0.303 0.000 1.273 272 F HN 0.600 nan 8.300 nan 0.000 0.450 273 G N 0.686 109.547 108.800 0.102 0.000 2.623 273 G HA2 0.141 4.101 3.960 0.001 0.000 0.214 273 G HA3 0.141 4.101 3.960 0.001 0.000 0.214 273 G C 1.174 176.121 174.900 0.078 0.000 1.138 273 G CA 0.886 46.097 45.100 0.185 0.000 0.794 273 G HN 0.790 nan 8.290 nan 0.000 0.535 274 I N -1.123 119.422 120.570 -0.042 0.000 4.713 274 I HA -0.316 3.854 4.170 0.001 0.000 0.044 274 I C 0.504 176.481 176.117 -0.233 0.000 0.627 274 I CA 1.487 62.639 61.300 -0.248 0.000 0.714 274 I CB -1.209 36.543 38.000 -0.413 0.000 0.668 274 I HN 0.249 nan 8.210 nan 0.000 0.156 275 H N 2.268 121.328 119.070 -0.016 0.000 2.690 275 H HA 0.226 4.782 4.556 0.001 0.000 0.365 275 H C 0.057 175.301 175.328 -0.140 0.000 1.142 275 H CA 0.557 56.508 56.048 -0.163 0.000 1.417 275 H CB 0.275 29.777 29.762 -0.433 0.000 1.446 275 H HN 0.202 nan 8.280 nan 0.000 0.599 276 T N 3.964 118.471 114.554 -0.078 0.000 2.761 276 T HA 0.226 4.576 4.350 0.001 0.000 0.296 276 T C 0.316 174.937 174.700 -0.132 0.000 0.934 276 T CA -0.013 62.033 62.100 -0.091 0.000 1.091 276 T CB -0.234 68.531 68.868 -0.171 0.000 0.896 276 T HN 0.238 nan 8.240 nan 0.000 0.515 277 F N 1.531 121.438 119.950 -0.072 0.000 2.544 277 F HA 0.663 5.190 4.527 0.000 0.000 0.378 277 F C 1.121 176.888 175.800 -0.055 0.000 1.112 277 F CA -1.301 56.686 58.000 -0.022 0.000 1.115 277 F CB 1.233 40.213 39.000 -0.033 0.000 1.436 277 F HN 0.179 nan 8.300 nan 0.000 0.496 278 R N 0.464 121.036 120.500 0.120 0.000 2.750 278 R HA 0.637 4.977 4.340 0.001 0.000 0.281 278 R C -1.676 174.518 176.300 -0.177 0.000 0.972 278 R CA -0.885 55.148 56.100 -0.111 0.000 0.912 278 R CB 2.052 32.212 30.300 -0.233 0.000 1.187 278 R HN 0.423 nan 8.270 nan 0.000 0.464 279 L N 3.499 124.567 121.223 -0.258 0.000 2.317 279 L HA 0.544 4.885 4.340 0.001 0.000 0.281 279 L C -0.507 176.210 176.870 -0.255 0.000 1.024 279 L CA -0.963 53.731 54.840 -0.242 0.000 0.810 279 L CB 1.386 43.304 42.059 -0.235 0.000 1.240 279 L HN 0.364 nan 8.230 nan 0.000 0.427 280 I N 2.844 123.287 120.570 -0.212 0.000 2.418 280 I HA 0.283 4.454 4.170 0.001 0.000 0.287 280 I C -0.255 175.778 176.117 -0.140 0.000 1.008 280 I CA -0.689 60.490 61.300 -0.201 0.000 1.104 280 I CB 1.380 39.268 38.000 -0.186 0.000 1.264 280 I HN 0.629 nan 8.210 nan 0.000 0.438 281 N N 4.863 123.493 118.700 -0.116 0.000 2.491 281 N HA 0.397 5.138 4.740 0.001 0.000 0.279 281 N C 0.830 176.301 175.510 -0.064 0.000 1.236 281 N CA -0.390 52.611 53.050 -0.081 0.000 0.982 281 N CB 0.622 39.069 38.487 -0.067 0.000 1.194 281 N HN 0.512 nan 8.380 nan 0.000 0.582 282 A N -0.487 122.304 122.820 -0.048 0.000 2.019 282 A HA -0.132 4.188 4.320 0.001 0.000 0.219 282 A C 1.393 178.958 177.584 -0.032 0.000 1.164 282 A CA 1.373 53.387 52.037 -0.038 0.000 0.644 282 A CB -0.792 18.191 19.000 -0.028 0.000 0.805 282 A HN 0.792 nan 8.150 nan 0.000 0.449 283 E N -1.410 118.772 120.200 -0.030 0.000 2.481 283 E HA 0.305 4.655 4.350 0.001 0.000 0.195 283 E C 1.240 177.830 176.600 -0.016 0.000 1.047 283 E CA 0.683 57.070 56.400 -0.022 0.000 0.867 283 E CB -0.112 29.576 29.700 -0.020 0.000 0.858 283 E HN 0.730 nan 8.360 nan 0.000 0.513 284 G N 1.266 110.054 108.800 -0.020 0.000 2.175 284 G HA2 -0.357 3.603 3.960 0.001 0.000 0.244 284 G HA3 -0.357 3.603 3.960 0.001 0.000 0.244 284 G C 0.248 175.166 174.900 0.031 0.000 0.982 284 G CA 0.189 45.295 45.100 0.011 0.000 0.641 284 G HN 0.278 nan 8.290 nan 0.000 0.527 285 K N 0.859 121.241 120.400 -0.030 0.000 2.322 285 K HA 0.662 4.982 4.320 0.001 0.000 0.283 285 K C 0.523 176.999 176.600 -0.207 0.000 1.042 285 K CA 0.204 56.449 56.287 -0.070 0.000 0.958 285 K CB 0.606 33.065 32.500 -0.069 0.000 0.984 285 K HN 0.611 nan 8.250 nan 0.000 0.473 286 A N 3.459 126.056 122.820 -0.372 0.000 2.305 286 A HA 0.432 4.752 4.320 0.001 0.000 0.322 286 A C -0.776 176.501 177.584 -0.512 0.000 1.187 286 A CA -0.559 51.094 52.037 -0.639 0.000 0.825 286 A CB 1.200 19.403 19.000 -1.328 0.000 1.164 286 A HN 0.737 nan 8.150 nan 0.000 0.498 287 T N 2.297 116.584 114.554 -0.445 0.000 2.841 287 T HA 0.541 4.892 4.350 0.001 0.000 0.283 287 T C -0.639 173.842 174.700 -0.366 0.000 1.000 287 T CA -0.075 61.815 62.100 -0.350 0.000 0.977 287 T CB 0.451 69.207 68.868 -0.187 0.000 0.979 287 T HN 0.338 nan 8.240 nan 0.000 0.446 288 F N 2.066 121.926 119.950 -0.150 0.000 2.429 288 F HA 0.526 5.053 4.527 0.000 0.000 0.348 288 F C 0.551 176.235 175.800 -0.193 0.000 1.109 288 F CA -0.450 57.455 58.000 -0.159 0.000 1.232 288 F CB 0.727 39.652 39.000 -0.124 0.000 1.157 288 F HN 0.185 nan 8.300 nan 0.000 0.564 289 V N 4.754 124.632 119.914 -0.061 0.000 2.888 289 V HA 0.589 4.710 4.120 0.001 0.000 0.309 289 V C -1.004 174.863 176.094 -0.379 0.000 1.114 289 V CA -0.761 61.353 62.300 -0.310 0.000 0.940 289 V CB 2.065 33.480 31.823 -0.680 0.000 1.021 289 V HN 0.765 nan 8.190 nan 0.000 0.426 290 R N 4.825 125.151 120.500 -0.289 0.000 2.494 290 R HA 0.558 4.898 4.340 0.001 0.000 0.305 290 R C -1.622 174.589 176.300 -0.150 0.000 0.959 290 R CA -0.451 55.525 56.100 -0.207 0.000 0.864 290 R CB 1.975 32.271 30.300 -0.008 0.000 1.159 290 R HN 0.598 nan 8.270 nan 0.000 0.446 291 F N 2.258 122.252 119.950 0.073 0.000 2.385 291 F HA 0.366 4.894 4.527 0.001 0.000 0.336 291 F C 0.964 176.709 175.800 -0.091 0.000 1.100 291 F CA -0.104 57.907 58.000 0.018 0.000 1.116 291 F CB 0.897 39.804 39.000 -0.156 0.000 1.166 291 F HN 0.214 nan 8.300 nan 0.000 0.511 292 H N 0.941 120.021 119.070 0.017 0.000 2.768 292 H HA 0.265 4.822 4.556 0.001 0.000 0.371 292 H C -1.562 173.564 175.328 -0.337 0.000 1.151 292 H CA -0.992 54.958 56.048 -0.164 0.000 1.165 292 H CB 2.041 31.795 29.762 -0.013 0.000 1.722 292 H HN 0.673 nan 8.280 nan 0.000 0.543 293 W N 2.164 123.350 121.300 -0.190 0.000 2.600 293 W HA 0.329 4.990 4.660 0.000 0.000 0.325 293 W C -0.182 176.351 176.519 0.023 0.000 1.034 293 W CA -0.753 56.529 57.345 -0.105 0.000 1.226 293 W CB 1.839 31.069 29.460 -0.385 0.000 1.379 293 W HN 0.278 nan 8.180 nan 0.000 0.466 294 K N 5.517 126.179 120.400 0.437 0.000 2.235 294 K HA 0.418 4.738 4.320 0.001 0.000 0.266 294 K C -2.432 174.396 176.600 0.380 0.000 0.980 294 K CA -1.926 54.558 56.287 0.329 0.000 0.849 294 K CB 1.534 34.181 32.500 0.244 0.000 1.098 294 K HN 0.035 nan 8.250 nan 0.000 0.445 295 P HA 0.059 nan 4.420 nan 0.000 0.276 295 P C 0.290 177.610 177.300 0.034 0.000 1.264 295 P CA -0.088 63.102 63.100 0.149 0.000 0.769 295 P CB 0.733 32.529 31.700 0.160 0.000 0.840 296 L N 2.601 123.786 121.223 -0.063 0.000 2.465 296 L HA -0.043 4.297 4.340 0.001 0.000 0.224 296 L C 2.113 178.964 176.870 -0.031 0.000 1.145 296 L CA 0.931 55.761 54.840 -0.017 0.000 0.834 296 L CB -0.537 41.519 42.059 -0.005 0.000 0.944 296 L HN 0.348 nan 8.230 nan 0.000 0.451 297 A N -0.098 122.681 122.820 -0.069 0.000 2.251 297 A HA 0.449 4.769 4.320 0.001 0.000 0.209 297 A C 1.225 178.807 177.584 -0.004 0.000 1.187 297 A CA 0.617 52.628 52.037 -0.044 0.000 0.823 297 A CB -0.194 18.762 19.000 -0.074 0.000 0.846 297 A HN 0.437 nan 8.150 nan 0.000 0.486 298 G N -0.620 108.192 108.800 0.020 0.000 2.712 298 G HA2 -0.107 3.853 3.960 0.001 0.000 0.683 298 G HA3 -0.107 3.853 3.960 0.001 0.000 0.683 298 G C -0.691 174.237 174.900 0.048 0.000 1.320 298 G CA -0.521 44.608 45.100 0.048 0.000 0.847 298 G HN 0.407 nan 8.290 nan 0.000 0.553 299 K N 0.191 120.622 120.400 0.052 0.000 2.183 299 K HA 0.708 5.028 4.320 0.001 0.000 0.274 299 K C 0.163 176.752 176.600 -0.019 0.000 1.009 299 K CA 0.213 56.515 56.287 0.026 0.000 0.888 299 K CB 1.710 34.213 32.500 0.005 0.000 1.078 299 K HN 1.415 nan 8.250 nan 0.000 0.459 300 A N 1.856 124.658 122.820 -0.030 0.000 2.540 300 A HA 0.596 4.917 4.320 0.001 0.000 0.297 300 A C -1.132 176.499 177.584 0.078 0.000 1.056 300 A CA -0.660 51.316 52.037 -0.102 0.000 0.700 300 A CB 1.711 20.491 19.000 -0.366 0.000 1.280 300 A HN 0.519 nan 8.150 nan 0.000 0.398 301 S N 0.545 116.444 115.700 0.332 0.000 2.632 301 S HA 0.758 5.228 4.470 0.001 0.000 0.289 301 S C -0.120 174.799 174.600 0.531 0.000 1.115 301 S CA -0.601 57.836 58.200 0.396 0.000 0.889 301 S CB 1.231 64.654 63.200 0.372 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.245 122.669 121.223 0.336 0.000 2.543 302 L HA 0.586 4.926 4.340 0.001 0.000 0.231 302 L C -0.026 176.956 176.870 0.187 0.000 1.194 302 L CA -0.817 54.146 54.840 0.204 0.000 0.823 302 L CB 0.193 42.283 42.059 0.052 0.000 1.374 302 L HN 0.496 nan 8.230 nan 0.000 0.507 303 V N -3.180 116.742 119.914 0.013 0.000 2.769 303 V HA 0.183 4.303 4.120 0.001 0.000 0.312 303 V C 0.669 176.706 176.094 -0.096 0.000 1.058 303 V CA -0.824 61.455 62.300 -0.035 0.000 0.952 303 V CB 1.609 33.388 31.823 -0.073 0.000 1.019 303 V HN 0.934 nan 8.190 nan 0.000 0.445 304 W N 2.295 123.464 121.300 -0.218 0.000 2.317 304 W HA -0.259 4.401 4.660 0.000 0.000 0.318 304 W C 1.764 178.127 176.519 -0.261 0.000 1.227 304 W CA 2.699 59.910 57.345 -0.222 0.000 1.269 304 W CB -0.132 29.186 29.460 -0.238 0.000 1.155 304 W HN 1.010 nan 8.180 nan 0.000 0.484 305 D N 0.135 120.280 120.400 -0.425 0.000 2.123 305 D HA -0.295 4.345 4.640 0.001 0.000 0.196 305 D C 2.166 178.104 176.300 -0.604 0.000 0.992 305 D CA 2.212 55.911 54.000 -0.502 0.000 0.833 305 D CB -0.513 40.239 40.800 -0.079 0.000 0.954 305 D HN 0.400 nan 8.370 nan 0.000 0.455 306 E N -0.399 119.315 120.200 -0.810 0.000 2.051 306 E HA -0.200 4.150 4.350 0.001 0.000 0.192 306 E C 2.022 178.271 176.600 -0.584 0.000 0.991 306 E CA 1.065 56.931 56.400 -0.889 0.000 0.799 306 E CB -0.227 28.844 29.700 -1.049 0.000 0.748 306 E HN 0.309 nan 8.360 nan 0.000 0.449 307 A N 1.164 123.663 122.820 -0.536 0.000 1.902 307 A HA -0.253 4.067 4.320 0.001 0.000 0.217 307 A C 2.184 179.420 177.584 -0.581 0.000 1.181 307 A CA 1.776 53.538 52.037 -0.458 0.000 0.623 307 A CB -0.681 18.156 19.000 -0.271 0.000 0.818 307 A HN 0.438 nan 8.150 nan 0.000 0.443 308 Q N -0.614 118.624 119.800 -0.937 0.000 2.079 308 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 308 Q C 2.118 177.828 176.000 -0.483 0.000 0.974 308 Q CA 1.810 57.091 55.803 -0.870 0.000 0.840 308 Q CB -0.113 27.829 28.738 -1.326 0.000 0.898 308 Q HN 0.664 nan 8.270 nan 0.000 0.430 309 K N -0.066 120.075 120.400 -0.431 0.000 2.148 309 K HA -0.134 4.186 4.320 0.001 0.000 0.204 309 K C 1.968 178.422 176.600 -0.244 0.000 1.050 309 K CA 0.626 56.755 56.287 -0.264 0.000 0.942 309 K CB -0.024 32.361 32.500 -0.191 0.000 0.724 309 K HN 0.143 nan 8.250 nan 0.000 0.446 310 L N 1.116 122.149 121.223 -0.317 0.000 2.201 310 L HA -0.113 4.228 4.340 0.001 0.000 0.212 310 L C 2.035 178.757 176.870 -0.246 0.000 1.105 310 L CA 1.985 56.633 54.840 -0.320 0.000 0.775 310 L CB -0.777 40.998 42.059 -0.473 0.000 0.913 310 L HN 0.327 nan 8.230 nan 0.000 0.440 311 T N -4.510 109.904 114.554 -0.232 0.000 2.929 311 T HA -0.041 4.309 4.350 0.001 0.000 0.271 311 T C 1.806 176.435 174.700 -0.118 0.000 1.085 311 T CA 0.914 62.920 62.100 -0.157 0.000 1.125 311 T CB -0.814 67.973 68.868 -0.136 0.000 0.874 311 T HN 0.374 nan 8.240 nan 0.000 0.494 312 G N 1.029 109.754 108.800 -0.125 0.000 2.490 312 G HA2 0.026 3.986 3.960 0.001 0.000 0.211 312 G HA3 0.026 3.986 3.960 0.001 0.000 0.211 312 G C 1.896 176.749 174.900 -0.078 0.000 1.159 312 G CA -0.328 44.717 45.100 -0.090 0.000 0.819 312 G HN 0.284 nan 8.290 nan 0.000 0.539 313 R N 0.314 120.758 120.500 -0.094 0.000 2.115 313 R HA 0.037 4.377 4.340 0.001 0.000 0.226 313 R C -0.160 176.110 176.300 -0.049 0.000 1.100 313 R CA 0.878 56.937 56.100 -0.069 0.000 0.980 313 R CB -0.198 30.053 30.300 -0.081 0.000 0.875 313 R HN 0.354 nan 8.270 nan 0.000 0.445 314 D N -0.575 119.787 120.400 -0.062 0.000 2.411 314 D HA 0.130 4.771 4.640 0.001 0.000 0.239 314 D C -2.107 174.185 176.300 -0.012 0.000 1.307 314 D CA -1.679 52.316 54.000 -0.009 0.000 0.930 314 D CB 1.322 42.163 40.800 0.067 0.000 1.395 314 D HN -0.145 nan 8.370 nan 0.000 0.536 315 P HA -0.014 nan 4.420 nan 0.000 0.228 315 P C -0.005 177.294 177.300 -0.001 0.000 1.151 315 P CA 0.704 63.786 63.100 -0.030 0.000 0.770 315 P CB 0.481 32.162 31.700 -0.032 0.000 0.786 316 D N -1.413 118.999 120.400 0.020 0.000 2.463 316 D HA 0.083 4.723 4.640 0.001 0.000 0.224 316 D C 1.153 177.489 176.300 0.060 0.000 1.174 316 D CA -0.474 53.545 54.000 0.031 0.000 0.829 316 D CB -0.543 40.255 40.800 -0.004 0.000 0.993 316 D HN 0.118 nan 8.370 nan 0.000 0.497 317 F N 1.189 121.074 119.950 -0.107 0.000 2.126 317 F HA -0.227 4.300 4.527 0.000 0.000 0.299 317 F C 2.047 177.814 175.800 -0.054 0.000 1.096 317 F CA 1.849 59.782 58.000 -0.112 0.000 1.255 317 F CB 0.083 38.962 39.000 -0.202 0.000 0.997 317 F HN 0.119 nan 8.300 nan 0.000 0.479 318 H N -1.306 117.699 119.070 -0.109 0.000 2.428 318 H HA -0.061 4.495 4.556 0.000 0.000 0.296 318 H C 2.348 177.575 175.328 -0.168 0.000 1.062 318 H CA 0.806 56.640 56.048 -0.356 0.000 1.350 318 H CB -0.066 29.293 29.762 -0.670 0.000 1.403 318 H HN 0.184 nan 8.280 nan 0.000 0.533 319 R N 1.278 121.868 120.500 0.150 0.000 2.073 319 R HA -0.117 4.223 4.340 0.001 0.000 0.234 319 R C 2.429 178.832 176.300 0.171 0.000 1.134 319 R CA 1.233 57.475 56.100 0.236 0.000 0.952 319 R CB -0.012 30.413 30.300 0.208 0.000 0.850 319 R HN 0.184 nan 8.270 nan 0.000 0.433 320 R N 0.407 120.933 120.500 0.043 0.000 2.073 320 R HA -0.156 4.185 4.340 0.001 0.000 0.234 320 R C 2.192 178.493 176.300 0.002 0.000 1.134 320 R CA 1.783 57.888 56.100 0.010 0.000 0.952 320 R CB -0.265 30.001 30.300 -0.056 0.000 0.850 320 R HN 0.275 nan 8.270 nan 0.000 0.433 321 E N 0.603 120.702 120.200 -0.169 0.000 2.110 321 E HA -0.203 4.147 4.350 0.001 0.000 0.193 321 E C 1.990 178.563 176.600 -0.046 0.000 0.988 321 E CA 1.053 57.327 56.400 -0.210 0.000 0.804 321 E CB -0.042 29.364 29.700 -0.489 0.000 0.745 321 E HN 0.259 nan 8.360 nan 0.000 0.458 322 L N 0.740 121.980 121.223 0.030 0.000 2.027 322 L HA -0.135 4.205 4.340 0.001 0.000 0.206 322 L C 2.221 179.193 176.870 0.171 0.000 1.074 322 L CA 1.761 56.664 54.840 0.106 0.000 0.745 322 L CB -0.924 41.257 42.059 0.203 0.000 0.898 322 L HN 0.303 nan 8.230 nan 0.000 0.433 323 W N 0.961 122.296 121.300 0.058 0.000 2.355 323 W HA -0.212 4.448 4.660 0.000 0.000 0.309 323 W C 2.211 178.759 176.519 0.050 0.000 1.206 323 W CA 2.177 59.568 57.345 0.075 0.000 1.284 323 W CB -0.158 29.350 29.460 0.080 0.000 1.145 323 W HN 0.344 nan 8.180 nan 0.000 0.502 324 E N -0.041 120.336 120.200 0.296 0.000 2.204 324 E HA -0.127 4.223 4.350 0.001 0.000 0.194 324 E C 2.326 178.959 176.600 0.056 0.000 0.989 324 E CA 0.982 57.475 56.400 0.155 0.000 0.824 324 E CB -0.304 29.441 29.700 0.074 0.000 0.756 324 E HN 0.191 nan 8.360 nan 0.000 0.477 325 A N 1.376 124.227 122.820 0.053 0.000 1.877 325 A HA -0.175 4.145 4.320 0.001 0.000 0.216 325 A C 2.169 179.785 177.584 0.054 0.000 1.186 325 A CA 1.067 53.129 52.037 0.042 0.000 0.620 325 A CB -0.557 18.467 19.000 0.039 0.000 0.822 325 A HN 0.126 nan 8.150 nan 0.000 0.443 326 I N -0.336 120.284 120.570 0.082 0.000 2.226 326 I HA -0.256 3.914 4.170 0.001 0.000 0.245 326 I C 2.455 178.642 176.117 0.117 0.000 1.100 326 I CA 1.543 62.937 61.300 0.157 0.000 1.374 326 I CB -0.432 37.589 38.000 0.035 0.000 1.057 326 I HN 0.426 nan 8.210 nan 0.000 0.413 327 E N 0.773 120.992 120.200 0.032 0.000 2.204 327 E HA -0.184 4.166 4.350 0.001 0.000 0.195 327 E C 2.193 178.810 176.600 0.029 0.000 0.990 327 E CA 1.199 57.628 56.400 0.048 0.000 0.821 327 E CB -0.102 29.655 29.700 0.096 0.000 0.750 327 E HN 0.523 nan 8.360 nan 0.000 0.477 328 A N 0.105 122.919 122.820 -0.009 0.000 2.123 328 A HA 0.187 4.508 4.320 0.001 0.000 0.214 328 A C 1.826 179.349 177.584 -0.102 0.000 1.152 328 A CA 1.052 53.062 52.037 -0.044 0.000 0.728 328 A CB -0.057 18.907 19.000 -0.060 0.000 0.814 328 A HN 0.345 nan 8.150 nan 0.000 0.464 329 G N -0.646 108.016 108.800 -0.230 0.000 2.159 329 G HA2 -0.175 3.785 3.960 0.001 0.000 0.227 329 G HA3 -0.175 3.785 3.960 0.001 0.000 0.227 329 G C -0.240 174.167 174.900 -0.823 0.000 0.986 329 G CA 0.207 44.888 45.100 -0.698 0.000 0.651 329 G HN 0.416 nan 8.290 nan 0.000 0.523 330 D N 1.139 121.321 120.400 -0.364 0.000 2.994 330 D HA 0.274 4.914 4.640 0.001 0.000 0.240 330 D C 0.811 177.058 176.300 -0.087 0.000 1.195 330 D CA -0.212 53.672 54.000 -0.193 0.000 0.957 330 D CB -0.740 40.047 40.800 -0.022 0.000 1.105 330 D HN 0.452 nan 8.370 nan 0.000 0.477 331 F N 1.419 121.368 119.950 -0.002 0.000 2.612 331 F HA 0.046 4.573 4.527 0.001 0.000 0.389 331 F C -1.322 174.442 175.800 -0.060 0.000 1.055 331 F CA -1.840 56.149 58.000 -0.018 0.000 1.232 331 F CB -0.129 38.871 39.000 -0.000 0.000 1.044 331 F HN -0.090 nan 8.300 nan 0.000 0.560 332 P HA -0.007 nan 4.420 nan 0.000 0.260 332 P C -1.001 176.214 177.300 -0.142 0.000 1.185 332 P CA 0.475 63.542 63.100 -0.054 0.000 0.763 332 P CB 0.365 32.113 31.700 0.080 0.000 0.776 333 E N 2.694 122.682 120.200 -0.353 0.000 2.222 333 E HA 0.447 4.797 4.350 0.001 0.000 0.267 333 E C -0.964 175.328 176.600 -0.512 0.000 0.884 333 E CA -0.585 55.656 56.400 -0.264 0.000 0.764 333 E CB 1.416 31.068 29.700 -0.080 0.000 1.169 333 E HN 0.380 nan 8.360 nan 0.000 0.413 334 Y N 0.334 120.695 120.300 0.102 0.000 2.492 334 Y HA 0.242 4.792 4.550 0.001 0.000 0.346 334 Y C -0.205 175.906 175.900 0.352 0.000 0.997 334 Y CA -0.985 57.241 58.100 0.211 0.000 1.025 334 Y CB 2.002 40.551 38.460 0.148 0.000 1.263 334 Y HN 0.469 nan 8.280 nan 0.000 0.454 335 E N 2.756 123.275 120.200 0.531 0.000 2.156 335 E HA 0.409 4.760 4.350 0.001 0.000 0.279 335 E C -1.548 175.343 176.600 0.485 0.000 0.965 335 E CA -0.957 55.717 56.400 0.456 0.000 0.789 335 E CB 1.053 30.957 29.700 0.339 0.000 1.098 335 E HN 0.592 nan 8.360 nan 0.000 0.397 336 L N 4.397 125.838 121.223 0.363 0.000 2.367 336 L HA 0.543 4.883 4.340 0.001 0.000 0.275 336 L C -0.119 176.706 176.870 -0.075 0.000 1.129 336 L CA 0.513 55.305 54.840 -0.080 0.000 0.839 336 L CB 1.073 43.022 42.059 -0.183 0.000 1.133 336 L HN 0.582 nan 8.230 nan 0.000 0.453 337 G N 4.380 113.148 108.800 -0.054 0.000 2.612 337 G HA2 0.581 4.542 3.960 0.001 0.000 0.298 337 G HA3 0.581 4.542 3.960 0.001 0.000 0.298 337 G C -1.630 173.398 174.900 0.214 0.000 1.336 337 G CA -0.535 44.561 45.100 -0.007 0.000 0.953 337 G HN 0.465 nan 8.290 nan 0.000 0.482 338 F N 0.132 120.104 119.950 0.036 0.000 2.507 338 F HA 0.390 4.917 4.527 0.000 0.000 0.325 338 F C 0.355 176.150 175.800 -0.008 0.000 1.116 338 F CA -0.986 57.034 58.000 0.033 0.000 0.930 338 F CB 2.592 41.598 39.000 0.011 0.000 1.146 338 F HN 0.122 nan 8.300 nan 0.000 0.447 339 Q N 3.767 123.683 119.800 0.193 0.000 2.322 339 Q HA 0.367 4.707 4.340 0.001 0.000 0.256 339 Q C -1.193 174.849 176.000 0.069 0.000 0.960 339 Q CA -0.803 55.060 55.803 0.100 0.000 0.934 339 Q CB 1.646 30.450 28.738 0.111 0.000 1.200 339 Q HN 0.315 nan 8.270 nan 0.000 0.435 340 L N 4.375 125.646 121.223 0.081 0.000 2.322 340 L HA 0.562 4.902 4.340 0.001 0.000 0.281 340 L C -0.444 176.478 176.870 0.086 0.000 1.014 340 L CA -0.372 54.505 54.840 0.062 0.000 0.815 340 L CB 1.466 43.570 42.059 0.075 0.000 1.247 340 L HN 0.600 nan 8.230 nan 0.000 0.421 341 I N 5.100 125.736 120.570 0.110 0.000 2.478 341 I HA 0.338 4.509 4.170 0.001 0.000 0.287 341 I C -2.253 173.975 176.117 0.184 0.000 1.042 341 I CA -1.860 59.546 61.300 0.176 0.000 1.067 341 I CB 2.640 40.762 38.000 0.203 0.000 1.233 341 I HN 0.364 nan 8.210 nan 0.000 0.431 342 P HA 0.045 nan 4.420 nan 0.000 0.269 342 P C 0.551 177.912 177.300 0.103 0.000 1.209 342 P CA -0.025 63.111 63.100 0.059 0.000 0.776 342 P CB 0.869 32.597 31.700 0.046 0.000 0.876 343 E N 1.418 121.594 120.200 -0.040 0.000 2.130 343 E HA -0.267 4.083 4.350 0.001 0.000 0.196 343 E C 0.877 177.558 176.600 0.135 0.000 0.998 343 E CA 1.449 57.831 56.400 -0.029 0.000 0.806 343 E CB 0.030 29.635 29.700 -0.158 0.000 0.738 343 E HN 0.448 nan 8.360 nan 0.000 0.459 344 E N 0.496 120.751 120.200 0.092 0.000 2.409 344 E HA -0.115 4.235 4.350 0.001 0.000 0.198 344 E C 0.574 177.238 176.600 0.106 0.000 1.024 344 E CA 0.884 57.346 56.400 0.103 0.000 0.861 344 E CB 0.083 29.823 29.700 0.067 0.000 0.788 344 E HN 0.244 nan 8.360 nan 0.000 0.521 345 D N 0.089 120.557 120.400 0.113 0.000 2.368 345 D HA -0.010 4.630 4.640 0.001 0.000 0.218 345 D C 1.215 177.560 176.300 0.075 0.000 1.112 345 D CA 0.034 54.080 54.000 0.076 0.000 0.834 345 D CB 0.059 40.917 40.800 0.096 0.000 0.953 345 D HN 0.295 nan 8.370 nan 0.000 0.505 346 E N -0.004 120.201 120.200 0.009 0.000 2.114 346 E HA -0.211 4.139 4.350 0.001 0.000 0.199 346 E C 0.460 176.765 176.600 -0.492 0.000 1.008 346 E CA 1.190 57.386 56.400 -0.340 0.000 0.810 346 E CB -0.016 29.325 29.700 -0.598 0.000 0.739 346 E HN 0.272 nan 8.360 nan 0.000 0.456 347 F N -0.308 119.657 119.950 0.026 0.000 2.639 347 F HA 0.266 4.793 4.527 0.000 0.000 0.300 347 F C 1.259 176.997 175.800 -0.102 0.000 1.109 347 F CA -0.218 57.769 58.000 -0.021 0.000 1.335 347 F CB 0.556 39.549 39.000 -0.012 0.000 1.014 347 F HN -0.181 nan 8.300 nan 0.000 0.537 348 K N 0.159 120.489 120.400 -0.117 0.000 2.458 348 K HA 0.134 4.455 4.320 0.001 0.000 0.194 348 K C -0.364 175.806 176.600 -0.718 0.000 1.024 348 K CA 0.274 56.320 56.287 -0.403 0.000 1.108 348 K CB 0.137 32.327 32.500 -0.516 0.000 0.846 348 K HN 0.155 nan 8.250 nan 0.000 0.518 349 F N -0.143 119.644 119.950 -0.271 0.000 2.557 349 F HA 0.174 4.701 4.527 0.001 0.000 0.336 349 F C 1.268 176.852 175.800 -0.360 0.000 1.058 349 F CA -1.080 56.644 58.000 -0.460 0.000 0.988 349 F CB 0.800 39.120 39.000 -1.134 0.000 1.275 349 F HN -0.211 nan 8.300 nan 0.000 0.488 350 D N 0.358 120.731 120.400 -0.046 0.000 2.312 350 D HA -0.034 4.606 4.640 0.001 0.000 0.211 350 D C -0.071 176.308 176.300 0.132 0.000 0.964 350 D CA 1.143 55.197 54.000 0.090 0.000 0.877 350 D CB -0.164 40.773 40.800 0.229 0.000 0.924 350 D HN 0.259 nan 8.370 nan 0.000 0.515 351 F N -0.816 119.213 119.950 0.133 0.000 2.575 351 F HA 0.482 5.009 4.527 0.000 0.000 0.330 351 F C 0.102 175.893 175.800 -0.015 0.000 1.056 351 F CA -1.599 56.402 58.000 0.000 0.000 0.964 351 F CB 0.738 39.694 39.000 -0.073 0.000 1.258 351 F HN -0.398 nan 8.300 nan 0.000 0.484 352 D N 1.635 122.069 120.400 0.058 0.000 2.308 352 D HA 0.176 4.816 4.640 0.001 0.000 0.251 352 D C 1.004 177.267 176.300 -0.063 0.000 1.127 352 D CA -0.030 53.951 54.000 -0.031 0.000 0.876 352 D CB 1.429 42.227 40.800 -0.003 0.000 1.176 352 D HN 0.739 nan 8.370 nan 0.000 0.446 353 L N 3.418 124.541 121.223 -0.167 0.000 2.265 353 L HA -0.121 4.219 4.340 0.001 0.000 0.215 353 L C 1.976 178.718 176.870 -0.213 0.000 1.117 353 L CA 0.652 55.361 54.840 -0.218 0.000 0.782 353 L CB -0.098 41.687 42.059 -0.457 0.000 0.914 353 L HN 0.437 nan 8.230 nan 0.000 0.441 354 L N -0.912 120.211 121.223 -0.166 0.000 2.591 354 L HA 0.064 4.404 4.340 0.001 0.000 0.228 354 L C 0.402 177.205 176.870 -0.112 0.000 1.133 354 L CA -0.129 54.674 54.840 -0.061 0.000 0.880 354 L CB -0.272 41.854 42.059 0.112 0.000 1.033 354 L HN 0.101 nan 8.230 nan 0.000 0.450 355 D N 1.703 121.814 120.400 -0.481 0.000 2.347 355 D HA 0.122 4.763 4.640 0.001 0.000 0.235 355 D C -1.564 174.516 176.300 -0.368 0.000 1.149 355 D CA -2.319 51.169 54.000 -0.853 0.000 0.850 355 D CB 1.625 41.640 40.800 -1.308 0.000 1.061 355 D HN -0.089 nan 8.370 nan 0.000 0.487 356 P HA -0.048 nan 4.420 nan 0.000 0.242 356 P C 0.831 178.031 177.300 -0.166 0.000 1.197 356 P CA 0.633 63.656 63.100 -0.129 0.000 0.765 356 P CB -0.024 31.679 31.700 0.004 0.000 0.936 357 T N -4.454 109.994 114.554 -0.177 0.000 3.107 357 T HA 0.149 4.499 4.350 0.001 0.000 0.249 357 T C 0.743 175.352 174.700 -0.152 0.000 1.096 357 T CA -0.069 61.942 62.100 -0.148 0.000 1.012 357 T CB -0.164 68.663 68.868 -0.067 0.000 0.977 357 T HN -0.123 nan 8.240 nan 0.000 0.527 358 K N 2.048 122.264 120.400 -0.306 0.000 2.221 358 K HA 0.577 4.898 4.320 0.001 0.000 0.258 358 K C -0.345 176.062 176.600 -0.321 0.000 0.944 358 K CA -0.853 55.133 56.287 -0.500 0.000 0.823 358 K CB 2.219 34.285 32.500 -0.724 0.000 1.113 358 K HN 0.280 nan 8.250 nan 0.000 0.431 359 L N -0.431 120.747 121.223 -0.075 0.000 2.400 359 L HA 0.655 4.996 4.340 0.001 0.000 0.264 359 L C -0.046 176.626 176.870 -0.331 0.000 1.061 359 L CA -0.470 54.272 54.840 -0.164 0.000 0.799 359 L CB 0.324 42.365 42.059 -0.030 0.000 1.240 359 L HN 0.456 nan 8.230 nan 0.000 0.461 360 I N 1.498 121.970 120.570 -0.163 0.000 2.330 360 I HA 0.367 4.537 4.170 0.001 0.000 0.286 360 I C -2.137 174.002 176.117 0.037 0.000 1.025 360 I CA -1.740 59.522 61.300 -0.063 0.000 1.197 360 I CB 1.178 39.169 38.000 -0.016 0.000 1.358 360 I HN 0.461 nan 8.210 nan 0.000 0.467 361 P HA 0.003 nan 4.420 nan 0.000 0.264 361 P C 0.349 177.719 177.300 0.117 0.000 1.183 361 P CA 0.177 63.329 63.100 0.086 0.000 0.763 361 P CB 0.614 32.361 31.700 0.078 0.000 0.807 362 E N 1.708 121.982 120.200 0.122 0.000 2.268 362 E HA -0.177 4.173 4.350 0.001 0.000 0.195 362 E C 1.361 178.015 176.600 0.091 0.000 0.995 362 E CA 0.716 57.176 56.400 0.100 0.000 0.836 362 E CB 0.018 29.777 29.700 0.099 0.000 0.763 362 E HN 0.508 nan 8.360 nan 0.000 0.491 363 E N 0.347 120.602 120.200 0.093 0.000 2.204 363 E HA -0.131 4.220 4.350 0.001 0.000 0.194 363 E C 2.034 178.698 176.600 0.106 0.000 0.989 363 E CA 0.708 57.159 56.400 0.085 0.000 0.824 363 E CB 0.108 29.851 29.700 0.072 0.000 0.756 363 E HN 0.372 nan 8.360 nan 0.000 0.477 364 L N -0.369 120.941 121.223 0.145 0.000 2.168 364 L HA 0.057 4.397 4.340 0.001 0.000 0.203 364 L C 0.659 177.647 176.870 0.196 0.000 1.078 364 L CA 0.457 55.418 54.840 0.202 0.000 0.780 364 L CB 0.386 42.640 42.059 0.325 0.000 0.939 364 L HN -0.203 nan 8.230 nan 0.000 0.451 365 V N 1.181 121.191 119.914 0.160 0.000 2.445 365 V HA 0.316 4.436 4.120 0.001 0.000 0.283 365 V C -2.398 173.744 176.094 0.080 0.000 1.014 365 V CA -1.472 60.905 62.300 0.129 0.000 0.852 365 V CB 1.441 33.337 31.823 0.121 0.000 1.021 365 V HN -0.045 nan 8.190 nan 0.000 0.435 366 P HA 0.172 nan 4.420 nan 0.000 0.272 366 P C -0.302 176.997 177.300 -0.001 0.000 1.230 366 P CA -0.014 63.105 63.100 0.033 0.000 0.788 366 P CB 0.922 32.644 31.700 0.037 0.000 0.949 367 V N 3.264 123.146 119.914 -0.054 0.000 2.432 367 V HA 0.085 4.205 4.120 0.001 0.000 0.271 367 V C 0.763 176.846 176.094 -0.019 0.000 1.046 367 V CA -0.024 62.212 62.300 -0.107 0.000 0.945 367 V CB 0.012 31.687 31.823 -0.247 0.000 0.992 367 V HN 0.448 nan 8.190 nan 0.000 0.471 368 Q N 4.937 124.747 119.800 0.016 0.000 2.274 368 Q HA 0.413 4.753 4.340 0.001 0.000 0.256 368 Q C -0.285 175.711 176.000 -0.007 0.000 0.927 368 Q CA -0.555 55.261 55.803 0.020 0.000 0.939 368 Q CB 1.607 30.371 28.738 0.043 0.000 1.201 368 Q HN 0.615 nan 8.270 nan 0.000 0.426 369 R N 1.264 121.785 120.500 0.034 0.000 2.537 369 R HA 0.062 4.402 4.340 0.001 0.000 0.280 369 R C 0.443 176.784 176.300 0.068 0.000 1.058 369 R CA -0.096 56.066 56.100 0.104 0.000 1.057 369 R CB 0.527 30.948 30.300 0.201 0.000 0.973 369 R HN 0.435 nan 8.270 nan 0.000 0.438 370 V N 1.076 120.948 119.914 -0.070 0.000 3.090 370 V HA 0.324 4.444 4.120 0.001 0.000 0.237 370 V C 0.774 176.635 176.094 -0.387 0.000 1.209 370 V CA 1.044 63.181 62.300 -0.272 0.000 1.209 370 V CB 0.973 32.382 31.823 -0.690 0.000 0.971 370 V HN 1.013 nan 8.190 nan 0.000 0.477 371 G N -0.345 108.114 108.800 -0.568 0.000 2.430 371 G HA2 0.496 4.456 3.960 0.001 0.000 0.300 371 G HA3 0.496 4.456 3.960 0.001 0.000 0.300 371 G C -1.873 172.662 174.900 -0.608 0.000 1.330 371 G CA -0.549 43.916 45.100 -1.057 0.000 0.813 371 G HN 0.044 nan 8.290 nan 0.000 0.487 372 K N -0.329 119.733 120.400 -0.563 0.000 2.324 372 K HA 0.726 5.046 4.320 0.001 0.000 0.253 372 K C -0.847 175.775 176.600 0.036 0.000 0.932 372 K CA -0.781 55.469 56.287 -0.062 0.000 0.799 372 K CB 1.994 34.502 32.500 0.013 0.000 1.154 372 K HN 0.575 nan 8.250 nan 0.000 0.425 373 M N 4.733 124.485 119.600 0.252 0.000 2.243 373 M HA 0.390 4.870 4.480 0.001 0.000 0.324 373 M C -1.754 174.519 176.300 -0.044 0.000 1.031 373 M CA -0.769 54.624 55.300 0.155 0.000 0.949 373 M CB 1.637 34.365 32.600 0.215 0.000 1.615 373 M HN 0.332 nan 8.290 nan 0.000 0.430 374 V N 5.789 125.517 119.914 -0.309 0.000 2.487 374 V HA 0.446 4.566 4.120 0.001 0.000 0.298 374 V C -0.885 175.071 176.094 -0.230 0.000 1.028 374 V CA -0.827 61.305 62.300 -0.280 0.000 0.860 374 V CB 1.631 33.187 31.823 -0.445 0.000 0.991 374 V HN 0.671 nan 8.190 nan 0.000 0.427 375 L N 5.896 127.066 121.223 -0.088 0.000 2.255 375 L HA 0.487 4.827 4.340 0.001 0.000 0.289 375 L C 0.682 177.441 176.870 -0.185 0.000 1.046 375 L CA 0.157 54.947 54.840 -0.084 0.000 0.816 375 L CB 0.949 43.016 42.059 0.013 0.000 1.197 375 L HN 0.878 nan 8.230 nan 0.000 0.427 376 N N 2.199 120.699 118.700 -0.334 0.000 2.194 376 N HA 0.160 4.901 4.740 0.001 0.000 0.231 376 N C 0.039 175.339 175.510 -0.351 0.000 1.247 376 N CA -0.287 52.298 53.050 -0.775 0.000 0.884 376 N CB 0.714 38.442 38.487 -1.266 0.000 1.146 376 N HN 0.400 nan 8.380 nan 0.000 0.516 377 R N 0.194 120.608 120.500 -0.145 0.000 2.535 377 R HA 0.313 4.654 4.340 0.001 0.000 0.274 377 R C -1.277 174.974 176.300 -0.082 0.000 1.090 377 R CA -0.553 55.488 56.100 -0.098 0.000 0.930 377 R CB 1.264 31.515 30.300 -0.081 0.000 1.223 377 R HN 0.049 nan 8.270 nan 0.000 0.441 378 N N 2.951 121.486 118.700 -0.276 0.000 2.424 378 N HA 0.290 5.031 4.740 0.001 0.000 0.257 378 N C -2.333 173.115 175.510 -0.103 0.000 1.250 378 N CA -1.289 51.466 53.050 -0.492 0.000 0.946 378 N CB 0.515 38.055 38.487 -1.578 0.000 1.175 378 N HN 0.315 nan 8.380 nan 0.000 0.477 379 P HA 0.087 nan 4.420 nan 0.000 0.271 379 P C 0.219 177.705 177.300 0.309 0.000 1.244 379 P CA -0.044 63.246 63.100 0.318 0.000 0.793 379 P CB 0.873 32.807 31.700 0.389 0.000 0.984 380 D N -1.001 119.556 120.400 0.261 0.000 2.201 380 D HA -0.018 4.622 4.640 0.001 0.000 0.209 380 D C 0.366 176.839 176.300 0.289 0.000 0.961 380 D CA 1.342 55.489 54.000 0.244 0.000 0.861 380 D CB 0.171 41.056 40.800 0.142 0.000 0.997 380 D HN 0.375 nan 8.370 nan 0.000 0.486 381 N N -0.160 118.703 118.700 0.272 0.000 2.461 381 N HA 0.011 4.751 4.740 0.001 0.000 0.284 381 N C 0.031 175.744 175.510 0.339 0.000 1.049 381 N CA -0.329 52.892 53.050 0.285 0.000 0.889 381 N CB 1.504 40.124 38.487 0.223 0.000 1.365 381 N HN -0.161 nan 8.380 nan 0.000 0.499 382 F N 4.241 124.339 119.950 0.246 0.000 2.095 382 F HA -0.172 4.356 4.527 0.000 0.000 0.298 382 F C 1.658 177.589 175.800 0.220 0.000 1.104 382 F CA 1.530 59.676 58.000 0.245 0.000 1.232 382 F CB -0.091 39.027 39.000 0.197 0.000 0.987 382 F HN 0.603 nan 8.300 nan 0.000 0.475 383 F N 0.763 120.944 119.950 0.384 0.000 2.102 383 F HA -0.120 4.407 4.527 0.000 0.000 0.298 383 F C 2.330 178.185 175.800 0.092 0.000 1.105 383 F CA 1.688 59.831 58.000 0.239 0.000 1.239 383 F CB -0.927 38.192 39.000 0.198 0.000 0.991 383 F HN -0.008 nan 8.300 nan 0.000 0.474 384 A N -0.245 122.722 122.820 0.246 0.000 1.902 384 A HA -0.187 4.133 4.320 0.001 0.000 0.217 384 A C 2.067 179.589 177.584 -0.103 0.000 1.181 384 A CA 2.119 54.200 52.037 0.073 0.000 0.623 384 A CB -0.689 18.397 19.000 0.143 0.000 0.818 384 A HN 0.601 nan 8.150 nan 0.000 0.443 385 E N -1.476 118.675 120.200 -0.080 0.000 2.162 385 E HA -0.054 4.296 4.350 0.001 0.000 0.193 385 E C 1.979 178.484 176.600 -0.158 0.000 0.953 385 E CA 0.431 56.722 56.400 -0.182 0.000 0.849 385 E CB -0.117 29.528 29.700 -0.092 0.000 0.810 385 E HN 0.565 nan 8.360 nan 0.000 0.470 386 N N 1.326 119.928 118.700 -0.164 0.000 2.176 386 N HA -0.157 4.584 4.740 0.001 0.000 0.187 386 N C 1.830 177.167 175.510 -0.290 0.000 1.043 386 N CA 1.316 54.217 53.050 -0.250 0.000 0.851 386 N CB 0.055 38.005 38.487 -0.895 0.000 1.018 386 N HN -0.072 nan 8.380 nan 0.000 0.436 387 E N 0.853 120.814 120.200 -0.398 0.000 2.085 387 E HA -0.127 4.223 4.350 0.001 0.000 0.194 387 E C 1.692 178.097 176.600 -0.324 0.000 0.994 387 E CA 1.542 57.775 56.400 -0.277 0.000 0.801 387 E CB -0.156 29.387 29.700 -0.261 0.000 0.743 387 E HN 0.507 nan 8.360 nan 0.000 0.453 388 Q N -0.318 119.227 119.800 -0.425 0.000 2.444 388 Q HA 0.232 4.572 4.340 0.001 0.000 0.206 388 Q C 0.086 175.964 176.000 -0.205 0.000 0.948 388 Q CA 0.219 55.827 55.803 -0.324 0.000 0.946 388 Q CB 0.405 28.938 28.738 -0.343 0.000 1.027 388 Q HN 0.216 nan 8.270 nan 0.000 0.513 389 A N 1.236 123.954 122.820 -0.169 0.000 2.498 389 A HA 0.438 4.759 4.320 0.001 0.000 0.239 389 A C -0.112 177.361 177.584 -0.185 0.000 1.068 389 A CA 0.244 52.164 52.037 -0.195 0.000 0.766 389 A CB 0.230 19.202 19.000 -0.047 0.000 1.003 389 A HN 0.277 nan 8.150 nan 0.000 0.497 390 A N 2.319 124.961 122.820 -0.296 0.000 2.340 390 A HA 0.695 5.015 4.320 0.001 0.000 0.297 390 A C -0.783 176.659 177.584 -0.237 0.000 1.195 390 A CA -0.418 51.512 52.037 -0.180 0.000 0.769 390 A CB 0.342 19.237 19.000 -0.175 0.000 1.163 390 A HN 0.640 nan 8.150 nan 0.000 0.472 391 F N 0.907 120.847 119.950 -0.017 0.000 2.458 391 F HA 0.660 5.188 4.527 0.001 0.000 0.330 391 F C 0.366 176.100 175.800 -0.109 0.000 1.082 391 F CA -0.103 57.860 58.000 -0.062 0.000 0.995 391 F CB 1.963 40.887 39.000 -0.126 0.000 1.170 391 F HN 0.741 nan 8.300 nan 0.000 0.478 392 H N 3.066 121.956 119.070 -0.300 0.000 3.042 392 H HA 0.287 4.843 4.556 0.001 0.000 0.345 392 H C -2.409 172.541 175.328 -0.631 0.000 1.052 392 H CA -1.849 53.766 56.048 -0.721 0.000 1.311 392 H CB 2.635 31.828 29.762 -0.948 0.000 1.810 392 H HN 0.167 nan 8.280 nan 0.000 0.505 393 P HA -0.025 nan 4.420 nan 0.000 0.225 393 P C 1.166 178.337 177.300 -0.215 0.000 1.148 393 P CA 1.379 64.195 63.100 -0.473 0.000 0.779 393 P CB 0.136 31.598 31.700 -0.396 0.000 0.780 394 G N -1.230 107.237 108.800 -0.556 0.000 2.650 394 G HA2 -0.138 3.822 3.960 0.001 0.000 0.214 394 G HA3 -0.138 3.822 3.960 0.001 0.000 0.214 394 G C 0.439 175.553 174.900 0.357 0.000 1.136 394 G CA -0.028 45.092 45.100 0.033 0.000 0.789 394 G HN 0.421 nan 8.290 nan 0.000 0.536 395 H N 0.841 120.029 119.070 0.197 0.000 3.224 395 H HA 0.327 4.883 4.556 0.000 0.000 0.265 395 H C 0.530 175.957 175.328 0.164 0.000 1.461 395 H CA -0.735 55.396 56.048 0.139 0.000 1.509 395 H CB -0.078 29.729 29.762 0.075 0.000 1.686 395 H HN 0.365 nan 8.280 nan 0.000 0.514 396 I N -0.261 120.425 120.570 0.192 0.000 3.100 396 I HA 0.686 4.856 4.170 0.001 0.000 0.312 396 I C -0.149 175.938 176.117 -0.051 0.000 1.063 396 I CA -1.404 59.926 61.300 0.049 0.000 1.031 396 I CB 1.913 39.825 38.000 -0.147 0.000 1.243 396 I HN 0.114 nan 8.210 nan 0.000 0.483 397 V N -1.978 117.891 119.914 -0.075 0.000 3.102 397 V HA 0.669 4.790 4.120 0.001 0.000 0.312 397 V C -2.846 173.338 176.094 0.149 0.000 1.135 397 V CA -2.561 59.756 62.300 0.028 0.000 1.022 397 V CB 1.032 32.856 31.823 0.001 0.000 1.056 397 V HN 0.638 nan 8.190 nan 0.000 0.436 398 P HA 0.362 nan 4.420 nan 0.000 0.262 398 P C 0.902 178.206 177.300 0.007 0.000 1.182 398 P CA 1.913 65.094 63.100 0.134 0.000 0.761 398 P CB 0.612 32.365 31.700 0.089 0.000 0.795 399 G N 1.746 110.506 108.800 -0.067 0.000 2.231 399 G HA2 -0.150 3.810 3.960 0.001 0.000 0.206 399 G HA3 -0.150 3.810 3.960 0.001 0.000 0.206 399 G C -0.266 174.550 174.900 -0.140 0.000 0.996 399 G CA -0.444 44.592 45.100 -0.106 0.000 0.645 399 G HN 0.449 nan 8.290 nan 0.000 0.498 400 L N 0.134 121.286 121.223 -0.118 0.000 2.323 400 L HA 0.916 5.256 4.340 0.001 0.000 0.265 400 L C -0.590 176.223 176.870 -0.095 0.000 1.012 400 L CA -1.046 53.703 54.840 -0.152 0.000 0.820 400 L CB 2.106 44.002 42.059 -0.271 0.000 1.334 400 L HN 0.097 nan 8.230 nan 0.000 0.427 401 D N -0.618 119.716 120.400 -0.110 0.000 2.639 401 D HA 0.441 5.081 4.640 0.001 0.000 0.271 401 D C -1.257 175.012 176.300 -0.053 0.000 1.254 401 D CA -0.350 53.559 54.000 -0.150 0.000 0.810 401 D CB 1.933 42.711 40.800 -0.037 0.000 1.351 401 D HN 0.111 nan 8.370 nan 0.000 0.427 402 F N -0.133 119.947 119.950 0.216 0.000 2.364 402 F HA 0.527 5.054 4.527 0.000 0.000 0.316 402 F C 1.497 177.326 175.800 0.048 0.000 1.133 402 F CA -0.278 57.788 58.000 0.110 0.000 1.051 402 F CB 1.157 40.192 39.000 0.059 0.000 1.342 402 F HN 0.185 nan 8.300 nan 0.000 0.507 403 T N -3.199 111.451 114.554 0.160 0.000 2.831 403 T HA 0.312 4.662 4.350 0.001 0.000 0.287 403 T C -0.056 174.670 174.700 0.043 0.000 1.070 403 T CA -1.006 61.160 62.100 0.110 0.000 1.010 403 T CB 1.272 70.176 68.868 0.061 0.000 1.264 403 T HN 0.364 nan 8.240 nan 0.000 0.532 404 N N 1.129 119.860 118.700 0.053 0.000 2.449 404 N HA 0.057 4.797 4.740 0.001 0.000 0.191 404 N C 0.067 175.580 175.510 0.003 0.000 1.161 404 N CA 0.069 53.134 53.050 0.025 0.000 0.863 404 N CB -0.397 38.122 38.487 0.052 0.000 0.980 404 N HN 0.711 nan 8.380 nan 0.000 0.458 405 D N 2.224 122.610 120.400 -0.023 0.000 2.581 405 D HA -0.076 4.565 4.640 0.001 0.000 0.238 405 D C -1.442 174.846 176.300 -0.020 0.000 1.145 405 D CA -0.917 53.093 54.000 0.018 0.000 0.866 405 D CB 1.335 42.097 40.800 -0.063 0.000 1.151 405 D HN 0.132 nan 8.370 nan 0.000 0.500 406 P HA -0.074 nan 4.420 nan 0.000 0.233 406 P C 1.467 178.777 177.300 0.017 0.000 1.167 406 P CA 0.118 63.229 63.100 0.019 0.000 0.770 406 P CB 0.378 32.087 31.700 0.015 0.000 0.837 407 L N -0.376 120.874 121.223 0.045 0.000 2.102 407 L HA 0.045 4.385 4.340 0.001 0.000 0.202 407 L C 2.309 179.104 176.870 -0.124 0.000 1.076 407 L CA 1.181 56.045 54.840 0.041 0.000 0.761 407 L CB -1.499 40.662 42.059 0.171 0.000 0.921 407 L HN -0.183 nan 8.230 nan 0.000 0.444 408 L N -0.443 120.548 121.223 -0.386 0.000 2.042 408 L HA -0.222 4.118 4.340 0.001 0.000 0.210 408 L C 2.445 179.064 176.870 -0.419 0.000 1.076 408 L CA 1.805 56.197 54.840 -0.746 0.000 0.749 408 L CB -0.879 40.468 42.059 -1.186 0.000 0.893 408 L HN 0.374 nan 8.230 nan 0.000 0.432 409 Q N -0.224 119.403 119.800 -0.289 0.000 2.096 409 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 409 Q C 2.091 178.008 176.000 -0.137 0.000 0.982 409 Q CA 1.746 57.421 55.803 -0.213 0.000 0.850 409 Q CB -0.729 27.932 28.738 -0.128 0.000 0.901 409 Q HN 0.718 nan 8.270 nan 0.000 0.422 410 G N 0.508 109.257 108.800 -0.085 0.000 2.430 410 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 410 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 410 G C 1.518 176.435 174.900 0.028 0.000 1.146 410 G CA 0.084 45.182 45.100 -0.004 0.000 0.793 410 G HN 0.232 nan 8.290 nan 0.000 0.537 411 R N -0.035 120.427 120.500 -0.063 0.000 2.105 411 R HA 0.016 4.356 4.340 0.001 0.000 0.239 411 R C 2.517 178.835 176.300 0.029 0.000 1.135 411 R CA 0.936 57.043 56.100 0.012 0.000 0.967 411 R CB -0.509 29.750 30.300 -0.068 0.000 0.861 411 R HN 0.339 nan 8.270 nan 0.000 0.442 412 L N -0.365 120.778 121.223 -0.133 0.000 2.129 412 L HA -0.221 4.119 4.340 0.001 0.000 0.212 412 L C 2.316 179.279 176.870 0.154 0.000 1.087 412 L CA 1.254 56.015 54.840 -0.131 0.000 0.757 412 L CB -0.494 41.380 42.059 -0.308 0.000 0.896 412 L HN 0.163 nan 8.230 nan 0.000 0.434 413 F N 0.119 120.092 119.950 0.037 0.000 2.149 413 F HA -0.164 4.363 4.527 0.000 0.000 0.294 413 F C 2.811 178.680 175.800 0.116 0.000 1.095 413 F CA 1.509 59.551 58.000 0.070 0.000 1.276 413 F CB -0.269 38.746 39.000 0.025 0.000 1.023 413 F HN -0.059 nan 8.300 nan 0.000 0.480 414 S N -0.649 115.095 115.700 0.074 0.000 2.368 414 S HA -0.226 4.245 4.470 0.001 0.000 0.225 414 S C 2.061 176.598 174.600 -0.104 0.000 1.030 414 S CA 1.648 59.799 58.200 -0.082 0.000 0.999 414 S CB -0.772 62.415 63.200 -0.023 0.000 0.844 414 S HN 0.569 nan 8.310 nan 0.000 0.459 415 Y N 1.273 121.584 120.300 0.019 0.000 2.263 415 Y HA -0.042 4.508 4.550 0.000 0.000 0.292 415 Y C 3.014 178.756 175.900 -0.264 0.000 1.130 415 Y CA 1.211 59.320 58.100 0.014 0.000 1.179 415 Y CB -0.907 37.789 38.460 0.393 0.000 0.998 415 Y HN 0.229 nan 8.280 nan 0.000 0.532 416 T N -0.312 114.081 114.554 -0.268 0.000 2.746 416 T HA -0.230 4.120 4.350 0.001 0.000 0.267 416 T C 1.395 175.945 174.700 -0.250 0.000 1.039 416 T CA 1.811 63.715 62.100 -0.327 0.000 1.142 416 T CB -0.472 68.236 68.868 -0.267 0.000 0.866 416 T HN 0.365 nan 8.240 nan 0.000 0.444 417 D N 0.439 120.637 120.400 -0.337 0.000 2.084 417 D HA -0.110 4.530 4.640 0.001 0.000 0.194 417 D C 2.319 178.500 176.300 -0.199 0.000 0.990 417 D CA 1.563 55.373 54.000 -0.316 0.000 0.826 417 D CB -0.499 39.959 40.800 -0.571 0.000 0.971 417 D HN 0.240 nan 8.370 nan 0.000 0.453 418 T N -1.046 113.387 114.554 -0.201 0.000 2.833 418 T HA -0.135 4.216 4.350 0.001 0.000 0.269 418 T C 1.795 176.393 174.700 -0.169 0.000 1.054 418 T CA 1.357 63.367 62.100 -0.151 0.000 1.135 418 T CB -0.184 68.591 68.868 -0.154 0.000 0.869 418 T HN 0.203 nan 8.240 nan 0.000 0.466 419 Q N -0.065 119.573 119.800 -0.270 0.000 2.297 419 Q HA 0.040 4.381 4.340 0.001 0.000 0.204 419 Q C 2.119 177.980 176.000 -0.231 0.000 0.962 419 Q CA 0.666 56.235 55.803 -0.391 0.000 0.879 419 Q CB -0.026 28.187 28.738 -0.875 0.000 0.947 419 Q HN 0.457 nan 8.270 nan 0.000 0.462 420 I N 0.422 120.933 120.570 -0.098 0.000 2.208 420 I HA -0.263 3.907 4.170 0.001 0.000 0.245 420 I C 2.366 178.504 176.117 0.035 0.000 1.097 420 I CA 1.864 63.188 61.300 0.040 0.000 1.363 420 I CB -1.445 36.578 38.000 0.040 0.000 1.051 420 I HN 0.243 nan 8.210 nan 0.000 0.413 421 S N 0.278 115.977 115.700 -0.002 0.000 2.421 421 S HA -0.074 4.396 4.470 0.001 0.000 0.224 421 S C 2.161 176.771 174.600 0.017 0.000 1.035 421 S CA 0.196 58.407 58.200 0.018 0.000 0.953 421 S CB -0.326 62.882 63.200 0.013 0.000 0.810 421 S HN 0.324 nan 8.310 nan 0.000 0.497 422 R N 0.949 121.436 120.500 -0.020 0.000 2.081 422 R HA 0.148 4.489 4.340 0.001 0.000 0.235 422 R C 1.256 177.554 176.300 -0.002 0.000 1.131 422 R CA 1.437 57.526 56.100 -0.019 0.000 0.960 422 R CB -0.264 30.001 30.300 -0.058 0.000 0.856 422 R HN 0.456 nan 8.270 nan 0.000 0.436 423 L N -0.495 120.721 121.223 -0.012 0.000 2.818 423 L HA 0.339 4.679 4.340 0.001 0.000 0.243 423 L C 0.728 177.668 176.870 0.118 0.000 1.185 423 L CA 0.228 55.083 54.840 0.025 0.000 0.988 423 L CB 1.133 43.190 42.059 -0.004 0.000 1.292 423 L HN 0.556 nan 8.230 nan 0.000 0.519 424 G N -0.093 108.795 108.800 0.147 0.000 2.148 424 G HA2 -0.115 3.845 3.960 0.001 0.000 0.254 424 G HA3 -0.115 3.845 3.960 0.001 0.000 0.254 424 G C 0.440 175.492 174.900 0.253 0.000 0.981 424 G CA 0.064 45.312 45.100 0.247 0.000 0.670 424 G HN 0.799 nan 8.290 nan 0.000 0.528 425 G N -1.742 107.191 108.800 0.222 0.000 2.343 425 G HA2 0.599 4.559 3.960 0.001 0.000 0.289 425 G HA3 0.599 4.559 3.960 0.001 0.000 0.289 425 G C -2.246 172.812 174.900 0.264 0.000 1.295 425 G CA 0.360 45.574 45.100 0.191 0.000 0.869 425 G HN 0.445 nan 8.290 nan 0.000 0.522 426 P HA 0.145 nan 4.420 nan 0.000 0.255 426 P C 0.240 177.514 177.300 -0.043 0.000 1.248 426 P CA 0.319 63.497 63.100 0.130 0.000 0.807 426 P CB 0.251 31.997 31.700 0.077 0.000 1.150 427 N N 0.430 119.121 118.700 -0.015 0.000 2.320 427 N HA 0.074 4.815 4.740 0.001 0.000 0.237 427 N C 0.969 176.282 175.510 -0.329 0.000 1.129 427 N CA -0.204 52.717 53.050 -0.216 0.000 0.854 427 N CB -0.501 37.917 38.487 -0.114 0.000 1.083 427 N HN 0.240 nan 8.380 nan 0.000 0.504 428 F N 0.716 120.635 119.950 -0.053 0.000 2.365 428 F HA -0.058 4.469 4.527 0.000 0.000 0.300 428 F C 2.188 177.907 175.800 -0.134 0.000 1.090 428 F CA 0.734 58.682 58.000 -0.087 0.000 1.408 428 F CB -0.772 38.206 39.000 -0.038 0.000 1.060 428 F HN 0.173 nan 8.300 nan 0.000 0.534 429 H N 0.324 119.058 119.070 -0.559 0.000 2.546 429 H HA 0.091 4.648 4.556 0.000 0.000 0.277 429 H C 0.805 175.988 175.328 -0.243 0.000 1.004 429 H CA 1.244 57.065 56.048 -0.377 0.000 1.231 429 H CB -0.701 28.703 29.762 -0.597 0.000 1.382 429 H HN 0.522 nan 8.280 nan 0.000 0.580 430 E N 0.970 120.763 120.200 -0.679 0.000 2.474 430 E HA 0.181 4.531 4.350 0.001 0.000 0.194 430 E C 0.323 176.805 176.600 -0.197 0.000 1.041 430 E CA -0.264 55.901 56.400 -0.391 0.000 0.874 430 E CB 0.541 30.014 29.700 -0.378 0.000 0.914 430 E HN 0.429 nan 8.360 nan 0.000 0.498 431 I N 2.806 123.280 120.570 -0.160 0.000 2.598 431 I HA -0.041 4.129 4.170 0.001 0.000 0.284 431 I C -1.537 174.518 176.117 -0.103 0.000 1.140 431 I CA -1.567 59.669 61.300 -0.107 0.000 1.420 431 I CB 0.583 38.534 38.000 -0.083 0.000 1.387 431 I HN -0.177 nan 8.210 nan 0.000 0.553 432 P HA -0.262 nan 4.420 nan 0.000 0.217 432 P C 1.737 178.965 177.300 -0.120 0.000 1.162 432 P CA 1.360 64.402 63.100 -0.096 0.000 0.901 432 P CB 0.159 31.809 31.700 -0.083 0.000 0.793 433 I N -0.783 119.688 120.570 -0.164 0.000 2.335 433 I HA -0.208 3.962 4.170 0.001 0.000 0.251 433 I C 1.340 177.381 176.117 -0.127 0.000 1.129 433 I CA 1.740 62.896 61.300 -0.239 0.000 1.402 433 I CB -0.652 37.093 38.000 -0.426 0.000 1.069 433 I HN -0.108 nan 8.210 nan 0.000 0.424 434 N N 0.643 119.286 118.700 -0.095 0.000 2.422 434 N HA 0.042 4.782 4.740 0.001 0.000 0.181 434 N C 0.218 175.735 175.510 0.012 0.000 1.080 434 N CA 0.187 53.210 53.050 -0.045 0.000 0.893 434 N CB -0.100 38.379 38.487 -0.013 0.000 0.973 434 N HN 0.384 nan 8.380 nan 0.000 0.456 435 R N 1.726 122.229 120.500 0.005 0.000 2.570 435 R HA 0.142 4.482 4.340 0.001 0.000 0.277 435 R C -2.187 174.168 176.300 0.090 0.000 1.039 435 R CA -1.164 54.942 56.100 0.010 0.000 1.065 435 R CB -0.170 30.119 30.300 -0.018 0.000 0.964 435 R HN 0.043 nan 8.270 nan 0.000 0.428 436 P HA -0.021 nan 4.420 nan 0.000 0.270 436 P C 0.551 177.912 177.300 0.103 0.000 1.223 436 P CA 0.012 63.176 63.100 0.107 0.000 0.785 436 P CB 0.611 32.334 31.700 0.038 0.000 0.923 437 T N -2.937 111.690 114.554 0.121 0.000 3.044 437 T HA 0.078 4.428 4.350 0.001 0.000 0.250 437 T C 0.906 175.642 174.700 0.061 0.000 1.081 437 T CA 0.004 62.135 62.100 0.051 0.000 1.040 437 T CB -0.995 67.887 68.868 0.023 0.000 0.962 437 T HN 0.592 nan 8.240 nan 0.000 0.506 438 C N 1.251 120.601 119.300 0.083 0.000 2.347 438 C HA 0.803 5.263 4.460 0.001 0.000 0.366 438 C C -2.497 172.546 174.990 0.088 0.000 1.241 438 C CA -2.526 56.541 59.018 0.082 0.000 2.360 438 C CB 0.246 28.039 27.740 0.088 0.000 2.290 438 C HN 0.165 nan 8.230 nan 0.000 0.587 439 P HA 0.303 nan 4.420 nan 0.000 0.271 439 P C -1.259 176.111 177.300 0.117 0.000 1.216 439 P CA 0.400 63.568 63.100 0.113 0.000 0.776 439 P CB -0.014 31.799 31.700 0.189 0.000 0.881 440 Y N 0.900 121.089 120.300 -0.185 0.000 2.354 440 Y HA 0.638 5.188 4.550 0.000 0.000 0.330 440 Y C -1.471 174.110 175.900 -0.530 0.000 1.011 440 Y CA -0.897 57.072 58.100 -0.219 0.000 1.099 440 Y CB 1.334 39.684 38.460 -0.183 0.000 1.179 440 Y HN 0.424 nan 8.280 nan 0.000 0.442 441 H N 4.093 123.071 119.070 -0.154 0.000 2.856 441 H HA 0.528 5.084 4.556 0.000 0.000 0.355 441 H C -1.152 174.051 175.328 -0.209 0.000 1.079 441 H CA -0.748 55.123 56.048 -0.295 0.000 1.240 441 H CB 1.630 31.256 29.762 -0.228 0.000 1.701 441 H HN 0.892 nan 8.280 nan 0.000 0.527 442 N N 0.495 119.074 118.700 -0.202 0.000 3.378 442 N HA 0.184 4.924 4.740 0.001 0.000 0.294 442 N C -1.183 174.091 175.510 -0.393 0.000 1.544 442 N CA -0.923 51.975 53.050 -0.253 0.000 0.872 442 N CB 0.663 39.153 38.487 0.006 0.000 1.670 442 N HN 0.302 nan 8.380 nan 0.000 0.551 443 F N -0.396 119.591 119.950 0.062 0.000 2.641 443 F HA 0.353 4.880 4.527 0.000 0.000 0.302 443 F C 0.413 176.252 175.800 0.065 0.000 1.098 443 F CA -0.362 57.671 58.000 0.055 0.000 1.318 443 F CB 0.273 39.303 39.000 0.050 0.000 1.035 443 F HN 0.144 nan 8.300 nan 0.000 0.551 444 Q N 1.723 121.625 119.800 0.171 0.000 2.332 444 Q HA 0.346 4.686 4.340 0.001 0.000 0.263 444 Q C 0.053 176.124 176.000 0.119 0.000 0.979 444 Q CA 0.073 55.956 55.803 0.134 0.000 0.885 444 Q CB 0.982 29.777 28.738 0.094 0.000 1.218 444 Q HN 0.103 nan 8.270 nan 0.000 0.405 445 R N 1.723 122.288 120.500 0.107 0.000 2.855 445 R HA 0.369 4.709 4.340 0.001 0.000 0.266 445 R C -0.496 175.848 176.300 0.073 0.000 1.034 445 R CA -0.681 55.473 56.100 0.090 0.000 0.944 445 R CB 1.016 31.373 30.300 0.094 0.000 1.219 445 R HN 0.698 nan 8.270 nan 0.000 0.474 446 D N -0.195 120.240 120.400 0.059 0.000 3.301 446 D HA -0.195 4.445 4.640 0.001 0.000 0.217 446 D C 0.405 176.729 176.300 0.039 0.000 1.548 446 D CA 2.064 56.090 54.000 0.043 0.000 1.118 446 D CB -1.083 39.740 40.800 0.038 0.000 0.684 446 D HN 0.896 nan 8.370 nan 0.000 0.821 447 G N -1.435 107.381 108.800 0.025 0.000 2.712 447 G HA2 0.161 4.122 3.960 0.001 0.000 0.686 447 G HA3 0.161 4.122 3.960 0.001 0.000 0.686 447 G C -0.226 174.668 174.900 -0.010 0.000 1.321 447 G CA 0.055 45.165 45.100 0.017 0.000 0.813 447 G HN 0.775 nan 8.290 nan 0.000 0.599 448 M N 1.465 121.034 119.600 -0.051 0.000 2.245 448 M HA 0.402 4.883 4.480 0.001 0.000 0.335 448 M C 1.296 177.540 176.300 -0.093 0.000 1.155 448 M CA 1.472 56.661 55.300 -0.185 0.000 1.055 448 M CB -0.785 31.602 32.600 -0.356 0.000 1.670 448 M HN 1.239 nan 8.290 nan 0.000 0.447 449 H N -0.223 118.849 119.070 0.002 0.000 2.826 449 H HA -0.178 4.378 4.556 0.001 0.000 0.306 449 H C -0.429 174.886 175.328 -0.023 0.000 1.235 449 H CA 0.516 56.560 56.048 -0.006 0.000 1.150 449 H CB -1.532 28.229 29.762 -0.003 0.000 1.409 449 H HN 0.582 nan 8.280 nan 0.000 0.420 450 R N 1.346 121.884 120.500 0.064 0.000 2.351 450 R HA 0.123 4.463 4.340 0.001 0.000 0.318 450 R C 0.923 177.236 176.300 0.023 0.000 1.055 450 R CA -0.072 56.047 56.100 0.032 0.000 0.968 450 R CB 0.363 30.680 30.300 0.028 0.000 0.974 450 R HN 0.284 nan 8.270 nan 0.000 0.439 451 M N 2.561 122.162 119.600 0.000 0.000 2.412 451 M HA 0.213 4.693 4.480 0.001 0.000 0.263 451 M C 0.959 177.257 176.300 -0.004 0.000 1.122 451 M CA 1.014 56.310 55.300 -0.006 0.000 1.179 451 M CB -0.826 31.756 32.600 -0.029 0.000 1.335 451 M HN 0.706 nan 8.290 nan 0.000 0.465 452 G N 1.871 110.672 108.800 0.001 0.000 2.365 452 G HA2 0.372 4.332 3.960 0.001 0.000 0.249 452 G HA3 0.372 4.332 3.960 0.001 0.000 0.249 452 G C -0.365 174.531 174.900 -0.006 0.000 1.288 452 G CA -0.357 44.740 45.100 -0.006 0.000 0.887 452 G HN 0.324 nan 8.290 nan 0.000 0.524 453 I N 2.917 123.477 120.570 -0.015 0.000 2.307 453 I HA 0.097 4.268 4.170 0.001 0.000 0.287 453 I C -0.226 175.882 176.117 -0.015 0.000 1.054 453 I CA -0.521 60.774 61.300 -0.008 0.000 1.218 453 I CB 0.875 38.871 38.000 -0.006 0.000 1.398 453 I HN 0.358 nan 8.210 nan 0.000 0.475 454 D N 4.707 125.102 120.400 -0.008 0.000 2.351 454 D HA 0.070 4.710 4.640 0.001 0.000 0.251 454 D C 1.172 177.473 176.300 0.002 0.000 1.137 454 D CA 0.257 54.250 54.000 -0.012 0.000 0.879 454 D CB 1.811 42.611 40.800 -0.001 0.000 1.181 454 D HN 0.561 nan 8.370 nan 0.000 0.448 455 T N -0.952 113.600 114.554 -0.005 0.000 3.040 455 T HA -0.045 4.305 4.350 0.001 0.000 0.250 455 T C 0.821 175.529 174.700 0.014 0.000 1.058 455 T CA -0.533 61.569 62.100 0.003 0.000 0.988 455 T CB 0.202 69.065 68.868 -0.008 0.000 0.993 455 T HN 0.117 nan 8.240 nan 0.000 0.519 456 N N 3.310 122.020 118.700 0.016 0.000 2.412 456 N HA 0.108 4.848 4.740 0.001 0.000 0.258 456 N C -1.631 173.917 175.510 0.064 0.000 1.236 456 N CA -1.529 51.544 53.050 0.038 0.000 0.882 456 N CB 1.498 40.008 38.487 0.039 0.000 1.066 456 N HN 0.046 nan 8.380 nan 0.000 0.465 457 P HA -0.013 nan 4.420 nan 0.000 0.218 457 P C -0.501 176.860 177.300 0.102 0.000 1.149 457 P CA 0.960 64.105 63.100 0.075 0.000 0.817 457 P CB 0.170 31.909 31.700 0.065 0.000 0.785 458 A N 0.613 123.484 122.820 0.085 0.000 2.303 458 A HA 0.404 4.724 4.320 0.001 0.000 0.317 458 A C 0.493 178.189 177.584 0.186 0.000 1.149 458 A CA -0.602 51.451 52.037 0.026 0.000 0.822 458 A CB -0.062 18.778 19.000 -0.267 0.000 1.131 458 A HN 0.302 nan 8.150 nan 0.000 0.493 459 N N -0.060 118.788 118.700 0.247 0.000 2.351 459 N HA 0.357 5.097 4.740 0.001 0.000 0.254 459 N C -0.852 174.835 175.510 0.294 0.000 1.241 459 N CA -0.361 52.908 53.050 0.365 0.000 0.883 459 N CB 0.354 39.004 38.487 0.271 0.000 1.202 459 N HN 0.701 nan 8.380 nan 0.000 0.512 460 Y N -0.970 119.212 120.300 -0.196 0.000 2.638 460 Y HA 0.684 5.234 4.550 0.001 0.000 0.335 460 Y C -1.601 173.705 175.900 -0.989 0.000 1.155 460 Y CA -1.345 56.450 58.100 -0.508 0.000 1.046 460 Y CB 1.062 39.392 38.460 -0.218 0.000 1.303 460 Y HN 0.070 nan 8.280 nan 0.000 0.460 461 E N 0.824 120.576 120.200 -0.746 0.000 2.366 461 E HA 0.617 4.967 4.350 0.001 0.000 0.278 461 E C -3.215 173.279 176.600 -0.177 0.000 0.923 461 E CA -1.974 54.071 56.400 -0.592 0.000 0.761 461 E CB 1.681 30.972 29.700 -0.681 0.000 1.231 461 E HN 0.577 nan 8.360 nan 0.000 0.443 462 P HA 0.279 nan 4.420 nan 0.000 0.275 462 P C -1.243 175.999 177.300 -0.097 0.000 1.227 462 P CA -0.382 62.648 63.100 -0.116 0.000 0.781 462 P CB 0.480 32.147 31.700 -0.055 0.000 0.906 463 N N -1.246 117.323 118.700 -0.217 0.000 2.321 463 N HA 0.368 5.108 4.740 0.001 0.000 0.290 463 N C 0.286 175.741 175.510 -0.091 0.000 1.212 463 N CA -0.764 52.162 53.050 -0.205 0.000 0.767 463 N CB 1.407 39.487 38.487 -0.680 0.000 1.494 463 N HN 0.189 nan 8.380 nan 0.000 0.479 464 S N 0.311 116.006 115.700 -0.009 0.000 2.497 464 S HA 0.004 4.474 4.470 0.001 0.000 0.218 464 S C 1.575 176.185 174.600 0.016 0.000 1.023 464 S CA 0.002 58.201 58.200 -0.000 0.000 0.913 464 S CB -0.801 62.411 63.200 0.022 0.000 0.800 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -0.467 120.119 120.570 0.027 0.000 2.756 465 I HA 0.175 4.345 4.170 0.001 0.000 0.262 465 I C 1.265 177.410 176.117 0.047 0.000 1.225 465 I CA 1.365 62.692 61.300 0.046 0.000 1.472 465 I CB -0.367 37.680 38.000 0.078 0.000 1.094 465 I HN 0.186 nan 8.210 nan 0.000 0.454 466 N N 1.061 119.786 118.700 0.042 0.000 2.351 466 N HA 0.044 4.784 4.740 0.001 0.000 0.254 466 N C -0.072 175.546 175.510 0.179 0.000 1.241 466 N CA -0.023 53.095 53.050 0.113 0.000 0.883 466 N CB 0.002 38.569 38.487 0.133 0.000 1.202 466 N HN 0.226 nan 8.380 nan 0.000 0.512 467 D N 0.650 121.103 120.400 0.087 0.000 2.837 467 D HA -0.260 4.380 4.640 0.001 0.000 0.230 467 D C -0.128 176.062 176.300 -0.183 0.000 1.152 467 D CA 1.131 55.147 54.000 0.028 0.000 0.736 467 D CB -1.380 39.519 40.800 0.165 0.000 1.084 467 D HN 0.488 nan 8.370 nan 0.000 0.429 468 N N -1.699 116.919 118.700 -0.136 0.000 2.782 468 N HA -0.242 4.499 4.740 0.001 0.000 0.251 468 N C -0.871 174.540 175.510 -0.166 0.000 1.101 468 N CA 1.404 54.342 53.050 -0.187 0.000 0.764 468 N CB -1.331 37.005 38.487 -0.251 0.000 1.122 468 N HN 0.533 nan 8.380 nan 0.000 0.561 469 W N 0.899 122.245 121.300 0.077 0.000 2.381 469 W HA 0.466 5.126 4.660 0.000 0.000 0.329 469 W C -1.639 174.915 176.519 0.058 0.000 1.157 469 W CA -1.641 55.733 57.345 0.049 0.000 1.240 469 W CB 0.594 30.035 29.460 -0.032 0.000 1.199 469 W HN -0.033 nan 8.180 nan 0.000 0.579 470 P HA 0.202 nan 4.420 nan 0.000 0.274 470 P C -0.674 176.761 177.300 0.224 0.000 1.231 470 P CA -0.145 63.100 63.100 0.242 0.000 0.790 470 P CB 0.962 32.656 31.700 -0.011 0.000 0.951 471 R N 0.689 121.305 120.500 0.193 0.000 2.732 471 R HA 0.336 4.676 4.340 0.001 0.000 0.278 471 R C 0.224 176.558 176.300 0.057 0.000 0.976 471 R CA -0.855 55.239 56.100 -0.010 0.000 0.963 471 R CB 1.284 31.367 30.300 -0.360 0.000 1.150 471 R HN 0.482 nan 8.270 nan 0.000 0.478 472 E N 0.636 120.855 120.200 0.032 0.000 2.418 472 E HA 0.044 4.394 4.350 0.001 0.000 0.261 472 E C -0.572 176.051 176.600 0.038 0.000 1.070 472 E CA 0.639 57.069 56.400 0.049 0.000 0.931 472 E CB 0.689 30.409 29.700 0.034 0.000 0.954 472 E HN 0.339 nan 8.360 nan 0.000 0.439 473 T N 3.538 118.126 114.554 0.056 0.000 2.879 473 T HA 0.330 4.680 4.350 0.001 0.000 0.290 473 T C -2.452 172.273 174.700 0.041 0.000 0.993 473 T CA -1.591 60.540 62.100 0.052 0.000 0.975 473 T CB 1.419 70.329 68.868 0.071 0.000 0.981 473 T HN 0.251 nan 8.240 nan 0.000 0.439 474 P HA 0.243 nan 4.420 nan 0.000 0.269 474 P C -2.569 174.738 177.300 0.012 0.000 1.215 474 P CA -1.306 61.803 63.100 0.014 0.000 0.780 474 P CB -0.492 31.211 31.700 0.006 0.000 0.898 475 P HA 0.320 nan 4.420 nan 0.000 0.271 475 P C 0.048 177.338 177.300 -0.018 0.000 1.218 475 P CA 0.367 63.454 63.100 -0.023 0.000 0.780 475 P CB 0.650 32.316 31.700 -0.057 0.000 0.901 476 G N 1.644 110.433 108.800 -0.018 0.000 2.548 476 G HA2 0.421 4.382 3.960 0.001 0.000 0.301 476 G HA3 0.421 4.382 3.960 0.001 0.000 0.301 476 G C -2.476 172.415 174.900 -0.016 0.000 1.349 476 G CA -0.755 44.337 45.100 -0.012 0.000 0.792 476 G HN 0.160 nan 8.290 nan 0.000 0.481 477 P HA 0.087 nan 4.420 nan 0.000 0.219 477 P C 0.153 177.449 177.300 -0.006 0.000 1.150 477 P CA 1.087 64.180 63.100 -0.013 0.000 0.814 477 P CB 0.331 32.026 31.700 -0.009 0.000 0.787 478 K N -1.078 119.325 120.400 0.005 0.000 2.542 478 K HA 0.347 4.667 4.320 0.001 0.000 0.259 478 K C -0.173 176.443 176.600 0.027 0.000 0.932 478 K CA -0.869 55.428 56.287 0.017 0.000 0.820 478 K CB 2.019 34.530 32.500 0.018 0.000 1.345 478 K HN -0.342 nan 8.250 nan 0.000 0.432 479 R N -0.369 120.154 120.500 0.039 0.000 3.641 479 R HA -0.151 4.190 4.340 0.001 0.000 0.286 479 R C -0.045 176.284 176.300 0.049 0.000 1.153 479 R CA 1.005 57.135 56.100 0.049 0.000 0.775 479 R CB -2.146 28.183 30.300 0.047 0.000 1.215 479 R HN 0.946 nan 8.270 nan 0.000 0.474 480 G N -0.889 107.936 108.800 0.041 0.000 2.491 480 G HA2 0.632 4.592 3.960 0.001 0.000 0.327 480 G HA3 0.632 4.592 3.960 0.001 0.000 0.327 480 G C 0.324 175.258 174.900 0.056 0.000 1.189 480 G CA 0.055 45.178 45.100 0.038 0.000 0.956 480 G HN 0.247 nan 8.290 nan 0.000 0.491 481 G N -1.278 107.556 108.800 0.057 0.000 2.569 481 G HA2 0.399 4.359 3.960 0.001 0.000 0.249 481 G HA3 0.399 4.359 3.960 0.001 0.000 0.249 481 G C -0.648 174.309 174.900 0.094 0.000 1.216 481 G CA -0.505 44.650 45.100 0.091 0.000 0.845 481 G HN 0.450 nan 8.290 nan 0.000 0.568 482 F N 0.380 120.344 119.950 0.023 0.000 2.456 482 F HA 0.398 4.925 4.527 0.001 0.000 0.358 482 F C 0.532 176.345 175.800 0.022 0.000 1.095 482 F CA -0.153 57.856 58.000 0.015 0.000 1.216 482 F CB 0.892 39.904 39.000 0.020 0.000 1.125 482 F HN 0.436 nan 8.300 nan 0.000 0.549 483 E N 3.882 123.680 120.200 -0.670 0.000 2.275 483 E HA 0.305 4.655 4.350 0.001 0.000 0.270 483 E C -1.178 175.072 176.600 -0.583 0.000 0.882 483 E CA -0.763 55.411 56.400 -0.376 0.000 0.758 483 E CB 1.620 31.202 29.700 -0.196 0.000 1.195 483 E HN 0.620 nan 8.360 nan 0.000 0.419 484 S N 2.385 117.970 115.700 -0.191 0.000 2.576 484 S HA 0.028 4.499 4.470 0.001 0.000 0.276 484 S C -0.588 173.996 174.600 -0.027 0.000 1.339 484 S CA -0.357 57.820 58.200 -0.038 0.000 1.039 484 S CB 0.178 63.482 63.200 0.174 0.000 0.902 484 S HN 0.459 nan 8.310 nan 0.000 0.516 485 Y N 2.577 122.815 120.300 -0.103 0.000 2.620 485 Y HA 0.002 4.553 4.550 0.000 0.000 0.330 485 Y C 0.836 176.715 175.900 -0.035 0.000 1.186 485 Y CA 0.041 58.089 58.100 -0.087 0.000 1.467 485 Y CB 0.182 38.591 38.460 -0.084 0.000 1.262 485 Y HN 0.577 nan 8.280 nan 0.000 0.550 486 Q N 5.507 124.945 119.800 -0.604 0.000 3.159 486 Q HA -0.010 4.330 4.340 0.001 0.000 0.280 486 Q C -0.217 175.469 176.000 -0.523 0.000 1.403 486 Q CA 0.040 55.578 55.803 -0.442 0.000 0.957 486 Q CB -0.237 28.318 28.738 -0.305 0.000 1.729 486 Q HN 0.651 nan 8.270 nan 0.000 0.551 487 E N 1.785 121.772 120.200 -0.354 0.000 2.384 487 E HA 0.005 4.356 4.350 0.001 0.000 0.266 487 E C -0.324 176.243 176.600 -0.054 0.000 1.012 487 E CA -0.367 55.958 56.400 -0.125 0.000 0.901 487 E CB 0.698 30.470 29.700 0.120 0.000 0.967 487 E HN 0.275 nan 8.360 nan 0.000 0.435 488 R N 3.314 123.804 120.500 -0.017 0.000 2.442 488 R HA 0.193 4.534 4.340 0.001 0.000 0.291 488 R C -1.215 175.105 176.300 0.034 0.000 1.069 488 R CA -0.382 55.720 56.100 0.002 0.000 1.022 488 R CB 0.690 30.999 30.300 0.015 0.000 0.976 488 R HN 0.326 nan 8.270 nan 0.000 0.443 489 V N 4.505 124.433 119.914 0.023 0.000 2.459 489 V HA 0.403 4.523 4.120 0.001 0.000 0.295 489 V C -0.330 175.777 176.094 0.020 0.000 1.029 489 V CA -0.505 61.813 62.300 0.030 0.000 0.874 489 V CB 1.545 33.383 31.823 0.025 0.000 0.985 489 V HN 0.824 nan 8.190 nan 0.000 0.438 490 E N 2.546 122.759 120.200 0.023 0.000 2.343 490 E HA 0.614 4.964 4.350 0.001 0.000 0.288 490 E C -0.505 176.100 176.600 0.008 0.000 0.907 490 E CA -0.033 56.374 56.400 0.013 0.000 0.792 490 E CB 2.167 31.875 29.700 0.013 0.000 1.275 490 E HN 1.002 nan 8.360 nan 0.000 0.402 491 G N 2.956 111.756 108.800 0.000 0.000 2.337 491 G HA2 0.036 3.996 3.960 0.001 0.000 0.298 491 G HA3 0.036 3.996 3.960 0.001 0.000 0.298 491 G C -1.358 173.536 174.900 -0.010 0.000 1.335 491 G CA -0.937 44.159 45.100 -0.006 0.000 0.875 491 G HN 0.394 nan 8.290 nan 0.000 0.579 492 N N 0.082 118.773 118.700 -0.015 0.000 2.476 492 N HA 0.373 5.114 4.740 0.001 0.000 0.275 492 N C -0.175 175.322 175.510 -0.021 0.000 1.190 492 N CA -0.296 52.744 53.050 -0.017 0.000 0.977 492 N CB 1.067 39.543 38.487 -0.018 0.000 1.200 492 N HN 0.482 nan 8.380 nan 0.000 0.515 493 K N 0.896 121.283 120.400 -0.022 0.000 2.363 493 K HA 0.222 4.543 4.320 0.001 0.000 0.289 493 K C -0.391 176.189 176.600 -0.034 0.000 1.063 493 K CA -0.200 56.071 56.287 -0.027 0.000 0.967 493 K CB 0.045 32.531 32.500 -0.024 0.000 0.987 493 K HN 0.339 nan 8.250 nan 0.000 0.473 494 V N 0.217 120.105 119.914 -0.043 0.000 3.007 494 V HA 0.485 4.605 4.120 0.001 0.000 0.311 494 V C -0.587 175.467 176.094 -0.067 0.000 1.120 494 V CA -1.353 60.917 62.300 -0.050 0.000 0.980 494 V CB 2.057 33.852 31.823 -0.048 0.000 1.033 494 V HN 0.632 nan 8.190 nan 0.000 0.429 495 R N 2.077 122.533 120.500 -0.073 0.000 2.522 495 R HA 0.591 4.932 4.340 0.001 0.000 0.290 495 R C -0.528 175.721 176.300 -0.084 0.000 1.216 495 R CA -0.120 55.922 56.100 -0.096 0.000 1.250 495 R CB 0.734 30.963 30.300 -0.118 0.000 1.143 495 R HN 0.935 nan 8.270 nan 0.000 0.553 496 E N 1.900 122.047 120.200 -0.087 0.000 2.304 496 E HA 0.231 4.581 4.350 0.001 0.000 0.277 496 E C -1.277 175.254 176.600 -0.114 0.000 0.898 496 E CA -1.007 55.344 56.400 -0.081 0.000 0.764 496 E CB 1.554 31.212 29.700 -0.069 0.000 1.216 496 E HN 0.108 nan 8.360 nan 0.000 0.419 497 R N 1.809 122.246 120.500 -0.104 0.000 2.340 497 R HA 0.220 4.560 4.340 0.001 0.000 0.300 497 R C -0.496 175.692 176.300 -0.187 0.000 1.069 497 R CA 0.076 56.077 56.100 -0.165 0.000 0.984 497 R CB 1.196 31.456 30.300 -0.066 0.000 1.003 497 R HN 0.406 nan 8.270 nan 0.000 0.459 498 S N 4.873 120.355 115.700 -0.362 0.000 2.549 498 S HA 0.120 4.590 4.470 0.001 0.000 0.286 498 S C -1.499 173.065 174.600 -0.059 0.000 1.314 498 S CA -1.235 56.831 58.200 -0.222 0.000 1.062 498 S CB 0.666 63.679 63.200 -0.312 0.000 0.865 498 S HN 0.553 nan 8.310 nan 0.000 0.498 499 P HA -0.084 nan 4.420 nan 0.000 0.219 499 P C 1.422 178.770 177.300 0.081 0.000 1.146 499 P CA 1.125 64.245 63.100 0.033 0.000 0.808 499 P CB -0.220 31.489 31.700 0.016 0.000 0.779 500 S N -2.106 113.681 115.700 0.145 0.000 2.474 500 S HA -0.084 4.386 4.470 0.001 0.000 0.235 500 S C 1.423 176.188 174.600 0.275 0.000 0.997 500 S CA 0.733 59.053 58.200 0.200 0.000 0.949 500 S CB -1.297 62.058 63.200 0.258 0.000 0.766 500 S HN -0.031 nan 8.310 nan 0.000 0.517 501 F N 2.117 122.055 119.950 -0.020 0.000 2.776 501 F HA 0.400 4.927 4.527 0.001 0.000 0.300 501 F C 2.005 177.732 175.800 -0.121 0.000 1.116 501 F CA -0.857 57.124 58.000 -0.031 0.000 1.375 501 F CB -0.596 38.417 39.000 0.022 0.000 1.109 501 F HN 0.338 nan 8.300 nan 0.000 0.585 502 G N 0.575 109.374 108.800 -0.001 0.000 3.392 502 G HA2 0.043 4.003 3.960 0.001 0.000 0.247 502 G HA3 0.043 4.003 3.960 0.001 0.000 0.247 502 G C 0.024 174.510 174.900 -0.690 0.000 1.161 502 G CA 0.186 45.108 45.100 -0.296 0.000 1.739 502 G HN 0.038 nan 8.290 nan 0.000 0.619 503 E N 0.132 119.841 120.200 -0.819 0.000 2.260 503 E HA 0.312 4.662 4.350 0.001 0.000 0.266 503 E C -0.858 175.310 176.600 -0.719 0.000 0.887 503 E CA -0.804 55.205 56.400 -0.651 0.000 0.777 503 E CB 1.397 30.952 29.700 -0.242 0.000 1.205 503 E HN 0.238 nan 8.360 nan 0.000 0.414 504 Y N 2.757 122.857 120.300 -0.334 0.000 2.453 504 Y HA 0.199 4.749 4.550 0.001 0.000 0.247 504 Y C 0.694 176.314 175.900 -0.467 0.000 1.124 504 Y CA -0.122 57.693 58.100 -0.476 0.000 1.243 504 Y CB 0.400 38.438 38.460 -0.703 0.000 1.213 504 Y HN 0.424 nan 8.280 nan 0.000 0.523 505 Y N -1.281 119.100 120.300 0.135 0.000 2.483 505 Y HA 0.078 4.628 4.550 0.001 0.000 0.258 505 Y C 2.413 178.373 175.900 0.099 0.000 1.083 505 Y CA 0.137 58.311 58.100 0.124 0.000 1.283 505 Y CB -0.313 38.225 38.460 0.131 0.000 1.178 505 Y HN 0.069 nan 8.280 nan 0.000 0.515 506 S N -0.652 115.180 115.700 0.219 0.000 2.383 506 S HA -0.208 4.262 4.470 0.001 0.000 0.227 506 S C 1.472 176.152 174.600 0.133 0.000 1.026 506 S CA 1.679 59.989 58.200 0.184 0.000 0.981 506 S CB -0.576 62.739 63.200 0.191 0.000 0.818 506 S HN 0.436 nan 8.310 nan 0.000 0.472 507 H N 2.948 121.932 119.070 -0.142 0.000 2.357 507 H HA 0.168 4.725 4.556 0.001 0.000 0.301 507 H C -0.635 174.478 175.328 -0.360 0.000 1.082 507 H CA 1.422 57.230 56.048 -0.400 0.000 1.342 507 H CB -1.711 27.600 29.762 -0.751 0.000 1.389 507 H HN 0.397 nan 8.280 nan 0.000 0.511 508 P HA -0.174 nan 4.420 nan 0.000 0.216 508 P C 1.489 178.968 177.300 0.298 0.000 1.153 508 P CA 1.693 64.936 63.100 0.238 0.000 0.858 508 P CB 0.085 31.955 31.700 0.283 0.000 0.789 509 R N -0.364 120.265 120.500 0.214 0.000 2.075 509 R HA -0.118 4.222 4.340 0.001 0.000 0.232 509 R C 2.170 178.600 176.300 0.217 0.000 1.126 509 R CA 1.123 57.355 56.100 0.221 0.000 0.963 509 R CB -1.079 29.313 30.300 0.155 0.000 0.858 509 R HN 0.057 nan 8.270 nan 0.000 0.435 510 L N 0.541 121.834 121.223 0.118 0.000 2.042 510 L HA -0.139 4.202 4.340 0.001 0.000 0.210 510 L C 1.984 178.915 176.870 0.103 0.000 1.076 510 L CA 1.722 56.597 54.840 0.058 0.000 0.749 510 L CB -0.678 41.342 42.059 -0.065 0.000 0.893 510 L HN 0.249 nan 8.230 nan 0.000 0.432 511 F N -0.818 119.162 119.950 0.050 0.000 2.075 511 F HA -0.286 4.241 4.527 0.001 0.000 0.297 511 F C 2.341 178.140 175.800 -0.002 0.000 1.113 511 F CA 2.197 60.202 58.000 0.008 0.000 1.218 511 F CB -0.632 38.397 39.000 0.048 0.000 0.984 511 F HN 0.365 nan 8.300 nan 0.000 0.472 512 W N 1.434 122.713 121.300 -0.035 0.000 2.318 512 W HA -0.259 4.401 4.660 0.000 0.000 0.313 512 W C 1.754 178.154 176.519 -0.198 0.000 1.221 512 W CA 1.905 59.179 57.345 -0.119 0.000 1.266 512 W CB -0.729 28.753 29.460 0.037 0.000 1.150 512 W HN 0.094 nan 8.180 nan 0.000 0.496 513 L N 1.006 122.158 121.223 -0.117 0.000 2.376 513 L HA -0.140 4.200 4.340 0.001 0.000 0.219 513 L C 2.329 179.015 176.870 -0.306 0.000 1.133 513 L CA 0.951 55.651 54.840 -0.234 0.000 0.816 513 L CB -0.667 41.377 42.059 -0.025 0.000 0.933 513 L HN -0.146 nan 8.230 nan 0.000 0.449 514 S N -1.454 114.047 115.700 -0.332 0.000 2.528 514 S HA 0.046 4.517 4.470 0.001 0.000 0.219 514 S C 0.757 175.082 174.600 -0.459 0.000 0.985 514 S CA 0.105 58.106 58.200 -0.331 0.000 0.914 514 S CB 0.037 63.073 63.200 -0.273 0.000 0.776 514 S HN 0.301 nan 8.310 nan 0.000 0.526 515 Q N 2.243 121.664 119.800 -0.632 0.000 2.306 515 Q HA 0.265 4.605 4.340 0.001 0.000 0.241 515 Q C 0.637 176.255 176.000 -0.638 0.000 0.948 515 Q CA -0.073 55.320 55.803 -0.683 0.000 0.886 515 Q CB 0.360 28.618 28.738 -0.799 0.000 1.227 515 Q HN 0.429 nan 8.270 nan 0.000 0.457 516 T N -1.663 112.473 114.554 -0.697 0.000 2.748 516 T HA 0.137 4.487 4.350 0.001 0.000 0.304 516 T C -1.708 172.532 174.700 -0.767 0.000 1.041 516 T CA -1.271 60.376 62.100 -0.755 0.000 1.033 516 T CB 0.234 68.395 68.868 -1.178 0.000 0.995 516 T HN 0.240 nan 8.240 nan 0.000 0.536 517 P HA -0.030 nan 4.420 nan 0.000 0.215 517 P C 1.441 178.533 177.300 -0.347 0.000 1.153 517 P CA 1.089 63.967 63.100 -0.370 0.000 0.853 517 P CB -0.281 31.318 31.700 -0.169 0.000 0.788 518 F N 0.002 119.757 119.950 -0.325 0.000 2.259 518 F HA 0.050 4.577 4.527 0.000 0.000 0.298 518 F C 1.830 177.278 175.800 -0.587 0.000 1.088 518 F CA 0.841 58.583 58.000 -0.430 0.000 1.358 518 F CB -1.559 37.175 39.000 -0.443 0.000 1.040 518 F HN -0.109 nan 8.300 nan 0.000 0.505 519 E N 0.540 120.192 120.200 -0.913 0.000 2.106 519 E HA -0.196 4.154 4.350 0.001 0.000 0.192 519 E C 2.209 178.616 176.600 -0.321 0.000 0.984 519 E CA 1.298 57.376 56.400 -0.536 0.000 0.806 519 E CB -0.258 29.070 29.700 -0.620 0.000 0.750 519 E HN 0.631 nan 8.360 nan 0.000 0.458 520 Q N 0.296 119.827 119.800 -0.448 0.000 2.084 520 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 520 Q C 2.248 178.270 176.000 0.035 0.000 0.978 520 Q CA 1.243 56.820 55.803 -0.376 0.000 0.844 520 Q CB -0.124 28.140 28.738 -0.791 0.000 0.898 520 Q HN -0.005 nan 8.270 nan 0.000 0.426 521 R N 0.404 120.897 120.500 -0.013 0.000 2.091 521 R HA -0.158 4.182 4.340 0.001 0.000 0.238 521 R C 1.654 178.121 176.300 0.277 0.000 1.136 521 R CA 1.899 58.080 56.100 0.135 0.000 0.959 521 R CB -0.445 29.910 30.300 0.090 0.000 0.856 521 R HN 0.473 nan 8.270 nan 0.000 0.437 522 H N -0.851 118.309 119.070 0.149 0.000 2.421 522 H HA -0.033 4.523 4.556 0.001 0.000 0.298 522 H C 2.001 177.443 175.328 0.190 0.000 1.087 522 H CA 1.216 57.368 56.048 0.174 0.000 1.330 522 H CB 0.013 29.885 29.762 0.184 0.000 1.388 522 H HN 0.197 nan 8.280 nan 0.000 0.526 523 I N 0.086 120.868 120.570 0.354 0.000 2.202 523 I HA -0.248 3.922 4.170 0.001 0.000 0.242 523 I C 2.319 178.717 176.117 0.469 0.000 1.091 523 I CA 0.742 62.286 61.300 0.406 0.000 1.368 523 I CB -0.150 38.183 38.000 0.555 0.000 1.058 523 I HN 0.075 nan 8.210 nan 0.000 0.410 524 V N 0.944 121.127 119.914 0.447 0.000 2.287 524 V HA -0.329 3.792 4.120 0.001 0.000 0.248 524 V C 2.043 178.305 176.094 0.281 0.000 1.053 524 V CA 2.139 64.652 62.300 0.354 0.000 1.027 524 V CB -0.673 31.318 31.823 0.280 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.306 120.855 120.400 0.249 0.000 2.144 525 D HA -0.087 4.554 4.640 0.001 0.000 0.200 525 D C 2.160 178.526 176.300 0.109 0.000 0.978 525 D CA 1.483 55.592 54.000 0.182 0.000 0.833 525 D CB -0.581 40.335 40.800 0.193 0.000 0.961 525 D HN 0.475 nan 8.370 nan 0.000 0.470 526 G N 0.078 108.928 108.800 0.083 0.000 2.433 526 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 526 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 526 G C 1.456 176.346 174.900 -0.017 0.000 1.186 526 G CA 0.211 45.271 45.100 -0.067 0.000 0.779 526 G HN 0.163 nan 8.290 nan 0.000 0.543 527 F N 1.883 121.866 119.950 0.055 0.000 2.095 527 F HA -0.113 4.415 4.527 0.001 0.000 0.298 527 F C 3.195 178.905 175.800 -0.150 0.000 1.104 527 F CA 1.689 59.656 58.000 -0.055 0.000 1.232 527 F CB -0.448 38.532 39.000 -0.034 0.000 0.987 527 F HN 0.088 nan 8.300 nan 0.000 0.475 528 S N -0.133 115.651 115.700 0.139 0.000 2.356 528 S HA -0.225 4.245 4.470 0.001 0.000 0.223 528 S C 1.872 176.476 174.600 0.007 0.000 1.032 528 S CA 1.409 59.638 58.200 0.048 0.000 1.005 528 S CB -0.834 62.418 63.200 0.087 0.000 0.867 528 S HN 0.408 nan 8.310 nan 0.000 0.449 529 F N 2.596 122.485 119.950 -0.102 0.000 2.113 529 F HA -0.098 4.429 4.527 0.000 0.000 0.297 529 F C 2.380 178.096 175.800 -0.141 0.000 1.103 529 F CA 1.469 59.392 58.000 -0.128 0.000 1.248 529 F CB -0.292 38.549 39.000 -0.265 0.000 0.999 529 F HN 0.101 nan 8.300 nan 0.000 0.475 530 E N 0.686 120.839 120.200 -0.079 0.000 2.058 530 E HA -0.224 4.127 4.350 0.001 0.000 0.194 530 E C 2.349 178.728 176.600 -0.369 0.000 0.997 530 E CA 1.736 58.057 56.400 -0.131 0.000 0.801 530 E CB -0.606 29.158 29.700 0.106 0.000 0.746 530 E HN 0.486 nan 8.360 nan 0.000 0.450 531 L N 1.367 122.296 121.223 -0.489 0.000 2.275 531 L HA -0.115 4.225 4.340 0.001 0.000 0.215 531 L C 2.686 179.379 176.870 -0.295 0.000 1.119 531 L CA 1.026 55.568 54.840 -0.496 0.000 0.790 531 L CB -0.432 41.357 42.059 -0.450 0.000 0.919 531 L HN 0.130 nan 8.230 nan 0.000 0.443 532 S N -0.680 114.857 115.700 -0.272 0.000 2.447 532 S HA -0.098 4.372 4.470 0.001 0.000 0.233 532 S C 1.743 176.209 174.600 -0.223 0.000 1.006 532 S CA 0.574 58.642 58.200 -0.220 0.000 0.957 532 S CB -0.094 62.978 63.200 -0.213 0.000 0.773 532 S HN 0.278 nan 8.310 nan 0.000 0.507 533 K N 1.251 121.490 120.400 -0.269 0.000 2.404 533 K HA 0.321 4.642 4.320 0.001 0.000 0.194 533 K C -0.146 176.437 176.600 -0.028 0.000 1.023 533 K CA -0.002 56.195 56.287 -0.151 0.000 1.094 533 K CB 0.142 32.544 32.500 -0.164 0.000 0.841 533 K HN 0.312 nan 8.250 nan 0.000 0.523 534 V N 2.163 122.040 119.914 -0.061 0.000 2.408 534 V HA 0.007 4.127 4.120 0.001 0.000 0.267 534 V C 1.685 177.766 176.094 -0.022 0.000 1.047 534 V CA -0.082 62.214 62.300 -0.007 0.000 0.937 534 V CB 1.369 33.153 31.823 -0.064 0.000 0.999 534 V HN -0.115 nan 8.190 nan 0.000 0.472 535 V N 5.211 125.138 119.914 0.022 0.000 2.548 535 V HA -0.038 4.083 4.120 0.001 0.000 0.249 535 V C 1.333 177.420 176.094 -0.011 0.000 1.055 535 V CA 1.251 63.560 62.300 0.016 0.000 1.065 535 V CB -0.483 31.370 31.823 0.050 0.000 0.681 535 V HN 0.743 nan 8.190 nan 0.000 0.462 536 R N 0.883 121.354 120.500 -0.048 0.000 2.220 536 R HA 0.187 4.527 4.340 0.001 0.000 0.340 536 R C -1.674 174.523 176.300 -0.172 0.000 1.076 536 R CA -1.465 54.584 56.100 -0.084 0.000 0.920 536 R CB 0.667 30.864 30.300 -0.172 0.000 1.062 536 R HN 0.239 nan 8.270 nan 0.000 0.469 537 P HA -0.220 nan 4.420 nan 0.000 0.216 537 P C 0.784 178.056 177.300 -0.048 0.000 1.150 537 P CA 1.235 64.311 63.100 -0.040 0.000 0.837 537 P CB -0.028 31.684 31.700 0.020 0.000 0.786 538 Y N -1.228 119.072 120.300 -0.000 0.000 2.274 538 Y HA -0.113 4.437 4.550 0.000 0.000 0.290 538 Y C 1.983 177.888 175.900 0.008 0.000 1.145 538 Y CA 0.797 58.898 58.100 0.001 0.000 1.203 538 Y CB -1.777 36.685 38.460 0.003 0.000 0.984 538 Y HN -0.112 nan 8.280 nan 0.000 0.533 539 I N 0.875 121.010 120.570 -0.724 0.000 2.252 539 I HA -0.252 3.918 4.170 0.001 0.000 0.245 539 I C 2.547 178.567 176.117 -0.162 0.000 1.102 539 I CA 1.412 62.465 61.300 -0.412 0.000 1.385 539 I CB -0.395 37.357 38.000 -0.413 0.000 1.064 539 I HN 0.202 nan 8.210 nan 0.000 0.414 540 R N 0.818 121.219 120.500 -0.165 0.000 2.091 540 R HA -0.197 4.144 4.340 0.001 0.000 0.238 540 R C 2.131 178.378 176.300 -0.087 0.000 1.136 540 R CA 1.583 57.600 56.100 -0.138 0.000 0.959 540 R CB -0.437 29.782 30.300 -0.135 0.000 0.856 540 R HN 0.470 nan 8.270 nan 0.000 0.437 541 E N 0.396 120.567 120.200 -0.048 0.000 2.077 541 E HA -0.168 4.183 4.350 0.001 0.000 0.193 541 E C 2.138 178.741 176.600 0.005 0.000 0.989 541 E CA 1.006 57.399 56.400 -0.012 0.000 0.800 541 E CB -0.036 29.681 29.700 0.028 0.000 0.746 541 E HN 0.294 nan 8.360 nan 0.000 0.452 542 R N 0.303 120.819 120.500 0.026 0.000 2.115 542 R HA -0.075 4.266 4.340 0.001 0.000 0.230 542 R C 2.368 178.690 176.300 0.036 0.000 1.111 542 R CA 0.850 56.979 56.100 0.047 0.000 0.976 542 R CB -0.121 30.226 30.300 0.078 0.000 0.870 542 R HN 0.047 nan 8.270 nan 0.000 0.445 543 V N 0.225 120.152 119.914 0.022 0.000 2.453 543 V HA -0.173 3.947 4.120 0.001 0.000 0.247 543 V C 2.234 178.307 176.094 -0.035 0.000 1.048 543 V CA 1.333 63.657 62.300 0.041 0.000 1.049 543 V CB -0.179 31.681 31.823 0.061 0.000 0.672 543 V HN 0.111 nan 8.190 nan 0.000 0.457 544 V N 0.622 120.492 119.914 -0.073 0.000 2.407 544 V HA -0.306 3.814 4.120 0.001 0.000 0.248 544 V C 2.296 178.348 176.094 -0.070 0.000 1.055 544 V CA 2.476 64.711 62.300 -0.109 0.000 1.049 544 V CB -0.634 31.131 31.823 -0.097 0.000 0.662 544 V HN 0.667 nan 8.190 nan 0.000 0.455 545 D N -0.901 119.491 120.400 -0.014 0.000 2.144 545 D HA -0.191 4.450 4.640 0.001 0.000 0.199 545 D C 2.261 178.634 176.300 0.121 0.000 0.984 545 D CA 1.067 55.090 54.000 0.039 0.000 0.834 545 D CB 0.010 40.851 40.800 0.068 0.000 0.955 545 D HN 0.326 nan 8.370 nan 0.000 0.465 546 Q N -0.162 119.686 119.800 0.080 0.000 2.119 546 Q HA -0.070 4.270 4.340 0.001 0.000 0.201 546 Q C 2.533 178.565 176.000 0.054 0.000 0.972 546 Q CA 0.640 56.503 55.803 0.101 0.000 0.847 546 Q CB -0.244 28.566 28.738 0.120 0.000 0.903 546 Q HN 0.462 nan 8.270 nan 0.000 0.433 547 L N 0.109 121.295 121.223 -0.062 0.000 2.191 547 L HA -0.131 4.209 4.340 0.001 0.000 0.212 547 L C 2.324 179.078 176.870 -0.193 0.000 1.103 547 L CA 0.924 55.650 54.840 -0.191 0.000 0.769 547 L CB -0.631 41.210 42.059 -0.363 0.000 0.908 547 L HN 0.098 nan 8.230 nan 0.000 0.438 548 A N -0.774 121.956 122.820 -0.151 0.000 2.067 548 A HA -0.189 4.132 4.320 0.001 0.000 0.219 548 A C 1.763 179.162 177.584 -0.309 0.000 1.158 548 A CA 1.148 53.058 52.037 -0.213 0.000 0.661 548 A CB -0.673 18.206 19.000 -0.202 0.000 0.801 548 A HN 0.433 nan 8.150 nan 0.000 0.452 549 H N -1.085 117.778 119.070 -0.345 0.000 2.548 549 H HA 0.230 4.786 4.556 0.001 0.000 0.268 549 H C 1.580 176.640 175.328 -0.447 0.000 0.975 549 H CA 1.092 56.806 56.048 -0.558 0.000 1.195 549 H CB 0.060 29.081 29.762 -1.234 0.000 1.397 549 H HN 0.505 nan 8.280 nan 0.000 0.572 550 I N -1.197 119.275 120.570 -0.162 0.000 2.685 550 I HA 0.077 4.247 4.170 0.001 0.000 0.251 550 I C -0.106 175.936 176.117 -0.125 0.000 1.102 550 I CA 0.471 61.737 61.300 -0.056 0.000 1.442 550 I CB 0.633 38.624 38.000 -0.014 0.000 1.194 550 I HN 0.098 nan 8.210 nan 0.000 0.448 551 D N -0.638 119.614 120.400 -0.246 0.000 2.871 551 D HA 0.175 4.815 4.640 0.001 0.000 0.209 551 D C 0.313 176.441 176.300 -0.286 0.000 1.292 551 D CA -0.378 53.456 54.000 -0.276 0.000 0.869 551 D CB 1.334 41.849 40.800 -0.475 0.000 1.663 551 D HN -0.172 nan 8.370 nan 0.000 0.557 552 L N 2.642 123.761 121.223 -0.174 0.000 2.083 552 L HA -0.062 4.278 4.340 0.001 0.000 0.209 552 L C 1.729 178.521 176.870 -0.129 0.000 1.083 552 L CA 1.808 56.561 54.840 -0.145 0.000 0.752 552 L CB -0.971 41.032 42.059 -0.094 0.000 0.899 552 L HN 0.636 nan 8.230 nan 0.000 0.433 553 T N 0.136 114.640 114.554 -0.084 0.000 2.708 553 T HA -0.198 4.153 4.350 0.001 0.000 0.266 553 T C 1.983 176.625 174.700 -0.097 0.000 1.037 553 T CA 0.973 63.067 62.100 -0.011 0.000 1.146 553 T CB -0.241 68.716 68.868 0.149 0.000 0.865 553 T HN 0.236 nan 8.240 nan 0.000 0.435 554 L N 0.895 121.898 121.223 -0.366 0.000 1.989 554 L HA -0.165 4.175 4.340 0.001 0.000 0.211 554 L C 2.782 179.431 176.870 -0.368 0.000 1.071 554 L CA 2.053 56.522 54.840 -0.619 0.000 0.749 554 L CB -0.848 40.431 42.059 -1.299 0.000 0.890 554 L HN 0.308 nan 8.230 nan 0.000 0.431 555 A N -0.606 122.012 122.820 -0.338 0.000 1.902 555 A HA -0.277 4.044 4.320 0.001 0.000 0.217 555 A C 2.052 179.539 177.584 -0.163 0.000 1.181 555 A CA 1.785 53.671 52.037 -0.252 0.000 0.623 555 A CB -0.555 18.311 19.000 -0.223 0.000 0.818 555 A HN 0.652 nan 8.150 nan 0.000 0.443 556 Q N -0.800 118.926 119.800 -0.123 0.000 2.119 556 Q HA -0.069 4.272 4.340 0.001 0.000 0.201 556 Q C 2.397 178.369 176.000 -0.046 0.000 0.972 556 Q CA 1.306 57.066 55.803 -0.072 0.000 0.847 556 Q CB -0.348 28.362 28.738 -0.048 0.000 0.903 556 Q HN 0.694 nan 8.270 nan 0.000 0.433 557 A N 0.181 122.979 122.820 -0.035 0.000 1.929 557 A HA -0.100 4.220 4.320 0.001 0.000 0.216 557 A C 2.293 179.877 177.584 -0.000 0.000 1.176 557 A CA 1.052 53.095 52.037 0.009 0.000 0.628 557 A CB -0.493 18.545 19.000 0.062 0.000 0.816 557 A HN 0.195 nan 8.150 nan 0.000 0.444 558 V N -0.073 119.814 119.914 -0.046 0.000 2.307 558 V HA -0.216 3.904 4.120 0.001 0.000 0.245 558 V C 3.068 179.129 176.094 -0.056 0.000 1.045 558 V CA 1.816 64.086 62.300 -0.050 0.000 1.024 558 V CB -1.254 30.490 31.823 -0.131 0.000 0.651 558 V HN 0.597 nan 8.190 nan 0.000 0.449 559 A N -0.031 122.745 122.820 -0.073 0.000 1.883 559 A HA -0.322 3.998 4.320 0.001 0.000 0.217 559 A C 2.337 179.901 177.584 -0.033 0.000 1.186 559 A CA 2.460 54.461 52.037 -0.059 0.000 0.624 559 A CB -0.576 18.386 19.000 -0.063 0.000 0.822 559 A HN 0.539 nan 8.150 nan 0.000 0.444 560 K N -0.535 119.853 120.400 -0.020 0.000 2.032 560 K HA -0.217 4.103 4.320 0.001 0.000 0.209 560 K C 1.614 178.216 176.600 0.005 0.000 1.048 560 K CA 1.740 58.025 56.287 -0.003 0.000 0.927 560 K CB -0.235 32.270 32.500 0.008 0.000 0.712 560 K HN 0.429 nan 8.250 nan 0.000 0.441 561 N N 0.662 119.368 118.700 0.010 0.000 2.364 561 N HA -0.109 4.632 4.740 0.001 0.000 0.183 561 N C 1.338 176.849 175.510 0.001 0.000 1.022 561 N CA 0.889 53.951 53.050 0.020 0.000 0.883 561 N CB 0.043 38.553 38.487 0.038 0.000 0.965 561 N HN 0.280 nan 8.380 nan 0.000 0.438 562 L N -0.929 120.283 121.223 -0.018 0.000 2.607 562 L HA 0.243 4.583 4.340 0.001 0.000 0.228 562 L C 0.986 177.842 176.870 -0.024 0.000 1.123 562 L CA -0.026 54.794 54.840 -0.033 0.000 0.890 562 L CB -0.100 41.924 42.059 -0.058 0.000 1.103 562 L HN 0.080 nan 8.230 nan 0.000 0.468 563 G N 1.537 110.329 108.800 -0.014 0.000 2.221 563 G HA2 -0.288 3.672 3.960 0.001 0.000 0.265 563 G HA3 -0.288 3.672 3.960 0.001 0.000 0.265 563 G C 0.042 174.934 174.900 -0.013 0.000 1.041 563 G CA 0.117 45.212 45.100 -0.009 0.000 0.807 563 G HN 0.329 nan 8.290 nan 0.000 0.502 564 I N -0.086 120.471 120.570 -0.021 0.000 2.412 564 I HA 0.407 4.577 4.170 0.001 0.000 0.296 564 I C 0.266 176.368 176.117 -0.024 0.000 0.987 564 I CA -0.709 60.577 61.300 -0.023 0.000 1.180 564 I CB 1.697 39.676 38.000 -0.034 0.000 1.340 564 I HN 0.073 nan 8.210 nan 0.000 0.455 565 E N 5.801 125.989 120.200 -0.021 0.000 2.166 565 E HA 0.451 4.802 4.350 0.001 0.000 0.275 565 E C -0.993 175.590 176.600 -0.028 0.000 0.941 565 E CA -0.711 55.676 56.400 -0.022 0.000 0.784 565 E CB 1.880 31.571 29.700 -0.016 0.000 1.115 565 E HN 0.404 nan 8.360 nan 0.000 0.399 566 L N 2.708 123.910 121.223 -0.037 0.000 2.426 566 L HA 0.135 4.476 4.340 0.001 0.000 0.271 566 L C 1.090 177.938 176.870 -0.037 0.000 1.169 566 L CA -0.222 54.592 54.840 -0.044 0.000 0.836 566 L CB 0.291 42.315 42.059 -0.059 0.000 1.112 566 L HN 0.650 nan 8.230 nan 0.000 0.465 567 T N -2.495 112.037 114.554 -0.037 0.000 2.754 567 T HA 0.079 4.430 4.350 0.001 0.000 0.286 567 T C 0.685 175.362 174.700 -0.038 0.000 0.997 567 T CA -0.763 61.318 62.100 -0.031 0.000 0.982 567 T CB 0.996 69.849 68.868 -0.025 0.000 1.027 567 T HN 0.495 nan 8.240 nan 0.000 0.529 568 D N 0.208 120.589 120.400 -0.031 0.000 2.144 568 D HA -0.053 4.588 4.640 0.001 0.000 0.200 568 D C 1.706 177.981 176.300 -0.043 0.000 0.978 568 D CA 0.973 54.953 54.000 -0.034 0.000 0.833 568 D CB -0.311 40.474 40.800 -0.025 0.000 0.961 568 D HN 0.568 nan 8.370 nan 0.000 0.470 569 D N 0.506 120.881 120.400 -0.041 0.000 2.097 569 D HA -0.132 4.509 4.640 0.001 0.000 0.195 569 D C 2.076 178.327 176.300 -0.083 0.000 0.989 569 D CA 0.828 54.798 54.000 -0.051 0.000 0.827 569 D CB -0.224 40.553 40.800 -0.037 0.000 0.966 569 D HN 0.317 nan 8.370 nan 0.000 0.456 570 Q N -0.182 119.567 119.800 -0.085 0.000 2.124 570 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 570 Q C 2.377 178.298 176.000 -0.132 0.000 0.977 570 Q CA 0.587 56.315 55.803 -0.125 0.000 0.850 570 Q CB -0.056 28.624 28.738 -0.097 0.000 0.901 570 Q HN 0.304 nan 8.270 nan 0.000 0.429 571 L N 0.679 121.846 121.223 -0.094 0.000 2.362 571 L HA -0.131 4.210 4.340 0.001 0.000 0.219 571 L C 1.194 178.013 176.870 -0.084 0.000 1.134 571 L CA 0.472 55.262 54.840 -0.083 0.000 0.807 571 L CB -0.073 41.951 42.059 -0.058 0.000 0.927 571 L HN 0.238 nan 8.230 nan 0.000 0.447 572 N N -0.362 118.286 118.700 -0.088 0.000 2.203 572 N HA 0.228 4.969 4.740 0.001 0.000 0.207 572 N C 0.337 175.785 175.510 -0.103 0.000 1.130 572 N CA 0.023 53.026 53.050 -0.079 0.000 0.861 572 N CB 0.582 39.035 38.487 -0.058 0.000 1.005 572 N HN 0.205 nan 8.380 nan 0.000 0.507 573 I N 1.370 121.844 120.570 -0.160 0.000 2.668 573 I HA -0.086 4.084 4.170 0.001 0.000 0.285 573 I C 1.180 177.203 176.117 -0.158 0.000 1.168 573 I CA 0.411 61.582 61.300 -0.215 0.000 1.424 573 I CB 0.445 38.188 38.000 -0.429 0.000 1.377 573 I HN -0.101 nan 8.210 nan 0.000 0.560 574 T N 8.126 122.616 114.554 -0.107 0.000 2.851 574 T HA 0.266 4.616 4.350 0.001 0.000 0.298 574 T C -2.019 172.645 174.700 -0.061 0.000 0.977 574 T CA -1.439 60.623 62.100 -0.063 0.000 1.126 574 T CB 0.566 69.418 68.868 -0.028 0.000 0.916 574 T HN 0.362 nan 8.240 nan 0.000 0.529 575 P HA 0.255 nan 4.420 nan 0.000 0.269 575 P C -2.549 174.766 177.300 0.024 0.000 1.215 575 P CA -1.313 61.773 63.100 -0.022 0.000 0.780 575 P CB -0.533 31.164 31.700 -0.005 0.000 0.898 576 P HA 0.221 nan 4.420 nan 0.000 0.272 576 P C -2.391 174.963 177.300 0.090 0.000 1.230 576 P CA -1.331 61.837 63.100 0.112 0.000 0.788 576 P CB -1.015 30.799 31.700 0.190 0.000 0.949 577 P HA 0.109 nan 4.420 nan 0.000 0.270 577 P C -0.254 177.096 177.300 0.083 0.000 1.223 577 P CA 0.123 63.270 63.100 0.077 0.000 0.785 577 P CB 0.292 32.039 31.700 0.078 0.000 0.923 578 D N -0.311 120.131 120.400 0.069 0.000 2.361 578 D HA 0.083 4.723 4.640 0.001 0.000 0.239 578 D C -0.102 176.247 176.300 0.082 0.000 1.200 578 D CA 0.017 54.055 54.000 0.063 0.000 0.915 578 D CB 0.321 41.153 40.800 0.052 0.000 1.170 578 D HN -0.018 nan 8.370 nan 0.000 0.444 579 V N 2.303 122.257 119.914 0.067 0.000 2.353 579 V HA 0.063 4.184 4.120 0.001 0.000 0.264 579 V C 0.233 176.419 176.094 0.153 0.000 1.049 579 V CA -0.467 61.902 62.300 0.116 0.000 0.896 579 V CB -0.425 31.382 31.823 -0.026 0.000 1.025 579 V HN 0.590 nan 8.190 nan 0.000 0.475 580 N N 4.357 123.161 118.700 0.172 0.000 2.727 580 N HA -0.220 4.520 4.740 0.001 0.000 0.249 580 N C 1.167 176.733 175.510 0.094 0.000 1.048 580 N CA 1.110 54.243 53.050 0.138 0.000 0.714 580 N CB -0.945 37.662 38.487 0.200 0.000 0.959 580 N HN 1.291 nan 8.380 nan 0.000 0.544 581 G N -2.668 106.176 108.800 0.073 0.000 2.184 581 G HA2 -0.324 3.637 3.960 0.001 0.000 0.264 581 G HA3 -0.324 3.637 3.960 0.001 0.000 0.264 581 G C -0.043 174.886 174.900 0.048 0.000 0.975 581 G CA 0.292 45.424 45.100 0.053 0.000 0.642 581 G HN 0.338 nan 8.290 nan 0.000 0.536 582 L N 0.358 121.615 121.223 0.056 0.000 2.326 582 L HA 0.528 4.868 4.340 0.001 0.000 0.278 582 L C 1.283 178.169 176.870 0.027 0.000 1.092 582 L CA 0.330 55.194 54.840 0.040 0.000 0.810 582 L CB 1.420 43.506 42.059 0.044 0.000 1.153 582 L HN 0.173 nan 8.230 nan 0.000 0.439 583 K N 2.942 123.352 120.400 0.017 0.000 2.387 583 K HA 0.197 4.517 4.320 0.001 0.000 0.203 583 K C -0.583 176.012 176.600 -0.008 0.000 1.030 583 K CA -0.046 56.248 56.287 0.011 0.000 1.099 583 K CB 0.509 33.016 32.500 0.012 0.000 0.863 583 K HN 0.649 nan 8.250 nan 0.000 0.529 584 K N -0.384 120.008 120.400 -0.014 0.000 2.774 584 K HA 0.190 4.510 4.320 0.001 0.000 0.283 584 K C -2.281 174.305 176.600 -0.023 0.000 1.050 584 K CA -0.930 55.333 56.287 -0.040 0.000 0.872 584 K CB 1.016 33.474 32.500 -0.070 0.000 1.434 584 K HN -0.211 nan 8.250 nan 0.000 0.372 585 D N 2.329 122.711 120.400 -0.030 0.000 2.478 585 D HA 0.300 4.940 4.640 0.001 0.000 0.240 585 D C -2.092 174.197 176.300 -0.018 0.000 1.364 585 D CA -2.046 51.955 54.000 0.002 0.000 0.987 585 D CB 2.139 42.963 40.800 0.040 0.000 1.328 585 D HN 0.290 nan 8.370 nan 0.000 0.584 586 P HA -0.102 nan 4.420 nan 0.000 0.225 586 P C 1.248 178.547 177.300 -0.002 0.000 1.148 586 P CA 0.782 63.860 63.100 -0.037 0.000 0.779 586 P CB 0.131 31.818 31.700 -0.022 0.000 0.780 587 S N -1.042 114.689 115.700 0.051 0.000 2.507 587 S HA -0.028 4.442 4.470 0.001 0.000 0.235 587 S C 1.656 176.347 174.600 0.153 0.000 0.988 587 S CA 0.604 58.870 58.200 0.110 0.000 0.944 587 S CB -1.384 61.904 63.200 0.146 0.000 0.762 587 S HN 0.140 nan 8.310 nan 0.000 0.526 588 L N 1.282 122.562 121.223 0.095 0.000 2.554 588 L HA 0.230 4.570 4.340 0.001 0.000 0.226 588 L C 1.388 178.180 176.870 -0.131 0.000 1.137 588 L CA 0.032 54.930 54.840 0.097 0.000 0.863 588 L CB -0.227 41.877 42.059 0.075 0.000 0.985 588 L HN 0.306 nan 8.230 nan 0.000 0.451 589 S N -0.507 115.098 115.700 -0.158 0.000 2.585 589 S HA 0.335 4.806 4.470 0.001 0.000 0.277 589 S C 1.027 175.520 174.600 -0.179 0.000 1.241 589 S CA -0.635 57.412 58.200 -0.254 0.000 1.041 589 S CB 1.421 64.466 63.200 -0.257 0.000 0.987 589 S HN 0.156 nan 8.310 nan 0.000 0.512 590 L N 2.834 123.873 121.223 -0.307 0.000 2.131 590 L HA 0.056 4.396 4.340 0.001 0.000 0.206 590 L C 0.878 177.480 176.870 -0.447 0.000 1.087 590 L CA 1.051 55.613 54.840 -0.464 0.000 0.767 590 L CB -0.245 41.236 42.059 -0.964 0.000 0.917 590 L HN 0.760 nan 8.230 nan 0.000 0.441 591 Y N -2.150 118.153 120.300 0.006 0.000 2.426 591 Y HA 0.337 4.888 4.550 0.001 0.000 0.249 591 Y C 2.160 178.081 175.900 0.036 0.000 1.103 591 Y CA -0.151 57.999 58.100 0.083 0.000 1.256 591 Y CB -0.488 38.064 38.460 0.154 0.000 1.208 591 Y HN -0.036 nan 8.280 nan 0.000 0.519 592 A N 0.605 123.448 122.820 0.040 0.000 1.917 592 A HA -0.101 4.220 4.320 0.001 0.000 0.219 592 A C 0.874 178.492 177.584 0.057 0.000 1.182 592 A CA 1.313 53.350 52.037 0.001 0.000 0.633 592 A CB -0.517 18.430 19.000 -0.089 0.000 0.819 592 A HN 0.151 nan 8.150 nan 0.000 0.448 593 I N 1.012 121.623 120.570 0.068 0.000 2.359 593 I HA 0.278 4.448 4.170 0.001 0.000 0.284 593 I C -2.585 173.602 176.117 0.116 0.000 1.018 593 I CA -3.146 58.202 61.300 0.080 0.000 1.173 593 I CB 0.471 38.507 38.000 0.060 0.000 1.326 593 I HN 0.013 nan 8.210 nan 0.000 0.462 594 P HA 0.068 nan 4.420 nan 0.000 0.261 594 P C -0.131 177.243 177.300 0.124 0.000 1.173 594 P CA 0.364 63.558 63.100 0.156 0.000 0.760 594 P CB 0.521 32.301 31.700 0.134 0.000 0.783 595 D N 0.883 121.364 120.400 0.135 0.000 2.822 595 D HA 0.132 4.772 4.640 0.001 0.000 0.327 595 D C 0.525 176.883 176.300 0.097 0.000 1.577 595 D CA -0.529 53.532 54.000 0.102 0.000 0.785 595 D CB -0.494 40.362 40.800 0.093 0.000 1.199 595 D HN 0.304 nan 8.370 nan 0.000 0.443 596 G N 0.181 109.047 108.800 0.111 0.000 2.380 596 G HA2 0.340 4.300 3.960 0.001 0.000 0.242 596 G HA3 0.340 4.300 3.960 0.001 0.000 0.242 596 G C -0.613 174.324 174.900 0.061 0.000 1.298 596 G CA -0.005 45.154 45.100 0.098 0.000 0.878 596 G HN 0.193 nan 8.290 nan 0.000 0.542 597 D N 1.466 121.894 120.400 0.047 0.000 2.686 597 D HA 0.206 4.846 4.640 0.001 0.000 0.249 597 D C 0.610 176.921 176.300 0.018 0.000 1.260 597 D CA -0.647 53.367 54.000 0.024 0.000 0.910 597 D CB 2.044 42.851 40.800 0.011 0.000 1.323 597 D HN 0.047 nan 8.370 nan 0.000 0.561 598 V N 3.825 123.742 119.914 0.006 0.000 2.951 598 V HA 0.022 4.142 4.120 0.001 0.000 0.255 598 V C 1.237 177.310 176.094 -0.036 0.000 1.088 598 V CA 0.661 62.958 62.300 -0.005 0.000 1.109 598 V CB -0.313 31.505 31.823 -0.009 0.000 0.724 598 V HN 0.457 nan 8.190 nan 0.000 0.471 599 K N 0.213 120.584 120.400 -0.048 0.000 2.451 599 K HA 0.291 4.611 4.320 0.001 0.000 0.280 599 K C 1.112 177.665 176.600 -0.078 0.000 1.020 599 K CA 0.969 57.204 56.287 -0.086 0.000 1.008 599 K CB 0.285 32.742 32.500 -0.072 0.000 0.917 599 K HN 0.356 nan 8.250 nan 0.000 0.478 600 G N 3.122 111.840 108.800 -0.136 0.000 2.195 600 G HA2 -0.205 3.755 3.960 0.001 0.000 0.246 600 G HA3 -0.205 3.755 3.960 0.001 0.000 0.246 600 G C 0.062 174.991 174.900 0.049 0.000 0.984 600 G CA -0.269 44.821 45.100 -0.016 0.000 0.633 600 G HN 0.558 nan 8.290 nan 0.000 0.525 601 R N -0.140 120.358 120.500 -0.003 0.000 2.649 601 R HA 0.707 5.048 4.340 0.001 0.000 0.270 601 R C 0.043 176.389 176.300 0.078 0.000 1.105 601 R CA -0.140 55.994 56.100 0.056 0.000 1.193 601 R CB 1.075 31.403 30.300 0.047 0.000 1.120 601 R HN 0.649 nan 8.270 nan 0.000 0.561 602 V N 0.466 120.449 119.914 0.115 0.000 2.841 602 V HA 0.490 4.610 4.120 0.001 0.000 0.310 602 V C -1.120 175.039 176.094 0.108 0.000 1.090 602 V CA -0.731 61.652 62.300 0.139 0.000 0.930 602 V CB 2.503 34.432 31.823 0.178 0.000 1.014 602 V HN 0.356 nan 8.190 nan 0.000 0.425 603 V N 5.413 125.386 119.914 0.098 0.000 2.604 603 V HA 0.815 4.935 4.120 0.001 0.000 0.305 603 V C 0.420 176.571 176.094 0.095 0.000 1.043 603 V CA -0.214 62.135 62.300 0.082 0.000 0.888 603 V CB 1.716 33.571 31.823 0.055 0.000 0.995 603 V HN 1.187 nan 8.190 nan 0.000 0.429 604 A N 5.670 128.555 122.820 0.108 0.000 2.331 604 A HA 0.802 5.122 4.320 0.001 0.000 0.283 604 A C -0.500 177.102 177.584 0.030 0.000 1.142 604 A CA -0.251 51.840 52.037 0.091 0.000 0.812 604 A CB 0.148 19.234 19.000 0.142 0.000 1.074 604 A HN 0.768 nan 8.150 nan 0.000 0.497 605 I N 3.278 123.859 120.570 0.019 0.000 2.382 605 I HA 0.202 4.372 4.170 0.001 0.000 0.285 605 I C -0.662 175.465 176.117 0.017 0.000 1.007 605 I CA -0.164 61.147 61.300 0.019 0.000 1.142 605 I CB 1.396 39.419 38.000 0.038 0.000 1.289 605 I HN 0.489 nan 8.210 nan 0.000 0.453 606 L N 7.263 128.482 121.223 -0.006 0.000 2.295 606 L HA 0.403 4.743 4.340 0.001 0.000 0.288 606 L C 0.015 176.981 176.870 0.161 0.000 1.079 606 L CA -0.276 54.611 54.840 0.078 0.000 0.830 606 L CB 0.090 42.063 42.059 -0.143 0.000 1.200 606 L HN 0.449 nan 8.230 nan 0.000 0.438 607 L N 3.597 124.963 121.223 0.237 0.000 2.468 607 L HA 0.362 4.702 4.340 0.001 0.000 0.254 607 L C 0.128 177.172 176.870 0.291 0.000 1.171 607 L CA -0.440 54.496 54.840 0.159 0.000 0.809 607 L CB 1.068 43.129 42.059 0.003 0.000 1.155 607 L HN 0.706 nan 8.230 nan 0.000 0.473 608 N N -2.324 116.449 118.700 0.122 0.000 2.697 608 N HA 0.227 4.968 4.740 0.001 0.000 0.272 608 N C -0.538 174.949 175.510 -0.038 0.000 1.381 608 N CA -0.776 52.391 53.050 0.195 0.000 0.797 608 N CB 0.732 39.327 38.487 0.181 0.000 1.523 608 N HN 0.521 nan 8.380 nan 0.000 0.518 609 D N -1.645 118.771 120.400 0.028 0.000 2.352 609 D HA -0.026 4.615 4.640 0.001 0.000 0.232 609 D C -0.427 175.841 176.300 -0.053 0.000 1.055 609 D CA 0.617 54.573 54.000 -0.074 0.000 0.891 609 D CB -0.118 40.703 40.800 0.035 0.000 0.897 609 D HN 0.718 nan 8.370 nan 0.000 0.529 610 E N 0.511 120.693 120.200 -0.030 0.000 3.711 610 E HA 0.153 4.504 4.350 0.001 0.000 0.267 610 E C -1.083 175.504 176.600 -0.022 0.000 1.198 610 E CA -0.303 56.080 56.400 -0.028 0.000 1.150 610 E CB 1.080 30.773 29.700 -0.012 0.000 1.297 610 E HN -0.102 nan 8.360 nan 0.000 0.399 611 V N 1.732 121.625 119.914 -0.035 0.000 2.763 611 V HA 0.039 4.160 4.120 0.001 0.000 0.306 611 V C 1.001 177.079 176.094 -0.026 0.000 1.059 611 V CA 0.343 62.629 62.300 -0.024 0.000 1.138 611 V CB 0.816 32.619 31.823 -0.032 0.000 0.940 611 V HN 0.434 nan 8.190 nan 0.000 0.489 612 R N 3.036 123.522 120.500 -0.025 0.000 2.357 612 R HA 0.052 4.392 4.340 0.001 0.000 0.330 612 R C 1.616 177.896 176.300 -0.034 0.000 1.102 612 R CA 0.474 56.555 56.100 -0.032 0.000 0.974 612 R CB 0.319 30.595 30.300 -0.040 0.000 1.002 612 R HN 1.035 nan 8.270 nan 0.000 0.463 613 S N 3.331 119.013 115.700 -0.030 0.000 2.387 613 S HA -0.272 4.198 4.470 0.001 0.000 0.230 613 S C 1.986 176.570 174.600 -0.028 0.000 1.035 613 S CA 1.173 59.356 58.200 -0.028 0.000 1.014 613 S CB -0.184 63.002 63.200 -0.024 0.000 0.836 613 S HN 0.689 nan 8.310 nan 0.000 0.466 614 A N 2.206 125.006 122.820 -0.033 0.000 1.933 614 A HA -0.134 4.186 4.320 0.001 0.000 0.218 614 A C 2.007 179.563 177.584 -0.047 0.000 1.175 614 A CA 1.739 53.754 52.037 -0.036 0.000 0.628 614 A CB -0.848 18.128 19.000 -0.039 0.000 0.814 614 A HN 0.483 nan 8.150 nan 0.000 0.444 615 D N -0.278 120.084 120.400 -0.063 0.000 2.097 615 D HA -0.092 4.548 4.640 0.001 0.000 0.197 615 D C 1.943 178.214 176.300 -0.048 0.000 0.984 615 D CA 0.718 54.665 54.000 -0.089 0.000 0.826 615 D CB -0.334 40.398 40.800 -0.114 0.000 0.973 615 D HN 0.351 nan 8.370 nan 0.000 0.460 616 L N 0.461 121.666 121.223 -0.030 0.000 2.046 616 L HA -0.138 4.202 4.340 0.001 0.000 0.208 616 L C 2.407 179.276 176.870 -0.003 0.000 1.077 616 L CA 0.770 55.605 54.840 -0.009 0.000 0.747 616 L CB -0.213 41.839 42.059 -0.011 0.000 0.896 616 L HN 0.101 nan 8.230 nan 0.000 0.432 617 L N -0.712 120.506 121.223 -0.009 0.000 2.046 617 L HA -0.218 4.122 4.340 0.001 0.000 0.208 617 L C 2.795 179.667 176.870 0.003 0.000 1.077 617 L CA 1.301 56.139 54.840 -0.004 0.000 0.747 617 L CB -0.620 41.434 42.059 -0.008 0.000 0.896 617 L HN 0.278 nan 8.230 nan 0.000 0.432 618 A N 0.110 122.929 122.820 -0.002 0.000 1.898 618 A HA -0.162 4.159 4.320 0.001 0.000 0.216 618 A C 2.169 179.774 177.584 0.035 0.000 1.181 618 A CA 1.377 53.420 52.037 0.010 0.000 0.620 618 A CB -0.564 18.432 19.000 -0.006 0.000 0.819 618 A HN 0.336 nan 8.150 nan 0.000 0.442 619 I N -0.322 120.272 120.570 0.039 0.000 2.113 619 I HA -0.259 3.911 4.170 0.001 0.000 0.238 619 I C 2.382 178.531 176.117 0.052 0.000 1.070 619 I CA 1.288 62.632 61.300 0.073 0.000 1.332 619 I CB -0.401 37.647 38.000 0.081 0.000 1.044 619 I HN 0.271 nan 8.210 nan 0.000 0.402 620 L N 0.372 121.617 121.223 0.036 0.000 2.083 620 L HA -0.217 4.124 4.340 0.001 0.000 0.209 620 L C 2.567 179.452 176.870 0.025 0.000 1.083 620 L CA 1.385 56.243 54.840 0.031 0.000 0.752 620 L CB -0.554 41.520 42.059 0.026 0.000 0.899 620 L HN 0.215 nan 8.230 nan 0.000 0.433 621 K N 0.107 120.519 120.400 0.021 0.000 2.155 621 K HA -0.088 4.232 4.320 0.001 0.000 0.203 621 K C 2.167 178.776 176.600 0.016 0.000 1.052 621 K CA 0.964 57.260 56.287 0.016 0.000 0.948 621 K CB 0.022 32.529 32.500 0.013 0.000 0.728 621 K HN 0.267 nan 8.250 nan 0.000 0.448 622 A N 1.075 123.910 122.820 0.025 0.000 1.930 622 A HA -0.094 4.226 4.320 0.001 0.000 0.217 622 A C 2.002 179.593 177.584 0.010 0.000 1.175 622 A CA 1.018 53.069 52.037 0.023 0.000 0.627 622 A CB -0.451 18.575 19.000 0.043 0.000 0.815 622 A HN 0.230 nan 8.150 nan 0.000 0.443 623 L N -0.648 120.583 121.223 0.013 0.000 2.027 623 L HA -0.168 4.173 4.340 0.001 0.000 0.206 623 L C 2.679 179.533 176.870 -0.026 0.000 1.074 623 L CA 1.596 56.432 54.840 -0.006 0.000 0.745 623 L CB -0.507 41.556 42.059 0.007 0.000 0.898 623 L HN 0.332 nan 8.230 nan 0.000 0.433 624 K N 0.905 121.299 120.400 -0.010 0.000 2.074 624 K HA -0.215 4.105 4.320 0.001 0.000 0.209 624 K C 2.026 178.612 176.600 -0.023 0.000 1.048 624 K CA 1.751 58.030 56.287 -0.013 0.000 0.926 624 K CB -0.175 32.329 32.500 0.007 0.000 0.713 624 K HN 0.288 nan 8.250 nan 0.000 0.444 625 A N 1.188 123.999 122.820 -0.014 0.000 2.024 625 A HA -0.122 4.198 4.320 0.001 0.000 0.220 625 A C 1.621 179.190 177.584 -0.025 0.000 1.164 625 A CA 1.443 53.472 52.037 -0.014 0.000 0.643 625 A CB -0.096 18.901 19.000 -0.005 0.000 0.806 625 A HN 0.202 nan 8.150 nan 0.000 0.451 626 K N -1.548 118.830 120.400 -0.037 0.000 2.373 626 K HA 0.246 4.566 4.320 0.001 0.000 0.202 626 K C 0.933 177.484 176.600 -0.082 0.000 1.025 626 K CA 0.590 56.849 56.287 -0.047 0.000 1.115 626 K CB 0.054 32.532 32.500 -0.038 0.000 0.858 626 K HN 0.746 nan 8.250 nan 0.000 0.525 627 G N 1.469 110.205 108.800 -0.108 0.000 2.147 627 G HA2 -0.234 3.726 3.960 0.001 0.000 0.244 627 G HA3 -0.234 3.726 3.960 0.001 0.000 0.244 627 G C 0.039 174.727 174.900 -0.353 0.000 1.005 627 G CA 0.207 45.195 45.100 -0.187 0.000 0.713 627 G HN 0.116 nan 8.290 nan 0.000 0.515 628 V N 0.938 120.694 119.914 -0.263 0.000 2.465 628 V HA 0.477 4.597 4.120 0.001 0.000 0.279 628 V C 0.794 176.726 176.094 -0.271 0.000 1.045 628 V CA -0.746 61.395 62.300 -0.264 0.000 0.938 628 V CB 1.009 32.771 31.823 -0.102 0.000 0.986 628 V HN 0.447 nan 8.190 nan 0.000 0.467 629 H N 1.914 120.996 119.070 0.019 0.000 2.508 629 H HA 0.750 5.307 4.556 0.001 0.000 0.358 629 H C 0.238 175.586 175.328 0.033 0.000 1.212 629 H CA 0.124 56.186 56.048 0.023 0.000 1.356 629 H CB 1.188 30.965 29.762 0.025 0.000 1.525 629 H HN 0.849 nan 8.280 nan 0.000 0.578 630 A N 1.129 124.053 122.820 0.173 0.000 2.454 630 A HA 0.556 4.876 4.320 0.001 0.000 0.302 630 A C -1.143 176.498 177.584 0.095 0.000 1.079 630 A CA -1.053 51.049 52.037 0.109 0.000 0.731 630 A CB 1.214 20.260 19.000 0.077 0.000 1.299 630 A HN 0.799 nan 8.150 nan 0.000 0.413 631 K N 2.136 122.585 120.400 0.082 0.000 2.502 631 K HA 0.640 4.961 4.320 0.001 0.000 0.254 631 K C -1.600 175.030 176.600 0.051 0.000 0.947 631 K CA -0.462 55.866 56.287 0.068 0.000 0.834 631 K CB 1.348 33.899 32.500 0.084 0.000 1.112 631 K HN 0.500 nan 8.250 nan 0.000 0.427 632 L N 4.419 125.662 121.223 0.033 0.000 2.278 632 L HA 0.273 4.613 4.340 0.001 0.000 0.287 632 L C -0.683 176.195 176.870 0.012 0.000 1.072 632 L CA -0.957 53.896 54.840 0.021 0.000 0.819 632 L CB 0.250 42.312 42.059 0.006 0.000 1.176 632 L HN 0.486 nan 8.230 nan 0.000 0.435 633 L N 4.456 125.692 121.223 0.020 0.000 2.330 633 L HA 0.601 4.942 4.340 0.001 0.000 0.271 633 L C -0.444 176.379 176.870 -0.079 0.000 1.013 633 L CA -0.368 54.450 54.840 -0.036 0.000 0.816 633 L CB 1.513 43.572 42.059 0.001 0.000 1.287 633 L HN 0.323 nan 8.230 nan 0.000 0.435 634 Y N -0.891 119.024 120.300 -0.641 0.000 2.840 634 Y HA 0.281 4.831 4.550 0.000 0.000 0.324 634 Y C 0.921 176.078 175.900 -1.239 0.000 1.378 634 Y CA -0.553 57.054 58.100 -0.821 0.000 1.077 634 Y CB 1.416 39.694 38.460 -0.303 0.000 1.361 634 Y HN 0.561 nan 8.280 nan 0.000 0.459 635 S N 0.691 115.476 115.700 -1.525 0.000 2.562 635 S HA 0.213 4.684 4.470 0.001 0.000 0.221 635 S C 0.132 174.445 174.600 -0.477 0.000 0.975 635 S CA 0.497 58.177 58.200 -0.867 0.000 0.918 635 S CB -0.197 62.624 63.200 -0.633 0.000 0.772 635 S HN 0.623 nan 8.310 nan 0.000 0.531 636 R N -1.396 118.902 120.500 -0.336 0.000 2.766 636 R HA 0.629 4.970 4.340 0.001 0.000 0.270 636 R C -0.839 175.457 176.300 -0.007 0.000 1.035 636 R CA -1.110 54.929 56.100 -0.103 0.000 0.911 636 R CB 0.497 30.780 30.300 -0.028 0.000 1.243 636 R HN -0.064 nan 8.270 nan 0.000 0.460 637 M N -0.029 119.570 119.600 -0.001 0.000 2.336 637 M HA 0.552 5.032 4.480 0.001 0.000 0.256 637 M C 0.936 177.253 176.300 0.028 0.000 1.176 637 M CA 0.785 56.090 55.300 0.008 0.000 0.948 637 M CB 0.589 33.186 32.600 -0.005 0.000 1.393 637 M HN 1.053 nan 8.290 nan 0.000 0.528 638 G N 0.803 109.610 108.800 0.011 0.000 2.516 638 G HA2 -0.119 3.841 3.960 0.001 0.000 0.220 638 G HA3 -0.119 3.841 3.960 0.001 0.000 0.220 638 G C -0.991 173.902 174.900 -0.011 0.000 1.165 638 G CA -0.545 44.558 45.100 0.005 0.000 1.013 638 G HN 0.624 nan 8.290 nan 0.000 0.590 639 E N -0.986 119.199 120.200 -0.024 0.000 2.369 639 E HA 0.615 4.965 4.350 0.001 0.000 0.270 639 E C -0.466 176.074 176.600 -0.100 0.000 0.909 639 E CA -0.596 55.770 56.400 -0.056 0.000 0.775 639 E CB 2.928 32.603 29.700 -0.041 0.000 1.270 639 E HN 1.243 nan 8.360 nan 0.000 0.445 640 V N -1.636 118.186 119.914 -0.154 0.000 2.914 640 V HA 0.685 4.806 4.120 0.001 0.000 0.314 640 V C -0.459 175.555 176.094 -0.134 0.000 1.084 640 V CA -0.701 61.474 62.300 -0.209 0.000 0.963 640 V CB 1.911 33.488 31.823 -0.411 0.000 1.025 640 V HN 0.616 nan 8.190 nan 0.000 0.432 641 T N 3.208 117.698 114.554 -0.107 0.000 2.758 641 T HA 0.754 5.104 4.350 0.001 0.000 0.285 641 T C 0.439 175.099 174.700 -0.067 0.000 0.981 641 T CA 0.335 62.393 62.100 -0.071 0.000 0.965 641 T CB 1.270 70.109 68.868 -0.048 0.000 0.927 641 T HN 1.346 nan 8.240 nan 0.000 0.448 642 A N 2.617 125.403 122.820 -0.057 0.000 2.292 642 A HA 0.306 4.626 4.320 0.001 0.000 0.265 642 A C 1.661 179.223 177.584 -0.036 0.000 1.133 642 A CA -0.206 51.802 52.037 -0.047 0.000 0.807 642 A CB 0.030 19.006 19.000 -0.040 0.000 1.102 642 A HN 0.904 nan 8.150 nan 0.000 0.502 643 D N -0.123 120.260 120.400 -0.030 0.000 2.149 643 D HA -0.210 4.430 4.640 0.001 0.000 0.198 643 D C 0.699 176.986 176.300 -0.021 0.000 0.990 643 D CA 1.733 55.719 54.000 -0.024 0.000 0.839 643 D CB -0.407 40.380 40.800 -0.022 0.000 0.948 643 D HN 0.607 nan 8.370 nan 0.000 0.460 644 D N -1.534 118.853 120.400 -0.022 0.000 2.328 644 D HA 0.185 4.825 4.640 0.001 0.000 0.221 644 D C 1.643 177.932 176.300 -0.019 0.000 1.072 644 D CA 0.559 54.547 54.000 -0.019 0.000 0.850 644 D CB -0.025 40.764 40.800 -0.018 0.000 0.922 644 D HN 0.428 nan 8.370 nan 0.000 0.516 645 G N -0.172 108.615 108.800 -0.022 0.000 2.176 645 G HA2 -0.257 3.703 3.960 0.001 0.000 0.232 645 G HA3 -0.257 3.703 3.960 0.001 0.000 0.232 645 G C 0.401 175.287 174.900 -0.023 0.000 0.986 645 G CA 0.151 45.238 45.100 -0.021 0.000 0.643 645 G HN 0.418 nan 8.290 nan 0.000 0.522 646 T N 1.561 116.100 114.554 -0.025 0.000 2.867 646 T HA 0.395 4.745 4.350 0.001 0.000 0.297 646 T C 0.719 175.400 174.700 -0.032 0.000 0.989 646 T CA 0.241 62.327 62.100 -0.025 0.000 1.159 646 T CB 1.923 70.776 68.868 -0.024 0.000 0.928 646 T HN 0.497 nan 8.240 nan 0.000 0.538 647 V N 5.428 125.324 119.914 -0.029 0.000 2.461 647 V HA 0.239 4.359 4.120 0.001 0.000 0.275 647 V C -0.075 175.997 176.094 -0.038 0.000 1.047 647 V CA -0.750 61.529 62.300 -0.036 0.000 0.955 647 V CB 0.924 32.730 31.823 -0.028 0.000 0.988 647 V HN 0.546 nan 8.190 nan 0.000 0.471 648 L N 8.789 129.980 121.223 -0.053 0.000 2.280 648 L HA 0.534 4.875 4.340 0.001 0.000 0.287 648 L C -2.138 174.699 176.870 -0.055 0.000 1.023 648 L CA -2.346 52.463 54.840 -0.053 0.000 0.819 648 L CB 1.617 43.633 42.059 -0.072 0.000 1.212 648 L HN 0.432 nan 8.230 nan 0.000 0.420 649 P HA 0.248 nan 4.420 nan 0.000 0.276 649 P C -0.421 176.863 177.300 -0.027 0.000 1.230 649 P CA -0.180 62.904 63.100 -0.027 0.000 0.776 649 P CB 0.970 32.662 31.700 -0.014 0.000 0.888 650 I N 2.455 123.010 120.570 -0.025 0.000 2.342 650 I HA 0.222 4.392 4.170 0.001 0.000 0.291 650 I C 1.575 177.687 176.117 -0.008 0.000 1.010 650 I CA -0.424 60.865 61.300 -0.018 0.000 1.308 650 I CB 1.483 39.479 38.000 -0.006 0.000 1.400 650 I HN 0.357 nan 8.210 nan 0.000 0.488 651 A N 5.212 128.030 122.820 -0.003 0.000 1.935 651 A HA 0.580 4.900 4.320 0.001 0.000 0.214 651 A C 0.964 178.551 177.584 0.004 0.000 1.178 651 A CA 1.200 53.240 52.037 0.006 0.000 0.640 651 A CB 0.037 19.049 19.000 0.018 0.000 0.825 651 A HN 0.816 nan 8.150 nan 0.000 0.447 652 A N -2.084 120.732 122.820 -0.007 0.000 2.566 652 A HA 0.575 4.896 4.320 0.001 0.000 0.290 652 A C -0.046 177.495 177.584 -0.070 0.000 1.071 652 A CA 0.099 52.128 52.037 -0.013 0.000 0.658 652 A CB -0.230 18.786 19.000 0.027 0.000 1.285 652 A HN 0.766 nan 8.150 nan 0.000 0.427 653 T N -1.719 112.785 114.554 -0.083 0.000 2.824 653 T HA 0.580 4.931 4.350 0.001 0.000 0.277 653 T C 0.923 175.560 174.700 -0.104 0.000 0.975 653 T CA 0.043 62.017 62.100 -0.209 0.000 0.966 653 T CB 0.127 68.903 68.868 -0.153 0.000 1.054 653 T HN 0.468 nan 8.240 nan 0.000 0.533 654 F N 0.403 120.371 119.950 0.030 0.000 2.126 654 F HA 0.018 4.545 4.527 0.001 0.000 0.299 654 F C 2.961 178.887 175.800 0.211 0.000 1.096 654 F CA 0.967 59.035 58.000 0.112 0.000 1.255 654 F CB -0.619 38.424 39.000 0.071 0.000 0.997 654 F HN 0.693 nan 8.300 nan 0.000 0.479 655 A N 0.232 123.215 122.820 0.272 0.000 2.016 655 A HA 0.070 4.390 4.320 0.001 0.000 0.217 655 A C 2.414 180.066 177.584 0.113 0.000 1.162 655 A CA 1.308 53.447 52.037 0.170 0.000 0.662 655 A CB -1.365 17.696 19.000 0.101 0.000 0.812 655 A HN 0.387 nan 8.150 nan 0.000 0.450 656 G N -0.821 108.033 108.800 0.090 0.000 2.448 656 G HA2 0.267 4.228 3.960 0.001 0.000 0.218 656 G HA3 0.267 4.228 3.960 0.001 0.000 0.218 656 G C 0.667 175.617 174.900 0.084 0.000 1.135 656 G CA 0.978 46.114 45.100 0.060 0.000 0.784 656 G HN 1.073 nan 8.290 nan 0.000 0.543 657 A N 0.891 123.797 122.820 0.143 0.000 3.159 657 A HA 0.675 4.995 4.320 0.001 0.000 0.330 657 A C -2.613 175.124 177.584 0.255 0.000 1.032 657 A CA -1.143 50.994 52.037 0.167 0.000 0.841 657 A CB 1.151 20.247 19.000 0.161 0.000 1.093 657 A HN 0.110 nan 8.150 nan 0.000 0.478 658 P HA 0.015 nan 4.420 nan 0.000 0.270 658 P C 1.334 178.479 177.300 -0.258 0.000 1.227 658 P CA 0.479 63.543 63.100 -0.061 0.000 0.788 658 P CB 0.728 32.377 31.700 -0.085 0.000 0.926 659 S N 0.971 116.153 115.700 -0.864 0.000 2.440 659 S HA -0.154 4.316 4.470 0.001 0.000 0.238 659 S C 1.828 176.282 174.600 -0.244 0.000 1.010 659 S CA 0.996 58.799 58.200 -0.660 0.000 0.972 659 S CB -1.324 61.399 63.200 -0.795 0.000 0.774 659 S HN 0.366 nan 8.310 nan 0.000 0.501 660 L N 1.836 122.929 121.223 -0.217 0.000 2.129 660 L HA -0.095 4.245 4.340 0.001 0.000 0.212 660 L C 2.936 179.651 176.870 -0.258 0.000 1.087 660 L CA 1.646 56.357 54.840 -0.215 0.000 0.757 660 L CB -1.406 40.501 42.059 -0.253 0.000 0.896 660 L HN 0.638 nan 8.230 nan 0.000 0.434 661 T N -3.144 111.328 114.554 -0.136 0.000 3.129 661 T HA 0.200 4.550 4.350 0.001 0.000 0.251 661 T C 0.399 175.204 174.700 0.175 0.000 1.117 661 T CA 0.151 62.267 62.100 0.028 0.000 1.034 661 T CB -0.420 68.539 68.868 0.153 0.000 0.968 661 T HN 0.159 nan 8.240 nan 0.000 0.526 662 V N -2.703 117.270 119.914 0.099 0.000 3.113 662 V HA 0.579 4.700 4.120 0.001 0.000 0.316 662 V C -0.088 176.056 176.094 0.083 0.000 1.125 662 V CA -0.961 61.418 62.300 0.132 0.000 1.026 662 V CB 2.102 34.017 31.823 0.154 0.000 1.080 662 V HN -0.001 nan 8.190 nan 0.000 0.444 663 D N 0.761 121.210 120.400 0.082 0.000 2.355 663 D HA 0.488 5.128 4.640 0.001 0.000 0.206 663 D C 0.553 176.842 176.300 -0.018 0.000 1.010 663 D CA 1.453 55.475 54.000 0.037 0.000 0.875 663 D CB 1.534 42.377 40.800 0.071 0.000 0.966 663 D HN 0.958 nan 8.370 nan 0.000 0.512 664 A N 0.188 123.012 122.820 0.008 0.000 2.610 664 A HA 0.562 4.882 4.320 0.001 0.000 0.291 664 A C -1.538 176.065 177.584 0.032 0.000 1.086 664 A CA -0.533 51.496 52.037 -0.014 0.000 0.677 664 A CB 1.638 20.617 19.000 -0.035 0.000 1.278 664 A HN -0.106 nan 8.150 nan 0.000 0.414 665 V N 0.991 120.916 119.914 0.019 0.000 2.638 665 V HA 0.577 4.697 4.120 0.001 0.000 0.306 665 V C -0.735 175.366 176.094 0.011 0.000 1.052 665 V CA -0.208 62.116 62.300 0.040 0.000 0.885 665 V CB 1.567 33.431 31.823 0.069 0.000 0.999 665 V HN 0.706 nan 8.190 nan 0.000 0.424 666 I N 4.035 124.619 120.570 0.023 0.000 2.465 666 I HA 0.576 4.746 4.170 0.001 0.000 0.291 666 I C -0.929 175.217 176.117 0.048 0.000 1.014 666 I CA -0.945 60.394 61.300 0.065 0.000 1.093 666 I CB 2.347 40.413 38.000 0.110 0.000 1.267 666 I HN 0.284 nan 8.210 nan 0.000 0.431 667 V N 7.471 127.433 119.914 0.080 0.000 2.349 667 V HA 0.355 4.475 4.120 0.001 0.000 0.284 667 V C -2.184 173.970 176.094 0.100 0.000 1.014 667 V CA -1.579 60.756 62.300 0.058 0.000 0.826 667 V CB 1.376 33.213 31.823 0.024 0.000 1.009 667 V HN 0.549 nan 8.190 nan 0.000 0.431 668 P HA 0.224 nan 4.420 nan 0.000 0.276 668 P C 0.061 177.379 177.300 0.030 0.000 1.252 668 P CA -0.323 62.792 63.100 0.025 0.000 0.802 668 P CB 1.110 32.816 31.700 0.009 0.000 1.035 669 C N 0.532 119.823 119.300 -0.014 0.000 2.563 669 C HA 0.753 5.213 4.460 0.001 0.000 0.358 669 C C 1.141 176.133 174.990 0.003 0.000 1.336 669 C CA 1.548 60.564 59.018 -0.004 0.000 2.454 669 C CB -0.706 27.012 27.740 -0.037 0.000 2.448 669 C HN 0.910 nan 8.230 nan 0.000 0.670 670 G N 1.491 110.295 108.800 0.006 0.000 2.439 670 G HA2 0.023 3.983 3.960 0.001 0.000 0.186 670 G HA3 0.023 3.983 3.960 0.001 0.000 0.186 670 G C -0.830 174.078 174.900 0.014 0.000 1.260 670 G CA -0.163 44.941 45.100 0.006 0.000 1.020 670 G HN 0.965 nan 8.290 nan 0.000 0.470 671 N N 1.392 120.106 118.700 0.023 0.000 2.739 671 N HA 0.151 4.891 4.740 0.001 0.000 0.266 671 N C 1.185 176.724 175.510 0.049 0.000 1.168 671 N CA -0.637 52.429 53.050 0.027 0.000 1.055 671 N CB -0.066 38.440 38.487 0.031 0.000 1.393 671 N HN 0.336 nan 8.380 nan 0.000 0.514 672 I N 2.119 122.705 120.570 0.027 0.000 2.614 672 I HA -0.176 3.994 4.170 0.001 0.000 0.258 672 I C 2.390 178.499 176.117 -0.012 0.000 1.189 672 I CA 0.623 61.936 61.300 0.022 0.000 1.462 672 I CB -1.405 36.570 38.000 -0.042 0.000 1.092 672 I HN 0.490 nan 8.210 nan 0.000 0.442 673 A N 0.718 123.527 122.820 -0.018 0.000 1.978 673 A HA -0.274 4.046 4.320 0.001 0.000 0.220 673 A C 2.087 179.687 177.584 0.026 0.000 1.170 673 A CA 2.011 54.036 52.037 -0.019 0.000 0.636 673 A CB -0.672 18.319 19.000 -0.015 0.000 0.810 673 A HN 0.408 nan 8.150 nan 0.000 0.448 674 D N 0.418 120.860 120.400 0.070 0.000 2.133 674 D HA -0.173 4.467 4.640 0.001 0.000 0.195 674 D C 1.539 177.923 176.300 0.139 0.000 0.997 674 D CA 1.892 55.962 54.000 0.118 0.000 0.840 674 D CB -0.207 40.699 40.800 0.176 0.000 0.947 674 D HN 0.654 nan 8.370 nan 0.000 0.452 675 I N -4.041 116.632 120.570 0.171 0.000 4.154 675 I HA 0.491 4.661 4.170 0.001 0.000 0.334 675 I C 1.829 178.069 176.117 0.204 0.000 1.371 675 I CA -0.063 61.360 61.300 0.205 0.000 1.110 675 I CB 0.201 38.375 38.000 0.290 0.000 1.085 675 I HN -0.085 nan 8.210 nan 0.000 0.398 676 A N 1.506 124.367 122.820 0.069 0.000 1.978 676 A HA -0.194 4.126 4.320 0.001 0.000 0.220 676 A C 1.426 179.003 177.584 -0.012 0.000 1.170 676 A CA 2.232 54.200 52.037 -0.115 0.000 0.636 676 A CB -0.542 18.320 19.000 -0.229 0.000 0.810 676 A HN 0.508 nan 8.150 nan 0.000 0.448 677 D N -0.943 119.471 120.400 0.024 0.000 2.402 677 D HA 0.064 4.705 4.640 0.001 0.000 0.216 677 D C 0.068 176.398 176.300 0.050 0.000 1.128 677 D CA -0.226 53.791 54.000 0.027 0.000 0.833 677 D CB -0.104 40.700 40.800 0.007 0.000 0.971 677 D HN 0.316 nan 8.370 nan 0.000 0.503 678 N N 0.755 119.499 118.700 0.073 0.000 2.420 678 N HA 0.024 4.764 4.740 0.001 0.000 0.262 678 N C 1.404 176.945 175.510 0.053 0.000 1.144 678 N CA 0.161 53.251 53.050 0.066 0.000 0.952 678 N CB 1.389 39.928 38.487 0.086 0.000 1.081 678 N HN 0.095 nan 8.380 nan 0.000 0.480 679 G N 3.508 112.339 108.800 0.051 0.000 2.440 679 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 679 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 679 G C 0.989 175.931 174.900 0.070 0.000 1.154 679 G CA 0.611 45.743 45.100 0.053 0.000 0.767 679 G HN 0.598 nan 8.290 nan 0.000 0.552 680 D N 0.946 121.392 120.400 0.076 0.000 2.117 680 D HA -0.036 4.605 4.640 0.001 0.000 0.197 680 D C 2.834 179.119 176.300 -0.025 0.000 0.987 680 D CA 1.295 55.367 54.000 0.119 0.000 0.829 680 D CB -0.545 40.392 40.800 0.228 0.000 0.961 680 D HN 0.308 nan 8.370 nan 0.000 0.460 681 A N 1.156 123.786 122.820 -0.316 0.000 1.877 681 A HA -0.200 4.121 4.320 0.001 0.000 0.216 681 A C 2.021 179.390 177.584 -0.359 0.000 1.186 681 A CA 1.383 52.996 52.037 -0.707 0.000 0.620 681 A CB -0.532 18.002 19.000 -0.776 0.000 0.822 681 A HN 0.166 nan 8.150 nan 0.000 0.443 682 N N -1.609 117.026 118.700 -0.109 0.000 2.120 682 N HA -0.182 4.558 4.740 0.001 0.000 0.188 682 N C 1.701 177.196 175.510 -0.025 0.000 1.024 682 N CA 1.771 54.810 53.050 -0.019 0.000 0.852 682 N CB -0.437 38.113 38.487 0.106 0.000 1.003 682 N HN 0.691 nan 8.380 nan 0.000 0.424 683 Y N 0.573 120.835 120.300 -0.063 0.000 2.293 683 Y HA -0.253 4.297 4.550 0.000 0.000 0.291 683 Y C 2.381 178.237 175.900 -0.072 0.000 1.137 683 Y CA 1.172 59.236 58.100 -0.060 0.000 1.202 683 Y CB -0.340 38.093 38.460 -0.045 0.000 0.990 683 Y HN 0.016 nan 8.280 nan 0.000 0.537 684 Y N 0.422 120.609 120.300 -0.188 0.000 2.114 684 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 684 Y C 2.098 177.809 175.900 -0.315 0.000 1.165 684 Y CA 2.234 60.192 58.100 -0.237 0.000 1.148 684 Y CB -0.519 37.794 38.460 -0.245 0.000 0.972 684 Y HN 0.117 nan 8.280 nan 0.000 0.504 685 L N -1.151 120.004 121.223 -0.114 0.000 2.093 685 L HA -0.256 4.084 4.340 0.001 0.000 0.208 685 L C 2.423 179.173 176.870 -0.200 0.000 1.085 685 L CA 1.388 56.136 54.840 -0.153 0.000 0.755 685 L CB -0.541 41.386 42.059 -0.219 0.000 0.904 685 L HN 0.297 nan 8.230 nan 0.000 0.435 686 M N -0.498 118.926 119.600 -0.294 0.000 2.086 686 M HA -0.231 4.249 4.480 0.001 0.000 0.261 686 M C 2.279 178.315 176.300 -0.440 0.000 1.067 686 M CA 1.750 56.861 55.300 -0.315 0.000 1.116 686 M CB -0.383 32.021 32.600 -0.327 0.000 1.348 686 M HN 0.207 nan 8.290 nan 0.000 0.407 687 E N 0.507 120.252 120.200 -0.757 0.000 2.051 687 E HA -0.204 4.146 4.350 0.001 0.000 0.192 687 E C 1.991 178.229 176.600 -0.602 0.000 0.991 687 E CA 1.400 57.328 56.400 -0.786 0.000 0.799 687 E CB -0.009 29.204 29.700 -0.810 0.000 0.748 687 E HN 0.479 nan 8.360 nan 0.000 0.449 688 A N 0.185 122.777 122.820 -0.380 0.000 1.933 688 A HA -0.207 4.113 4.320 0.001 0.000 0.218 688 A C 2.034 179.517 177.584 -0.167 0.000 1.175 688 A CA 1.474 53.380 52.037 -0.218 0.000 0.628 688 A CB -0.893 18.039 19.000 -0.114 0.000 0.814 688 A HN 0.555 nan 8.150 nan 0.000 0.444 689 Y N 0.542 120.685 120.300 -0.262 0.000 2.145 689 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 689 Y C 2.409 178.184 175.900 -0.208 0.000 1.145 689 Y CA 2.309 60.285 58.100 -0.207 0.000 1.148 689 Y CB -0.215 38.137 38.460 -0.180 0.000 0.981 689 Y HN 0.319 nan 8.280 nan 0.000 0.507 690 K N -0.580 119.696 120.400 -0.205 0.000 2.103 690 K HA -0.219 4.101 4.320 0.001 0.000 0.207 690 K C 0.936 177.418 176.600 -0.197 0.000 1.048 690 K CA 1.988 58.129 56.287 -0.243 0.000 0.930 690 K CB -0.451 31.868 32.500 -0.302 0.000 0.716 690 K HN 0.575 nan 8.250 nan 0.000 0.444 691 H N 0.578 119.531 119.070 -0.195 0.000 2.555 691 H HA 0.180 4.737 4.556 0.001 0.000 0.283 691 H C -0.019 175.151 175.328 -0.264 0.000 1.037 691 H CA 0.082 56.012 56.048 -0.198 0.000 1.169 691 H CB 0.040 29.683 29.762 -0.198 0.000 1.375 691 H HN 0.132 nan 8.280 nan 0.000 0.582 692 L N -0.163 120.916 121.223 -0.240 0.000 4.291 692 L HA -0.286 4.055 4.340 0.001 0.000 0.413 692 L C -0.310 176.306 176.870 -0.423 0.000 1.162 692 L CA 0.645 55.254 54.840 -0.385 0.000 0.961 692 L CB -1.711 40.096 42.059 -0.419 0.000 2.095 692 L HN 0.338 nan 8.230 nan 0.000 0.838 693 K N 0.948 121.164 120.400 -0.307 0.000 2.174 693 K HA 0.454 4.775 4.320 0.001 0.000 0.275 693 K C -2.115 174.356 176.600 -0.216 0.000 1.015 693 K CA -1.804 54.323 56.287 -0.266 0.000 0.933 693 K CB 0.662 33.060 32.500 -0.170 0.000 1.025 693 K HN -0.202 nan 8.250 nan 0.000 0.463 694 P HA 0.044 nan 4.420 nan 0.000 0.265 694 P C -0.741 176.497 177.300 -0.102 0.000 1.193 694 P CA 0.401 63.404 63.100 -0.160 0.000 0.765 694 P CB 0.421 32.026 31.700 -0.160 0.000 0.823 695 I N 1.687 122.212 120.570 -0.076 0.000 2.582 695 I HA 0.623 4.793 4.170 0.001 0.000 0.292 695 I C -0.397 175.681 176.117 -0.065 0.000 1.066 695 I CA -0.864 60.410 61.300 -0.043 0.000 1.053 695 I CB 2.270 40.273 38.000 0.004 0.000 1.241 695 I HN 0.259 nan 8.210 nan 0.000 0.421 696 A N 7.469 130.258 122.820 -0.053 0.000 2.343 696 A HA 0.883 5.203 4.320 0.001 0.000 0.308 696 A C -1.164 176.514 177.584 0.156 0.000 1.092 696 A CA -0.432 51.559 52.037 -0.077 0.000 0.751 696 A CB 1.018 19.829 19.000 -0.316 0.000 1.203 696 A HN 0.657 nan 8.150 nan 0.000 0.452 697 L N 2.259 123.628 121.223 0.243 0.000 2.349 697 L HA 0.714 5.055 4.340 0.001 0.000 0.278 697 L C 0.296 177.359 176.870 0.321 0.000 0.996 697 L CA -0.566 54.431 54.840 0.262 0.000 0.825 697 L CB 1.943 44.105 42.059 0.172 0.000 1.243 697 L HN 0.787 nan 8.230 nan 0.000 0.412 698 A N 2.272 125.196 122.820 0.173 0.000 2.312 698 A HA 0.837 5.157 4.320 0.001 0.000 0.326 698 A C 0.732 178.302 177.584 -0.024 0.000 1.172 698 A CA 0.331 52.335 52.037 -0.054 0.000 0.821 698 A CB 1.123 19.926 19.000 -0.329 0.000 1.166 698 A HN 0.979 nan 8.150 nan 0.000 0.493 699 G N 1.777 110.550 108.800 -0.045 0.000 2.651 699 G HA2 -0.360 3.600 3.960 0.001 0.000 0.315 699 G HA3 -0.360 3.600 3.960 0.001 0.000 0.315 699 G C 0.533 175.430 174.900 -0.005 0.000 1.258 699 G CA 0.918 46.000 45.100 -0.030 0.000 1.002 699 G HN 0.718 nan 8.290 nan 0.000 0.551 700 D N 1.390 121.783 120.400 -0.011 0.000 2.350 700 D HA 0.197 4.838 4.640 0.001 0.000 0.216 700 D C 2.555 178.850 176.300 -0.009 0.000 0.968 700 D CA 1.428 55.416 54.000 -0.020 0.000 0.894 700 D CB -0.628 40.153 40.800 -0.032 0.000 0.909 700 D HN 0.756 nan 8.370 nan 0.000 0.520 701 A N 0.602 123.456 122.820 0.056 0.000 2.125 701 A HA -0.150 4.170 4.320 0.001 0.000 0.219 701 A C 2.010 179.697 177.584 0.171 0.000 1.156 701 A CA 0.614 52.754 52.037 0.170 0.000 0.671 701 A CB -0.383 18.744 19.000 0.212 0.000 0.794 701 A HN 0.132 nan 8.150 nan 0.000 0.459 702 R N -0.278 120.272 120.500 0.083 0.000 2.293 702 R HA -0.086 4.255 4.340 0.001 0.000 0.219 702 R C 1.638 177.943 176.300 0.008 0.000 1.091 702 R CA 1.183 57.320 56.100 0.061 0.000 1.004 702 R CB -0.184 30.140 30.300 0.041 0.000 0.865 702 R HN 0.507 nan 8.270 nan 0.000 0.469 703 K N -0.196 120.161 120.400 -0.071 0.000 2.209 703 K HA -0.104 4.216 4.320 0.001 0.000 0.204 703 K C 1.181 177.663 176.600 -0.197 0.000 1.048 703 K CA 1.142 57.326 56.287 -0.172 0.000 0.940 703 K CB -0.026 32.300 32.500 -0.290 0.000 0.729 703 K HN 0.155 nan 8.250 nan 0.000 0.451 704 F N 1.275 121.201 119.950 -0.041 0.000 2.699 704 F HA -0.054 4.474 4.527 0.001 0.000 0.298 704 F C 1.743 177.494 175.800 -0.081 0.000 1.154 704 F CA 0.634 58.597 58.000 -0.061 0.000 1.457 704 F CB 0.036 38.999 39.000 -0.062 0.000 1.106 704 F HN -0.076 nan 8.300 nan 0.000 0.585 705 K N 0.324 120.766 120.400 0.070 0.000 2.152 705 K HA -0.178 4.143 4.320 0.001 0.000 0.206 705 K C 2.297 178.870 176.600 -0.044 0.000 1.048 705 K CA 1.174 57.458 56.287 -0.005 0.000 0.933 705 K CB -0.328 32.167 32.500 -0.008 0.000 0.721 705 K HN 0.262 nan 8.250 nan 0.000 0.447 706 A N 0.777 123.577 122.820 -0.033 0.000 2.015 706 A HA -0.110 4.210 4.320 0.001 0.000 0.219 706 A C 2.112 179.669 177.584 -0.044 0.000 1.163 706 A CA 1.633 53.643 52.037 -0.044 0.000 0.646 706 A CB -0.664 18.309 19.000 -0.045 0.000 0.806 706 A HN 0.212 nan 8.150 nan 0.000 0.448 707 T N 0.902 115.448 114.554 -0.013 0.000 2.746 707 T HA -0.117 4.233 4.350 0.001 0.000 0.267 707 T C 1.505 176.142 174.700 -0.105 0.000 1.039 707 T CA 1.700 63.794 62.100 -0.010 0.000 1.142 707 T CB -0.472 68.450 68.868 0.091 0.000 0.866 707 T HN 0.705 nan 8.240 nan 0.000 0.444 708 I N -1.830 118.621 120.570 -0.198 0.000 3.904 708 I HA 0.331 4.501 4.170 0.001 0.000 0.333 708 I C -0.410 175.460 176.117 -0.411 0.000 1.361 708 I CA -0.402 60.636 61.300 -0.436 0.000 1.116 708 I CB -0.046 37.484 38.000 -0.782 0.000 1.028 708 I HN -0.114 nan 8.210 nan 0.000 0.398 709 K N 1.683 121.959 120.400 -0.207 0.000 3.150 709 K HA -0.118 4.202 4.320 0.001 0.000 0.267 709 K C -0.342 176.185 176.600 -0.120 0.000 1.028 709 K CA 0.510 56.720 56.287 -0.129 0.000 0.753 709 K CB -1.849 30.598 32.500 -0.088 0.000 1.288 709 K HN 0.402 nan 8.250 nan 0.000 0.473 710 I N 0.478 120.977 120.570 -0.119 0.000 2.396 710 I HA 0.286 4.456 4.170 0.001 0.000 0.292 710 I C 1.438 177.536 176.117 -0.032 0.000 0.999 710 I CA -0.986 60.273 61.300 -0.068 0.000 1.310 710 I CB 0.999 38.963 38.000 -0.059 0.000 1.404 710 I HN 0.289 nan 8.210 nan 0.000 0.496 711 A N 4.793 127.605 122.820 -0.012 0.000 2.406 711 A HA 0.124 4.444 4.320 0.001 0.000 0.243 711 A C 1.049 178.630 177.584 -0.004 0.000 1.082 711 A CA -0.225 51.808 52.037 -0.006 0.000 0.786 711 A CB 0.124 19.125 19.000 0.002 0.000 1.029 711 A HN 0.764 nan 8.150 nan 0.000 0.495 712 D N 0.112 120.510 120.400 -0.004 0.000 2.123 712 D HA -0.181 4.460 4.640 0.001 0.000 0.196 712 D C 1.899 178.202 176.300 0.004 0.000 0.992 712 D CA 1.826 55.825 54.000 -0.001 0.000 0.833 712 D CB -0.084 40.714 40.800 -0.003 0.000 0.954 712 D HN 0.747 nan 8.370 nan 0.000 0.455 713 Q N 1.198 121.000 119.800 0.005 0.000 2.436 713 Q HA 0.017 4.357 4.340 0.001 0.000 0.209 713 Q C 0.769 176.775 176.000 0.009 0.000 0.965 713 Q CA 1.296 57.103 55.803 0.007 0.000 0.910 713 Q CB 0.027 28.769 28.738 0.006 0.000 0.980 713 Q HN 0.198 nan 8.270 nan 0.000 0.491 714 G N 1.072 109.877 108.800 0.009 0.000 2.660 714 G HA2 -0.222 3.739 3.960 0.001 0.000 0.247 714 G HA3 -0.222 3.739 3.960 0.001 0.000 0.247 714 G C -1.186 173.722 174.900 0.013 0.000 1.328 714 G CA -0.143 44.964 45.100 0.012 0.000 0.884 714 G HN 0.635 nan 8.290 nan 0.000 0.531 715 E N -1.183 119.026 120.200 0.014 0.000 2.388 715 E HA 0.536 4.886 4.350 0.001 0.000 0.280 715 E C -0.724 175.876 176.600 0.001 0.000 1.019 715 E CA -0.852 55.557 56.400 0.016 0.000 0.806 715 E CB 1.211 30.934 29.700 0.039 0.000 1.246 715 E HN 0.594 nan 8.360 nan 0.000 0.443 716 E N 0.330 120.523 120.200 -0.012 0.000 2.417 716 E HA 0.244 4.595 4.350 0.001 0.000 0.261 716 E C 0.567 177.132 176.600 -0.058 0.000 1.000 716 E CA 1.654 58.032 56.400 -0.036 0.000 0.919 716 E CB 0.668 30.344 29.700 -0.040 0.000 0.955 716 E HN 0.851 nan 8.360 nan 0.000 0.455 717 G N 3.555 112.308 108.800 -0.078 0.000 2.218 717 G HA2 -0.182 3.778 3.960 0.001 0.000 0.216 717 G HA3 -0.182 3.778 3.960 0.001 0.000 0.216 717 G C 0.028 174.884 174.900 -0.073 0.000 0.994 717 G CA -0.511 44.523 45.100 -0.110 0.000 0.637 717 G HN 0.439 nan 8.290 nan 0.000 0.505 718 I N 2.098 122.646 120.570 -0.037 0.000 2.382 718 I HA 0.505 4.675 4.170 0.001 0.000 0.286 718 I C 0.306 176.390 176.117 -0.055 0.000 1.002 718 I CA -1.118 60.169 61.300 -0.021 0.000 1.135 718 I CB 1.410 39.426 38.000 0.027 0.000 1.288 718 I HN -0.099 nan 8.210 nan 0.000 0.448 719 V N 7.160 127.008 119.914 -0.111 0.000 2.439 719 V HA 0.459 4.579 4.120 0.001 0.000 0.282 719 V C 0.106 176.163 176.094 -0.062 0.000 1.039 719 V CA -0.472 61.723 62.300 -0.176 0.000 0.913 719 V CB 1.422 32.992 31.823 -0.422 0.000 0.983 719 V HN 0.871 nan 8.190 nan 0.000 0.460 720 E N 3.951 124.184 120.200 0.054 0.000 2.335 720 E HA 0.857 5.207 4.350 0.001 0.000 0.280 720 E C -0.984 175.756 176.600 0.233 0.000 0.918 720 E CA -0.895 55.623 56.400 0.197 0.000 0.765 720 E CB 2.435 32.201 29.700 0.110 0.000 1.218 720 E HN 0.800 nan 8.360 nan 0.000 0.425 721 A N 1.922 124.906 122.820 0.273 0.000 2.557 721 A HA 0.408 4.728 4.320 0.001 0.000 0.292 721 A C -0.508 177.100 177.584 0.040 0.000 1.139 721 A CA -0.613 51.517 52.037 0.155 0.000 0.665 721 A CB 1.167 20.300 19.000 0.222 0.000 1.285 721 A HN 0.595 nan 8.150 nan 0.000 0.433 722 D N 0.326 120.726 120.400 -0.000 0.000 2.219 722 D HA 0.061 4.702 4.640 0.001 0.000 0.205 722 D C 1.007 177.249 176.300 -0.096 0.000 0.970 722 D CA 2.123 56.102 54.000 -0.035 0.000 0.851 722 D CB 0.117 40.903 40.800 -0.024 0.000 0.943 722 D HN 0.720 nan 8.370 nan 0.000 0.488 723 S N -1.789 113.815 115.700 -0.161 0.000 2.671 723 S HA 0.638 5.108 4.470 0.001 0.000 0.277 723 S C 0.288 174.572 174.600 -0.527 0.000 1.165 723 S CA -0.342 57.702 58.200 -0.260 0.000 0.822 723 S CB 1.782 64.888 63.200 -0.158 0.000 1.150 723 S HN -0.081 nan 8.310 nan 0.000 0.479 724 A N 0.589 123.046 122.820 -0.605 0.000 2.259 724 A HA 0.230 4.550 4.320 0.001 0.000 0.208 724 A C 0.732 178.164 177.584 -0.254 0.000 1.201 724 A CA 0.564 52.093 52.037 -0.848 0.000 0.824 724 A CB -1.195 17.496 19.000 -0.515 0.000 0.838 724 A HN 0.878 nan 8.150 nan 0.000 0.485 725 D N -1.474 118.837 120.400 -0.149 0.000 2.447 725 D HA 0.428 5.068 4.640 0.001 0.000 0.265 725 D C 1.111 177.436 176.300 0.041 0.000 1.250 725 D CA 0.499 54.482 54.000 -0.029 0.000 1.046 725 D CB -0.036 40.742 40.800 -0.037 0.000 1.095 725 D HN 0.679 nan 8.370 nan 0.000 0.555 726 G N 0.087 108.911 108.800 0.040 0.000 2.591 726 G HA2 -0.322 3.639 3.960 0.001 0.000 0.298 726 G HA3 -0.322 3.639 3.960 0.001 0.000 0.298 726 G C 0.782 175.730 174.900 0.080 0.000 1.195 726 G CA 1.813 46.945 45.100 0.053 0.000 0.989 726 G HN 1.399 nan 8.290 nan 0.000 0.551 727 S N -0.048 115.707 115.700 0.092 0.000 2.577 727 S HA 0.403 4.873 4.470 0.001 0.000 0.219 727 S C 1.741 176.410 174.600 0.114 0.000 0.962 727 S CA 0.966 59.215 58.200 0.081 0.000 0.921 727 S CB 0.087 63.317 63.200 0.050 0.000 0.789 727 S HN 1.030 nan 8.310 nan 0.000 0.497 728 F N 2.707 122.656 119.950 -0.002 0.000 2.069 728 F HA -0.083 4.445 4.527 0.000 0.000 0.298 728 F C 2.173 177.970 175.800 -0.004 0.000 1.113 728 F CA 1.714 59.713 58.000 -0.002 0.000 1.214 728 F CB -0.222 38.778 39.000 -0.000 0.000 0.978 728 F HN 0.165 nan 8.300 nan 0.000 0.474 729 M N 0.059 119.794 119.600 0.225 0.000 2.254 729 M HA -0.146 4.334 4.480 0.001 0.000 0.265 729 M C 1.730 178.027 176.300 -0.005 0.000 1.066 729 M CA 1.234 56.586 55.300 0.087 0.000 1.123 729 M CB -1.314 31.369 32.600 0.139 0.000 1.388 729 M HN 0.135 nan 8.290 nan 0.000 0.425 730 D N 0.515 120.922 120.400 0.012 0.000 2.144 730 D HA -0.134 4.506 4.640 0.001 0.000 0.199 730 D C 1.955 178.230 176.300 -0.043 0.000 0.984 730 D CA 1.109 55.103 54.000 -0.009 0.000 0.834 730 D CB -0.094 40.709 40.800 0.005 0.000 0.955 730 D HN 0.467 nan 8.370 nan 0.000 0.465 731 E N 0.355 120.514 120.200 -0.069 0.000 2.077 731 E HA -0.114 4.236 4.350 0.001 0.000 0.193 731 E C 2.094 178.609 176.600 -0.142 0.000 0.989 731 E CA 0.195 56.535 56.400 -0.101 0.000 0.800 731 E CB -0.037 29.593 29.700 -0.118 0.000 0.746 731 E HN 0.146 nan 8.360 nan 0.000 0.452 732 L N 1.039 122.139 121.223 -0.206 0.000 2.046 732 L HA -0.154 4.186 4.340 0.001 0.000 0.208 732 L C 2.040 178.839 176.870 -0.118 0.000 1.077 732 L CA 1.589 56.308 54.840 -0.202 0.000 0.747 732 L CB -0.456 41.445 42.059 -0.264 0.000 0.896 732 L HN 0.233 nan 8.230 nan 0.000 0.432 733 L N -0.500 120.673 121.223 -0.082 0.000 2.201 733 L HA -0.169 4.172 4.340 0.001 0.000 0.212 733 L C 2.433 179.277 176.870 -0.043 0.000 1.105 733 L CA 1.244 56.054 54.840 -0.050 0.000 0.775 733 L CB -0.609 41.431 42.059 -0.031 0.000 0.913 733 L HN 0.235 nan 8.230 nan 0.000 0.440 734 T N 0.104 114.629 114.554 -0.049 0.000 2.777 734 T HA -0.130 4.220 4.350 0.001 0.000 0.266 734 T C 1.932 176.602 174.700 -0.050 0.000 1.040 734 T CA 1.173 63.250 62.100 -0.038 0.000 1.141 734 T CB -0.157 68.689 68.868 -0.038 0.000 0.868 734 T HN 0.193 nan 8.240 nan 0.000 0.444 735 L N 0.281 121.456 121.223 -0.081 0.000 2.056 735 L HA -0.039 4.301 4.340 0.001 0.000 0.207 735 L C 2.692 179.501 176.870 -0.103 0.000 1.078 735 L CA 1.195 55.969 54.840 -0.110 0.000 0.749 735 L CB -0.556 41.418 42.059 -0.141 0.000 0.901 735 L HN 0.290 nan 8.230 nan 0.000 0.433 736 M N -0.555 119.000 119.600 -0.076 0.000 2.159 736 M HA -0.193 4.287 4.480 0.001 0.000 0.263 736 M C 2.475 178.779 176.300 0.005 0.000 1.063 736 M CA 1.788 57.063 55.300 -0.043 0.000 1.110 736 M CB -0.526 32.057 32.600 -0.029 0.000 1.374 736 M HN 0.331 nan 8.290 nan 0.000 0.411 737 A N 0.211 123.034 122.820 0.006 0.000 2.015 737 A HA 0.041 4.362 4.320 0.001 0.000 0.219 737 A C 2.174 179.800 177.584 0.070 0.000 1.163 737 A CA 1.680 53.740 52.037 0.038 0.000 0.646 737 A CB -0.636 18.379 19.000 0.025 0.000 0.806 737 A HN 0.506 nan 8.150 nan 0.000 0.448 738 A N -2.613 120.229 122.820 0.037 0.000 2.251 738 A HA 0.327 4.647 4.320 0.001 0.000 0.209 738 A C 0.975 178.595 177.584 0.060 0.000 1.187 738 A CA 1.335 53.406 52.037 0.057 0.000 0.823 738 A CB -0.484 18.506 19.000 -0.016 0.000 0.846 738 A HN 0.982 nan 8.150 nan 0.000 0.486 739 H N -1.398 117.620 119.070 -0.087 0.000 4.856 739 H HA -0.191 4.366 4.556 0.001 0.000 0.059 739 H C 0.059 175.178 175.328 -0.349 0.000 0.596 739 H CA 2.372 58.349 56.048 -0.117 0.000 0.946 739 H CB -0.594 29.203 29.762 0.059 0.000 0.453 739 H HN 0.457 nan 8.280 nan 0.000 0.801 740 R N -0.298 119.658 120.500 -0.908 0.000 2.836 740 R HA 0.622 4.962 4.340 0.001 0.000 0.269 740 R C -0.661 174.809 176.300 -1.383 0.000 1.010 740 R CA -0.305 55.021 56.100 -1.291 0.000 0.930 740 R CB 1.730 30.963 30.300 -1.778 0.000 1.218 740 R HN 0.084 nan 8.270 nan 0.000 0.473 741 V N 2.358 121.683 119.914 -0.982 0.000 2.221 741 V HA 0.109 4.229 4.120 0.001 0.000 0.258 741 V C 0.731 176.466 176.094 -0.598 0.000 1.179 741 V CA -0.481 61.415 62.300 -0.675 0.000 1.022 741 V CB -0.304 31.263 31.823 -0.428 0.000 1.228 741 V HN 0.717 nan 8.190 nan 0.000 0.487 742 W N 1.616 122.643 121.300 -0.455 0.000 2.350 742 W HA -0.212 4.448 4.660 0.000 0.000 0.289 742 W C 2.533 178.847 176.519 -0.342 0.000 1.215 742 W CA 0.937 57.929 57.345 -0.589 0.000 1.236 742 W CB -0.449 28.280 29.460 -1.218 0.000 1.130 742 W HN 0.655 nan 8.180 nan 0.000 0.541 743 S N 0.674 116.333 115.700 -0.069 0.000 2.507 743 S HA -0.150 4.320 4.470 0.001 0.000 0.235 743 S C 1.704 176.269 174.600 -0.058 0.000 0.988 743 S CA 0.931 59.108 58.200 -0.038 0.000 0.944 743 S CB -0.406 62.771 63.200 -0.039 0.000 0.762 743 S HN 0.415 nan 8.310 nan 0.000 0.526 744 R N 0.626 121.051 120.500 -0.124 0.000 2.275 744 R HA 0.255 4.596 4.340 0.001 0.000 0.199 744 R C 1.762 177.999 176.300 -0.105 0.000 0.989 744 R CA 0.305 56.311 56.100 -0.156 0.000 1.016 744 R CB -0.365 29.737 30.300 -0.330 0.000 0.918 744 R HN 0.474 nan 8.270 nan 0.000 0.473 745 I N 1.998 122.546 120.570 -0.037 0.000 2.087 745 I HA -0.275 3.895 4.170 0.001 0.000 0.240 745 I C -0.788 175.353 176.117 0.041 0.000 1.054 745 I CA 1.637 62.958 61.300 0.034 0.000 1.311 745 I CB -1.081 36.983 38.000 0.108 0.000 1.024 745 I HN 0.172 nan 8.210 nan 0.000 0.402 746 P HA -0.173 nan 4.420 nan 0.000 0.216 746 P C 1.252 178.579 177.300 0.044 0.000 1.150 746 P CA 1.589 64.717 63.100 0.047 0.000 0.837 746 P CB -0.036 31.689 31.700 0.042 0.000 0.786 747 K N -0.233 120.187 120.400 0.034 0.000 2.217 747 K HA -0.003 4.317 4.320 0.001 0.000 0.202 747 K C 2.041 178.691 176.600 0.083 0.000 1.051 747 K CA 0.876 57.202 56.287 0.065 0.000 0.952 747 K CB -0.963 31.592 32.500 0.091 0.000 0.736 747 K HN 0.317 nan 8.250 nan 0.000 0.453 748 I N -2.000 118.589 120.570 0.031 0.000 2.761 748 I HA -0.084 4.086 4.170 0.001 0.000 0.261 748 I C 1.469 177.622 176.117 0.060 0.000 1.198 748 I CA 1.006 62.327 61.300 0.036 0.000 1.482 748 I CB -0.094 37.879 38.000 -0.044 0.000 1.100 748 I HN -0.054 nan 8.210 nan 0.000 0.445 749 D N 2.882 123.321 120.400 0.064 0.000 2.192 749 D HA -0.251 4.389 4.640 0.001 0.000 0.189 749 D C 1.784 178.125 176.300 0.068 0.000 1.007 749 D CA 2.677 56.720 54.000 0.072 0.000 0.859 749 D CB 0.070 40.911 40.800 0.069 0.000 0.936 749 D HN 0.642 nan 8.370 nan 0.000 0.447 750 K N 0.644 121.082 120.400 0.064 0.000 2.028 750 K HA -0.000 4.320 4.320 0.001 0.000 0.211 750 K C 0.976 177.611 176.600 0.059 0.000 1.034 750 K CA -0.480 55.842 56.287 0.058 0.000 0.999 750 K CB -0.713 31.818 32.500 0.052 0.000 1.060 750 K HN 0.018 nan 8.250 nan 0.000 0.451 751 I N 2.831 123.436 120.570 0.059 0.000 2.990 751 I HA -0.110 4.061 4.170 0.001 0.000 0.126 751 I C -2.275 173.871 176.117 0.048 0.000 0.911 751 I CA -0.260 61.072 61.300 0.053 0.000 2.775 751 I CB -0.268 37.780 38.000 0.081 0.000 0.775 751 I HN 0.603 nan 8.210 nan 0.000 0.350 752 P HA 0.452 nan 4.420 nan 0.000 0.256 752 P C -0.596 176.757 177.300 0.088 0.000 1.689 752 P CA 0.001 63.136 63.100 0.059 0.000 1.124 752 P CB 0.493 32.223 31.700 0.051 0.000 1.766 753 A N 0.000 122.873 122.820 0.089 0.000 2.254 753 A HA 0.000 4.320 4.320 0.001 0.000 0.244 753 A CA 0.000 52.123 52.037 0.142 0.000 0.836 753 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486