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 3ifh_1_Z DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.891 174.900 -0.015 0.000 0.946 3 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 4 S N 1.938 117.633 115.700 -0.009 0.000 2.898 4 S HA 0.514 4.984 4.470 0.000 0.000 0.324 4 S C -0.022 174.575 174.600 -0.005 0.000 1.171 4 S CA 0.739 58.937 58.200 -0.004 0.000 1.288 4 S CB -0.710 62.491 63.200 0.002 0.000 1.490 4 S HN 0.326 nan 8.310 nan 0.000 0.570 5 M N 1.628 121.224 119.600 -0.007 0.000 2.484 5 M HA 0.298 4.778 4.480 0.000 0.000 0.289 5 M C 0.615 176.915 176.300 -0.001 0.000 1.206 5 M CA -0.788 54.509 55.300 -0.006 0.000 0.892 5 M CB 2.418 35.008 32.600 -0.017 0.000 1.712 5 M HN 0.283 nan 8.290 nan 0.000 0.462 6 K N 1.158 121.561 120.400 0.005 0.000 1.995 6 K HA 0.000 4.321 4.320 0.000 0.000 0.207 6 K C 0.316 176.923 176.600 0.010 0.000 1.041 6 K CA 1.436 57.729 56.287 0.009 0.000 0.942 6 K CB 0.177 32.685 32.500 0.014 0.000 0.731 6 K HN 0.632 nan 8.250 nan 0.000 0.439 7 D N -0.340 120.070 120.400 0.016 0.000 2.232 7 D HA 0.126 4.766 4.640 0.000 0.000 0.242 7 D C -2.138 174.162 176.300 0.000 0.000 1.093 7 D CA -2.130 51.881 54.000 0.019 0.000 0.845 7 D CB 1.748 42.575 40.800 0.046 0.000 1.124 7 D HN 0.012 nan 8.370 nan 0.000 0.467 8 P HA 0.066 nan 4.420 nan 0.000 0.257 8 P C 0.449 177.702 177.300 -0.077 0.000 1.241 8 P CA 0.093 63.167 63.100 -0.042 0.000 0.816 8 P CB 0.208 31.886 31.700 -0.037 0.000 1.150 9 S N -0.652 115.002 115.700 -0.078 0.000 2.945 9 S HA 0.302 4.772 4.470 0.000 0.000 0.227 9 S C 0.724 175.197 174.600 -0.211 0.000 1.353 9 S CA -0.319 57.781 58.200 -0.167 0.000 1.236 9 S CB -1.326 61.771 63.200 -0.172 0.000 1.069 9 S HN -0.018 nan 8.310 nan 0.000 0.509 10 L N -0.284 120.846 121.223 -0.154 0.000 2.685 10 L HA 0.458 4.798 4.340 0.000 0.000 0.235 10 L C 0.367 177.127 176.870 -0.183 0.000 1.070 10 L CA -0.183 54.595 54.840 -0.103 0.000 0.888 10 L CB 0.154 42.219 42.059 0.011 0.000 1.203 10 L HN 0.388 nan 8.230 nan 0.000 0.499 11 L N 2.690 123.740 121.223 -0.288 0.000 2.623 11 L HA 0.059 4.399 4.340 0.000 0.000 0.281 11 L C 0.005 176.513 176.870 -0.604 0.000 1.150 11 L CA 0.581 55.076 54.840 -0.576 0.000 0.965 11 L CB -0.342 41.369 42.059 -0.580 0.000 1.303 11 L HN 0.037 nan 8.230 nan 0.000 0.467 12 R N 4.747 125.001 120.500 -0.409 0.000 2.369 12 R HA 0.206 4.546 4.340 0.000 0.000 0.310 12 R C 0.569 176.923 176.300 0.089 0.000 1.141 12 R CA -0.262 55.729 56.100 -0.183 0.000 1.116 12 R CB 0.140 30.427 30.300 -0.022 0.000 1.135 12 R HN 0.619 nan 8.270 nan 0.000 0.529 13 H N 0.228 119.376 119.070 0.130 0.000 2.556 13 H HA 0.067 4.623 4.556 0.000 0.000 0.268 13 H C 0.102 175.515 175.328 0.141 0.000 0.996 13 H CA 0.502 56.692 56.048 0.235 0.000 1.157 13 H CB 0.785 30.599 29.762 0.086 0.000 1.355 13 H HN 0.408 nan 8.280 nan 0.000 0.597 14 Q N -0.080 119.871 119.800 0.252 0.000 2.194 14 Q HA 0.663 5.003 4.340 0.000 0.000 0.245 14 Q C -0.445 175.793 176.000 0.397 0.000 0.993 14 Q CA -0.831 55.152 55.803 0.300 0.000 0.930 14 Q CB 2.104 31.058 28.738 0.360 0.000 1.238 14 Q HN 0.211 nan 8.270 nan 0.000 0.486 15 A N 0.442 123.441 122.820 0.299 0.000 2.330 15 A HA 0.556 4.876 4.320 0.000 0.000 0.329 15 A C -1.935 175.686 177.584 0.062 0.000 1.135 15 A CA -0.376 51.763 52.037 0.170 0.000 0.817 15 A CB 0.790 19.834 19.000 0.073 0.000 1.269 15 A HN 0.679 nan 8.150 nan 0.000 0.469 16 Y N 2.377 122.512 120.300 -0.275 0.000 2.388 16 Y HA 0.552 5.102 4.550 0.000 0.000 0.328 16 Y C -0.947 174.772 175.900 -0.301 0.000 0.963 16 Y CA -0.900 56.887 58.100 -0.522 0.000 1.240 16 Y CB 0.876 38.853 38.460 -0.805 0.000 1.118 16 Y HN 0.432 nan 8.280 nan 0.000 0.484 17 I N 5.265 125.545 120.570 -0.482 0.000 2.410 17 I HA 0.333 4.503 4.170 0.000 0.000 0.286 17 I C 0.915 176.793 176.117 -0.398 0.000 1.009 17 I CA -0.665 60.443 61.300 -0.320 0.000 1.111 17 I CB 1.036 38.931 38.000 -0.174 0.000 1.262 17 I HN 0.884 nan 8.210 nan 0.000 0.443 18 G N 4.614 113.227 108.800 -0.311 0.000 2.341 18 G HA2 -0.121 3.839 3.960 0.000 0.000 0.292 18 G HA3 -0.121 3.839 3.960 0.000 0.000 0.292 18 G C 0.991 175.680 174.900 -0.351 0.000 1.021 18 G CA 0.852 45.799 45.100 -0.255 0.000 0.905 18 G HN 1.743 nan 8.290 nan 0.000 0.508 19 G N -1.752 106.652 108.800 -0.659 0.000 2.160 19 G HA2 -0.005 3.955 3.960 0.000 0.000 0.244 19 G HA3 -0.005 3.955 3.960 0.000 0.000 0.244 19 G C -0.148 174.306 174.900 -0.744 0.000 1.022 19 G CA 0.943 45.597 45.100 -0.744 0.000 0.741 19 G HN 1.388 nan 8.290 nan 0.000 0.508 20 E N -0.996 118.650 120.200 -0.923 0.000 2.281 20 E HA 0.511 4.861 4.350 0.000 0.000 0.266 20 E C -0.518 175.839 176.600 -0.404 0.000 0.893 20 E CA -0.823 55.307 56.400 -0.450 0.000 0.798 20 E CB 0.608 30.172 29.700 -0.226 0.000 1.245 20 E HN 0.286 nan 8.360 nan 0.000 0.410 21 W N 3.552 124.790 121.300 -0.104 0.000 2.446 21 W HA 0.275 4.935 4.660 0.000 0.000 0.316 21 W C 0.398 176.908 176.519 -0.015 0.000 1.376 21 W CA 0.011 57.362 57.345 0.011 0.000 1.300 21 W CB 0.567 30.073 29.460 0.077 0.000 1.351 21 W HN 0.365 nan 8.180 nan 0.000 0.530 22 Q N 2.100 122.019 119.800 0.197 0.000 2.495 22 Q HA 0.783 5.123 4.340 0.000 0.000 0.287 22 Q C -0.524 175.542 176.000 0.110 0.000 1.078 22 Q CA -1.107 54.761 55.803 0.109 0.000 0.793 22 Q CB 2.219 30.973 28.738 0.027 0.000 1.459 22 Q HN 0.504 nan 8.270 nan 0.000 0.422 23 A N 0.540 123.402 122.820 0.069 0.000 2.263 23 A HA 0.874 5.194 4.320 0.000 0.000 0.318 23 A C -0.471 177.128 177.584 0.025 0.000 1.111 23 A CA -0.141 51.924 52.037 0.046 0.000 0.901 23 A CB 0.426 19.446 19.000 0.033 0.000 1.280 23 A HN 0.760 nan 8.150 nan 0.000 0.503 24 A N -0.421 122.408 122.820 0.015 0.000 2.492 24 A HA 0.296 4.616 4.320 0.000 0.000 0.236 24 A C 0.574 178.165 177.584 0.011 0.000 1.078 24 A CA 0.419 52.464 52.037 0.013 0.000 0.773 24 A CB -0.157 18.852 19.000 0.014 0.000 1.023 24 A HN 0.750 nan 8.150 nan 0.000 0.504 25 D N 0.539 120.945 120.400 0.009 0.000 2.117 25 D HA -0.121 4.519 4.640 0.000 0.000 0.198 25 D C 2.261 178.566 176.300 0.009 0.000 0.982 25 D CA 2.090 56.095 54.000 0.007 0.000 0.828 25 D CB -0.373 40.429 40.800 0.004 0.000 0.967 25 D HN 0.655 nan 8.370 nan 0.000 0.464 26 S N 0.053 115.761 115.700 0.012 0.000 2.555 26 S HA -0.102 4.368 4.470 0.000 0.000 0.230 26 S C 0.349 174.957 174.600 0.013 0.000 0.978 26 S CA 0.637 58.845 58.200 0.013 0.000 0.934 26 S CB -0.010 63.201 63.200 0.018 0.000 0.766 26 S HN -0.006 nan 8.310 nan 0.000 0.533 27 D N 0.427 120.834 120.400 0.011 0.000 3.028 27 D HA -0.171 4.469 4.640 0.000 0.000 0.211 27 D C 0.301 176.606 176.300 0.007 0.000 1.136 27 D CA 1.284 55.289 54.000 0.008 0.000 0.987 27 D CB -1.783 39.021 40.800 0.007 0.000 1.128 27 D HN 0.823 nan 8.370 nan 0.000 0.406 28 A N 0.657 123.486 122.820 0.016 0.000 2.491 28 A HA 0.495 4.815 4.320 0.000 0.000 0.261 28 A C 0.831 178.423 177.584 0.013 0.000 1.101 28 A CA 0.731 52.783 52.037 0.025 0.000 0.772 28 A CB 0.242 19.267 19.000 0.042 0.000 1.043 28 A HN 0.290 nan 8.150 nan 0.000 0.501 29 T N 1.025 115.578 114.554 -0.002 0.000 2.809 29 T HA 0.605 4.955 4.350 0.000 0.000 0.284 29 T C -0.275 174.406 174.700 -0.032 0.000 0.992 29 T CA -0.627 61.425 62.100 -0.081 0.000 0.957 29 T CB 0.626 69.439 68.868 -0.092 0.000 0.942 29 T HN 0.762 nan 8.240 nan 0.000 0.439 30 F N 0.491 120.431 119.950 -0.017 0.000 2.370 30 F HA 0.736 5.263 4.527 0.000 0.000 0.319 30 F C 0.367 176.130 175.800 -0.061 0.000 1.129 30 F CA -1.286 56.688 58.000 -0.043 0.000 1.109 30 F CB 0.791 39.748 39.000 -0.071 0.000 1.262 30 F HN 0.733 nan 8.300 nan 0.000 0.534 31 E N 2.423 122.728 120.200 0.174 0.000 2.460 31 E HA 0.443 4.793 4.350 0.000 0.000 0.249 31 E C -1.862 174.555 176.600 -0.306 0.000 0.962 31 E CA -0.560 55.842 56.400 0.003 0.000 0.787 31 E CB 1.573 31.324 29.700 0.085 0.000 1.341 31 E HN 0.660 nan 8.360 nan 0.000 0.407 32 V N 3.935 123.685 119.914 -0.274 0.000 2.997 32 V HA 0.511 4.631 4.120 0.000 0.000 0.311 32 V C -0.122 175.659 176.094 -0.522 0.000 1.066 32 V CA -0.330 61.571 62.300 -0.665 0.000 1.039 32 V CB 0.641 32.299 31.823 -0.274 0.000 1.081 32 V HN 0.467 nan 8.190 nan 0.000 0.467 33 F N -0.861 119.141 119.950 0.086 0.000 2.639 33 F HA 0.452 4.979 4.527 0.000 0.000 0.339 33 F C 0.261 176.091 175.800 0.049 0.000 1.071 33 F CA -1.366 56.679 58.000 0.074 0.000 0.994 33 F CB 0.480 39.510 39.000 0.049 0.000 1.341 33 F HN 0.361 nan 8.300 nan 0.000 0.498 34 D N 2.154 122.697 120.400 0.238 0.000 2.348 34 D HA 0.165 4.805 4.640 0.000 0.000 0.259 34 D C -2.073 174.257 176.300 0.051 0.000 1.296 34 D CA -1.628 52.439 54.000 0.113 0.000 0.931 34 D CB 0.839 41.686 40.800 0.078 0.000 1.067 34 D HN 0.129 nan 8.370 nan 0.000 0.503 35 P HA 0.122 nan 4.420 nan 0.000 0.258 35 P C 0.132 177.350 177.300 -0.136 0.000 1.403 35 P CA 0.130 63.216 63.100 -0.023 0.000 0.826 35 P CB 0.502 32.184 31.700 -0.030 0.000 1.414 36 A N -0.504 122.230 122.820 -0.143 0.000 1.984 36 A HA 0.059 4.379 4.320 0.000 0.000 0.203 36 A C 1.843 179.368 177.584 -0.099 0.000 1.292 36 A CA 1.293 53.276 52.037 -0.091 0.000 0.782 36 A CB -0.708 18.319 19.000 0.045 0.000 0.924 36 A HN 0.256 nan 8.150 nan 0.000 0.475 37 T N -5.244 109.165 114.554 -0.242 0.000 2.985 37 T HA 0.446 4.796 4.350 0.000 0.000 0.254 37 T C 1.424 175.808 174.700 -0.527 0.000 1.021 37 T CA 1.139 63.051 62.100 -0.314 0.000 0.957 37 T CB 0.724 69.559 68.868 -0.056 0.000 1.047 37 T HN 1.650 nan 8.240 nan 0.000 0.511 38 G N 2.032 110.555 108.800 -0.462 0.000 2.234 38 G HA2 -0.234 3.726 3.960 0.000 0.000 0.235 38 G HA3 -0.234 3.726 3.960 0.000 0.000 0.235 38 G C 0.016 174.851 174.900 -0.109 0.000 0.997 38 G CA 0.166 45.125 45.100 -0.234 0.000 0.623 38 G HN 0.930 nan 8.290 nan 0.000 0.514 39 E N 1.700 121.879 120.200 -0.035 0.000 2.318 39 E HA 0.580 4.930 4.350 0.000 0.000 0.265 39 E C 0.397 177.099 176.600 0.170 0.000 1.069 39 E CA 0.159 56.565 56.400 0.010 0.000 0.893 39 E CB 1.123 30.834 29.700 0.019 0.000 1.076 39 E HN 0.421 nan 8.360 nan 0.000 0.414 40 S N -0.122 115.714 115.700 0.228 0.000 2.558 40 S HA 0.157 4.627 4.470 0.000 0.000 0.287 40 S C 0.928 175.675 174.600 0.244 0.000 1.321 40 S CA 0.443 58.859 58.200 0.360 0.000 1.048 40 S CB -0.167 63.200 63.200 0.278 0.000 0.844 40 S HN 0.687 nan 8.310 nan 0.000 0.512 41 L N 2.909 124.292 121.223 0.267 0.000 2.672 41 L HA 0.709 5.049 4.340 0.000 0.000 0.236 41 L C 1.272 178.319 176.870 0.296 0.000 1.092 41 L CA 0.800 55.782 54.840 0.237 0.000 0.887 41 L CB -1.478 40.756 42.059 0.292 0.000 1.168 41 L HN 1.386 nan 8.230 nan 0.000 0.502 42 G N -1.388 107.606 108.800 0.323 0.000 2.340 42 G HA2 0.419 4.379 3.960 0.000 0.000 0.527 42 G HA3 0.419 4.379 3.960 0.000 0.000 0.527 42 G C -0.210 174.897 174.900 0.345 0.000 1.381 42 G CA 0.209 45.515 45.100 0.343 0.000 1.001 42 G HN 1.363 nan 8.290 nan 0.000 0.626 43 T N -1.947 112.729 114.554 0.203 0.000 2.918 43 T HA 0.657 5.007 4.350 0.000 0.000 0.302 43 T C 0.387 175.123 174.700 0.060 0.000 1.045 43 T CA 0.149 62.285 62.100 0.060 0.000 1.114 43 T CB 1.491 70.352 68.868 -0.012 0.000 0.965 43 T HN 1.772 nan 8.240 nan 0.000 0.540 44 V N 0.890 120.621 119.914 -0.304 0.000 2.876 44 V HA 0.536 4.656 4.120 0.000 0.000 0.312 44 V C -2.769 172.988 176.094 -0.562 0.000 1.085 44 V CA -3.086 58.947 62.300 -0.446 0.000 0.945 44 V CB 1.524 32.889 31.823 -0.764 0.000 1.017 44 V HN 0.668 nan 8.190 nan 0.000 0.428 45 P HA 0.053 nan 4.420 nan 0.000 0.265 45 P C -0.552 176.635 177.300 -0.188 0.000 1.187 45 P CA 0.184 63.182 63.100 -0.171 0.000 0.766 45 P CB 0.439 32.109 31.700 -0.050 0.000 0.820 46 K N 4.438 124.838 120.400 0.000 0.000 2.724 46 K HA 0.243 4.563 4.320 0.000 0.000 0.198 46 K C 0.124 176.801 176.600 0.128 0.000 1.099 46 K CA -0.166 56.261 56.287 0.232 0.000 1.025 46 K CB -0.126 32.587 32.500 0.356 0.000 1.509 46 K HN 0.448 nan 8.250 nan 0.000 0.564 47 M N -0.340 119.318 119.600 0.096 0.000 1.855 47 M HA 0.396 4.876 4.480 0.000 0.000 0.221 47 M C 0.972 177.303 176.300 0.052 0.000 1.275 47 M CA -0.364 54.970 55.300 0.056 0.000 0.937 47 M CB 0.418 33.041 32.600 0.038 0.000 1.279 47 M HN 0.380 nan 8.290 nan 0.000 0.490 48 G N -1.279 107.540 108.800 0.031 0.000 2.815 48 G HA2 0.551 4.511 3.960 0.000 0.000 0.305 48 G HA3 0.551 4.511 3.960 0.000 0.000 0.305 48 G C 0.100 175.006 174.900 0.010 0.000 1.277 48 G CA -0.085 45.028 45.100 0.021 0.000 0.795 48 G HN 0.718 nan 8.290 nan 0.000 0.528 49 A N -0.622 122.200 122.820 0.004 0.000 2.024 49 A HA 0.218 4.538 4.320 0.000 0.000 0.220 49 A C 2.659 180.240 177.584 -0.004 0.000 1.164 49 A CA 2.829 54.864 52.037 -0.002 0.000 0.643 49 A CB -0.921 18.076 19.000 -0.005 0.000 0.806 49 A HN 1.644 nan 8.150 nan 0.000 0.451 50 A N -0.079 122.740 122.820 -0.002 0.000 1.865 50 A HA -0.196 4.124 4.320 0.000 0.000 0.217 50 A C 1.900 179.479 177.584 -0.008 0.000 1.191 50 A CA 2.012 54.047 52.037 -0.004 0.000 0.623 50 A CB -0.522 18.477 19.000 -0.002 0.000 0.826 50 A HN 0.508 nan 8.150 nan 0.000 0.444 51 E N -0.731 119.465 120.200 -0.006 0.000 2.204 51 E HA -0.053 4.297 4.350 0.000 0.000 0.194 51 E C 2.090 178.679 176.600 -0.019 0.000 0.989 51 E CA 1.436 57.828 56.400 -0.013 0.000 0.824 51 E CB -0.322 29.373 29.700 -0.007 0.000 0.756 51 E HN 0.644 nan 8.360 nan 0.000 0.477 52 T N 0.310 114.857 114.554 -0.013 0.000 2.701 52 T HA -0.150 4.200 4.350 0.000 0.000 0.263 52 T C 2.011 176.698 174.700 -0.022 0.000 1.040 52 T CA 1.264 63.355 62.100 -0.016 0.000 1.147 52 T CB -0.433 68.430 68.868 -0.009 0.000 0.865 52 T HN 0.279 nan 8.240 nan 0.000 0.426 53 A N 1.623 124.431 122.820 -0.019 0.000 1.986 53 A HA -0.138 4.182 4.320 0.000 0.000 0.220 53 A C 2.590 180.159 177.584 -0.024 0.000 1.171 53 A CA 2.395 54.419 52.037 -0.020 0.000 0.640 53 A CB -1.030 17.961 19.000 -0.015 0.000 0.811 53 A HN 0.557 nan 8.150 nan 0.000 0.451 54 R N -0.925 119.558 120.500 -0.028 0.000 2.115 54 R HA 0.313 4.653 4.340 0.000 0.000 0.226 54 R C 2.441 178.712 176.300 -0.049 0.000 1.100 54 R CA 1.907 57.986 56.100 -0.036 0.000 0.980 54 R CB -1.495 28.782 30.300 -0.038 0.000 0.875 54 R HN 0.880 nan 8.270 nan 0.000 0.445 55 A N 0.800 123.590 122.820 -0.049 0.000 1.930 55 A HA 0.148 4.468 4.320 0.000 0.000 0.215 55 A C 2.310 179.862 177.584 -0.053 0.000 1.176 55 A CA 1.211 53.213 52.037 -0.059 0.000 0.632 55 A CB -0.144 18.825 19.000 -0.052 0.000 0.819 55 A HN 0.460 nan 8.150 nan 0.000 0.445 56 I N -0.497 120.047 120.570 -0.043 0.000 2.676 56 I HA -0.155 4.015 4.170 0.000 0.000 0.259 56 I C 2.318 178.414 176.117 -0.035 0.000 1.194 56 I CA 1.262 62.536 61.300 -0.044 0.000 1.473 56 I CB -0.139 37.838 38.000 -0.039 0.000 1.096 56 I HN 0.289 nan 8.210 nan 0.000 0.443 57 E N 1.551 121.733 120.200 -0.030 0.000 2.016 57 E HA -0.122 4.228 4.350 0.000 0.000 0.190 57 E C 2.283 178.873 176.600 -0.016 0.000 0.985 57 E CA 1.625 58.014 56.400 -0.019 0.000 0.802 57 E CB -0.237 29.452 29.700 -0.019 0.000 0.762 57 E HN 0.367 nan 8.360 nan 0.000 0.448 58 A N 0.438 123.238 122.820 -0.034 0.000 2.015 58 A HA 0.036 4.356 4.320 0.000 0.000 0.219 58 A C 2.294 179.860 177.584 -0.030 0.000 1.163 58 A CA 1.696 53.711 52.037 -0.038 0.000 0.646 58 A CB -0.704 18.253 19.000 -0.071 0.000 0.806 58 A HN 0.335 nan 8.150 nan 0.000 0.448 59 A N -0.688 122.108 122.820 -0.040 0.000 1.898 59 A HA -0.190 4.130 4.320 0.000 0.000 0.216 59 A C 2.169 179.764 177.584 0.019 0.000 1.181 59 A CA 1.661 53.673 52.037 -0.041 0.000 0.620 59 A CB -0.532 18.422 19.000 -0.076 0.000 0.819 59 A HN 0.624 nan 8.150 nan 0.000 0.442 60 Q N -0.623 119.193 119.800 0.026 0.000 2.124 60 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 60 Q C 2.029 178.126 176.000 0.162 0.000 0.977 60 Q CA 1.389 57.249 55.803 0.096 0.000 0.850 60 Q CB -0.278 28.496 28.738 0.060 0.000 0.901 60 Q HN 0.607 nan 8.270 nan 0.000 0.429 61 A N -0.076 122.803 122.820 0.099 0.000 2.119 61 A HA 0.160 4.480 4.320 0.000 0.000 0.216 61 A C 1.826 179.476 177.584 0.110 0.000 1.152 61 A CA 1.010 53.103 52.037 0.093 0.000 0.708 61 A CB -0.187 18.843 19.000 0.050 0.000 0.805 61 A HN 0.425 nan 8.150 nan 0.000 0.460 62 A N -2.460 120.428 122.820 0.114 0.000 2.379 62 A HA 0.271 4.591 4.320 0.000 0.000 0.236 62 A C 1.343 179.078 177.584 0.251 0.000 1.272 62 A CA 0.141 52.252 52.037 0.123 0.000 0.886 62 A CB -0.542 18.475 19.000 0.027 0.000 0.962 62 A HN 0.717 nan 8.150 nan 0.000 0.504 63 W N 0.468 121.814 121.300 0.076 0.000 2.539 63 W HA 0.148 4.808 4.660 -0.000 0.000 0.299 63 W C 2.191 178.811 176.519 0.167 0.000 1.165 63 W CA 1.174 58.598 57.345 0.132 0.000 1.400 63 W CB -0.598 28.918 29.460 0.092 0.000 1.123 63 W HN 0.305 nan 8.180 nan 0.000 0.533 64 A N 0.596 123.463 122.820 0.078 0.000 1.892 64 A HA -0.077 4.243 4.320 0.000 0.000 0.218 64 A C 2.061 179.635 177.584 -0.017 0.000 1.188 64 A CA 1.991 53.966 52.037 -0.103 0.000 0.631 64 A CB -1.585 17.384 19.000 -0.053 0.000 0.822 64 A HN 0.387 nan 8.150 nan 0.000 0.447 65 G N -3.189 105.663 108.800 0.088 0.000 3.379 65 G HA2 0.184 4.144 3.960 0.000 0.000 0.253 65 G HA3 0.184 4.144 3.960 0.000 0.000 0.253 65 G C 0.712 175.751 174.900 0.232 0.000 1.262 65 G CA 0.424 45.590 45.100 0.110 0.000 0.959 65 G HN 0.684 nan 8.290 nan 0.000 0.524 66 W N 0.458 121.773 121.300 0.024 0.000 3.336 66 W HA 0.057 4.717 4.660 -0.000 0.000 0.221 66 W C 1.989 178.535 176.519 0.044 0.000 1.086 66 W CA 0.140 57.522 57.345 0.063 0.000 1.457 66 W CB 0.421 29.962 29.460 0.135 0.000 0.756 66 W HN 0.329 nan 8.180 nan 0.000 0.783 67 R N 0.754 121.275 120.500 0.035 0.000 2.062 67 R HA 0.006 4.346 4.340 0.000 0.000 0.226 67 R C 2.023 178.225 176.300 -0.163 0.000 1.125 67 R CA 1.157 57.189 56.100 -0.114 0.000 0.966 67 R CB -1.185 28.969 30.300 -0.243 0.000 0.861 67 R HN 0.055 nan 8.270 nan 0.000 0.433 68 M N 1.410 120.924 119.600 -0.145 0.000 2.748 68 M HA 0.043 4.523 4.480 0.000 0.000 0.241 68 M C -0.380 175.852 176.300 -0.113 0.000 1.080 68 M CA 0.808 56.036 55.300 -0.120 0.000 1.068 68 M CB 0.086 32.626 32.600 -0.100 0.000 1.536 68 M HN 0.143 nan 8.290 nan 0.000 0.540 69 K N 0.157 120.463 120.400 -0.157 0.000 2.155 69 K HA 0.188 4.508 4.320 0.000 0.000 0.237 69 K C 0.428 176.925 176.600 -0.172 0.000 1.040 69 K CA -0.216 55.964 56.287 -0.177 0.000 0.912 69 K CB 0.563 32.895 32.500 -0.280 0.000 1.137 69 K HN 0.129 nan 8.250 nan 0.000 0.498 70 T N -2.044 112.418 114.554 -0.154 0.000 2.882 70 T HA 0.330 4.680 4.350 0.000 0.000 0.287 70 T C 1.090 175.693 174.700 -0.161 0.000 0.992 70 T CA -0.630 61.392 62.100 -0.130 0.000 1.076 70 T CB 1.645 70.456 68.868 -0.094 0.000 0.961 70 T HN 0.549 nan 8.240 nan 0.000 0.490 71 A N 1.949 124.689 122.820 -0.132 0.000 1.986 71 A HA -0.119 4.201 4.320 0.000 0.000 0.220 71 A C 2.309 179.826 177.584 -0.111 0.000 1.171 71 A CA 1.817 53.779 52.037 -0.125 0.000 0.640 71 A CB -0.837 18.115 19.000 -0.080 0.000 0.811 71 A HN 0.964 nan 8.150 nan 0.000 0.451 72 K N -0.527 119.815 120.400 -0.096 0.000 2.074 72 K HA -0.237 4.083 4.320 0.000 0.000 0.209 72 K C 2.061 178.614 176.600 -0.077 0.000 1.048 72 K CA 1.928 58.168 56.287 -0.079 0.000 0.926 72 K CB -0.135 32.324 32.500 -0.068 0.000 0.713 72 K HN 0.677 nan 8.250 nan 0.000 0.444 73 E N 0.021 120.161 120.200 -0.100 0.000 2.028 73 E HA -0.122 4.228 4.350 0.000 0.000 0.190 73 E C 2.013 178.553 176.600 -0.101 0.000 0.984 73 E CA 0.772 57.117 56.400 -0.093 0.000 0.800 73 E CB 0.170 29.803 29.700 -0.113 0.000 0.758 73 E HN 0.224 nan 8.360 nan 0.000 0.448 74 R N 0.233 120.612 120.500 -0.202 0.000 2.133 74 R HA -0.201 4.139 4.340 0.000 0.000 0.247 74 R C 2.343 178.647 176.300 0.007 0.000 1.151 74 R CA 1.185 57.154 56.100 -0.218 0.000 0.971 74 R CB -0.501 29.559 30.300 -0.400 0.000 0.866 74 R HN 0.160 nan 8.270 nan 0.000 0.447 75 A N 1.377 124.188 122.820 -0.014 0.000 1.972 75 A HA -0.077 4.243 4.320 0.000 0.000 0.219 75 A C 2.369 179.981 177.584 0.046 0.000 1.169 75 A CA 1.623 53.670 52.037 0.016 0.000 0.635 75 A CB -0.442 18.537 19.000 -0.035 0.000 0.810 75 A HN 0.414 nan 8.150 nan 0.000 0.446 76 A N -0.545 122.297 122.820 0.038 0.000 2.014 76 A HA 0.114 4.434 4.320 0.000 0.000 0.218 76 A C 2.006 179.658 177.584 0.113 0.000 1.163 76 A CA 1.166 53.238 52.037 0.059 0.000 0.652 76 A CB -0.433 18.587 19.000 0.034 0.000 0.808 76 A HN 0.492 nan 8.150 nan 0.000 0.449 77 I N -0.503 120.156 120.570 0.148 0.000 2.206 77 I HA -0.170 4.000 4.170 0.000 0.000 0.239 77 I C 2.168 178.468 176.117 0.305 0.000 1.078 77 I CA 0.900 62.333 61.300 0.222 0.000 1.367 77 I CB -0.363 37.814 38.000 0.295 0.000 1.078 77 I HN 0.212 nan 8.210 nan 0.000 0.413 78 L N 0.429 121.857 121.223 0.340 0.000 2.189 78 L HA -0.224 4.116 4.340 0.000 0.000 0.214 78 L C 2.664 179.726 176.870 0.320 0.000 1.097 78 L CA 1.295 56.379 54.840 0.406 0.000 0.764 78 L CB -0.554 41.694 42.059 0.315 0.000 0.900 78 L HN 0.264 nan 8.230 nan 0.000 0.436 79 R N -0.014 120.624 120.500 0.230 0.000 2.100 79 R HA -0.028 4.312 4.340 0.000 0.000 0.220 79 R C 2.463 178.933 176.300 0.284 0.000 1.091 79 R CA 0.509 56.738 56.100 0.215 0.000 0.986 79 R CB 0.057 30.413 30.300 0.093 0.000 0.888 79 R HN 0.184 nan 8.270 nan 0.000 0.444 80 R N -0.466 120.176 120.500 0.237 0.000 2.091 80 R HA -0.196 4.144 4.340 0.000 0.000 0.238 80 R C 1.864 178.333 176.300 0.280 0.000 1.136 80 R CA 1.691 57.917 56.100 0.210 0.000 0.959 80 R CB -0.443 29.951 30.300 0.158 0.000 0.856 80 R HN 0.332 nan 8.270 nan 0.000 0.437 81 W N 1.214 122.579 121.300 0.108 0.000 2.353 81 W HA -0.245 4.415 4.660 -0.000 0.000 0.319 81 W C 1.898 178.485 176.519 0.112 0.000 1.207 81 W CA 1.007 58.406 57.345 0.089 0.000 1.291 81 W CB -1.188 28.331 29.460 0.098 0.000 1.159 81 W HN 0.012 nan 8.180 nan 0.000 0.478 82 F N 2.182 122.162 119.950 0.050 0.000 2.085 82 F HA -0.361 4.166 4.527 0.000 0.000 0.299 82 F C 2.111 177.912 175.800 0.001 0.000 1.096 82 F CA 2.860 60.810 58.000 -0.084 0.000 1.227 82 F CB -0.786 38.184 39.000 -0.050 0.000 0.983 82 F HN -0.162 nan 8.300 nan 0.000 0.482 83 D N 0.560 120.981 120.400 0.036 0.000 2.097 83 D HA -0.170 4.470 4.640 0.000 0.000 0.195 83 D C 2.462 178.715 176.300 -0.078 0.000 0.989 83 D CA 1.729 55.689 54.000 -0.067 0.000 0.827 83 D CB -0.566 40.291 40.800 0.094 0.000 0.966 83 D HN 0.368 nan 8.370 nan 0.000 0.456 84 L N 0.546 121.790 121.223 0.034 0.000 2.131 84 L HA -0.153 4.187 4.340 0.000 0.000 0.210 84 L C 2.537 179.423 176.870 0.026 0.000 1.092 84 L CA 0.481 55.351 54.840 0.050 0.000 0.759 84 L CB -0.243 41.877 42.059 0.103 0.000 0.903 84 L HN -0.060 nan 8.230 nan 0.000 0.435 85 V N -0.223 119.688 119.914 -0.005 0.000 2.343 85 V HA -0.276 3.844 4.120 0.000 0.000 0.247 85 V C 2.364 178.375 176.094 -0.138 0.000 1.051 85 V CA 1.395 63.659 62.300 -0.059 0.000 1.036 85 V CB -0.398 31.335 31.823 -0.150 0.000 0.654 85 V HN 0.306 nan 8.190 nan 0.000 0.451 86 I N 0.637 121.041 120.570 -0.277 0.000 2.315 86 I HA -0.172 3.998 4.170 0.000 0.000 0.248 86 I C 2.696 178.744 176.117 -0.114 0.000 1.117 86 I CA 1.799 62.945 61.300 -0.256 0.000 1.404 86 I CB -1.442 36.308 38.000 -0.416 0.000 1.071 86 I HN 0.322 nan 8.210 nan 0.000 0.419 87 A N 0.989 123.761 122.820 -0.080 0.000 1.873 87 A HA -0.123 4.197 4.320 0.000 0.000 0.215 87 A C 1.491 179.070 177.584 -0.007 0.000 1.186 87 A CA 1.194 53.214 52.037 -0.029 0.000 0.616 87 A CB -0.579 18.414 19.000 -0.011 0.000 0.823 87 A HN 0.428 nan 8.150 nan 0.000 0.442 88 N N 0.553 119.256 118.700 0.004 0.000 3.250 88 N HA 0.118 4.858 4.740 0.000 0.000 0.307 88 N C 0.663 176.188 175.510 0.023 0.000 1.355 88 N CA 0.322 53.387 53.050 0.026 0.000 1.192 88 N CB 0.795 39.314 38.487 0.053 0.000 1.478 88 N HN 0.417 nan 8.380 nan 0.000 0.543 89 S N 1.182 116.888 115.700 0.010 0.000 2.348 89 S HA -0.087 4.383 4.470 0.000 0.000 0.219 89 S C 1.067 175.683 174.600 0.026 0.000 1.033 89 S CA 1.150 59.357 58.200 0.012 0.000 0.974 89 S CB 0.188 63.389 63.200 0.002 0.000 0.868 89 S HN 0.294 nan 8.310 nan 0.000 0.459 90 D N 1.019 121.433 120.400 0.024 0.000 2.219 90 D HA -0.023 4.617 4.640 0.000 0.000 0.205 90 D C 1.374 177.692 176.300 0.029 0.000 0.970 90 D CA 0.993 55.009 54.000 0.026 0.000 0.851 90 D CB -0.174 40.639 40.800 0.021 0.000 0.943 90 D HN 0.368 nan 8.370 nan 0.000 0.488 91 D N -0.516 119.903 120.400 0.031 0.000 2.162 91 D HA 0.031 4.671 4.640 0.000 0.000 0.205 91 D C 2.023 178.347 176.300 0.041 0.000 0.964 91 D CA 0.257 54.276 54.000 0.031 0.000 0.847 91 D CB -0.138 40.682 40.800 0.032 0.000 0.988 91 D HN 0.142 nan 8.370 nan 0.000 0.480 92 L N 0.603 121.860 121.223 0.056 0.000 2.093 92 L HA -0.094 4.246 4.340 0.000 0.000 0.208 92 L C 2.302 179.212 176.870 0.067 0.000 1.085 92 L CA 1.019 55.902 54.840 0.072 0.000 0.755 92 L CB -0.206 41.905 42.059 0.087 0.000 0.904 92 L HN -0.029 nan 8.230 nan 0.000 0.435 93 A N -0.331 122.523 122.820 0.057 0.000 1.933 93 A HA -0.172 4.148 4.320 0.000 0.000 0.218 93 A C 2.428 180.040 177.584 0.047 0.000 1.175 93 A CA 2.055 54.124 52.037 0.054 0.000 0.628 93 A CB -1.176 17.853 19.000 0.048 0.000 0.814 93 A HN 0.320 nan 8.150 nan 0.000 0.444 94 L N -0.890 120.357 121.223 0.039 0.000 2.109 94 L HA 0.155 4.495 4.340 0.000 0.000 0.207 94 L C 2.558 179.448 176.870 0.033 0.000 1.086 94 L CA 2.132 56.990 54.840 0.031 0.000 0.760 94 L CB -1.428 40.642 42.059 0.019 0.000 0.910 94 L HN 0.501 nan 8.230 nan 0.000 0.437 95 I N -1.096 119.497 120.570 0.038 0.000 2.454 95 I HA -0.231 3.939 4.170 0.000 0.000 0.254 95 I C 2.392 178.562 176.117 0.088 0.000 1.156 95 I CA 1.392 62.722 61.300 0.050 0.000 1.433 95 I CB 0.185 38.220 38.000 0.058 0.000 1.082 95 I HN 0.528 nan 8.210 nan 0.000 0.432 96 L N -0.938 120.332 121.223 0.079 0.000 2.221 96 L HA -0.055 4.285 4.340 0.000 0.000 0.202 96 L C 2.406 179.312 176.870 0.060 0.000 1.074 96 L CA 0.923 55.811 54.840 0.080 0.000 0.795 96 L CB -0.147 41.957 42.059 0.076 0.000 0.960 96 L HN 0.069 nan 8.230 nan 0.000 0.458 97 T N -0.640 113.944 114.554 0.049 0.000 2.643 97 T HA -0.197 4.153 4.350 0.000 0.000 0.264 97 T C 1.710 176.436 174.700 0.044 0.000 1.045 97 T CA 2.125 64.249 62.100 0.039 0.000 1.155 97 T CB -0.411 68.480 68.868 0.039 0.000 0.863 97 T HN 0.363 nan 8.240 nan 0.000 0.420 98 T N 2.169 116.753 114.554 0.050 0.000 2.624 98 T HA -0.199 4.151 4.350 0.000 0.000 0.268 98 T C 1.986 176.730 174.700 0.073 0.000 1.041 98 T CA 1.944 64.077 62.100 0.055 0.000 1.159 98 T CB -0.432 68.466 68.868 0.049 0.000 0.863 98 T HN 0.776 nan 8.240 nan 0.000 0.434 99 E N 0.009 120.270 120.200 0.101 0.000 2.358 99 E HA -0.055 4.295 4.350 0.000 0.000 0.195 99 E C 2.111 178.757 176.600 0.078 0.000 1.010 99 E CA 0.667 57.141 56.400 0.124 0.000 0.856 99 E CB 0.047 29.872 29.700 0.208 0.000 0.795 99 E HN 0.364 nan 8.360 nan 0.000 0.504 100 Q N -0.691 119.145 119.800 0.060 0.000 2.254 100 Q HA 0.123 4.463 4.340 0.000 0.000 0.259 100 Q C 1.093 177.105 176.000 0.020 0.000 0.815 100 Q CA 0.973 56.806 55.803 0.051 0.000 0.961 100 Q CB 1.406 30.184 28.738 0.067 0.000 1.140 100 Q HN 0.416 nan 8.270 nan 0.000 0.502 101 G N 2.040 110.842 108.800 0.004 0.000 2.313 101 G HA2 -0.279 3.681 3.960 0.000 0.000 0.215 101 G HA3 -0.279 3.681 3.960 0.000 0.000 0.215 101 G C -0.000 174.893 174.900 -0.012 0.000 1.023 101 G CA 0.105 45.187 45.100 -0.029 0.000 0.626 101 G HN 0.361 nan 8.290 nan 0.000 0.503 102 K N 1.942 122.337 120.400 -0.009 0.000 2.451 102 K HA 0.474 4.794 4.320 0.000 0.000 0.280 102 K C -2.486 174.122 176.600 0.013 0.000 1.020 102 K CA -1.089 55.191 56.287 -0.010 0.000 1.008 102 K CB 0.416 32.884 32.500 -0.053 0.000 0.917 102 K HN 0.119 nan 8.250 nan 0.000 0.478 103 P HA -0.177 nan 4.420 nan 0.000 0.265 103 P C 0.844 178.165 177.300 0.035 0.000 1.167 103 P CA 0.310 63.432 63.100 0.037 0.000 0.760 103 P CB 0.376 32.100 31.700 0.038 0.000 0.783 104 L N 2.450 123.695 121.223 0.038 0.000 2.051 104 L HA -0.347 3.993 4.340 0.000 0.000 0.214 104 L C 2.242 179.136 176.870 0.040 0.000 1.076 104 L CA 2.244 57.106 54.840 0.038 0.000 0.758 104 L CB -0.878 41.202 42.059 0.035 0.000 0.890 104 L HN 0.485 nan 8.230 nan 0.000 0.433 105 A N 0.164 123.008 122.820 0.039 0.000 1.842 105 A HA -0.290 4.030 4.320 0.000 0.000 0.217 105 A C 2.054 179.669 177.584 0.052 0.000 1.206 105 A CA 2.161 54.224 52.037 0.043 0.000 0.630 105 A CB -0.776 18.248 19.000 0.040 0.000 0.839 105 A HN 0.513 nan 8.150 nan 0.000 0.447 106 E N -0.368 119.861 120.200 0.049 0.000 2.160 106 E HA -0.152 4.198 4.350 0.000 0.000 0.195 106 E C 2.278 178.920 176.600 0.070 0.000 0.991 106 E CA 0.923 57.357 56.400 0.057 0.000 0.810 106 E CB -0.343 29.377 29.700 0.033 0.000 0.742 106 E HN 0.633 nan 8.360 nan 0.000 0.466 107 A N 1.904 124.757 122.820 0.054 0.000 1.858 107 A HA -0.232 4.088 4.320 0.000 0.000 0.216 107 A C 2.009 179.642 177.584 0.083 0.000 1.190 107 A CA 1.583 53.657 52.037 0.062 0.000 0.617 107 A CB -0.305 18.724 19.000 0.049 0.000 0.827 107 A HN 0.052 nan 8.150 nan 0.000 0.443 108 K N -0.706 119.736 120.400 0.071 0.000 2.026 108 K HA -0.096 4.224 4.320 0.000 0.000 0.208 108 K C 2.171 178.826 176.600 0.092 0.000 1.048 108 K CA 1.083 57.413 56.287 0.071 0.000 0.929 108 K CB -0.585 31.948 32.500 0.056 0.000 0.713 108 K HN 0.466 nan 8.250 nan 0.000 0.439 109 G N 1.786 110.643 108.800 0.096 0.000 2.553 109 G HA2 -0.378 3.582 3.960 0.000 0.000 0.218 109 G HA3 -0.378 3.582 3.960 0.000 0.000 0.218 109 G C 1.374 176.371 174.900 0.162 0.000 1.195 109 G CA 1.387 46.555 45.100 0.114 0.000 0.779 109 G HN 0.503 nan 8.290 nan 0.000 0.577 110 E N -0.183 120.130 120.200 0.188 0.000 2.153 110 E HA -0.124 4.226 4.350 0.000 0.000 0.194 110 E C 2.452 179.205 176.600 0.255 0.000 0.988 110 E CA 0.580 57.141 56.400 0.268 0.000 0.811 110 E CB -0.110 29.816 29.700 0.375 0.000 0.746 110 E HN 0.322 nan 8.360 nan 0.000 0.466 111 I N 1.649 122.323 120.570 0.172 0.000 2.142 111 I HA -0.233 3.937 4.170 0.000 0.000 0.240 111 I C 2.580 178.762 176.117 0.109 0.000 1.078 111 I CA 1.483 62.856 61.300 0.123 0.000 1.343 111 I CB -1.602 36.447 38.000 0.082 0.000 1.046 111 I HN 0.206 nan 8.210 nan 0.000 0.405 112 A N -0.360 122.531 122.820 0.118 0.000 1.902 112 A HA -0.297 4.023 4.320 0.000 0.000 0.217 112 A C 2.392 180.082 177.584 0.176 0.000 1.181 112 A CA 1.636 53.741 52.037 0.114 0.000 0.623 112 A CB -1.274 17.792 19.000 0.111 0.000 0.818 112 A HN 0.493 nan 8.150 nan 0.000 0.443 113 Y N 0.675 121.030 120.300 0.092 0.000 2.207 113 Y HA -0.167 4.383 4.550 0.000 0.000 0.287 113 Y C 2.576 178.598 175.900 0.203 0.000 1.156 113 Y CA 1.352 59.526 58.100 0.123 0.000 1.182 113 Y CB -0.360 38.144 38.460 0.074 0.000 0.979 113 Y HN 0.326 nan 8.280 nan 0.000 0.521 114 A N 0.293 123.236 122.820 0.204 0.000 1.873 114 A HA -0.054 4.266 4.320 0.000 0.000 0.215 114 A C 2.443 180.066 177.584 0.064 0.000 1.186 114 A CA 1.695 53.785 52.037 0.088 0.000 0.616 114 A CB -1.535 17.511 19.000 0.078 0.000 0.823 114 A HN 0.579 nan 8.150 nan 0.000 0.442 115 A N 0.650 123.503 122.820 0.055 0.000 1.865 115 A HA -0.179 4.141 4.320 0.000 0.000 0.217 115 A C 2.526 180.303 177.584 0.321 0.000 1.191 115 A CA 2.847 54.929 52.037 0.075 0.000 0.623 115 A CB -1.279 17.657 19.000 -0.106 0.000 0.826 115 A HN 1.111 nan 8.150 nan 0.000 0.444 116 S N -1.268 114.576 115.700 0.240 0.000 2.420 116 S HA -0.183 4.287 4.470 0.000 0.000 0.237 116 S C 1.683 176.268 174.600 -0.025 0.000 1.023 116 S CA 1.582 59.852 58.200 0.116 0.000 0.991 116 S CB -0.791 62.405 63.200 -0.007 0.000 0.792 116 S HN 0.386 nan 8.310 nan 0.000 0.488 117 F N 1.693 121.584 119.950 -0.098 0.000 2.293 117 F HA 0.208 4.735 4.527 0.000 0.000 0.300 117 F C 2.014 177.863 175.800 0.082 0.000 1.086 117 F CA 0.774 58.738 58.000 -0.059 0.000 1.375 117 F CB -0.266 38.637 39.000 -0.161 0.000 1.045 117 F HN 0.205 nan 8.300 nan 0.000 0.516 118 I N -1.039 119.628 120.570 0.161 0.000 2.333 118 I HA -0.179 3.991 4.170 0.000 0.000 0.246 118 I C 2.350 178.483 176.117 0.027 0.000 1.106 118 I CA 0.941 62.275 61.300 0.057 0.000 1.411 118 I CB -0.657 37.238 38.000 -0.175 0.000 1.082 118 I HN 0.046 nan 8.210 nan 0.000 0.420 119 E N 1.318 121.468 120.200 -0.083 0.000 2.049 119 E HA -0.293 4.057 4.350 0.000 0.000 0.198 119 E C 2.073 178.550 176.600 -0.206 0.000 1.007 119 E CA 2.014 58.174 56.400 -0.400 0.000 0.809 119 E CB -0.257 29.054 29.700 -0.648 0.000 0.749 119 E HN 0.582 nan 8.360 nan 0.000 0.450 120 W N 0.257 121.375 121.300 -0.304 0.000 2.311 120 W HA -0.276 4.384 4.660 -0.000 0.000 0.326 120 W C 1.857 178.179 176.519 -0.329 0.000 1.239 120 W CA 1.465 58.578 57.345 -0.388 0.000 1.258 120 W CB -0.706 28.396 29.460 -0.597 0.000 1.165 120 W HN 0.127 nan 8.180 nan 0.000 0.466 121 F N 0.868 120.842 119.950 0.040 0.000 2.234 121 F HA -0.080 4.447 4.527 0.000 0.000 0.299 121 F C 2.724 178.471 175.800 -0.088 0.000 1.087 121 F CA 1.840 59.832 58.000 -0.012 0.000 1.340 121 F CB -1.397 37.656 39.000 0.088 0.000 1.031 121 F HN -0.081 nan 8.300 nan 0.000 0.500 122 A N 0.473 123.339 122.820 0.077 0.000 1.870 122 A HA -0.312 4.008 4.320 0.000 0.000 0.219 122 A C 2.143 179.669 177.584 -0.097 0.000 1.224 122 A CA 2.388 54.428 52.037 0.005 0.000 0.650 122 A CB -1.049 17.928 19.000 -0.038 0.000 0.836 122 A HN 0.468 nan 8.150 nan 0.000 0.454 123 E N -0.836 119.228 120.200 -0.228 0.000 2.085 123 E HA -0.198 4.152 4.350 0.000 0.000 0.194 123 E C 2.091 178.494 176.600 -0.327 0.000 0.994 123 E CA 1.071 57.284 56.400 -0.312 0.000 0.801 123 E CB -0.202 29.228 29.700 -0.450 0.000 0.743 123 E HN 0.538 nan 8.360 nan 0.000 0.453 124 E N 0.336 120.287 120.200 -0.415 0.000 2.130 124 E HA -0.173 4.177 4.350 0.000 0.000 0.196 124 E C 2.251 178.797 176.600 -0.090 0.000 0.998 124 E CA 1.150 57.369 56.400 -0.302 0.000 0.806 124 E CB -0.532 29.013 29.700 -0.258 0.000 0.738 124 E HN 0.390 nan 8.360 nan 0.000 0.459 125 G N 1.806 110.592 108.800 -0.024 0.000 2.505 125 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 125 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 125 G C 1.396 176.275 174.900 -0.034 0.000 1.145 125 G CA 1.059 46.163 45.100 0.006 0.000 0.761 125 G HN 0.296 nan 8.290 nan 0.000 0.571 126 K N -0.166 120.189 120.400 -0.074 0.000 2.555 126 K HA 0.100 4.420 4.320 0.000 0.000 0.193 126 K C 1.997 178.551 176.600 -0.076 0.000 1.032 126 K CA 0.370 56.610 56.287 -0.079 0.000 1.004 126 K CB 0.140 32.582 32.500 -0.097 0.000 0.804 126 K HN 0.209 nan 8.250 nan 0.000 0.496 127 R N -0.000 120.456 120.500 -0.073 0.000 2.469 127 R HA 0.105 4.445 4.340 0.000 0.000 0.250 127 R C -0.238 176.045 176.300 -0.028 0.000 0.909 127 R CA -0.134 55.924 56.100 -0.070 0.000 1.050 127 R CB 0.963 31.194 30.300 -0.115 0.000 1.256 127 R HN -0.127 nan 8.270 nan 0.000 0.550 128 V N 2.644 122.560 119.914 0.004 0.000 2.546 128 V HA -0.037 4.083 4.120 0.000 0.000 0.279 128 V C 0.360 176.469 176.094 0.025 0.000 0.968 128 V CA 0.343 62.666 62.300 0.038 0.000 1.157 128 V CB -0.403 31.459 31.823 0.065 0.000 0.938 128 V HN 0.196 nan 8.190 nan 0.000 0.464 129 A N 4.777 127.610 122.820 0.022 0.000 2.337 129 A HA 0.879 5.199 4.320 0.000 0.000 0.329 129 A C 0.522 178.124 177.584 0.030 0.000 1.146 129 A CA 0.106 52.151 52.037 0.014 0.000 0.800 129 A CB 1.481 20.478 19.000 -0.006 0.000 1.220 129 A HN 0.845 nan 8.150 nan 0.000 0.472 130 G N 0.128 108.946 108.800 0.030 0.000 2.828 130 G HA2 0.629 4.589 3.960 0.000 0.000 0.244 130 G HA3 0.629 4.589 3.960 0.000 0.000 0.244 130 G C -0.991 173.927 174.900 0.030 0.000 1.365 130 G CA -0.500 44.624 45.100 0.040 0.000 1.041 130 G HN 0.670 nan 8.290 nan 0.000 0.560 131 D N -0.818 119.605 120.400 0.038 0.000 2.477 131 D HA 0.518 5.158 4.640 0.000 0.000 0.234 131 D C -0.637 175.684 176.300 0.036 0.000 1.048 131 D CA -0.202 53.816 54.000 0.030 0.000 0.959 131 D CB 2.022 42.838 40.800 0.026 0.000 1.408 131 D HN 0.524 nan 8.370 nan 0.000 0.496 132 T N -1.020 113.550 114.554 0.027 0.000 2.841 132 T HA 0.692 5.042 4.350 0.000 0.000 0.285 132 T C -0.671 174.042 174.700 0.023 0.000 0.991 132 T CA -0.681 61.437 62.100 0.031 0.000 0.966 132 T CB 0.601 69.483 68.868 0.024 0.000 0.962 132 T HN 0.257 nan 8.240 nan 0.000 0.438 133 L N 3.097 124.336 121.223 0.027 0.000 2.333 133 L HA 0.676 5.016 4.340 0.000 0.000 0.263 133 L C -2.428 174.452 176.870 0.017 0.000 1.014 133 L CA -2.815 52.034 54.840 0.015 0.000 0.820 133 L CB 2.042 44.102 42.059 0.002 0.000 1.352 133 L HN 0.447 nan 8.230 nan 0.000 0.421 134 P HA 0.082 nan 4.420 nan 0.000 0.271 134 P C -0.358 176.951 177.300 0.014 0.000 1.220 134 P CA -0.189 62.917 63.100 0.011 0.000 0.768 134 P CB 0.735 32.438 31.700 0.005 0.000 0.848 135 T N 3.830 118.396 114.554 0.020 0.000 2.930 135 T HA 0.147 4.497 4.350 0.000 0.000 0.306 135 T C -0.939 173.771 174.700 0.016 0.000 1.045 135 T CA -1.104 61.011 62.100 0.025 0.000 1.134 135 T CB -0.073 68.812 68.868 0.029 0.000 0.961 135 T HN 0.342 nan 8.240 nan 0.000 0.545 136 P HA 0.212 nan 4.420 nan 0.000 0.226 136 P C -0.177 177.131 177.300 0.014 0.000 1.161 136 P CA 0.486 63.593 63.100 0.012 0.000 0.804 136 P CB 0.348 32.054 31.700 0.010 0.000 0.829 137 D N -1.360 119.052 120.400 0.019 0.000 2.787 137 D HA 0.475 5.115 4.640 0.000 0.000 0.246 137 D C 0.956 177.267 176.300 0.018 0.000 1.150 137 D CA -0.602 53.408 54.000 0.017 0.000 0.864 137 D CB 2.092 42.903 40.800 0.018 0.000 1.481 137 D HN -0.147 nan 8.370 nan 0.000 0.509 138 A N 3.892 126.720 122.820 0.014 0.000 1.903 138 A HA -0.256 4.064 4.320 0.000 0.000 0.219 138 A C 1.530 179.123 177.584 0.014 0.000 1.191 138 A CA 1.468 53.513 52.037 0.013 0.000 0.638 138 A CB -0.523 18.483 19.000 0.009 0.000 0.823 138 A HN 0.714 nan 8.150 nan 0.000 0.451 139 N N 0.123 118.831 118.700 0.014 0.000 2.635 139 N HA -0.025 4.715 4.740 0.000 0.000 0.191 139 N C 0.194 175.713 175.510 0.016 0.000 1.155 139 N CA 0.915 53.973 53.050 0.013 0.000 0.927 139 N CB -0.069 38.424 38.487 0.011 0.000 0.976 139 N HN 0.596 nan 8.380 nan 0.000 0.448 140 K N -0.172 120.242 120.400 0.023 0.000 2.395 140 K HA 0.571 4.891 4.320 0.000 0.000 0.245 140 K C -0.640 175.983 176.600 0.039 0.000 1.017 140 K CA -0.737 55.569 56.287 0.032 0.000 0.852 140 K CB 1.955 34.483 32.500 0.046 0.000 1.311 140 K HN -0.232 nan 8.250 nan 0.000 0.452 141 R N 1.188 121.717 120.500 0.049 0.000 2.548 141 R HA 0.432 4.772 4.340 0.000 0.000 0.280 141 R C -1.741 174.612 176.300 0.088 0.000 1.061 141 R CA -0.356 55.776 56.100 0.053 0.000 0.915 141 R CB 0.913 31.231 30.300 0.031 0.000 1.210 141 R HN 0.559 nan 8.270 nan 0.000 0.442 142 I N 4.110 124.744 120.570 0.106 0.000 2.315 142 I HA 0.461 4.631 4.170 0.000 0.000 0.291 142 I C -0.464 175.738 176.117 0.141 0.000 1.006 142 I CA -0.872 60.536 61.300 0.179 0.000 1.265 142 I CB 1.560 39.642 38.000 0.135 0.000 1.387 142 I HN 0.149 nan 8.210 nan 0.000 0.475 143 V N 6.944 126.965 119.914 0.178 0.000 2.789 143 V HA 0.515 4.635 4.120 0.000 0.000 0.311 143 V C -0.382 175.814 176.094 0.170 0.000 1.073 143 V CA -0.698 61.673 62.300 0.119 0.000 0.921 143 V CB 2.607 34.466 31.823 0.060 0.000 1.009 143 V HN 0.393 nan 8.190 nan 0.000 0.426 144 V N 4.656 124.642 119.914 0.121 0.000 2.525 144 V HA 0.637 4.757 4.120 0.000 0.000 0.299 144 V C -0.302 175.840 176.094 0.081 0.000 1.034 144 V CA -0.563 61.812 62.300 0.126 0.000 0.863 144 V CB 1.981 33.869 31.823 0.108 0.000 0.999 144 V HN 0.789 nan 8.190 nan 0.000 0.423 145 V N 2.529 122.489 119.914 0.077 0.000 3.019 145 V HA 0.803 4.923 4.120 0.000 0.000 0.317 145 V C -0.686 175.449 176.094 0.068 0.000 1.094 145 V CA -0.969 61.365 62.300 0.057 0.000 1.000 145 V CB 2.248 34.095 31.823 0.039 0.000 1.060 145 V HN 0.816 nan 8.190 nan 0.000 0.443 146 K N 1.629 122.067 120.400 0.064 0.000 2.507 146 K HA 0.604 4.924 4.320 0.000 0.000 0.251 146 K C -1.161 175.490 176.600 0.085 0.000 0.943 146 K CA -0.544 55.792 56.287 0.081 0.000 0.794 146 K CB 2.323 34.874 32.500 0.085 0.000 1.188 146 K HN 1.007 nan 8.250 nan 0.000 0.428 147 E N 2.007 122.271 120.200 0.108 0.000 2.416 147 E HA 0.475 4.825 4.350 0.000 0.000 0.273 147 E C -2.870 173.848 176.600 0.197 0.000 0.935 147 E CA -2.691 53.785 56.400 0.126 0.000 0.784 147 E CB 1.706 31.467 29.700 0.101 0.000 1.301 147 E HN 0.129 nan 8.360 nan 0.000 0.454 148 P HA -0.056 nan 4.420 nan 0.000 0.264 148 P C 0.576 178.117 177.300 0.403 0.000 1.183 148 P CA 0.218 63.553 63.100 0.392 0.000 0.763 148 P CB 0.951 33.035 31.700 0.640 0.000 0.807 149 I N 1.944 122.653 120.570 0.232 0.000 2.076 149 I HA -0.114 4.056 4.170 0.000 0.000 0.237 149 I C 1.061 177.199 176.117 0.035 0.000 1.059 149 I CA 2.363 63.735 61.300 0.121 0.000 1.317 149 I CB -0.340 37.681 38.000 0.035 0.000 1.037 149 I HN 0.611 nan 8.210 nan 0.000 0.398 150 G N -1.067 107.573 108.800 -0.265 0.000 2.364 150 G HA2 0.295 4.255 3.960 0.000 0.000 0.286 150 G HA3 0.295 4.255 3.960 0.000 0.000 0.286 150 G C -1.357 173.014 174.900 -0.881 0.000 1.241 150 G CA -0.185 44.439 45.100 -0.793 0.000 0.887 150 G HN 0.043 nan 8.290 nan 0.000 0.484 151 V N -0.120 119.370 119.914 -0.706 0.000 2.715 151 V HA 0.419 4.539 4.120 0.000 0.000 0.299 151 V C 0.374 176.318 176.094 -0.250 0.000 1.054 151 V CA -0.261 61.767 62.300 -0.454 0.000 1.077 151 V CB 0.863 32.503 31.823 -0.305 0.000 0.972 151 V HN 0.792 nan 8.190 nan 0.000 0.484 152 C N 3.343 122.547 119.300 -0.161 0.000 2.470 152 C HA 0.968 5.428 4.460 0.000 0.000 0.341 152 C C 0.438 175.401 174.990 -0.045 0.000 1.190 152 C CA -0.296 58.679 59.018 -0.071 0.000 1.904 152 C CB 1.258 29.021 27.740 0.039 0.000 2.354 152 C HN 1.093 nan 8.230 nan 0.000 0.509 153 A N 1.000 123.807 122.820 -0.023 0.000 2.572 153 A HA 0.965 5.285 4.320 0.000 0.000 0.295 153 A C -1.320 176.278 177.584 0.024 0.000 1.072 153 A CA -0.218 51.816 52.037 -0.003 0.000 0.691 153 A CB 1.306 20.296 19.000 -0.016 0.000 1.291 153 A HN 1.719 nan 8.150 nan 0.000 0.404 154 A N 1.009 123.854 122.820 0.041 0.000 2.437 154 A HA 0.679 4.999 4.320 0.000 0.000 0.293 154 A C -1.263 176.364 177.584 0.072 0.000 1.038 154 A CA -0.307 51.767 52.037 0.061 0.000 0.708 154 A CB 0.518 19.558 19.000 0.067 0.000 1.251 154 A HN 0.845 nan 8.150 nan 0.000 0.409 155 I N 1.911 122.550 120.570 0.115 0.000 2.392 155 I HA 0.660 4.830 4.170 0.000 0.000 0.295 155 I C 0.567 176.724 176.117 0.067 0.000 0.985 155 I CA -0.097 61.296 61.300 0.154 0.000 1.221 155 I CB 2.207 40.406 38.000 0.332 0.000 1.366 155 I HN 0.680 nan 8.210 nan 0.000 0.467 156 T N 3.266 117.836 114.554 0.028 0.000 2.900 156 T HA 0.694 5.044 4.350 0.000 0.000 0.295 156 T C -2.707 171.963 174.700 -0.050 0.000 1.044 156 T CA -1.817 60.248 62.100 -0.058 0.000 0.995 156 T CB 2.350 71.204 68.868 -0.024 0.000 1.072 156 T HN 0.291 nan 8.240 nan 0.000 0.473 157 P HA 0.320 nan 4.420 nan 0.000 0.323 157 P C 0.462 177.745 177.300 -0.028 0.000 1.309 157 P CA -0.496 62.532 63.100 -0.120 0.000 0.739 157 P CB 0.784 32.284 31.700 -0.333 0.000 1.454 158 W N -0.546 120.736 121.300 -0.029 0.000 2.871 158 W HA 0.116 4.776 4.660 0.000 0.000 0.340 158 W C 0.588 177.069 176.519 -0.063 0.000 1.058 158 W CA 0.181 57.502 57.345 -0.041 0.000 1.633 158 W CB -1.601 27.826 29.460 -0.054 0.000 1.067 158 W HN 0.175 nan 8.180 nan 0.000 0.554 159 N N 1.936 120.251 118.700 -0.641 0.000 2.207 159 N HA -0.100 4.640 4.740 0.000 0.000 0.182 159 N C -0.051 175.107 175.510 -0.585 0.000 1.020 159 N CA 0.940 53.593 53.050 -0.661 0.000 0.858 159 N CB -1.028 36.988 38.487 -0.785 0.000 0.991 159 N HN -0.018 nan 8.380 nan 0.000 0.427 160 F N 0.472 120.311 119.950 -0.185 0.000 2.449 160 F HA 0.422 4.949 4.527 0.000 0.000 0.344 160 F C -1.875 173.887 175.800 -0.064 0.000 1.180 160 F CA -2.128 55.807 58.000 -0.108 0.000 1.209 160 F CB 1.966 40.882 39.000 -0.140 0.000 1.440 160 F HN -0.023 nan 8.300 nan 0.000 0.526 161 P HA 0.091 nan 4.420 nan 0.000 0.245 161 P C 0.722 178.083 177.300 0.102 0.000 1.212 161 P CA 0.699 63.850 63.100 0.085 0.000 0.774 161 P CB 0.638 32.390 31.700 0.087 0.000 0.999 162 A N 0.045 122.941 122.820 0.126 0.000 1.989 162 A HA 0.508 4.828 4.320 0.000 0.000 0.201 162 A C 2.258 179.898 177.584 0.093 0.000 1.720 162 A CA 0.830 52.940 52.037 0.122 0.000 0.956 162 A CB -1.110 17.971 19.000 0.136 0.000 1.094 162 A HN 0.060 nan 8.150 nan 0.000 0.561 163 A N 0.028 122.931 122.820 0.138 0.000 1.903 163 A HA -0.246 4.074 4.320 0.000 0.000 0.219 163 A C 2.179 179.671 177.584 -0.153 0.000 1.191 163 A CA 2.382 54.452 52.037 0.054 0.000 0.638 163 A CB -0.694 18.399 19.000 0.154 0.000 0.823 163 A HN 0.427 nan 8.150 nan 0.000 0.451 164 M N -1.362 118.182 119.600 -0.093 0.000 2.213 164 M HA -0.106 4.374 4.480 0.000 0.000 0.263 164 M C 2.076 178.301 176.300 -0.125 0.000 1.062 164 M CA 1.187 56.388 55.300 -0.165 0.000 1.105 164 M CB -1.159 31.384 32.600 -0.094 0.000 1.385 164 M HN 0.363 nan 8.290 nan 0.000 0.417 165 I N 0.751 121.297 120.570 -0.040 0.000 2.142 165 I HA -0.199 3.971 4.170 0.000 0.000 0.240 165 I C 2.688 178.804 176.117 -0.001 0.000 1.078 165 I CA 1.692 63.004 61.300 0.020 0.000 1.343 165 I CB -1.209 36.847 38.000 0.095 0.000 1.046 165 I HN 0.204 nan 8.210 nan 0.000 0.405 166 A N -0.144 122.642 122.820 -0.056 0.000 1.933 166 A HA -0.252 4.068 4.320 0.000 0.000 0.218 166 A C 2.491 179.988 177.584 -0.146 0.000 1.175 166 A CA 1.853 53.823 52.037 -0.112 0.000 0.628 166 A CB -0.734 18.186 19.000 -0.133 0.000 0.814 166 A HN 0.366 nan 8.150 nan 0.000 0.444 167 R N -0.495 119.789 120.500 -0.361 0.000 2.241 167 R HA -0.088 4.252 4.340 0.000 0.000 0.224 167 R C 1.364 177.531 176.300 -0.223 0.000 1.101 167 R CA 1.629 57.410 56.100 -0.531 0.000 0.995 167 R CB -0.011 29.771 30.300 -0.864 0.000 0.870 167 R HN 0.561 nan 8.270 nan 0.000 0.463 168 K N -2.063 118.244 120.400 -0.155 0.000 2.511 168 K HA 0.112 4.432 4.320 0.000 0.000 0.206 168 K C 1.592 178.123 176.600 -0.116 0.000 1.333 168 K CA 0.160 56.403 56.287 -0.072 0.000 0.957 168 K CB 0.632 33.149 32.500 0.029 0.000 1.172 168 K HN -0.061 nan 8.250 nan 0.000 0.547 169 V N 1.643 121.529 119.914 -0.047 0.000 2.346 169 V HA -0.104 4.016 4.120 0.000 0.000 0.244 169 V C 2.385 178.472 176.094 -0.011 0.000 1.037 169 V CA 2.303 64.627 62.300 0.040 0.000 1.029 169 V CB -0.874 31.098 31.823 0.248 0.000 0.663 169 V HN 0.452 nan 8.190 nan 0.000 0.454 170 G N 1.839 110.619 108.800 -0.035 0.000 2.631 170 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 170 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 170 G C 0.035 174.773 174.900 -0.270 0.000 1.214 170 G CA 1.514 46.605 45.100 -0.016 0.000 0.785 170 G HN 0.548 nan 8.290 nan 0.000 0.596 171 P HA -0.005 nan 4.420 nan 0.000 0.220 171 P C 1.854 178.568 177.300 -0.975 0.000 1.148 171 P CA 1.862 64.098 63.100 -1.441 0.000 0.803 171 P CB -0.091 30.370 31.700 -2.064 0.000 0.782 172 A N 0.149 122.479 122.820 -0.817 0.000 1.832 172 A HA -0.111 4.209 4.320 0.000 0.000 0.214 172 A C 2.194 179.808 177.584 0.049 0.000 1.204 172 A CA 1.315 53.169 52.037 -0.306 0.000 0.606 172 A CB -1.574 17.391 19.000 -0.058 0.000 0.849 172 A HN 0.037 nan 8.150 nan 0.000 0.445 173 L N 0.062 121.364 121.223 0.132 0.000 2.013 173 L HA -0.199 4.141 4.340 0.000 0.000 0.212 173 L C 3.026 180.211 176.870 0.525 0.000 1.073 173 L CA 2.152 57.258 54.840 0.444 0.000 0.753 173 L CB -1.061 41.254 42.059 0.426 0.000 0.890 173 L HN 0.423 nan 8.230 nan 0.000 0.432 174 A N -0.704 122.277 122.820 0.269 0.000 1.940 174 A HA -0.174 4.146 4.320 0.000 0.000 0.219 174 A C 2.403 180.073 177.584 0.143 0.000 1.176 174 A CA 1.779 53.923 52.037 0.177 0.000 0.631 174 A CB -0.954 18.143 19.000 0.161 0.000 0.814 174 A HN 0.402 nan 8.150 nan 0.000 0.446 175 A N -1.673 121.241 122.820 0.157 0.000 2.172 175 A HA 0.351 4.671 4.320 0.000 0.000 0.216 175 A C 1.737 179.460 177.584 0.230 0.000 1.154 175 A CA 1.420 53.566 52.037 0.182 0.000 0.701 175 A CB -1.035 18.092 19.000 0.212 0.000 0.789 175 A HN 2.064 nan 8.150 nan 0.000 0.465 176 G N -2.326 106.650 108.800 0.295 0.000 2.270 176 G HA2 -0.137 3.823 3.960 0.000 0.000 0.224 176 G HA3 -0.137 3.823 3.960 0.000 0.000 0.224 176 G C -0.254 175.079 174.900 0.722 0.000 1.079 176 G CA -0.196 45.125 45.100 0.368 0.000 0.807 176 G HN 0.709 nan 8.290 nan 0.000 0.492 177 C N 1.168 120.865 119.300 0.661 0.000 2.547 177 C HA 0.807 5.267 4.460 0.000 0.000 0.313 177 C C -1.910 173.157 174.990 0.128 0.000 1.191 177 C CA -1.309 57.926 59.018 0.361 0.000 1.474 177 C CB 2.403 30.269 27.740 0.210 0.000 2.081 177 C HN 0.455 nan 8.230 nan 0.000 0.476 178 P HA 0.626 nan 4.420 nan 0.000 0.279 178 P C -1.104 176.127 177.300 -0.115 0.000 1.252 178 P CA -0.270 62.731 63.100 -0.166 0.000 0.811 178 P CB 1.544 33.160 31.700 -0.140 0.000 1.035 179 I N 0.428 120.934 120.570 -0.105 0.000 2.752 179 I HA 0.332 4.502 4.170 0.000 0.000 0.295 179 I C -1.444 174.643 176.117 -0.049 0.000 1.219 179 I CA -1.088 60.182 61.300 -0.050 0.000 1.030 179 I CB 2.274 40.276 38.000 0.004 0.000 1.259 179 I HN -0.021 nan 8.210 nan 0.000 0.423 180 V N 6.966 126.862 119.914 -0.032 0.000 2.581 180 V HA 0.621 4.741 4.120 0.000 0.000 0.303 180 V C -0.654 175.442 176.094 0.003 0.000 1.041 180 V CA -0.607 61.680 62.300 -0.021 0.000 0.907 180 V CB 1.869 33.675 31.823 -0.029 0.000 0.994 180 V HN 0.447 nan 8.190 nan 0.000 0.442 181 V N 3.882 123.803 119.914 0.012 0.000 2.623 181 V HA 0.437 4.557 4.120 0.000 0.000 0.304 181 V C -0.249 175.866 176.094 0.035 0.000 1.054 181 V CA -0.920 61.397 62.300 0.029 0.000 0.882 181 V CB 2.039 33.882 31.823 0.033 0.000 1.002 181 V HN 0.801 nan 8.190 nan 0.000 0.424 182 K N 7.418 127.846 120.400 0.046 0.000 2.268 182 K HA 0.415 4.735 4.320 0.000 0.000 0.276 182 K C -2.515 174.122 176.600 0.062 0.000 1.080 182 K CA -1.788 54.531 56.287 0.055 0.000 0.910 182 K CB 1.770 34.306 32.500 0.060 0.000 1.163 182 K HN 0.361 nan 8.250 nan 0.000 0.465 183 P HA 0.019 nan 4.420 nan 0.000 0.274 183 P C -0.735 176.606 177.300 0.068 0.000 1.260 183 P CA -0.401 62.735 63.100 0.059 0.000 0.793 183 P CB 0.416 32.148 31.700 0.054 0.000 1.048 184 A N 0.117 122.983 122.820 0.078 0.000 2.484 184 A HA 0.354 4.674 4.320 0.000 0.000 0.268 184 A C 1.510 179.120 177.584 0.044 0.000 1.114 184 A CA 0.301 52.396 52.037 0.095 0.000 0.780 184 A CB -1.125 17.982 19.000 0.178 0.000 1.061 184 A HN 0.598 nan 8.150 nan 0.000 0.505 185 E N 1.709 121.902 120.200 -0.012 0.000 2.533 185 E HA 0.004 4.354 4.350 0.000 0.000 0.203 185 E C 1.338 177.828 176.600 -0.185 0.000 1.101 185 E CA 1.548 57.877 56.400 -0.117 0.000 0.894 185 E CB -0.523 28.991 29.700 -0.309 0.000 0.843 185 E HN 0.749 nan 8.360 nan 0.000 0.552 186 S N -0.606 115.038 115.700 -0.093 0.000 2.514 186 S HA 0.090 4.560 4.470 0.000 0.000 0.223 186 S C 1.132 175.703 174.600 -0.049 0.000 1.046 186 S CA 0.583 58.714 58.200 -0.116 0.000 0.914 186 S CB 0.835 63.931 63.200 -0.173 0.000 0.807 186 S HN 0.691 nan 8.310 nan 0.000 0.497 187 T N 0.561 115.118 114.554 0.005 0.000 3.133 187 T HA 0.402 4.752 4.350 0.000 0.000 0.368 187 T C -2.620 172.065 174.700 -0.025 0.000 1.190 187 T CA -1.444 60.660 62.100 0.007 0.000 1.282 187 T CB 2.012 70.928 68.868 0.081 0.000 1.042 187 T HN -0.074 nan 8.240 nan 0.000 0.536 188 P HA 0.175 nan 4.420 nan 0.000 0.220 188 P C 1.178 178.400 177.300 -0.131 0.000 1.154 188 P CA 0.187 63.173 63.100 -0.189 0.000 0.837 188 P CB -0.009 31.484 31.700 -0.346 0.000 0.815 189 F N 1.280 121.250 119.950 0.032 0.000 2.134 189 F HA -0.117 4.410 4.527 0.000 0.000 0.299 189 F C 2.519 178.347 175.800 0.048 0.000 1.097 189 F CA 1.359 59.364 58.000 0.009 0.000 1.264 189 F CB -1.904 37.064 39.000 -0.054 0.000 1.001 189 F HN -0.118 nan 8.300 nan 0.000 0.479 190 S N -0.098 115.738 115.700 0.226 0.000 2.402 190 S HA -0.205 4.265 4.470 0.000 0.000 0.233 190 S C 2.167 176.862 174.600 0.158 0.000 1.030 190 S CA 1.204 59.506 58.200 0.171 0.000 1.003 190 S CB -0.637 62.645 63.200 0.137 0.000 0.813 190 S HN 0.398 nan 8.310 nan 0.000 0.477 191 A N -0.176 122.725 122.820 0.135 0.000 2.195 191 A HA 0.402 4.722 4.320 0.000 0.000 0.210 191 A C 1.772 179.429 177.584 0.123 0.000 1.165 191 A CA 0.201 52.310 52.037 0.120 0.000 0.806 191 A CB -0.109 18.943 19.000 0.086 0.000 0.847 191 A HN 0.439 nan 8.150 nan 0.000 0.482 192 L N -1.652 119.670 121.223 0.164 0.000 2.470 192 L HA 0.173 4.513 4.340 0.000 0.000 0.219 192 L C 2.626 179.685 176.870 0.315 0.000 1.071 192 L CA 0.763 55.732 54.840 0.216 0.000 0.850 192 L CB -0.058 42.174 42.059 0.288 0.000 1.040 192 L HN 0.305 nan 8.230 nan 0.000 0.475 193 A N -0.347 122.637 122.820 0.273 0.000 2.121 193 A HA -0.086 4.234 4.320 0.000 0.000 0.218 193 A C 2.198 179.962 177.584 0.301 0.000 1.154 193 A CA 1.210 53.416 52.037 0.282 0.000 0.679 193 A CB -0.214 18.908 19.000 0.203 0.000 0.795 193 A HN 0.319 nan 8.150 nan 0.000 0.458 194 M N -1.741 118.007 119.600 0.247 0.000 2.567 194 M HA 0.119 4.599 4.480 0.000 0.000 0.261 194 M C 2.381 178.744 176.300 0.105 0.000 1.180 194 M CA 0.958 56.425 55.300 0.278 0.000 1.143 194 M CB -0.261 32.540 32.600 0.335 0.000 1.319 194 M HN 0.419 nan 8.290 nan 0.000 0.490 195 A N 0.379 123.181 122.820 -0.030 0.000 2.019 195 A HA -0.173 4.147 4.320 0.000 0.000 0.219 195 A C 1.884 179.173 177.584 -0.492 0.000 1.164 195 A CA 1.236 53.037 52.037 -0.394 0.000 0.644 195 A CB -0.719 17.985 19.000 -0.492 0.000 0.805 195 A HN 0.435 nan 8.150 nan 0.000 0.449 196 F N 0.575 120.418 119.950 -0.179 0.000 2.053 196 F HA -0.046 4.481 4.527 0.000 0.000 0.292 196 F C 1.934 177.712 175.800 -0.037 0.000 1.125 196 F CA 1.362 59.421 58.000 0.098 0.000 1.193 196 F CB -0.686 38.523 39.000 0.347 0.000 0.996 196 F HN 0.117 nan 8.300 nan 0.000 0.470 197 L N 0.079 121.244 121.223 -0.096 0.000 2.089 197 L HA -0.299 4.041 4.340 0.000 0.000 0.213 197 L C 2.674 179.335 176.870 -0.348 0.000 1.079 197 L CA 1.318 56.053 54.840 -0.175 0.000 0.758 197 L CB -1.301 40.842 42.059 0.140 0.000 0.891 197 L HN 0.328 nan 8.230 nan 0.000 0.433 198 A N -0.161 122.247 122.820 -0.688 0.000 1.841 198 A HA -0.259 4.061 4.320 0.000 0.000 0.214 198 A C 2.267 179.507 177.584 -0.573 0.000 1.195 198 A CA 1.684 53.035 52.037 -1.142 0.000 0.611 198 A CB -0.672 17.333 19.000 -1.658 0.000 0.835 198 A HN 0.478 nan 8.150 nan 0.000 0.443 199 E N -0.112 119.816 120.200 -0.453 0.000 2.108 199 E HA -0.324 4.026 4.350 0.000 0.000 0.203 199 E C 2.240 178.757 176.600 -0.140 0.000 1.022 199 E CA 1.830 58.111 56.400 -0.198 0.000 0.823 199 E CB -0.284 29.402 29.700 -0.023 0.000 0.744 199 E HN 0.566 nan 8.360 nan 0.000 0.456 200 R N -0.304 120.055 120.500 -0.234 0.000 2.120 200 R HA -0.108 4.232 4.340 0.000 0.000 0.234 200 R C 2.218 178.455 176.300 -0.104 0.000 1.123 200 R CA 1.148 57.131 56.100 -0.194 0.000 0.975 200 R CB -0.188 29.905 30.300 -0.345 0.000 0.866 200 R HN 0.259 nan 8.270 nan 0.000 0.446 201 A N -0.902 121.852 122.820 -0.109 0.000 2.016 201 A HA 0.124 4.444 4.320 0.000 0.000 0.217 201 A C 1.395 178.997 177.584 0.029 0.000 1.162 201 A CA 1.317 53.349 52.037 -0.009 0.000 0.662 201 A CB 0.149 19.181 19.000 0.054 0.000 0.812 201 A HN 0.522 nan 8.150 nan 0.000 0.450 202 G N -2.116 106.686 108.800 0.002 0.000 2.456 202 G HA2 0.016 3.976 3.960 0.000 0.000 0.208 202 G HA3 0.016 3.976 3.960 0.000 0.000 0.208 202 G C -0.117 174.826 174.900 0.071 0.000 1.004 202 G CA -0.110 45.024 45.100 0.056 0.000 0.791 202 G HN 0.545 nan 8.290 nan 0.000 0.537 203 V N 2.597 122.493 119.914 -0.030 0.000 2.421 203 V HA 0.258 4.378 4.120 0.000 0.000 0.271 203 V C -1.088 174.961 176.094 -0.075 0.000 1.031 203 V CA -0.781 61.453 62.300 -0.110 0.000 1.032 203 V CB 0.466 32.119 31.823 -0.284 0.000 1.009 203 V HN 0.177 nan 8.190 nan 0.000 0.477 204 P HA 0.174 nan 4.420 nan 0.000 0.269 204 P C 0.126 177.394 177.300 -0.054 0.000 1.211 204 P CA -0.029 63.075 63.100 0.008 0.000 0.781 204 P CB 0.345 32.107 31.700 0.104 0.000 0.877 205 K N 1.584 121.970 120.400 -0.023 0.000 2.419 205 K HA 0.456 4.776 4.320 0.000 0.000 0.282 205 K C 0.972 177.531 176.600 -0.067 0.000 1.056 205 K CA 0.409 56.665 56.287 -0.052 0.000 1.035 205 K CB -1.137 31.341 32.500 -0.036 0.000 0.921 205 K HN 0.952 nan 8.250 nan 0.000 0.472 206 G N -0.193 108.545 108.800 -0.104 0.000 2.516 206 G HA2 0.002 3.962 3.960 0.000 0.000 0.220 206 G HA3 0.002 3.962 3.960 0.000 0.000 0.220 206 G C 0.935 175.742 174.900 -0.155 0.000 1.165 206 G CA 0.836 45.872 45.100 -0.108 0.000 1.013 206 G HN 1.831 nan 8.290 nan 0.000 0.590 207 V N -1.343 118.448 119.914 -0.205 0.000 0.572 207 V HA -0.326 3.794 4.120 0.000 0.000 0.092 207 V C 1.043 176.972 176.094 -0.275 0.000 1.935 207 V CA 3.373 65.450 62.300 -0.372 0.000 3.442 207 V CB -1.600 29.820 31.823 -0.671 0.000 0.733 207 V HN 2.284 nan 8.190 nan 0.000 0.760 208 L N 0.151 121.249 121.223 -0.207 0.000 2.341 208 L HA 0.805 5.145 4.340 0.000 0.000 0.278 208 L C -0.387 176.470 176.870 -0.022 0.000 1.005 208 L CA 0.456 55.214 54.840 -0.136 0.000 0.818 208 L CB 2.124 44.048 42.059 -0.225 0.000 1.259 208 L HN 0.259 nan 8.230 nan 0.000 0.418 209 S N 3.312 119.002 115.700 -0.016 0.000 2.668 209 S HA 0.533 5.003 4.470 0.000 0.000 0.277 209 S C -1.204 173.405 174.600 0.016 0.000 1.170 209 S CA -0.485 57.731 58.200 0.028 0.000 0.994 209 S CB 1.766 64.951 63.200 -0.026 0.000 1.051 209 S HN 0.407 nan 8.310 nan 0.000 0.484 210 V N 4.931 124.863 119.914 0.031 0.000 2.270 210 V HA 0.298 4.418 4.120 0.000 0.000 0.263 210 V C 0.193 176.302 176.094 0.025 0.000 1.066 210 V CA -0.604 61.707 62.300 0.018 0.000 0.857 210 V CB 0.789 32.614 31.823 0.003 0.000 1.099 210 V HN 0.704 nan 8.190 nan 0.000 0.476 211 V N 5.013 124.940 119.914 0.021 0.000 2.432 211 V HA 0.634 4.754 4.120 0.000 0.000 0.275 211 V C -0.087 176.033 176.094 0.043 0.000 1.043 211 V CA -0.194 62.118 62.300 0.021 0.000 0.925 211 V CB 1.125 32.954 31.823 0.009 0.000 0.985 211 V HN 0.554 nan 8.190 nan 0.000 0.466 212 I N 4.691 125.294 120.570 0.055 0.000 2.947 212 I HA 0.951 5.121 4.170 0.000 0.000 0.314 212 I C 1.023 177.219 176.117 0.132 0.000 1.028 212 I CA 0.043 61.402 61.300 0.098 0.000 1.077 212 I CB 1.807 39.853 38.000 0.077 0.000 1.274 212 I HN 1.088 nan 8.210 nan 0.000 0.485 213 G N 2.399 111.344 108.800 0.243 0.000 2.253 213 G HA2 -0.140 3.820 3.960 0.000 0.000 0.190 213 G HA3 -0.140 3.820 3.960 0.000 0.000 0.190 213 G C -1.297 173.664 174.900 0.101 0.000 1.274 213 G CA -0.614 44.631 45.100 0.242 0.000 1.275 213 G HN 0.539 nan 8.290 nan 0.000 0.518 214 D N 2.059 122.487 120.400 0.048 0.000 2.316 214 D HA 0.484 5.124 4.640 0.000 0.000 0.245 214 D C -1.211 175.079 176.300 -0.016 0.000 1.171 214 D CA -1.516 52.478 54.000 -0.009 0.000 0.856 214 D CB 1.841 42.641 40.800 -0.001 0.000 1.090 214 D HN -0.066 nan 8.370 nan 0.000 0.476 215 P HA -0.148 nan 4.420 nan 0.000 0.219 215 P C 0.973 178.260 177.300 -0.021 0.000 1.146 215 P CA 1.611 64.699 63.100 -0.021 0.000 0.808 215 P CB 0.390 32.070 31.700 -0.034 0.000 0.779 216 K N -0.661 119.722 120.400 -0.029 0.000 2.168 216 K HA 0.311 4.631 4.320 0.000 0.000 0.201 216 K C 2.164 178.750 176.600 -0.023 0.000 1.049 216 K CA 1.128 57.397 56.287 -0.030 0.000 0.974 216 K CB -1.342 31.138 32.500 -0.032 0.000 0.792 216 K HN 0.114 nan 8.250 nan 0.000 0.463 217 A N 1.305 124.116 122.820 -0.016 0.000 1.841 217 A HA 0.060 4.380 4.320 0.000 0.000 0.214 217 A C 2.418 179.998 177.584 -0.006 0.000 1.195 217 A CA 1.549 53.581 52.037 -0.009 0.000 0.611 217 A CB -0.430 18.569 19.000 -0.002 0.000 0.835 217 A HN 0.433 nan 8.150 nan 0.000 0.443 218 I N -0.012 120.558 120.570 0.000 0.000 2.118 218 I HA -0.259 3.911 4.170 0.000 0.000 0.241 218 I C 2.732 178.848 176.117 -0.002 0.000 1.070 218 I CA 1.368 62.671 61.300 0.004 0.000 1.327 218 I CB -0.871 37.139 38.000 0.017 0.000 1.034 218 I HN 0.403 nan 8.210 nan 0.000 0.405 219 G N 0.156 108.953 108.800 -0.005 0.000 2.442 219 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 219 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 219 G C 1.642 176.526 174.900 -0.027 0.000 1.141 219 G CA 1.538 46.629 45.100 -0.016 0.000 0.763 219 G HN 0.326 nan 8.290 nan 0.000 0.554 220 T N 0.591 115.130 114.554 -0.026 0.000 2.674 220 T HA -0.093 4.257 4.350 0.000 0.000 0.265 220 T C 2.172 176.859 174.700 -0.023 0.000 1.039 220 T CA 1.621 63.705 62.100 -0.027 0.000 1.150 220 T CB -0.209 68.645 68.868 -0.024 0.000 0.864 220 T HN 0.435 nan 8.240 nan 0.000 0.427 221 E N 1.042 121.232 120.200 -0.018 0.000 2.070 221 E HA -0.140 4.210 4.350 0.000 0.000 0.197 221 E C 1.984 178.572 176.600 -0.020 0.000 1.004 221 E CA 1.314 57.704 56.400 -0.017 0.000 0.805 221 E CB -0.557 29.135 29.700 -0.013 0.000 0.744 221 E HN 0.547 nan 8.360 nan 0.000 0.451 222 I N 0.367 120.926 120.570 -0.019 0.000 2.099 222 I HA -0.299 3.871 4.170 0.000 0.000 0.239 222 I C 2.425 178.526 176.117 -0.027 0.000 1.066 222 I CA 1.888 63.176 61.300 -0.021 0.000 1.324 222 I CB -0.896 37.096 38.000 -0.012 0.000 1.037 222 I HN 0.300 nan 8.210 nan 0.000 0.401 223 T N -2.174 112.363 114.554 -0.029 0.000 3.025 223 T HA -0.072 4.278 4.350 0.000 0.000 0.270 223 T C 1.346 176.027 174.700 -0.032 0.000 1.126 223 T CA 1.186 63.265 62.100 -0.035 0.000 1.105 223 T CB -0.383 68.459 68.868 -0.044 0.000 0.884 223 T HN 0.488 nan 8.240 nan 0.000 0.522 224 S N -0.823 114.860 115.700 -0.028 0.000 2.733 224 S HA 0.241 4.711 4.470 0.000 0.000 0.247 224 S C 0.234 174.821 174.600 -0.022 0.000 1.043 224 S CA -0.778 57.407 58.200 -0.024 0.000 1.066 224 S CB -0.244 62.943 63.200 -0.022 0.000 1.045 224 S HN 0.384 nan 8.310 nan 0.000 0.586 225 N N 3.100 121.785 118.700 -0.025 0.000 2.458 225 N HA 0.270 5.010 4.740 0.000 0.000 0.270 225 N C -2.176 173.318 175.510 -0.027 0.000 1.102 225 N CA -1.406 51.630 53.050 -0.024 0.000 0.967 225 N CB 1.585 40.056 38.487 -0.027 0.000 1.078 225 N HN 0.008 nan 8.380 nan 0.000 0.471 226 P HA 0.012 nan 4.420 nan 0.000 0.226 226 P C 1.151 178.436 177.300 -0.025 0.000 1.153 226 P CA 0.788 63.877 63.100 -0.019 0.000 0.777 226 P CB 0.371 32.066 31.700 -0.010 0.000 0.794 227 I N -1.575 118.976 120.570 -0.032 0.000 2.277 227 I HA -0.093 4.077 4.170 0.000 0.000 0.243 227 I C 0.738 176.806 176.117 -0.082 0.000 1.094 227 I CA 0.562 61.833 61.300 -0.048 0.000 1.393 227 I CB -0.631 37.343 38.000 -0.043 0.000 1.078 227 I HN -0.318 nan 8.210 nan 0.000 0.417 228 V N 3.156 123.025 119.914 -0.075 0.000 2.420 228 V HA -0.051 4.069 4.120 0.000 0.000 0.274 228 V C 1.319 177.361 176.094 -0.086 0.000 1.003 228 V CA 0.809 63.057 62.300 -0.087 0.000 1.092 228 V CB -0.018 31.767 31.823 -0.064 0.000 1.002 228 V HN 0.320 nan 8.190 nan 0.000 0.473 229 R N 3.003 123.435 120.500 -0.114 0.000 2.282 229 R HA 0.182 4.522 4.340 0.000 0.000 0.195 229 R C 0.662 176.905 176.300 -0.096 0.000 0.909 229 R CA 0.102 56.143 56.100 -0.098 0.000 1.039 229 R CB 0.515 30.749 30.300 -0.109 0.000 1.015 229 R HN 0.663 nan 8.270 nan 0.000 0.513 230 K N 0.606 120.939 120.400 -0.113 0.000 2.422 230 K HA 0.357 4.677 4.320 0.000 0.000 0.251 230 K C -1.798 174.735 176.600 -0.112 0.000 0.933 230 K CA -0.724 55.482 56.287 -0.135 0.000 0.798 230 K CB 1.734 34.103 32.500 -0.218 0.000 1.238 230 K HN -0.161 nan 8.250 nan 0.000 0.428 231 L N 1.920 123.083 121.223 -0.101 0.000 2.386 231 L HA 0.556 4.896 4.340 0.000 0.000 0.271 231 L C -1.378 175.469 176.870 -0.039 0.000 0.993 231 L CA -0.031 54.780 54.840 -0.049 0.000 0.819 231 L CB 2.367 44.412 42.059 -0.023 0.000 1.294 231 L HN 0.733 nan 8.230 nan 0.000 0.414 232 S N 3.868 119.577 115.700 0.014 0.000 2.756 232 S HA 0.585 5.055 4.470 0.000 0.000 0.303 232 S C -1.348 173.330 174.600 0.129 0.000 1.135 232 S CA -0.400 57.830 58.200 0.049 0.000 1.066 232 S CB 0.320 63.539 63.200 0.032 0.000 1.008 232 S HN 0.415 nan 8.310 nan 0.000 0.482 233 F N 3.889 123.838 119.950 -0.002 0.000 2.480 233 F HA 0.751 5.278 4.527 0.000 0.000 0.329 233 F C -0.327 175.483 175.800 0.016 0.000 1.091 233 F CA -0.161 57.844 58.000 0.008 0.000 0.972 233 F CB 2.013 41.019 39.000 0.009 0.000 1.150 233 F HN 0.407 nan 8.300 nan 0.000 0.467 234 T N 4.205 118.188 114.554 -0.952 0.000 2.879 234 T HA 0.773 5.123 4.350 0.000 0.000 0.290 234 T C -0.140 173.807 174.700 -1.255 0.000 0.993 234 T CA -0.150 61.450 62.100 -0.834 0.000 0.975 234 T CB 1.237 69.879 68.868 -0.377 0.000 0.981 234 T HN 1.136 nan 8.240 nan 0.000 0.439 235 G N 2.148 110.468 108.800 -0.800 0.000 2.553 235 G HA2 0.367 4.327 3.960 0.000 0.000 0.106 235 G HA3 0.367 4.327 3.960 0.000 0.000 0.106 235 G C -0.822 174.141 174.900 0.105 0.000 1.126 235 G CA -0.177 44.729 45.100 -0.324 0.000 1.075 235 G HN 1.054 nan 8.290 nan 0.000 0.472 236 S N 0.082 115.982 115.700 0.334 0.000 2.585 236 S HA 0.563 5.033 4.470 0.000 0.000 0.277 236 S C 1.328 176.123 174.600 0.326 0.000 1.241 236 S CA 0.820 59.181 58.200 0.267 0.000 1.041 236 S CB 1.544 64.845 63.200 0.168 0.000 0.987 236 S HN 0.933 nan 8.310 nan 0.000 0.512 237 T N 2.759 117.467 114.554 0.257 0.000 2.607 237 T HA -0.207 4.143 4.350 0.000 0.000 0.267 237 T C 2.223 177.010 174.700 0.145 0.000 1.049 237 T CA 1.862 64.109 62.100 0.244 0.000 1.162 237 T CB -1.141 67.924 68.868 0.328 0.000 0.863 237 T HN 0.922 nan 8.240 nan 0.000 0.424 238 A N 0.969 123.861 122.820 0.121 0.000 1.927 238 A HA -0.144 4.176 4.320 0.000 0.000 0.220 238 A C 2.635 180.208 177.584 -0.019 0.000 1.185 238 A CA 2.043 54.111 52.037 0.052 0.000 0.639 238 A CB -1.235 17.798 19.000 0.055 0.000 0.820 238 A HN 0.399 nan 8.150 nan 0.000 0.451 239 V N -0.510 119.377 119.914 -0.044 0.000 2.379 239 V HA -0.116 4.004 4.120 0.000 0.000 0.245 239 V C 2.782 178.621 176.094 -0.425 0.000 1.044 239 V CA 1.841 64.006 62.300 -0.225 0.000 1.036 239 V CB -1.406 30.278 31.823 -0.232 0.000 0.664 239 V HN 0.618 nan 8.190 nan 0.000 0.453 240 G N 0.147 108.733 108.800 -0.357 0.000 2.402 240 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 240 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 240 G C 1.735 176.561 174.900 -0.123 0.000 1.162 240 G CA 0.537 45.469 45.100 -0.280 0.000 0.777 240 G HN 0.454 nan 8.290 nan 0.000 0.539 241 R N -0.317 120.150 120.500 -0.055 0.000 2.096 241 R HA 0.134 4.474 4.340 0.000 0.000 0.235 241 R C 2.491 178.755 176.300 -0.060 0.000 1.127 241 R CA 0.738 56.818 56.100 -0.033 0.000 0.968 241 R CB -0.473 29.824 30.300 -0.005 0.000 0.861 241 R HN 0.306 nan 8.270 nan 0.000 0.440 242 L N 0.665 121.835 121.223 -0.089 0.000 2.109 242 L HA -0.094 4.246 4.340 0.000 0.000 0.207 242 L C 2.055 178.857 176.870 -0.113 0.000 1.086 242 L CA 1.000 55.785 54.840 -0.092 0.000 0.760 242 L CB -0.008 41.993 42.059 -0.098 0.000 0.910 242 L HN 0.226 nan 8.230 nan 0.000 0.437 243 L N -1.145 119.976 121.223 -0.171 0.000 2.156 243 L HA -0.226 4.114 4.340 0.000 0.000 0.208 243 L C 2.503 179.314 176.870 -0.099 0.000 1.095 243 L CA 1.012 55.752 54.840 -0.166 0.000 0.770 243 L CB -0.263 41.633 42.059 -0.272 0.000 0.914 243 L HN 0.381 nan 8.230 nan 0.000 0.439 244 M N -0.273 119.280 119.600 -0.079 0.000 2.132 244 M HA -0.169 4.311 4.480 0.000 0.000 0.263 244 M C 2.375 178.650 176.300 -0.042 0.000 1.065 244 M CA 1.900 57.172 55.300 -0.046 0.000 1.122 244 M CB -0.051 32.531 32.600 -0.030 0.000 1.365 244 M HN 0.224 nan 8.290 nan 0.000 0.411 245 A N 0.121 122.914 122.820 -0.045 0.000 1.858 245 A HA -0.245 4.075 4.320 0.000 0.000 0.216 245 A C 1.942 179.503 177.584 -0.039 0.000 1.190 245 A CA 1.976 53.991 52.037 -0.038 0.000 0.617 245 A CB -0.988 17.990 19.000 -0.037 0.000 0.827 245 A HN 0.692 nan 8.150 nan 0.000 0.443 246 Q N -0.292 119.479 119.800 -0.048 0.000 2.152 246 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 246 Q C 2.231 178.207 176.000 -0.040 0.000 0.985 246 Q CA 1.864 57.639 55.803 -0.045 0.000 0.863 246 Q CB -0.203 28.501 28.738 -0.057 0.000 0.904 246 Q HN 0.637 nan 8.270 nan 0.000 0.422 247 S N 0.105 115.780 115.700 -0.042 0.000 2.527 247 S HA 0.065 4.535 4.470 0.000 0.000 0.222 247 S C 1.848 176.430 174.600 -0.030 0.000 0.985 247 S CA 0.423 58.601 58.200 -0.037 0.000 0.921 247 S CB 0.071 63.247 63.200 -0.039 0.000 0.772 247 S HN 0.442 nan 8.310 nan 0.000 0.529 248 A N 2.810 125.613 122.820 -0.028 0.000 1.917 248 A HA -0.070 4.250 4.320 0.000 0.000 0.219 248 A C -0.154 177.419 177.584 -0.019 0.000 1.182 248 A CA 1.428 53.452 52.037 -0.022 0.000 0.633 248 A CB -1.868 17.119 19.000 -0.021 0.000 0.819 248 A HN 0.380 nan 8.150 nan 0.000 0.448 249 P HA -0.050 nan 4.420 nan 0.000 0.228 249 P C 0.695 177.986 177.300 -0.014 0.000 1.151 249 P CA 1.674 64.765 63.100 -0.015 0.000 0.770 249 P CB -0.100 31.591 31.700 -0.016 0.000 0.786 250 T N -4.676 109.867 114.554 -0.017 0.000 3.132 250 T HA 0.187 4.537 4.350 0.000 0.000 0.274 250 T C 0.483 175.172 174.700 -0.017 0.000 1.011 250 T CA -0.334 61.755 62.100 -0.017 0.000 0.899 250 T CB -0.563 68.292 68.868 -0.022 0.000 1.089 250 T HN -0.173 nan 8.240 nan 0.000 0.543 251 V N 0.879 120.783 119.914 -0.016 0.000 5.479 251 V HA -0.250 3.870 4.120 0.000 0.000 0.289 251 V C 0.314 176.396 176.094 -0.020 0.000 0.595 251 V CA 0.604 62.895 62.300 -0.014 0.000 0.649 251 V CB -2.151 29.668 31.823 -0.008 0.000 0.390 251 V HN 0.663 nan 8.190 nan 0.000 0.974 252 K N 0.621 121.005 120.400 -0.027 0.000 2.378 252 K HA 0.275 4.595 4.320 0.000 0.000 0.288 252 K C 0.429 177.006 176.600 -0.039 0.000 1.057 252 K CA -0.532 55.733 56.287 -0.037 0.000 0.971 252 K CB 0.611 33.086 32.500 -0.041 0.000 0.975 252 K HN 0.339 nan 8.250 nan 0.000 0.475 253 K N 3.255 123.627 120.400 -0.046 0.000 2.447 253 K HA 0.035 4.355 4.320 0.000 0.000 0.281 253 K C -0.936 175.622 176.600 -0.070 0.000 1.031 253 K CA 0.082 56.339 56.287 -0.050 0.000 1.019 253 K CB 0.165 32.634 32.500 -0.051 0.000 0.918 253 K HN 0.314 nan 8.250 nan 0.000 0.476 254 L N 3.671 124.862 121.223 -0.054 0.000 2.365 254 L HA 0.490 4.830 4.340 0.000 0.000 0.273 254 L C -0.880 175.968 176.870 -0.038 0.000 1.000 254 L CA 0.039 54.852 54.840 -0.044 0.000 0.819 254 L CB 2.444 44.490 42.059 -0.020 0.000 1.284 254 L HN 0.684 nan 8.230 nan 0.000 0.418 255 T N 5.218 119.750 114.554 -0.036 0.000 2.841 255 T HA 0.693 5.043 4.350 0.000 0.000 0.285 255 T C -0.869 173.860 174.700 0.049 0.000 0.991 255 T CA -0.291 61.805 62.100 -0.007 0.000 0.966 255 T CB 0.874 69.715 68.868 -0.045 0.000 0.962 255 T HN 0.307 nan 8.240 nan 0.000 0.438 256 L N 3.267 124.534 121.223 0.074 0.000 2.406 256 L HA 0.449 4.789 4.340 0.000 0.000 0.270 256 L C 0.047 176.986 176.870 0.116 0.000 0.982 256 L CA -0.623 54.294 54.840 0.127 0.000 0.843 256 L CB 1.802 43.939 42.059 0.130 0.000 1.225 256 L HN 0.498 nan 8.230 nan 0.000 0.412 257 E N 5.537 125.795 120.200 0.096 0.000 2.373 257 E HA 0.352 4.702 4.350 0.000 0.000 0.233 257 E C -0.323 176.308 176.600 0.052 0.000 1.035 257 E CA -0.209 56.237 56.400 0.077 0.000 0.930 257 E CB 1.131 30.862 29.700 0.051 0.000 1.278 257 E HN 0.515 nan 8.360 nan 0.000 0.452 258 L N -0.325 120.969 121.223 0.119 0.000 2.855 258 L HA 0.451 4.791 4.340 0.000 0.000 0.204 258 L C 1.331 178.262 176.870 0.100 0.000 1.206 258 L CA -0.840 54.092 54.840 0.153 0.000 0.942 258 L CB -0.038 42.155 42.059 0.223 0.000 1.832 258 L HN 0.259 nan 8.230 nan 0.000 0.522 259 G N -1.647 107.207 108.800 0.090 0.000 2.599 259 G HA2 0.495 4.455 3.960 0.000 0.000 0.264 259 G HA3 0.495 4.455 3.960 0.000 0.000 0.264 259 G C -0.326 174.499 174.900 -0.126 0.000 1.200 259 G CA 0.199 45.272 45.100 -0.045 0.000 0.896 259 G HN 0.773 nan 8.290 nan 0.000 0.536 260 G N -1.358 107.302 108.800 -0.234 0.000 3.176 260 G HA2 0.443 4.403 3.960 0.000 0.000 0.272 260 G HA3 0.443 4.403 3.960 0.000 0.000 0.272 260 G C -0.701 174.073 174.900 -0.209 0.000 1.349 260 G CA -0.478 44.549 45.100 -0.120 0.000 0.953 260 G HN 0.635 nan 8.290 nan 0.000 0.559 261 N N -0.720 118.032 118.700 0.086 0.000 2.604 261 N HA 0.328 5.068 4.740 0.000 0.000 0.284 261 N C 0.078 175.667 175.510 0.132 0.000 1.716 261 N CA -0.091 53.038 53.050 0.132 0.000 0.859 261 N CB 0.600 39.295 38.487 0.348 0.000 1.403 261 N HN 0.733 nan 8.380 nan 0.000 0.501 262 A N 1.904 124.728 122.820 0.006 0.000 2.553 262 A HA 0.264 4.584 4.320 0.000 0.000 0.258 262 A C -2.192 175.324 177.584 -0.115 0.000 1.069 262 A CA -0.292 51.659 52.037 -0.144 0.000 0.767 262 A CB -0.309 18.631 19.000 -0.100 0.000 0.997 262 A HN 0.285 nan 8.150 nan 0.000 0.512 263 P HA 0.307 nan 4.420 nan 0.000 0.293 263 P C -0.998 176.312 177.300 0.016 0.000 1.300 263 P CA -0.171 62.902 63.100 -0.046 0.000 0.792 263 P CB 0.717 32.320 31.700 -0.161 0.000 0.925 264 F N 4.809 124.732 119.950 -0.045 0.000 2.361 264 F HA 0.448 4.975 4.527 0.000 0.000 0.364 264 F C -0.159 175.742 175.800 0.169 0.000 1.120 264 F CA -0.781 57.236 58.000 0.029 0.000 1.102 264 F CB 0.434 39.238 39.000 -0.326 0.000 1.183 264 F HN 0.139 nan 8.300 nan 0.000 0.476 265 I N 7.235 127.823 120.570 0.030 0.000 2.307 265 I HA 0.282 4.452 4.170 0.000 0.000 0.289 265 I C -0.905 175.275 176.117 0.105 0.000 1.021 265 I CA -0.781 60.561 61.300 0.070 0.000 1.224 265 I CB 1.216 39.164 38.000 -0.086 0.000 1.376 265 I HN 0.181 nan 8.210 nan 0.000 0.470 266 V N 6.951 126.954 119.914 0.148 0.000 2.370 266 V HA 0.381 4.501 4.120 0.000 0.000 0.283 266 V C -0.153 176.011 176.094 0.117 0.000 1.023 266 V CA -0.487 61.858 62.300 0.074 0.000 0.857 266 V CB 1.006 32.639 31.823 -0.316 0.000 0.985 266 V HN 0.374 nan 8.190 nan 0.000 0.443 267 F N 2.048 122.109 119.950 0.184 0.000 2.408 267 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 267 F C 1.613 177.414 175.800 0.002 0.000 1.082 267 F CA -0.178 57.923 58.000 0.169 0.000 1.032 267 F CB 1.202 40.280 39.000 0.130 0.000 1.259 267 F HN 0.677 nan 8.300 nan 0.000 0.503 268 D N 0.718 121.133 120.400 0.024 0.000 2.248 268 D HA -0.295 4.345 4.640 0.000 0.000 0.191 268 D C 1.142 177.450 176.300 0.013 0.000 1.013 268 D CA 2.380 56.280 54.000 -0.167 0.000 0.883 268 D CB -0.119 40.429 40.800 -0.420 0.000 0.915 268 D HN 0.592 nan 8.370 nan 0.000 0.448 269 D N -0.968 119.479 120.400 0.078 0.000 2.424 269 D HA 0.206 4.846 4.640 0.000 0.000 0.220 269 D C 0.086 176.449 176.300 0.105 0.000 1.150 269 D CA -0.192 53.848 54.000 0.067 0.000 0.831 269 D CB -0.260 40.559 40.800 0.031 0.000 0.981 269 D HN 0.292 nan 8.370 nan 0.000 0.500 270 A N 0.737 123.651 122.820 0.156 0.000 2.407 270 A HA 0.136 4.456 4.320 0.000 0.000 0.248 270 A C 0.310 177.995 177.584 0.168 0.000 1.082 270 A CA -0.368 51.788 52.037 0.198 0.000 0.785 270 A CB 0.390 19.541 19.000 0.252 0.000 1.020 270 A HN 0.148 nan 8.150 nan 0.000 0.489 271 D N 2.825 123.344 120.400 0.199 0.000 2.348 271 D HA 0.051 4.691 4.640 0.000 0.000 0.259 271 D C 1.207 177.610 176.300 0.172 0.000 1.296 271 D CA -0.395 53.707 54.000 0.170 0.000 0.931 271 D CB 0.227 41.134 40.800 0.178 0.000 1.067 271 D HN 0.311 nan 8.370 nan 0.000 0.503 272 L N 3.595 124.906 121.223 0.147 0.000 1.997 272 L HA -0.224 4.116 4.340 0.000 0.000 0.216 272 L C 1.813 178.777 176.870 0.156 0.000 1.074 272 L CA 1.578 56.521 54.840 0.173 0.000 0.763 272 L CB -1.216 40.938 42.059 0.160 0.000 0.890 272 L HN 0.434 nan 8.230 nan 0.000 0.434 273 D N -0.558 119.909 120.400 0.111 0.000 2.310 273 D HA -0.051 4.589 4.640 0.000 0.000 0.212 273 D C 2.070 178.421 176.300 0.085 0.000 0.965 273 D CA 1.174 55.221 54.000 0.077 0.000 0.879 273 D CB 0.335 41.170 40.800 0.058 0.000 0.921 273 D HN 0.352 nan 8.370 nan 0.000 0.510 274 A N 0.244 123.139 122.820 0.126 0.000 2.030 274 A HA 0.254 4.574 4.320 0.000 0.000 0.215 274 A C 2.181 179.808 177.584 0.071 0.000 1.164 274 A CA 1.097 53.239 52.037 0.174 0.000 0.697 274 A CB -0.050 19.124 19.000 0.290 0.000 0.827 274 A HN 0.175 nan 8.150 nan 0.000 0.457 275 A N -0.445 122.304 122.820 -0.117 0.000 1.970 275 A HA 0.138 4.458 4.320 0.000 0.000 0.216 275 A C 2.111 179.719 177.584 0.040 0.000 1.170 275 A CA 1.395 53.148 52.037 -0.474 0.000 0.645 275 A CB -0.649 18.175 19.000 -0.293 0.000 0.816 275 A HN 0.271 nan 8.150 nan 0.000 0.447 276 V N 0.285 120.262 119.914 0.105 0.000 2.295 276 V HA -0.245 3.875 4.120 0.000 0.000 0.246 276 V C 3.136 179.202 176.094 -0.046 0.000 1.049 276 V CA 2.707 64.983 62.300 -0.040 0.000 1.024 276 V CB -1.300 30.458 31.823 -0.109 0.000 0.648 276 V HN 0.771 nan 8.190 nan 0.000 0.447 277 E N 0.302 120.507 120.200 0.007 0.000 2.097 277 E HA -0.257 4.093 4.350 0.000 0.000 0.196 277 E C 2.271 178.915 176.600 0.073 0.000 1.000 277 E CA 1.860 58.283 56.400 0.038 0.000 0.804 277 E CB -1.398 28.347 29.700 0.075 0.000 0.740 277 E HN 0.689 nan 8.360 nan 0.000 0.454 278 G N -0.269 108.607 108.800 0.127 0.000 2.464 278 G HA2 0.170 4.130 3.960 0.000 0.000 0.217 278 G HA3 0.170 4.130 3.960 0.000 0.000 0.217 278 G C 1.933 176.888 174.900 0.092 0.000 1.138 278 G CA 1.466 46.717 45.100 0.251 0.000 0.793 278 G HN 0.836 nan 8.290 nan 0.000 0.539 279 A N 1.493 124.212 122.820 -0.168 0.000 1.845 279 A HA 0.032 4.352 4.320 0.000 0.000 0.215 279 A C 2.324 179.882 177.584 -0.044 0.000 1.195 279 A CA 1.339 53.135 52.037 -0.402 0.000 0.616 279 A CB -0.368 18.431 19.000 -0.335 0.000 0.832 279 A HN 0.225 nan 8.150 nan 0.000 0.443 280 I N 0.233 120.814 120.570 0.018 0.000 2.118 280 I HA -0.310 3.860 4.170 0.000 0.000 0.241 280 I C 2.993 179.194 176.117 0.141 0.000 1.070 280 I CA 1.723 63.113 61.300 0.151 0.000 1.327 280 I CB -1.747 36.255 38.000 0.003 0.000 1.034 280 I HN 0.382 nan 8.210 nan 0.000 0.405 281 A N 1.097 123.956 122.820 0.065 0.000 1.917 281 A HA -0.221 4.099 4.320 0.000 0.000 0.219 281 A C 2.430 180.022 177.584 0.014 0.000 1.182 281 A CA 2.727 54.796 52.037 0.053 0.000 0.633 281 A CB -0.830 18.205 19.000 0.059 0.000 0.819 281 A HN 0.598 nan 8.150 nan 0.000 0.448 282 S N -1.746 113.919 115.700 -0.058 0.000 2.524 282 S HA 0.127 4.597 4.470 0.000 0.000 0.216 282 S C 1.428 175.945 174.600 -0.139 0.000 0.987 282 S CA 0.997 59.100 58.200 -0.162 0.000 0.909 282 S CB 0.200 63.114 63.200 -0.476 0.000 0.781 282 S HN 0.536 nan 8.310 nan 0.000 0.521 283 K N -0.141 120.197 120.400 -0.103 0.000 2.387 283 K HA 0.360 4.680 4.320 0.000 0.000 0.197 283 K C 0.806 177.206 176.600 -0.333 0.000 1.127 283 K CA 0.294 56.453 56.287 -0.213 0.000 0.950 283 K CB -0.061 32.339 32.500 -0.166 0.000 1.017 283 K HN 0.311 nan 8.250 nan 0.000 0.519 284 Y N 1.138 121.434 120.300 -0.008 0.000 2.481 284 Y HA 0.274 4.824 4.550 0.000 0.000 0.258 284 Y C 0.270 176.170 175.900 0.001 0.000 1.103 284 Y CA -0.316 57.784 58.100 -0.000 0.000 1.287 284 Y CB 0.341 38.796 38.460 -0.008 0.000 1.108 284 Y HN -0.050 nan 8.280 nan 0.000 0.529 285 R N 0.331 120.896 120.500 0.107 0.000 2.615 285 R HA 0.138 4.478 4.340 0.000 0.000 0.270 285 R C 0.377 176.688 176.300 0.020 0.000 1.081 285 R CA -0.166 55.974 56.100 0.067 0.000 1.154 285 R CB 0.139 30.476 30.300 0.062 0.000 1.063 285 R HN 0.057 nan 8.270 nan 0.000 0.519 286 N N 1.014 119.711 118.700 -0.005 0.000 2.696 286 N HA -0.316 4.424 4.740 0.000 0.000 0.249 286 N C -0.711 174.796 175.510 -0.005 0.000 1.090 286 N CA 1.297 54.313 53.050 -0.055 0.000 0.716 286 N CB -1.338 37.048 38.487 -0.168 0.000 1.020 286 N HN 1.054 nan 8.380 nan 0.000 0.548 287 N N -0.934 117.789 118.700 0.037 0.000 2.701 287 N HA -0.266 4.474 4.740 0.000 0.000 0.250 287 N C 0.771 176.294 175.510 0.021 0.000 1.046 287 N CA 1.516 54.606 53.050 0.067 0.000 0.733 287 N CB -1.194 37.338 38.487 0.075 0.000 0.973 287 N HN 0.934 nan 8.380 nan 0.000 0.541 288 G N -0.726 108.048 108.800 -0.044 0.000 2.157 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.239 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.239 288 G C -0.098 174.723 174.900 -0.132 0.000 0.982 288 G CA 0.400 45.429 45.100 -0.119 0.000 0.650 288 G HN 0.590 nan 8.290 nan 0.000 0.527 289 Q N 1.334 121.097 119.800 -0.062 0.000 2.916 289 Q HA 0.467 4.807 4.340 0.000 0.000 0.314 289 Q C 0.008 175.889 176.000 -0.198 0.000 1.194 289 Q CA 0.451 56.233 55.803 -0.035 0.000 1.079 289 Q CB 0.724 29.592 28.738 0.216 0.000 1.322 289 Q HN 0.580 nan 8.270 nan 0.000 0.500 290 T N -4.089 110.320 114.554 -0.242 0.000 2.916 290 T HA 0.194 4.544 4.350 0.000 0.000 0.305 290 T C 1.051 175.647 174.700 -0.174 0.000 1.119 290 T CA -0.858 61.185 62.100 -0.096 0.000 1.008 290 T CB 0.957 69.886 68.868 0.102 0.000 1.129 290 T HN 0.437 nan 8.240 nan 0.000 0.480 291 C N 1.579 120.850 119.300 -0.048 0.000 2.403 291 C HA -0.053 4.407 4.460 0.000 0.000 0.279 291 C C 2.613 177.567 174.990 -0.061 0.000 1.269 291 C CA 0.751 59.740 59.018 -0.047 0.000 1.774 291 C CB -1.852 25.939 27.740 0.085 0.000 1.993 291 C HN 0.894 nan 8.230 nan 0.000 0.496 292 V N -2.631 117.287 119.914 0.008 0.000 3.647 292 V HA 0.240 4.360 4.120 0.000 0.000 0.279 292 V C 1.034 177.160 176.094 0.054 0.000 1.314 292 V CA -0.468 61.845 62.300 0.021 0.000 1.125 292 V CB -1.730 30.138 31.823 0.075 0.000 0.907 292 V HN 0.570 nan 8.190 nan 0.000 0.434 293 C N 2.732 122.001 119.300 -0.051 0.000 2.596 293 C HA 0.195 4.655 4.460 0.000 0.000 0.414 293 C C 1.474 176.415 174.990 -0.081 0.000 1.396 293 C CA 0.647 59.612 59.018 -0.088 0.000 1.698 293 C CB -0.625 26.992 27.740 -0.204 0.000 2.572 293 C HN 0.666 nan 8.230 nan 0.000 0.604 294 T N 5.125 119.636 114.554 -0.073 0.000 2.831 294 T HA -0.053 4.297 4.350 0.000 0.000 0.291 294 T C 1.053 175.646 174.700 -0.179 0.000 0.981 294 T CA 0.669 62.684 62.100 -0.140 0.000 1.174 294 T CB 0.084 68.690 68.868 -0.436 0.000 0.929 294 T HN 0.823 nan 8.240 nan 0.000 0.532 295 N N 3.074 121.704 118.700 -0.116 0.000 2.454 295 N HA 0.050 4.790 4.740 0.000 0.000 0.177 295 N C 0.053 175.567 175.510 0.008 0.000 1.049 295 N CA 0.409 53.432 53.050 -0.045 0.000 0.887 295 N CB 0.546 39.026 38.487 -0.011 0.000 1.095 295 N HN 0.452 nan 8.380 nan 0.000 0.446 296 R N -0.028 120.443 120.500 -0.048 0.000 2.473 296 R HA 0.264 4.604 4.340 0.000 0.000 0.303 296 R C -1.429 174.857 176.300 -0.024 0.000 1.002 296 R CA -0.590 55.480 56.100 -0.050 0.000 0.884 296 R CB 0.949 31.164 30.300 -0.142 0.000 1.173 296 R HN -0.008 nan 8.270 nan 0.000 0.464 297 F N 3.329 123.354 119.950 0.125 0.000 2.421 297 F HA 0.319 4.846 4.527 0.000 0.000 0.358 297 F C -0.032 175.827 175.800 0.099 0.000 1.115 297 F CA -0.103 58.028 58.000 0.218 0.000 1.160 297 F CB 0.532 39.663 39.000 0.218 0.000 1.123 297 F HN 0.334 nan 8.300 nan 0.000 0.508 298 F N 3.424 123.607 119.950 0.389 0.000 2.411 298 F HA 0.581 5.108 4.527 0.000 0.000 0.352 298 F C -0.446 175.639 175.800 0.475 0.000 1.123 298 F CA -0.927 57.311 58.000 0.398 0.000 1.044 298 F CB 1.298 40.364 39.000 0.110 0.000 1.135 298 F HN -0.016 nan 8.300 nan 0.000 0.461 299 V N 3.011 123.271 119.914 0.576 0.000 2.531 299 V HA 0.234 4.354 4.120 0.000 0.000 0.301 299 V C -0.016 176.035 176.094 -0.071 0.000 1.034 299 V CA -1.000 61.438 62.300 0.229 0.000 0.865 299 V CB 1.325 33.164 31.823 0.027 0.000 0.995 299 V HN 0.669 nan 8.190 nan 0.000 0.424 300 H N 2.970 121.683 119.070 -0.595 0.000 2.897 300 H HA 0.082 4.638 4.556 0.000 0.000 0.347 300 H C 1.146 176.289 175.328 -0.309 0.000 1.068 300 H CA 0.875 56.362 56.048 -0.934 0.000 1.426 300 H CB 1.080 30.468 29.762 -0.625 0.000 1.410 300 H HN 0.864 nan 8.280 nan 0.000 0.597 301 E N 3.667 123.491 120.200 -0.627 0.000 2.086 301 E HA -0.290 4.060 4.350 0.000 0.000 0.205 301 E C 2.023 178.625 176.600 0.004 0.000 1.027 301 E CA 1.423 57.663 56.400 -0.266 0.000 0.830 301 E CB 0.008 29.506 29.700 -0.336 0.000 0.751 301 E HN 0.583 nan 8.360 nan 0.000 0.456 302 R N 0.534 121.139 120.500 0.175 0.000 2.285 302 R HA -0.088 4.252 4.340 0.000 0.000 0.213 302 R C 1.740 178.134 176.300 0.156 0.000 1.068 302 R CA 1.131 57.344 56.100 0.188 0.000 1.004 302 R CB 0.265 30.709 30.300 0.240 0.000 0.873 302 R HN 0.235 nan 8.270 nan 0.000 0.467 303 V N -4.718 115.299 119.914 0.172 0.000 3.485 303 V HA 0.074 4.194 4.120 0.000 0.000 0.280 303 V C 1.428 177.639 176.094 0.195 0.000 1.495 303 V CA -0.376 62.015 62.300 0.151 0.000 1.018 303 V CB -0.692 31.197 31.823 0.109 0.000 0.818 303 V HN 0.113 nan 8.190 nan 0.000 0.436 304 Y N 2.441 122.781 120.300 0.067 0.000 2.102 304 Y HA -0.283 4.267 4.550 0.000 0.000 0.280 304 Y C 2.273 178.242 175.900 0.115 0.000 1.178 304 Y CA 2.630 60.789 58.100 0.099 0.000 1.146 304 Y CB -0.025 38.450 38.460 0.025 0.000 0.968 304 Y HN 0.296 nan 8.280 nan 0.000 0.504 305 D N -0.300 120.293 120.400 0.321 0.000 2.084 305 D HA -0.172 4.468 4.640 0.000 0.000 0.194 305 D C 2.254 178.618 176.300 0.107 0.000 0.990 305 D CA 1.553 55.674 54.000 0.202 0.000 0.826 305 D CB -0.629 40.255 40.800 0.139 0.000 0.971 305 D HN 0.461 nan 8.370 nan 0.000 0.453 306 A N -0.184 122.703 122.820 0.112 0.000 1.969 306 A HA -0.135 4.185 4.320 0.000 0.000 0.218 306 A C 2.048 179.680 177.584 0.081 0.000 1.169 306 A CA 0.821 52.908 52.037 0.082 0.000 0.635 306 A CB -0.763 18.294 19.000 0.095 0.000 0.810 306 A HN 0.236 nan 8.150 nan 0.000 0.445 307 F N 0.834 120.747 119.950 -0.061 0.000 2.074 307 F HA 0.057 4.584 4.527 0.000 0.000 0.293 307 F C 2.588 178.273 175.800 -0.193 0.000 1.116 307 F CA 1.009 58.936 58.000 -0.122 0.000 1.212 307 F CB -0.768 38.152 39.000 -0.134 0.000 0.998 307 F HN 0.241 nan 8.300 nan 0.000 0.471 308 A N 0.283 122.937 122.820 -0.278 0.000 1.903 308 A HA -0.290 4.030 4.320 0.000 0.000 0.219 308 A C 1.945 179.355 177.584 -0.290 0.000 1.191 308 A CA 2.381 54.198 52.037 -0.366 0.000 0.638 308 A CB -1.319 17.541 19.000 -0.232 0.000 0.823 308 A HN 0.488 nan 8.150 nan 0.000 0.451 309 D N -0.597 119.702 120.400 -0.167 0.000 2.133 309 D HA -0.135 4.505 4.640 0.000 0.000 0.195 309 D C 2.028 178.226 176.300 -0.170 0.000 0.997 309 D CA 1.609 55.533 54.000 -0.127 0.000 0.840 309 D CB -0.147 40.616 40.800 -0.061 0.000 0.947 309 D HN 0.544 nan 8.370 nan 0.000 0.452 310 K N -0.386 119.885 120.400 -0.215 0.000 2.044 310 K HA -0.020 4.300 4.320 0.000 0.000 0.204 310 K C 2.018 178.433 176.600 -0.308 0.000 1.049 310 K CA 0.200 56.358 56.287 -0.215 0.000 0.945 310 K CB -0.207 32.197 32.500 -0.160 0.000 0.724 310 K HN 0.049 nan 8.250 nan 0.000 0.440 311 L N 1.487 122.402 121.223 -0.512 0.000 2.042 311 L HA -0.147 4.193 4.340 0.000 0.000 0.210 311 L C 2.185 178.836 176.870 -0.365 0.000 1.076 311 L CA 1.798 56.311 54.840 -0.546 0.000 0.749 311 L CB -0.656 40.869 42.059 -0.890 0.000 0.893 311 L HN 0.119 nan 8.230 nan 0.000 0.432 312 A N -0.345 122.290 122.820 -0.308 0.000 1.892 312 A HA -0.178 4.142 4.320 0.000 0.000 0.218 312 A C 2.440 179.917 177.584 -0.178 0.000 1.188 312 A CA 2.153 54.065 52.037 -0.208 0.000 0.631 312 A CB -1.240 17.664 19.000 -0.160 0.000 0.822 312 A HN 0.607 nan 8.150 nan 0.000 0.447 313 A N -0.686 122.032 122.820 -0.170 0.000 1.968 313 A HA 0.318 4.638 4.320 0.000 0.000 0.217 313 A C 2.409 179.903 177.584 -0.150 0.000 1.169 313 A CA 1.638 53.593 52.037 -0.136 0.000 0.638 313 A CB -0.761 18.173 19.000 -0.111 0.000 0.812 313 A HN 1.009 nan 8.150 nan 0.000 0.446 314 A N -0.593 122.113 122.820 -0.189 0.000 1.968 314 A HA 0.074 4.394 4.320 0.000 0.000 0.217 314 A C 2.121 179.557 177.584 -0.246 0.000 1.169 314 A CA 1.586 53.506 52.037 -0.196 0.000 0.638 314 A CB -0.623 18.251 19.000 -0.210 0.000 0.812 314 A HN 0.326 nan 8.150 nan 0.000 0.446 315 V N 0.821 120.556 119.914 -0.299 0.000 2.548 315 V HA -0.179 3.941 4.120 0.000 0.000 0.249 315 V C 2.934 178.888 176.094 -0.234 0.000 1.055 315 V CA 2.113 64.185 62.300 -0.380 0.000 1.065 315 V CB -0.537 31.063 31.823 -0.372 0.000 0.681 315 V HN 0.810 nan 8.190 nan 0.000 0.462 316 S N 0.983 116.584 115.700 -0.165 0.000 2.423 316 S HA -0.146 4.324 4.470 0.000 0.000 0.231 316 S C 1.968 176.510 174.600 -0.096 0.000 1.014 316 S CA 1.465 59.600 58.200 -0.109 0.000 0.965 316 S CB -0.426 62.720 63.200 -0.090 0.000 0.785 316 S HN 0.602 nan 8.310 nan 0.000 0.495 317 K N 0.932 121.266 120.400 -0.111 0.000 2.487 317 K HA 0.502 4.822 4.320 0.000 0.000 0.192 317 K C 0.825 177.372 176.600 -0.089 0.000 1.027 317 K CA 0.340 56.574 56.287 -0.088 0.000 1.054 317 K CB -0.785 31.665 32.500 -0.083 0.000 0.824 317 K HN 0.589 nan 8.250 nan 0.000 0.510 318 L N 0.425 121.576 121.223 -0.119 0.000 2.475 318 L HA 0.515 4.855 4.340 0.000 0.000 0.253 318 L C 0.685 177.514 176.870 -0.070 0.000 1.198 318 L CA -0.457 54.318 54.840 -0.108 0.000 0.814 318 L CB 1.308 43.265 42.059 -0.171 0.000 1.134 318 L HN 0.356 nan 8.230 nan 0.000 0.478 319 K N 0.997 121.367 120.400 -0.050 0.000 2.482 319 K HA 0.641 4.961 4.320 0.000 0.000 0.251 319 K C -1.056 175.518 176.600 -0.043 0.000 0.936 319 K CA -0.596 55.666 56.287 -0.042 0.000 0.791 319 K CB 1.466 33.948 32.500 -0.031 0.000 1.213 319 K HN 0.335 nan 8.250 nan 0.000 0.428 320 V N 1.015 120.870 119.914 -0.100 0.000 2.509 320 V HA 0.931 5.051 4.120 0.000 0.000 0.284 320 V C 0.929 176.936 176.094 -0.145 0.000 1.047 320 V CA 0.112 62.330 62.300 -0.137 0.000 0.952 320 V CB 0.888 32.447 31.823 -0.440 0.000 0.988 320 V HN 1.385 nan 8.190 nan 0.000 0.469 321 G N 2.140 110.962 108.800 0.036 0.000 2.356 321 G HA2 0.604 4.564 3.960 0.000 0.000 0.294 321 G HA3 0.604 4.564 3.960 0.000 0.000 0.294 321 G C -0.714 174.386 174.900 0.335 0.000 1.423 321 G CA -0.479 44.631 45.100 0.017 0.000 0.806 321 G HN 0.900 nan 8.290 nan 0.000 0.527 322 R N -0.460 120.190 120.500 0.250 0.000 2.449 322 R HA 0.556 4.896 4.340 0.000 0.000 0.296 322 R C 1.507 177.896 176.300 0.148 0.000 1.047 322 R CA 0.743 57.011 56.100 0.281 0.000 1.018 322 R CB 0.066 30.483 30.300 0.196 0.000 0.962 322 R HN 2.166 nan 8.270 nan 0.000 0.428 323 G N 0.466 109.337 108.800 0.119 0.000 2.916 323 G HA2 -0.110 3.850 3.960 0.000 0.000 0.205 323 G HA3 -0.110 3.850 3.960 0.000 0.000 0.205 323 G C 0.983 175.917 174.900 0.057 0.000 1.163 323 G CA 1.259 46.404 45.100 0.074 0.000 0.821 323 G HN 0.947 nan 8.290 nan 0.000 0.515 324 T N -3.085 111.504 114.554 0.058 0.000 3.176 324 T HA 0.371 4.721 4.350 0.000 0.000 0.263 324 T C 0.238 174.959 174.700 0.036 0.000 1.021 324 T CA -0.425 61.701 62.100 0.043 0.000 0.905 324 T CB 0.642 69.534 68.868 0.040 0.000 1.057 324 T HN 0.311 nan 8.240 nan 0.000 0.558 325 E N 0.711 120.933 120.200 0.037 0.000 2.299 325 E HA 0.533 4.883 4.350 0.000 0.000 0.265 325 E C -0.915 175.698 176.600 0.021 0.000 0.911 325 E CA -0.737 55.679 56.400 0.026 0.000 0.789 325 E CB 1.941 31.655 29.700 0.023 0.000 1.246 325 E HN 0.084 nan 8.360 nan 0.000 0.427 326 S N 0.626 116.335 115.700 0.015 0.000 2.533 326 S HA 0.337 4.807 4.470 0.000 0.000 0.282 326 S C 0.835 175.440 174.600 0.008 0.000 1.304 326 S CA 0.979 59.186 58.200 0.011 0.000 1.063 326 S CB 0.715 63.920 63.200 0.008 0.000 0.881 326 S HN 0.835 nan 8.310 nan 0.000 0.493 327 G N 2.381 111.185 108.800 0.008 0.000 2.253 327 G HA2 -0.232 3.728 3.960 0.000 0.000 0.251 327 G HA3 -0.232 3.728 3.960 0.000 0.000 0.251 327 G C 0.252 175.154 174.900 0.003 0.000 0.998 327 G CA -0.063 45.039 45.100 0.002 0.000 0.621 327 G HN 1.256 nan 8.290 nan 0.000 0.524 328 A N 1.227 124.055 122.820 0.012 0.000 2.457 328 A HA 0.621 4.941 4.320 0.000 0.000 0.298 328 A C 1.483 179.086 177.584 0.032 0.000 1.288 328 A CA 1.478 53.529 52.037 0.023 0.000 0.956 328 A CB -0.043 18.982 19.000 0.042 0.000 1.135 328 A HN 1.302 nan 8.150 nan 0.000 0.535 329 T N 0.406 114.975 114.554 0.024 0.000 3.037 329 T HA 0.287 4.637 4.350 0.000 0.000 0.251 329 T C 0.273 175.002 174.700 0.049 0.000 1.079 329 T CA 0.372 62.490 62.100 0.029 0.000 1.067 329 T CB -0.307 68.567 68.868 0.010 0.000 0.948 329 T HN 0.330 nan 8.240 nan 0.000 0.496 330 L N 2.145 123.406 121.223 0.062 0.000 2.366 330 L HA 0.669 5.009 4.340 0.000 0.000 0.266 330 L C 0.810 177.759 176.870 0.132 0.000 1.010 330 L CA -0.995 53.901 54.840 0.094 0.000 0.879 330 L CB 1.444 43.561 42.059 0.097 0.000 1.228 330 L HN 0.236 nan 8.230 nan 0.000 0.439 331 G N 2.903 111.759 108.800 0.093 0.000 2.621 331 G HA2 0.523 4.483 3.960 0.000 0.000 0.271 331 G HA3 0.523 4.483 3.960 0.000 0.000 0.271 331 G C -2.631 172.202 174.900 -0.112 0.000 1.236 331 G CA -0.900 44.229 45.100 0.049 0.000 0.958 331 G HN 0.278 nan 8.290 nan 0.000 0.512 332 P HA 0.296 nan 4.420 nan 0.000 0.282 332 P C -0.170 176.985 177.300 -0.241 0.000 1.259 332 P CA -0.711 62.024 63.100 -0.609 0.000 0.826 332 P CB 1.234 32.165 31.700 -1.282 0.000 1.064 333 L N 2.186 123.329 121.223 -0.132 0.000 2.479 333 L HA 0.108 4.448 4.340 0.000 0.000 0.270 333 L C 2.242 179.034 176.870 -0.130 0.000 1.236 333 L CA 0.131 54.932 54.840 -0.065 0.000 0.823 333 L CB -0.841 41.194 42.059 -0.040 0.000 1.098 333 L HN 0.513 nan 8.230 nan 0.000 0.500 334 I N 1.223 121.677 120.570 -0.193 0.000 2.102 334 I HA -0.213 3.957 4.170 0.000 0.000 0.228 334 I C 1.158 177.127 176.117 -0.247 0.000 1.057 334 I CA 0.920 62.043 61.300 -0.295 0.000 1.334 334 I CB 0.200 37.808 38.000 -0.654 0.000 1.096 334 I HN 0.965 nan 8.210 nan 0.000 0.396 335 N N -0.081 118.427 118.700 -0.321 0.000 2.418 335 N HA 0.023 4.763 4.740 0.000 0.000 0.283 335 N C 0.619 176.055 175.510 -0.123 0.000 1.267 335 N CA -0.337 52.594 53.050 -0.199 0.000 0.975 335 N CB 0.015 38.352 38.487 -0.250 0.000 1.167 335 N HN 0.181 nan 8.380 nan 0.000 0.581 336 E N -0.811 119.349 120.200 -0.068 0.000 2.158 336 E HA -0.041 4.309 4.350 0.000 0.000 0.191 336 E C 1.787 178.351 176.600 -0.061 0.000 0.982 336 E CA 0.768 57.146 56.400 -0.037 0.000 0.823 336 E CB -0.455 29.242 29.700 -0.006 0.000 0.766 336 E HN 0.679 nan 8.360 nan 0.000 0.468 337 A N 1.449 124.214 122.820 -0.092 0.000 1.903 337 A HA -0.227 4.093 4.320 0.000 0.000 0.219 337 A C 2.377 179.894 177.584 -0.111 0.000 1.191 337 A CA 2.398 54.376 52.037 -0.098 0.000 0.638 337 A CB -0.623 18.303 19.000 -0.123 0.000 0.823 337 A HN 0.291 nan 8.150 nan 0.000 0.451 338 A N -0.835 121.897 122.820 -0.146 0.000 2.014 338 A HA 0.160 4.480 4.320 0.000 0.000 0.218 338 A C 2.148 179.647 177.584 -0.141 0.000 1.163 338 A CA 1.421 53.369 52.037 -0.148 0.000 0.652 338 A CB -0.692 18.213 19.000 -0.158 0.000 0.808 338 A HN 0.452 nan 8.150 nan 0.000 0.449 339 V N 0.338 120.189 119.914 -0.105 0.000 2.295 339 V HA -0.210 3.910 4.120 0.000 0.000 0.246 339 V C 3.095 179.136 176.094 -0.089 0.000 1.049 339 V CA 2.529 64.778 62.300 -0.085 0.000 1.024 339 V CB -1.469 30.378 31.823 0.040 0.000 0.648 339 V HN 0.669 nan 8.190 nan 0.000 0.447 340 K N 0.550 120.924 120.400 -0.043 0.000 2.057 340 K HA -0.187 4.133 4.320 0.000 0.000 0.207 340 K C 2.194 178.765 176.600 -0.050 0.000 1.049 340 K CA 2.033 58.309 56.287 -0.019 0.000 0.931 340 K CB -0.708 31.787 32.500 -0.008 0.000 0.714 340 K HN 0.529 nan 8.250 nan 0.000 0.440 341 K N 0.042 120.386 120.400 -0.093 0.000 2.283 341 K HA -0.004 4.316 4.320 0.000 0.000 0.202 341 K C 2.010 178.490 176.600 -0.200 0.000 1.048 341 K CA 0.849 57.064 56.287 -0.120 0.000 0.948 341 K CB -0.198 32.215 32.500 -0.145 0.000 0.742 341 K HN 0.203 nan 8.250 nan 0.000 0.458 342 V N 1.015 120.781 119.914 -0.247 0.000 2.283 342 V HA -0.200 3.920 4.120 0.000 0.000 0.243 342 V C 1.815 177.797 176.094 -0.187 0.000 1.039 342 V CA 1.719 63.822 62.300 -0.328 0.000 1.016 342 V CB -0.289 31.141 31.823 -0.654 0.000 0.650 342 V HN 0.342 nan 8.190 nan 0.000 0.449 343 E N -0.105 120.013 120.200 -0.136 0.000 2.118 343 E HA -0.232 4.118 4.350 0.000 0.000 0.195 343 E C 2.403 179.060 176.600 0.094 0.000 0.992 343 E CA 1.506 57.955 56.400 0.081 0.000 0.804 343 E CB -0.258 29.535 29.700 0.155 0.000 0.741 343 E HN 0.493 nan 8.360 nan 0.000 0.458 344 S N -0.357 115.387 115.700 0.073 0.000 2.374 344 S HA -0.226 4.244 4.470 0.000 0.000 0.227 344 S C 1.746 176.470 174.600 0.207 0.000 1.037 344 S CA 1.292 59.565 58.200 0.122 0.000 1.024 344 S CB -0.255 63.014 63.200 0.114 0.000 0.861 344 S HN 0.435 nan 8.310 nan 0.000 0.456 345 H N -0.459 118.626 119.070 0.025 0.000 2.470 345 H HA 0.106 4.662 4.556 0.000 0.000 0.289 345 H C 2.015 177.371 175.328 0.047 0.000 1.033 345 H CA 1.225 57.297 56.048 0.041 0.000 1.331 345 H CB 0.086 29.873 29.762 0.043 0.000 1.414 345 H HN 0.413 nan 8.280 nan 0.000 0.545 346 I N 0.486 121.159 120.570 0.171 0.000 2.193 346 I HA -0.170 4.000 4.170 0.000 0.000 0.240 346 I C 2.820 178.993 176.117 0.094 0.000 1.084 346 I CA 0.871 62.249 61.300 0.131 0.000 1.365 346 I CB -0.216 37.882 38.000 0.163 0.000 1.064 346 I HN 0.162 nan 8.210 nan 0.000 0.410 347 A N 0.252 123.128 122.820 0.092 0.000 1.933 347 A HA -0.275 4.045 4.320 0.000 0.000 0.218 347 A C 2.104 179.715 177.584 0.046 0.000 1.175 347 A CA 1.981 54.057 52.037 0.066 0.000 0.628 347 A CB -0.699 18.341 19.000 0.066 0.000 0.814 347 A HN 0.501 nan 8.150 nan 0.000 0.444 348 D N 0.473 120.900 120.400 0.046 0.000 2.106 348 D HA -0.182 4.458 4.640 0.000 0.000 0.191 348 D C 2.109 178.411 176.300 0.004 0.000 0.997 348 D CA 1.903 55.914 54.000 0.018 0.000 0.834 348 D CB -0.252 40.545 40.800 -0.005 0.000 0.956 348 D HN 0.328 nan 8.370 nan 0.000 0.448 349 A N 0.924 123.749 122.820 0.007 0.000 1.902 349 A HA -0.127 4.193 4.320 0.000 0.000 0.217 349 A C 2.420 180.001 177.584 -0.005 0.000 1.181 349 A CA 0.918 52.950 52.037 -0.010 0.000 0.623 349 A CB -0.603 18.396 19.000 -0.001 0.000 0.818 349 A HN 0.339 nan 8.150 nan 0.000 0.443 350 L N -0.713 120.518 121.223 0.014 0.000 2.027 350 L HA -0.115 4.225 4.340 0.000 0.000 0.206 350 L C 2.920 179.793 176.870 0.006 0.000 1.074 350 L CA 2.088 56.935 54.840 0.012 0.000 0.745 350 L CB -1.569 40.505 42.059 0.025 0.000 0.898 350 L HN 0.451 nan 8.230 nan 0.000 0.433 351 A N -1.058 121.768 122.820 0.009 0.000 2.119 351 A HA -0.151 4.169 4.320 0.000 0.000 0.217 351 A C 2.031 179.615 177.584 -0.001 0.000 1.153 351 A CA 0.926 52.967 52.037 0.006 0.000 0.692 351 A CB -0.286 18.720 19.000 0.011 0.000 0.799 351 A HN 0.314 nan 8.150 nan 0.000 0.458 352 K N -1.283 119.112 120.400 -0.007 0.000 2.446 352 K HA 0.287 4.607 4.320 0.000 0.000 0.203 352 K C 0.817 177.403 176.600 -0.023 0.000 1.027 352 K CA 0.439 56.717 56.287 -0.014 0.000 1.166 352 K CB 0.079 32.568 32.500 -0.018 0.000 0.869 352 K HN 0.556 nan 8.250 nan 0.000 0.504 353 G N 0.308 109.096 108.800 -0.020 0.000 2.184 353 G HA2 -0.231 3.729 3.960 0.000 0.000 0.206 353 G HA3 -0.231 3.729 3.960 0.000 0.000 0.206 353 G C 0.185 175.068 174.900 -0.029 0.000 0.995 353 G CA -0.098 44.989 45.100 -0.023 0.000 0.651 353 G HN 0.413 nan 8.290 nan 0.000 0.511 354 A N 0.047 122.849 122.820 -0.030 0.000 2.313 354 A HA 0.820 5.140 4.320 0.000 0.000 0.261 354 A C 0.798 178.374 177.584 -0.012 0.000 1.090 354 A CA 0.941 52.959 52.037 -0.032 0.000 0.807 354 A CB 0.614 19.591 19.000 -0.039 0.000 1.055 354 A HN 1.010 nan 8.150 nan 0.000 0.492 355 S N -1.009 114.688 115.700 -0.005 0.000 2.718 355 S HA 0.644 5.114 4.470 0.000 0.000 0.300 355 S C -0.738 173.869 174.600 0.013 0.000 1.117 355 S CA -0.405 57.799 58.200 0.006 0.000 1.002 355 S CB 1.256 64.462 63.200 0.011 0.000 1.092 355 S HN 0.644 nan 8.310 nan 0.000 0.542 356 L N 1.639 122.870 121.223 0.013 0.000 2.346 356 L HA 0.560 4.901 4.340 0.000 0.000 0.276 356 L C 0.200 177.074 176.870 0.006 0.000 1.006 356 L CA -0.313 54.537 54.840 0.017 0.000 0.817 356 L CB 1.746 43.818 42.059 0.022 0.000 1.272 356 L HN 0.805 nan 8.230 nan 0.000 0.421 357 M N 1.955 121.555 119.600 0.001 0.000 2.858 357 M HA 0.321 4.801 4.480 0.000 0.000 0.255 357 M C 0.239 176.525 176.300 -0.024 0.000 1.336 357 M CA 0.832 56.121 55.300 -0.018 0.000 1.220 357 M CB 0.688 33.264 32.600 -0.041 0.000 1.252 357 M HN 0.563 nan 8.290 nan 0.000 0.538 358 T N -0.760 113.786 114.554 -0.014 0.000 2.894 358 T HA 0.576 4.926 4.350 0.000 0.000 0.309 358 T C -0.056 174.652 174.700 0.013 0.000 1.208 358 T CA 0.050 62.142 62.100 -0.015 0.000 1.016 358 T CB 0.884 69.728 68.868 -0.039 0.000 1.192 358 T HN 0.827 nan 8.240 nan 0.000 0.491 359 G N 1.928 110.729 108.800 0.002 0.000 2.566 359 G HA2 0.198 4.158 3.960 0.000 0.000 0.280 359 G HA3 0.198 4.158 3.960 0.000 0.000 0.280 359 G C 0.926 175.827 174.900 0.002 0.000 1.225 359 G CA 1.230 46.333 45.100 0.004 0.000 0.966 359 G HN 2.276 nan 8.290 nan 0.000 0.560 360 G N -3.073 105.734 108.800 0.011 0.000 2.799 360 G HA2 0.439 4.399 3.960 0.000 0.000 0.200 360 G HA3 0.439 4.399 3.960 0.000 0.000 0.200 360 G C 1.067 175.940 174.900 -0.046 0.000 1.206 360 G CA 1.416 46.549 45.100 0.055 0.000 0.827 360 G HN 2.332 nan 8.290 nan 0.000 0.511 361 K N 1.253 121.541 120.400 -0.187 0.000 2.155 361 K HA 0.826 5.146 4.320 0.000 0.000 0.237 361 K C 0.779 176.955 176.600 -0.707 0.000 1.040 361 K CA 0.403 56.529 56.287 -0.269 0.000 0.912 361 K CB 0.016 32.420 32.500 -0.160 0.000 1.137 361 K HN 0.766 nan 8.250 nan 0.000 0.498 362 R N 0.224 120.435 120.500 -0.481 0.000 2.738 362 R HA 0.210 4.550 4.340 0.000 0.000 0.275 362 R C 0.336 176.500 176.300 -0.227 0.000 1.121 362 R CA -0.565 55.280 56.100 -0.426 0.000 1.207 362 R CB 0.264 30.554 30.300 -0.016 0.000 1.141 362 R HN 0.761 nan 8.270 nan 0.000 0.571 363 H N -0.584 118.416 119.070 -0.116 0.000 2.502 363 H HA 0.192 4.748 4.556 0.000 0.000 0.338 363 H C 0.626 175.934 175.328 -0.033 0.000 1.155 363 H CA 0.168 56.182 56.048 -0.058 0.000 1.237 363 H CB 1.921 31.696 29.762 0.022 0.000 1.534 363 H HN 0.710 nan 8.280 nan 0.000 0.523 364 A N 3.906 126.500 122.820 -0.376 0.000 1.940 364 A HA -0.249 4.071 4.320 0.000 0.000 0.221 364 A C 2.470 180.047 177.584 -0.013 0.000 1.190 364 A CA 2.470 54.398 52.037 -0.183 0.000 0.647 364 A CB -1.287 17.558 19.000 -0.258 0.000 0.821 364 A HN 0.615 nan 8.150 nan 0.000 0.457 365 L N -1.164 120.102 121.223 0.071 0.000 2.645 365 L HA 0.469 4.809 4.340 0.000 0.000 0.235 365 L C 1.873 178.878 176.870 0.224 0.000 1.150 365 L CA 1.200 56.038 54.840 -0.003 0.000 0.911 365 L CB -2.334 39.478 42.059 -0.412 0.000 1.077 365 L HN 1.526 nan 8.230 nan 0.000 0.438 366 G N -0.878 108.055 108.800 0.221 0.000 2.627 366 G HA2 -0.408 3.552 3.960 0.000 0.000 0.312 366 G HA3 -0.408 3.552 3.960 0.000 0.000 0.312 366 G C 0.750 175.870 174.900 0.368 0.000 1.299 366 G CA 1.724 46.944 45.100 0.200 0.000 0.989 366 G HN 1.366 nan 8.290 nan 0.000 0.547 367 H N -2.183 117.006 119.070 0.199 0.000 1.470 367 H HA -0.312 4.244 4.556 0.000 0.000 0.090 367 H C 2.171 177.546 175.328 0.078 0.000 0.576 367 H CA 4.008 60.138 56.048 0.136 0.000 1.899 367 H CB -1.366 28.490 29.762 0.157 0.000 2.255 367 H HN 1.531 nan 8.280 nan 0.000 0.961 368 G N -1.380 107.524 108.800 0.173 0.000 2.663 368 G HA2 0.222 4.182 3.960 0.000 0.000 0.200 368 G HA3 0.222 4.182 3.960 0.000 0.000 0.200 368 G C -0.376 174.566 174.900 0.070 0.000 1.114 368 G CA -0.038 45.076 45.100 0.024 0.000 0.861 368 G HN 0.200 nan 8.290 nan 0.000 0.702 369 F N 1.009 121.067 119.950 0.181 0.000 2.604 369 F HA 0.377 4.904 4.527 0.000 0.000 0.393 369 F C -0.023 175.935 175.800 0.263 0.000 1.043 369 F CA 0.194 58.297 58.000 0.170 0.000 1.227 369 F CB 0.179 39.251 39.000 0.120 0.000 1.016 369 F HN -0.015 nan 8.300 nan 0.000 0.556 370 F N 2.438 122.540 119.950 0.253 0.000 2.578 370 F HA 0.331 4.858 4.527 0.000 0.000 0.311 370 F C -0.178 175.743 175.800 0.201 0.000 1.094 370 F CA -1.063 57.059 58.000 0.204 0.000 0.923 370 F CB 1.257 40.335 39.000 0.131 0.000 1.230 370 F HN 0.410 nan 8.300 nan 0.000 0.450 371 E N 5.492 125.577 120.200 -0.191 0.000 2.415 371 E HA 0.112 4.462 4.350 0.000 0.000 0.263 371 E C -2.326 174.400 176.600 0.210 0.000 0.995 371 E CA -1.481 54.928 56.400 0.015 0.000 0.915 371 E CB 0.236 29.858 29.700 -0.130 0.000 0.951 371 E HN 0.177 nan 8.360 nan 0.000 0.449 372 P HA -0.023 nan 4.420 nan 0.000 0.265 372 P C -0.656 176.777 177.300 0.220 0.000 1.222 372 P CA 0.234 63.498 63.100 0.273 0.000 0.767 372 P CB 0.768 32.520 31.700 0.086 0.000 0.801 373 T N 2.768 117.501 114.554 0.299 0.000 2.876 373 T HA 0.567 4.917 4.350 0.000 0.000 0.289 373 T C -1.170 173.633 174.700 0.172 0.000 1.014 373 T CA -0.616 61.608 62.100 0.207 0.000 0.986 373 T CB 0.778 69.791 68.868 0.243 0.000 1.021 373 T HN -0.024 nan 8.240 nan 0.000 0.458 374 V N 5.606 125.573 119.914 0.089 0.000 2.638 374 V HA 0.549 4.669 4.120 0.000 0.000 0.306 374 V C -0.726 175.379 176.094 0.018 0.000 1.052 374 V CA -0.824 61.495 62.300 0.032 0.000 0.885 374 V CB 1.785 33.577 31.823 -0.051 0.000 0.999 374 V HN 0.781 nan 8.190 nan 0.000 0.424 375 L N 4.324 125.560 121.223 0.022 0.000 2.322 375 L HA 0.715 5.055 4.340 0.000 0.000 0.281 375 L C 0.383 177.262 176.870 0.016 0.000 1.014 375 L CA -0.370 54.483 54.840 0.021 0.000 0.815 375 L CB 2.178 44.254 42.059 0.028 0.000 1.247 375 L HN 0.800 nan 8.230 nan 0.000 0.421 376 T N -1.196 113.379 114.554 0.037 0.000 2.867 376 T HA 0.650 5.000 4.350 0.000 0.000 0.282 376 T C 0.489 175.258 174.700 0.115 0.000 1.000 376 T CA -0.206 61.967 62.100 0.121 0.000 1.042 376 T CB 1.684 70.641 68.868 0.148 0.000 0.973 376 T HN 1.018 nan 8.240 nan 0.000 0.465 377 G N 1.182 110.099 108.800 0.195 0.000 2.502 377 G HA2 -0.046 3.914 3.960 0.000 0.000 0.273 377 G HA3 -0.046 3.914 3.960 0.000 0.000 0.273 377 G C -0.417 174.432 174.900 -0.086 0.000 1.021 377 G CA -0.305 44.798 45.100 0.004 0.000 1.333 377 G HN 1.268 nan 8.290 nan 0.000 0.508 378 V N 1.933 121.729 119.914 -0.197 0.000 2.284 378 V HA 0.761 4.881 4.120 0.000 0.000 0.274 378 V C 0.830 176.505 176.094 -0.697 0.000 1.023 378 V CA -0.164 61.862 62.300 -0.457 0.000 0.808 378 V CB 0.783 32.247 31.823 -0.600 0.000 1.035 378 V HN 1.108 nan 8.190 nan 0.000 0.445 379 K N 6.375 126.555 120.400 -0.368 0.000 2.319 379 K HA 0.371 4.691 4.320 0.000 0.000 0.265 379 K C -1.564 174.955 176.600 -0.136 0.000 1.000 379 K CA -1.160 55.005 56.287 -0.203 0.000 0.943 379 K CB -0.377 32.075 32.500 -0.080 0.000 0.950 379 K HN 0.586 nan 8.250 nan 0.000 0.485 380 P HA -0.054 nan 4.420 nan 0.000 0.263 380 P C -0.462 176.971 177.300 0.221 0.000 1.386 380 P CA 0.702 64.038 63.100 0.394 0.000 0.797 380 P CB -0.016 31.910 31.700 0.376 0.000 1.381 381 D N -1.855 118.615 120.400 0.116 0.000 2.454 381 D HA 0.040 4.680 4.640 0.000 0.000 0.219 381 D C 0.735 177.069 176.300 0.056 0.000 1.081 381 D CA 0.011 54.057 54.000 0.077 0.000 0.867 381 D CB -0.321 40.506 40.800 0.044 0.000 1.054 381 D HN 0.133 nan 8.370 nan 0.000 0.500 382 M N 1.502 121.123 119.600 0.035 0.000 2.240 382 M HA 0.028 4.508 4.480 0.000 0.000 0.317 382 M C 0.473 176.777 176.300 0.007 0.000 1.087 382 M CA 0.296 55.596 55.300 -0.000 0.000 1.176 382 M CB 0.571 33.147 32.600 -0.041 0.000 1.439 382 M HN -0.258 nan 8.290 nan 0.000 0.452 383 D N 0.450 120.804 120.400 -0.076 0.000 2.269 383 D HA -0.105 4.535 4.640 0.000 0.000 0.208 383 D C 1.659 177.840 176.300 -0.199 0.000 0.963 383 D CA 0.611 54.539 54.000 -0.121 0.000 0.864 383 D CB 0.075 40.783 40.800 -0.153 0.000 0.936 383 D HN 0.408 nan 8.370 nan 0.000 0.505 384 V N 0.190 119.937 119.914 -0.278 0.000 3.026 384 V HA -0.095 4.025 4.120 0.000 0.000 0.265 384 V C 1.729 177.938 176.094 0.193 0.000 1.121 384 V CA 1.576 63.834 62.300 -0.071 0.000 1.142 384 V CB -0.286 31.579 31.823 0.071 0.000 0.730 384 V HN 0.246 nan 8.190 nan 0.000 0.503 385 A N -1.004 121.953 122.820 0.229 0.000 2.238 385 A HA 0.300 4.620 4.320 0.000 0.000 0.210 385 A C 2.076 179.779 177.584 0.198 0.000 1.179 385 A CA 1.076 53.286 52.037 0.288 0.000 0.827 385 A CB -0.239 19.020 19.000 0.432 0.000 0.856 385 A HN 0.576 nan 8.150 nan 0.000 0.488 386 K N -0.155 120.356 120.400 0.185 0.000 2.424 386 K HA 0.367 4.687 4.320 0.000 0.000 0.198 386 K C 0.426 177.213 176.600 0.312 0.000 1.190 386 K CA 0.771 57.186 56.287 0.213 0.000 0.935 386 K CB 0.199 32.791 32.500 0.153 0.000 1.087 386 K HN 0.581 nan 8.250 nan 0.000 0.524 387 E N 0.006 120.369 120.200 0.271 0.000 2.312 387 E HA 0.331 4.681 4.350 0.000 0.000 0.267 387 E C -1.342 175.444 176.600 0.310 0.000 0.894 387 E CA -0.759 55.821 56.400 0.300 0.000 0.773 387 E CB 2.331 32.224 29.700 0.320 0.000 1.241 387 E HN 0.377 nan 8.360 nan 0.000 0.432 388 E N 0.411 120.732 120.200 0.202 0.000 2.331 388 E HA 0.109 4.459 4.350 0.000 0.000 0.272 388 E C 0.116 176.851 176.600 0.226 0.000 1.036 388 E CA 0.051 56.556 56.400 0.175 0.000 0.864 388 E CB 1.154 30.909 29.700 0.091 0.000 1.035 388 E HN 0.472 nan 8.360 nan 0.000 0.408 389 T N 2.379 117.010 114.554 0.128 0.000 2.901 389 T HA -0.029 4.321 4.350 0.000 0.000 0.252 389 T C 0.215 175.011 174.700 0.161 0.000 1.035 389 T CA 0.058 62.156 62.100 -0.003 0.000 1.142 389 T CB -0.109 68.769 68.868 0.017 0.000 0.869 389 T HN 0.595 nan 8.240 nan 0.000 0.442 390 F N 1.044 120.947 119.950 -0.079 0.000 3.071 390 F HA -0.060 4.467 4.527 0.000 0.000 0.295 390 F C 0.763 176.528 175.800 -0.058 0.000 0.919 390 F CA 0.478 58.457 58.000 -0.035 0.000 1.050 390 F CB -1.680 37.344 39.000 0.040 0.000 1.040 390 F HN 0.396 nan 8.300 nan 0.000 0.692 391 G N -1.061 107.742 108.800 0.005 0.000 2.684 391 G HA2 0.653 4.613 3.960 0.000 0.000 0.290 391 G HA3 0.653 4.613 3.960 0.000 0.000 0.290 391 G C -2.921 171.935 174.900 -0.073 0.000 1.425 391 G CA -1.117 43.956 45.100 -0.045 0.000 0.822 391 G HN -0.218 nan 8.290 nan 0.000 0.482 392 P HA 0.154 nan 4.420 nan 0.000 0.246 392 P C -0.530 176.799 177.300 0.048 0.000 1.675 392 P CA -0.017 63.083 63.100 -0.001 0.000 0.908 392 P CB -0.063 31.826 31.700 0.315 0.000 1.890 393 L N 0.513 121.710 121.223 -0.043 0.000 2.319 393 L HA 0.685 5.025 4.340 0.000 0.000 0.281 393 L C -0.541 176.360 176.870 0.051 0.000 1.005 393 L CA -0.800 54.072 54.840 0.054 0.000 0.828 393 L CB 1.616 43.717 42.059 0.070 0.000 1.227 393 L HN -0.001 nan 8.230 nan 0.000 0.415 394 A N 7.116 129.997 122.820 0.101 0.000 2.322 394 A HA 0.774 5.094 4.320 0.000 0.000 0.327 394 A C -2.636 175.044 177.584 0.161 0.000 1.394 394 A CA -1.344 50.792 52.037 0.165 0.000 0.921 394 A CB -0.121 18.872 19.000 -0.011 0.000 1.153 394 A HN 0.504 nan 8.150 nan 0.000 0.523 395 P HA 0.340 nan 4.420 nan 0.000 0.297 395 P C -0.724 176.759 177.300 0.305 0.000 1.331 395 P CA -0.100 63.133 63.100 0.222 0.000 0.803 395 P CB 1.060 32.919 31.700 0.266 0.000 0.929 396 L N 5.034 126.347 121.223 0.150 0.000 2.287 396 L HA 0.382 4.722 4.340 0.000 0.000 0.280 396 L C 0.478 177.492 176.870 0.239 0.000 1.055 396 L CA -0.564 54.388 54.840 0.188 0.000 0.863 396 L CB -0.287 41.728 42.059 -0.074 0.000 1.245 396 L HN 0.268 nan 8.230 nan 0.000 0.432 397 F N 2.477 122.429 119.950 0.004 0.000 2.426 397 F HA 0.402 4.929 4.527 0.000 0.000 0.309 397 F C 0.876 176.822 175.800 0.244 0.000 1.246 397 F CA -0.271 57.694 58.000 -0.058 0.000 1.229 397 F CB 0.657 39.264 39.000 -0.655 0.000 1.255 397 F HN 0.427 nan 8.300 nan 0.000 0.558 398 R N 1.350 122.098 120.500 0.413 0.000 2.744 398 R HA 0.608 4.948 4.340 0.000 0.000 0.279 398 R C -1.864 174.678 176.300 0.402 0.000 0.977 398 R CA -0.580 55.710 56.100 0.316 0.000 0.906 398 R CB 1.812 32.072 30.300 -0.066 0.000 1.197 398 R HN 0.638 nan 8.270 nan 0.000 0.463 399 F N 0.306 120.331 119.950 0.124 0.000 2.662 399 F HA 0.772 5.299 4.527 0.000 0.000 0.312 399 F C -0.709 175.013 175.800 -0.130 0.000 1.113 399 F CA -0.445 57.590 58.000 0.059 0.000 0.951 399 F CB 1.524 40.606 39.000 0.137 0.000 1.344 399 F HN 0.517 nan 8.300 nan 0.000 0.462 400 A N 0.662 123.510 122.820 0.047 0.000 1.993 400 A HA 0.524 4.844 4.320 0.000 0.000 0.202 400 A C 0.542 178.201 177.584 0.125 0.000 1.461 400 A CA 0.834 52.800 52.037 -0.118 0.000 0.824 400 A CB -0.768 18.223 19.000 -0.014 0.000 1.024 400 A HN 1.005 nan 8.150 nan 0.000 0.507 401 S N -1.265 114.620 115.700 0.309 0.000 2.689 401 S HA 0.492 4.962 4.470 0.000 0.000 0.306 401 S C 0.467 175.326 174.600 0.432 0.000 1.104 401 S CA 0.054 58.464 58.200 0.349 0.000 0.973 401 S CB 1.788 65.115 63.200 0.211 0.000 1.121 401 S HN 0.327 nan 8.310 nan 0.000 0.523 402 E N 0.560 120.993 120.200 0.388 0.000 2.058 402 E HA -0.222 4.128 4.350 0.000 0.000 0.194 402 E C 1.851 178.552 176.600 0.169 0.000 0.997 402 E CA 1.401 58.011 56.400 0.349 0.000 0.801 402 E CB -0.155 29.702 29.700 0.262 0.000 0.746 402 E HN 0.811 nan 8.360 nan 0.000 0.450 403 E N 0.865 121.144 120.200 0.131 0.000 2.048 403 E HA -0.323 4.027 4.350 0.000 0.000 0.202 403 E C 2.054 178.678 176.600 0.041 0.000 1.021 403 E CA 1.736 58.179 56.400 0.072 0.000 0.825 403 E CB -0.214 29.529 29.700 0.072 0.000 0.756 403 E HN 0.305 nan 8.360 nan 0.000 0.454 404 E N 0.176 120.421 120.200 0.076 0.000 2.070 404 E HA -0.238 4.112 4.350 0.000 0.000 0.197 404 E C 2.473 179.043 176.600 -0.051 0.000 1.004 404 E CA 1.423 57.860 56.400 0.061 0.000 0.805 404 E CB -0.226 29.565 29.700 0.152 0.000 0.744 404 E HN 0.304 nan 8.360 nan 0.000 0.451 405 L N 0.398 121.518 121.223 -0.172 0.000 1.989 405 L HA -0.200 4.140 4.340 0.000 0.000 0.211 405 L C 2.382 179.001 176.870 -0.418 0.000 1.071 405 L CA 1.558 56.072 54.840 -0.542 0.000 0.749 405 L CB -0.504 40.989 42.059 -0.943 0.000 0.890 405 L HN 0.024 nan 8.230 nan 0.000 0.431 406 V N 0.244 120.022 119.914 -0.227 0.000 2.252 406 V HA -0.356 3.764 4.120 0.000 0.000 0.249 406 V C 2.800 178.800 176.094 -0.155 0.000 1.056 406 V CA 2.404 64.605 62.300 -0.165 0.000 1.022 406 V CB -0.902 30.876 31.823 -0.075 0.000 0.641 406 V HN 0.572 nan 8.190 nan 0.000 0.445 407 R N -0.575 119.859 120.500 -0.111 0.000 2.091 407 R HA -0.174 4.166 4.340 0.000 0.000 0.238 407 R C 2.198 178.441 176.300 -0.095 0.000 1.136 407 R CA 1.697 57.751 56.100 -0.076 0.000 0.959 407 R CB -0.246 30.035 30.300 -0.032 0.000 0.856 407 R HN 0.363 nan 8.270 nan 0.000 0.437 408 L N 0.375 121.515 121.223 -0.138 0.000 2.156 408 L HA 0.029 4.369 4.340 0.000 0.000 0.208 408 L C 2.421 179.106 176.870 -0.308 0.000 1.095 408 L CA 1.797 56.560 54.840 -0.128 0.000 0.770 408 L CB -0.737 41.316 42.059 -0.012 0.000 0.914 408 L HN 0.260 nan 8.230 nan 0.000 0.439 409 A N -0.643 121.856 122.820 -0.535 0.000 1.930 409 A HA -0.150 4.170 4.320 0.000 0.000 0.217 409 A C 1.985 179.495 177.584 -0.124 0.000 1.175 409 A CA 1.542 53.277 52.037 -0.503 0.000 0.627 409 A CB -0.448 18.239 19.000 -0.521 0.000 0.815 409 A HN 0.443 nan 8.150 nan 0.000 0.443 410 N N 0.310 118.944 118.700 -0.111 0.000 2.467 410 N HA -0.028 4.712 4.740 0.000 0.000 0.184 410 N C -0.074 175.390 175.510 -0.077 0.000 1.106 410 N CA 0.397 53.396 53.050 -0.085 0.000 0.892 410 N CB -0.162 38.265 38.487 -0.100 0.000 0.969 410 N HN 0.312 nan 8.380 nan 0.000 0.454 411 D N 0.841 121.210 120.400 -0.052 0.000 2.848 411 D HA 0.018 4.658 4.640 0.000 0.000 0.232 411 D C -0.485 175.812 176.300 -0.005 0.000 1.107 411 D CA 0.394 54.381 54.000 -0.022 0.000 1.020 411 D CB -0.373 40.434 40.800 0.010 0.000 1.148 411 D HN 0.001 nan 8.370 nan 0.000 0.453 412 T N -2.063 112.467 114.554 -0.041 0.000 2.830 412 T HA 0.463 4.813 4.350 0.000 0.000 0.322 412 T C 0.799 175.400 174.700 -0.164 0.000 1.501 412 T CA 0.144 62.218 62.100 -0.044 0.000 1.036 412 T CB 1.085 70.002 68.868 0.082 0.000 1.379 412 T HN -0.022 nan 8.240 nan 0.000 0.493 413 E N 1.881 121.881 120.200 -0.332 0.000 2.216 413 E HA 0.274 4.624 4.350 0.000 0.000 0.192 413 E C 0.305 176.632 176.600 -0.455 0.000 0.988 413 E CA 0.816 56.932 56.400 -0.472 0.000 0.834 413 E CB -0.330 28.967 29.700 -0.671 0.000 0.772 413 E HN 0.542 nan 8.360 nan 0.000 0.479 414 F N -0.698 119.215 119.950 -0.062 0.000 2.378 414 F HA 0.580 5.107 4.527 0.000 0.000 0.319 414 F C 1.388 177.054 175.800 -0.223 0.000 1.155 414 F CA -0.181 57.776 58.000 -0.071 0.000 1.157 414 F CB 1.828 40.838 39.000 0.017 0.000 1.252 414 F HN 0.025 nan 8.300 nan 0.000 0.550 415 G N 1.222 110.016 108.800 -0.010 0.000 4.574 415 G HA2 0.365 4.325 3.960 0.000 0.000 0.236 415 G HA3 0.365 4.325 3.960 0.000 0.000 0.236 415 G C -0.671 174.211 174.900 -0.031 0.000 1.733 415 G CA -0.160 44.714 45.100 -0.378 0.000 0.605 415 G HN 0.509 nan 8.290 nan 0.000 0.352 416 L N 1.243 122.591 121.223 0.208 0.000 2.415 416 L HA 0.889 5.229 4.340 0.000 0.000 0.194 416 L C 1.503 178.409 176.870 0.059 0.000 1.256 416 L CA 0.863 55.754 54.840 0.084 0.000 1.974 416 L CB -0.291 41.773 42.059 0.010 0.000 1.753 416 L HN 0.328 nan 8.230 nan 0.000 0.948 417 A N -0.602 122.136 122.820 -0.136 0.000 2.316 417 A HA 0.749 5.069 4.320 0.000 0.000 0.284 417 A C -0.652 176.462 177.584 -0.784 0.000 1.115 417 A CA 0.208 51.979 52.037 -0.444 0.000 0.812 417 A CB 0.204 18.925 19.000 -0.464 0.000 1.064 417 A HN 0.649 nan 8.150 nan 0.000 0.489 418 A N 0.642 122.839 122.820 -1.039 0.000 2.515 418 A HA 0.809 5.129 4.320 0.000 0.000 0.296 418 A C -1.640 175.281 177.584 -1.105 0.000 1.094 418 A CA -0.476 50.895 52.037 -1.110 0.000 0.718 418 A CB 1.035 19.375 19.000 -1.099 0.000 1.307 418 A HN 0.883 nan 8.150 nan 0.000 0.408 419 Y N -0.181 119.915 120.300 -0.339 0.000 2.457 419 Y HA 0.582 5.132 4.550 0.000 0.000 0.343 419 Y C -0.518 175.157 175.900 -0.375 0.000 0.994 419 Y CA -0.905 56.989 58.100 -0.343 0.000 1.031 419 Y CB 2.101 40.343 38.460 -0.363 0.000 1.246 419 Y HN 0.738 nan 8.280 nan 0.000 0.449 420 L N 0.352 121.474 121.223 -0.168 0.000 2.409 420 L HA 0.673 5.013 4.340 0.000 0.000 0.272 420 L C -1.994 174.825 176.870 -0.086 0.000 0.980 420 L CA -1.116 53.678 54.840 -0.076 0.000 0.826 420 L CB 1.351 43.402 42.059 -0.014 0.000 1.268 420 L HN 0.539 nan 8.230 nan 0.000 0.407 421 Y N 2.163 122.428 120.300 -0.059 0.000 2.417 421 Y HA 0.733 5.283 4.550 0.000 0.000 0.336 421 Y C 0.548 176.537 175.900 0.148 0.000 0.961 421 Y CA 0.130 58.240 58.100 0.017 0.000 1.215 421 Y CB 1.848 40.315 38.460 0.012 0.000 1.120 421 Y HN 0.905 nan 8.280 nan 0.000 0.499 422 S N 2.070 117.843 115.700 0.120 0.000 2.618 422 S HA 0.549 5.019 4.470 0.000 0.000 0.277 422 S C 0.092 174.696 174.600 0.007 0.000 1.138 422 S CA -0.699 57.543 58.200 0.071 0.000 0.844 422 S CB 1.713 64.834 63.200 -0.133 0.000 1.127 422 S HN 0.698 nan 8.310 nan 0.000 0.474 423 R N 0.934 121.438 120.500 0.007 0.000 2.344 423 R HA 0.363 4.703 4.340 0.000 0.000 0.209 423 R C -0.570 175.723 176.300 -0.013 0.000 0.886 423 R CA 0.133 56.237 56.100 0.007 0.000 1.040 423 R CB 0.130 30.450 30.300 0.034 0.000 1.114 423 R HN 0.662 nan 8.270 nan 0.000 0.547 424 D N 0.180 120.556 120.400 -0.040 0.000 2.317 424 D HA 0.010 4.650 4.640 0.000 0.000 0.252 424 D C 1.412 177.694 176.300 -0.031 0.000 1.174 424 D CA -0.083 53.892 54.000 -0.042 0.000 0.866 424 D CB 0.646 41.405 40.800 -0.069 0.000 1.127 424 D HN -0.053 nan 8.370 nan 0.000 0.467 425 I N 4.151 124.724 120.570 0.005 0.000 2.194 425 I HA -0.176 3.994 4.170 0.000 0.000 0.246 425 I C 1.658 177.830 176.117 0.091 0.000 1.093 425 I CA 1.703 63.041 61.300 0.063 0.000 1.355 425 I CB -0.750 37.275 38.000 0.041 0.000 1.046 425 I HN 0.649 nan 8.210 nan 0.000 0.413 426 G N 0.366 109.177 108.800 0.018 0.000 2.404 426 G HA2 -0.291 3.669 3.960 0.000 0.000 0.215 426 G HA3 -0.291 3.669 3.960 0.000 0.000 0.215 426 G C 1.865 176.772 174.900 0.011 0.000 1.174 426 G CA 0.757 45.866 45.100 0.014 0.000 0.780 426 G HN 0.365 nan 8.290 nan 0.000 0.537 427 R N -0.228 120.228 120.500 -0.074 0.000 2.096 427 R HA -0.041 4.299 4.340 0.000 0.000 0.235 427 R C 2.651 178.840 176.300 -0.186 0.000 1.127 427 R CA 1.338 57.321 56.100 -0.195 0.000 0.968 427 R CB -0.357 29.728 30.300 -0.359 0.000 0.861 427 R HN 0.257 nan 8.270 nan 0.000 0.440 428 V N -0.603 119.246 119.914 -0.109 0.000 2.295 428 V HA -0.257 3.863 4.120 0.000 0.000 0.246 428 V C 1.757 177.803 176.094 -0.081 0.000 1.049 428 V CA 1.888 64.125 62.300 -0.105 0.000 1.024 428 V CB -0.550 31.233 31.823 -0.068 0.000 0.648 428 V HN 0.470 nan 8.190 nan 0.000 0.447 429 W N 0.333 121.571 121.300 -0.103 0.000 2.388 429 W HA -0.050 4.610 4.660 -0.000 0.000 0.294 429 W C 2.776 179.252 176.519 -0.073 0.000 1.212 429 W CA 1.311 58.609 57.345 -0.078 0.000 1.271 429 W CB -0.255 29.166 29.460 -0.065 0.000 1.126 429 W HN 0.064 nan 8.180 nan 0.000 0.535 430 R N -0.499 120.079 120.500 0.129 0.000 2.070 430 R HA -0.146 4.194 4.340 0.000 0.000 0.233 430 R C 1.875 178.176 176.300 0.001 0.000 1.137 430 R CA 1.920 58.053 56.100 0.055 0.000 0.945 430 R CB -1.219 29.094 30.300 0.021 0.000 0.845 430 R HN 0.090 nan 8.270 nan 0.000 0.430 431 V N 1.056 120.947 119.914 -0.037 0.000 2.515 431 V HA -0.195 3.925 4.120 0.000 0.000 0.250 431 V C 2.423 178.474 176.094 -0.072 0.000 1.058 431 V CA 1.832 64.110 62.300 -0.037 0.000 1.064 431 V CB -0.672 31.147 31.823 -0.007 0.000 0.675 431 V HN 0.395 nan 8.190 nan 0.000 0.461 432 A N -0.294 122.451 122.820 -0.125 0.000 1.898 432 A HA -0.196 4.124 4.320 0.000 0.000 0.216 432 A C 2.208 179.704 177.584 -0.147 0.000 1.181 432 A CA 1.654 53.580 52.037 -0.186 0.000 0.620 432 A CB -0.374 18.428 19.000 -0.330 0.000 0.819 432 A HN 0.595 nan 8.150 nan 0.000 0.442 433 E N -0.222 119.917 120.200 -0.102 0.000 2.031 433 E HA -0.121 4.229 4.350 0.000 0.000 0.193 433 E C 2.382 178.959 176.600 -0.039 0.000 0.994 433 E CA 0.985 57.355 56.400 -0.049 0.000 0.800 433 E CB -0.305 29.411 29.700 0.027 0.000 0.752 433 E HN 0.587 nan 8.360 nan 0.000 0.447 434 A N 1.539 124.341 122.820 -0.029 0.000 1.902 434 A HA -0.107 4.213 4.320 0.000 0.000 0.217 434 A C 1.355 178.915 177.584 -0.040 0.000 1.181 434 A CA 0.595 52.614 52.037 -0.030 0.000 0.623 434 A CB -0.712 18.274 19.000 -0.022 0.000 0.818 434 A HN 0.121 nan 8.150 nan 0.000 0.443 435 L N 0.793 121.995 121.223 -0.035 0.000 2.525 435 L HA -0.025 4.315 4.340 0.000 0.000 0.278 435 L C 0.313 177.174 176.870 -0.014 0.000 1.218 435 L CA 0.143 54.987 54.840 0.008 0.000 0.878 435 L CB 0.305 42.389 42.059 0.041 0.000 1.127 435 L HN 0.404 nan 8.230 nan 0.000 0.492 436 E N 3.668 123.822 120.200 -0.076 0.000 2.464 436 E HA 0.164 4.514 4.350 0.000 0.000 0.260 436 E C -1.233 175.138 176.600 -0.382 0.000 1.318 436 E CA -0.148 56.134 56.400 -0.197 0.000 1.571 436 E CB 0.236 29.801 29.700 -0.225 0.000 1.525 436 E HN 0.359 nan 8.360 nan 0.000 0.449 437 Y N -1.361 118.855 120.300 -0.139 0.000 2.528 437 Y HA 0.391 4.941 4.550 0.000 0.000 0.335 437 Y C 1.549 177.349 175.900 -0.167 0.000 1.093 437 Y CA -0.702 57.303 58.100 -0.157 0.000 1.134 437 Y CB 1.580 39.919 38.460 -0.202 0.000 1.253 437 Y HN 0.159 nan 8.280 nan 0.000 0.478 438 G N 0.731 109.520 108.800 -0.017 0.000 2.683 438 G HA2 0.142 4.102 3.960 0.000 0.000 0.213 438 G HA3 0.142 4.102 3.960 0.000 0.000 0.213 438 G C -0.029 174.786 174.900 -0.141 0.000 1.142 438 G CA 0.138 45.181 45.100 -0.096 0.000 0.793 438 G HN 0.423 nan 8.290 nan 0.000 0.534 439 M N 0.683 120.185 119.600 -0.163 0.000 2.238 439 M HA 0.384 4.864 4.480 0.000 0.000 0.278 439 M C -1.805 174.318 176.300 -0.294 0.000 1.040 439 M CA -0.451 54.705 55.300 -0.241 0.000 0.969 439 M CB 3.335 35.736 32.600 -0.332 0.000 1.694 439 M HN -0.274 nan 8.290 nan 0.000 0.472 440 V N 1.867 121.619 119.914 -0.271 0.000 2.376 440 V HA 0.573 4.693 4.120 0.000 0.000 0.287 440 V C 0.413 176.352 176.094 -0.258 0.000 1.015 440 V CA -0.723 61.391 62.300 -0.310 0.000 0.834 440 V CB 1.735 33.404 31.823 -0.257 0.000 1.001 440 V HN 1.011 nan 8.190 nan 0.000 0.428 441 G N 5.451 114.099 108.800 -0.254 0.000 2.394 441 G HA2 0.530 4.490 3.960 0.000 0.000 0.298 441 G HA3 0.530 4.490 3.960 0.000 0.000 0.298 441 G C -0.323 174.500 174.900 -0.127 0.000 1.087 441 G CA -0.251 44.826 45.100 -0.038 0.000 1.035 441 G HN 0.685 nan 8.290 nan 0.000 0.420 442 I N 2.882 123.338 120.570 -0.188 0.000 2.291 442 I HA 0.086 4.256 4.170 0.000 0.000 0.292 442 I C 0.287 176.188 176.117 -0.361 0.000 1.064 442 I CA -0.586 60.554 61.300 -0.267 0.000 1.269 442 I CB 0.702 38.562 38.000 -0.233 0.000 1.418 442 I HN 0.497 nan 8.210 nan 0.000 0.485 443 N N 2.338 120.616 118.700 -0.704 0.000 2.708 443 N HA -0.188 4.552 4.740 0.000 0.000 0.251 443 N C -0.016 175.075 175.510 -0.700 0.000 1.123 443 N CA 1.283 53.651 53.050 -1.138 0.000 0.739 443 N CB -0.889 37.293 38.487 -0.508 0.000 1.113 443 N HN 0.688 nan 8.380 nan 0.000 0.561 444 T N -2.335 111.994 114.554 -0.374 0.000 2.916 444 T HA 0.593 4.943 4.350 0.000 0.000 0.305 444 T C 1.049 175.882 174.700 0.222 0.000 1.119 444 T CA 0.130 62.264 62.100 0.056 0.000 1.008 444 T CB 1.618 70.508 68.868 0.037 0.000 1.129 444 T HN 0.082 nan 8.240 nan 0.000 0.480 445 G N 2.340 111.302 108.800 0.270 0.000 2.796 445 G HA2 0.303 4.263 3.960 0.000 0.000 0.210 445 G HA3 0.303 4.263 3.960 0.000 0.000 0.210 445 G C 0.093 174.997 174.900 0.006 0.000 1.146 445 G CA 0.053 45.210 45.100 0.095 0.000 0.779 445 G HN 0.556 nan 8.290 nan 0.000 0.535 446 L N 1.158 122.442 121.223 0.101 0.000 2.313 446 L HA 0.517 4.857 4.340 0.000 0.000 0.283 446 L C 0.473 177.416 176.870 0.122 0.000 1.013 446 L CA -0.674 54.227 54.840 0.102 0.000 0.816 446 L CB 1.961 44.068 42.059 0.080 0.000 1.236 446 L HN 0.258 nan 8.230 nan 0.000 0.419 447 I N -2.007 118.647 120.570 0.140 0.000 4.442 447 I HA 0.283 4.453 4.170 0.000 0.000 0.331 447 I C -0.122 176.063 176.117 0.113 0.000 1.364 447 I CA -0.124 61.240 61.300 0.108 0.000 1.207 447 I CB 0.990 39.047 38.000 0.095 0.000 1.298 447 I HN 0.316 nan 8.210 nan 0.000 0.463 448 S N 3.083 118.878 115.700 0.159 0.000 2.452 448 S HA 0.631 5.101 4.470 0.000 0.000 0.284 448 S C -0.373 174.433 174.600 0.343 0.000 1.171 448 S CA -0.487 57.886 58.200 0.289 0.000 1.064 448 S CB 0.531 63.853 63.200 0.204 0.000 0.967 448 S HN 0.745 nan 8.310 nan 0.000 0.484 449 N N 0.548 119.434 118.700 0.310 0.000 3.277 449 N HA 0.262 5.002 4.740 0.000 0.000 0.278 449 N C 0.255 175.608 175.510 -0.262 0.000 1.544 449 N CA -0.938 52.163 53.050 0.085 0.000 0.869 449 N CB 0.543 39.007 38.487 -0.037 0.000 1.584 449 N HN 0.346 nan 8.380 nan 0.000 0.564 450 E N -0.254 119.527 120.200 -0.697 0.000 2.250 450 E HA -0.051 4.299 4.350 0.000 0.000 0.192 450 E C 1.384 177.124 176.600 -1.434 0.000 0.986 450 E CA 1.159 56.765 56.400 -1.324 0.000 0.849 450 E CB -0.216 28.645 29.700 -1.398 0.000 0.797 450 E HN 0.438 nan 8.360 nan 0.000 0.482 451 V N 0.609 119.844 119.914 -1.132 0.000 2.719 451 V HA 0.290 4.410 4.120 0.000 0.000 0.252 451 V C 1.115 176.874 176.094 -0.558 0.000 1.065 451 V CA 0.726 62.321 62.300 -1.176 0.000 1.086 451 V CB -0.367 31.042 31.823 -0.689 0.000 0.700 451 V HN 0.272 nan 8.190 nan 0.000 0.467 452 A N 1.852 124.465 122.820 -0.344 0.000 2.331 452 A HA 0.701 5.021 4.320 0.000 0.000 0.283 452 A C -2.526 175.037 177.584 -0.035 0.000 1.142 452 A CA -1.625 50.338 52.037 -0.123 0.000 0.812 452 A CB 0.106 19.070 19.000 -0.060 0.000 1.074 452 A HN 0.447 nan 8.150 nan 0.000 0.497 453 P HA 0.129 nan 4.420 nan 0.000 0.268 453 P C -0.842 176.514 177.300 0.095 0.000 1.485 453 P CA 0.175 63.324 63.100 0.082 0.000 1.102 453 P CB -0.334 31.381 31.700 0.025 0.000 1.501 454 F N 4.314 124.280 119.950 0.028 0.000 2.445 454 F HA 0.587 5.114 4.527 0.000 0.000 0.359 454 F C 0.799 176.615 175.800 0.027 0.000 1.101 454 F CA 0.739 58.761 58.000 0.036 0.000 1.177 454 F CB 0.308 39.367 39.000 0.099 0.000 1.110 454 F HN 0.483 nan 8.300 nan 0.000 0.522 455 G N 2.811 111.599 108.800 -0.020 0.000 2.321 455 G HA2 0.487 4.447 3.960 0.000 0.000 0.296 455 G HA3 0.487 4.447 3.960 0.000 0.000 0.296 455 G C -1.307 173.535 174.900 -0.097 0.000 1.287 455 G CA -0.240 44.889 45.100 0.049 0.000 0.846 455 G HN 1.019 nan 8.290 nan 0.000 0.508 456 G N -1.845 106.937 108.800 -0.030 0.000 3.015 456 G HA2 0.956 4.916 3.960 0.000 0.000 0.281 456 G HA3 0.956 4.916 3.960 0.000 0.000 0.281 456 G C -0.318 174.557 174.900 -0.042 0.000 1.386 456 G CA 0.323 45.397 45.100 -0.044 0.000 0.959 456 G HN 1.876 nan 8.290 nan 0.000 0.522 457 V N -3.152 116.725 119.914 -0.062 0.000 3.229 457 V HA 0.821 4.941 4.120 0.000 0.000 0.310 457 V C 1.026 177.080 176.094 -0.067 0.000 1.206 457 V CA -0.069 62.186 62.300 -0.075 0.000 1.051 457 V CB 0.940 32.695 31.823 -0.114 0.000 1.183 457 V HN 1.047 nan 8.190 nan 0.000 0.466 458 K N -1.097 119.256 120.400 -0.079 0.000 2.554 458 K HA -0.264 4.056 4.320 0.000 0.000 0.167 458 K C 1.237 177.813 176.600 -0.040 0.000 0.814 458 K CA 2.355 58.592 56.287 -0.083 0.000 0.416 458 K CB -1.299 31.119 32.500 -0.137 0.000 0.752 458 K HN 0.827 nan 8.250 nan 0.000 0.770 459 Q N 0.163 119.949 119.800 -0.024 0.000 2.282 459 Q HA 0.225 4.565 4.340 0.000 0.000 0.206 459 Q C 1.162 177.290 176.000 0.214 0.000 0.878 459 Q CA 0.568 56.402 55.803 0.052 0.000 0.944 459 Q CB 1.226 29.914 28.738 -0.084 0.000 1.100 459 Q HN 0.360 nan 8.270 nan 0.000 0.509 460 S N -0.170 115.630 115.700 0.166 0.000 2.496 460 S HA 0.281 4.751 4.470 0.000 0.000 0.224 460 S C 1.061 175.726 174.600 0.108 0.000 0.996 460 S CA 0.631 58.923 58.200 0.153 0.000 0.927 460 S CB 0.392 63.650 63.200 0.097 0.000 0.774 460 S HN 0.611 nan 8.310 nan 0.000 0.524 461 G N 0.506 109.353 108.800 0.078 0.000 2.301 461 G HA2 0.019 3.979 3.960 0.000 0.000 0.194 461 G HA3 0.019 3.979 3.960 0.000 0.000 0.194 461 G C -1.625 173.297 174.900 0.037 0.000 1.266 461 G CA -0.808 44.335 45.100 0.071 0.000 1.210 461 G HN 0.242 nan 8.290 nan 0.000 0.524 462 L N 0.443 121.691 121.223 0.041 0.000 2.469 462 L HA 0.676 5.016 4.340 0.000 0.000 0.256 462 L C 0.867 177.754 176.870 0.029 0.000 1.006 462 L CA -0.081 54.772 54.840 0.021 0.000 0.832 462 L CB 1.895 43.962 42.059 0.015 0.000 1.421 462 L HN 2.595 nan 8.230 nan 0.000 0.410 463 G N 1.547 110.356 108.800 0.016 0.000 2.855 463 G HA2 -0.113 3.847 3.960 0.000 0.000 0.352 463 G HA3 -0.113 3.847 3.960 0.000 0.000 0.352 463 G C -1.195 173.737 174.900 0.052 0.000 1.415 463 G CA -0.735 44.383 45.100 0.031 0.000 0.871 463 G HN 0.514 nan 8.290 nan 0.000 0.543 464 R N 0.180 120.736 120.500 0.093 0.000 2.808 464 R HA 0.641 4.981 4.340 0.000 0.000 0.272 464 R C -0.663 175.779 176.300 0.236 0.000 0.995 464 R CA -0.726 55.458 56.100 0.138 0.000 0.917 464 R CB 1.836 32.175 30.300 0.065 0.000 1.217 464 R HN 0.749 nan 8.270 nan 0.000 0.471 465 E N 0.210 120.584 120.200 0.290 0.000 2.241 465 E HA 0.568 4.918 4.350 0.000 0.000 0.263 465 E C -0.460 176.401 176.600 0.434 0.000 0.882 465 E CA -0.582 56.033 56.400 0.358 0.000 0.769 465 E CB 2.239 32.075 29.700 0.226 0.000 1.185 465 E HN 0.832 nan 8.360 nan 0.000 0.415 466 G N 2.336 111.474 108.800 0.563 0.000 2.603 466 G HA2 0.081 4.041 3.960 0.000 0.000 0.686 466 G HA3 0.081 4.041 3.960 0.000 0.000 0.686 466 G C -0.103 174.779 174.900 -0.030 0.000 1.286 466 G CA -0.270 44.886 45.100 0.094 0.000 0.871 466 G HN 1.527 nan 8.290 nan 0.000 0.568 467 S N -2.037 113.378 115.700 -0.476 0.000 3.654 467 S HA -0.211 4.259 4.470 0.000 0.000 0.640 467 S C 0.999 175.754 174.600 0.259 0.000 2.223 467 S CA 1.552 59.679 58.200 -0.121 0.000 2.391 467 S CB -1.087 62.101 63.200 -0.020 0.000 0.328 467 S HN 2.739 nan 8.310 nan 0.000 1.790 468 H N 0.775 119.952 119.070 0.178 0.000 2.556 468 H HA 0.165 4.721 4.556 0.000 0.000 0.273 468 H C 1.025 176.342 175.328 -0.017 0.000 1.030 468 H CA 1.081 57.158 56.048 0.049 0.000 1.156 468 H CB -0.529 29.172 29.762 -0.102 0.000 1.326 468 H HN 0.677 nan 8.280 nan 0.000 0.609 469 Y N 0.663 120.924 120.300 -0.066 0.000 2.559 469 Y HA 0.256 4.806 4.550 0.000 0.000 0.279 469 Y C 2.792 178.803 175.900 0.184 0.000 1.117 469 Y CA 0.488 58.580 58.100 -0.013 0.000 1.263 469 Y CB -0.125 38.267 38.460 -0.114 0.000 1.230 469 Y HN 0.340 nan 8.280 nan 0.000 0.528 470 G N 0.072 109.153 108.800 0.469 0.000 2.479 470 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 470 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 470 G C 1.532 176.770 174.900 0.563 0.000 1.115 470 G CA 1.036 46.479 45.100 0.573 0.000 0.757 470 G HN 0.455 nan 8.290 nan 0.000 0.560 471 I N -0.540 120.386 120.570 0.594 0.000 3.728 471 I HA 0.118 4.288 4.170 0.000 0.000 0.307 471 I C 1.719 178.042 176.117 0.343 0.000 1.276 471 I CA 0.206 61.778 61.300 0.453 0.000 1.285 471 I CB 0.200 38.492 38.000 0.487 0.000 1.038 471 I HN -0.077 nan 8.210 nan 0.000 0.445 472 D N 1.206 121.792 120.400 0.310 0.000 2.084 472 D HA -0.181 4.459 4.640 0.000 0.000 0.196 472 D C 1.439 177.859 176.300 0.200 0.000 0.985 472 D CA 1.364 55.505 54.000 0.234 0.000 0.826 472 D CB -0.065 40.871 40.800 0.226 0.000 0.978 472 D HN 0.244 nan 8.370 nan 0.000 0.456 473 D N -1.016 119.495 120.400 0.185 0.000 2.392 473 D HA -0.099 4.541 4.640 0.000 0.000 0.228 473 D C 1.018 177.301 176.300 -0.029 0.000 1.003 473 D CA 0.385 54.421 54.000 0.060 0.000 0.917 473 D CB -0.116 40.684 40.800 -0.000 0.000 0.890 473 D HN 0.386 nan 8.370 nan 0.000 0.532 474 Y N -0.365 119.976 120.300 0.068 0.000 2.462 474 Y HA 0.093 4.643 4.550 0.000 0.000 0.261 474 Y C 0.926 176.873 175.900 0.079 0.000 1.146 474 Y CA -0.280 57.850 58.100 0.050 0.000 1.283 474 Y CB 0.676 39.149 38.460 0.022 0.000 1.090 474 Y HN -0.195 nan 8.280 nan 0.000 0.526 475 V N -2.620 117.425 119.914 0.218 0.000 3.046 475 V HA 0.753 4.873 4.120 0.000 0.000 0.316 475 V C -0.915 175.260 176.094 0.134 0.000 1.104 475 V CA -1.233 61.175 62.300 0.180 0.000 1.006 475 V CB 1.888 33.816 31.823 0.175 0.000 1.058 475 V HN -0.319 nan 8.190 nan 0.000 0.440 476 V N 3.693 123.687 119.914 0.132 0.000 2.680 476 V HA 0.648 4.768 4.120 0.000 0.000 0.309 476 V C -0.210 175.948 176.094 0.107 0.000 1.052 476 V CA -0.685 61.681 62.300 0.109 0.000 0.908 476 V CB 1.650 33.536 31.823 0.105 0.000 1.001 476 V HN 1.137 nan 8.190 nan 0.000 0.431 477 I N 4.843 125.470 120.570 0.095 0.000 2.396 477 I HA 0.568 4.738 4.170 0.000 0.000 0.292 477 I C -0.446 175.732 176.117 0.100 0.000 0.999 477 I CA -0.189 61.168 61.300 0.095 0.000 1.310 477 I CB 0.897 38.949 38.000 0.088 0.000 1.404 477 I HN 0.747 nan 8.210 nan 0.000 0.496 478 K N 6.396 126.858 120.400 0.104 0.000 2.450 478 K HA 0.252 4.572 4.320 0.000 0.000 0.257 478 K C -1.565 175.130 176.600 0.157 0.000 0.953 478 K CA -0.744 55.609 56.287 0.109 0.000 0.844 478 K CB 1.062 33.606 32.500 0.073 0.000 1.103 478 K HN 0.664 nan 8.250 nan 0.000 0.429 479 Y N 5.341 125.658 120.300 0.028 0.000 2.309 479 Y HA 0.386 4.936 4.550 -0.000 0.000 0.327 479 Y C -1.363 174.548 175.900 0.018 0.000 1.172 479 Y CA -0.630 57.484 58.100 0.022 0.000 1.280 479 Y CB 0.592 39.065 38.460 0.021 0.000 1.234 479 Y HN 0.458 nan 8.280 nan 0.000 0.512 480 L N 7.191 128.290 121.223 -0.206 0.000 2.406 480 L HA 0.392 4.732 4.340 0.000 0.000 0.272 480 L C -0.869 175.711 176.870 -0.484 0.000 0.980 480 L CA -0.723 53.894 54.840 -0.371 0.000 0.831 480 L CB 1.641 43.629 42.059 -0.119 0.000 1.253 480 L HN 0.700 nan 8.230 nan 0.000 0.406 481 C N 4.110 123.046 119.300 -0.605 0.000 2.350 481 C HA 0.797 5.257 4.460 0.000 0.000 0.348 481 C C 0.040 174.954 174.990 -0.126 0.000 1.260 481 C CA -0.220 58.625 59.018 -0.288 0.000 1.966 481 C CB 0.779 28.363 27.740 -0.261 0.000 2.380 481 C HN 0.595 nan 8.230 nan 0.000 0.535 482 V N 5.949 125.838 119.914 -0.042 0.000 2.525 482 V HA 0.624 4.744 4.120 0.000 0.000 0.299 482 V C 0.484 176.573 176.094 -0.007 0.000 1.034 482 V CA -0.478 61.806 62.300 -0.027 0.000 0.863 482 V CB 1.092 32.905 31.823 -0.017 0.000 0.999 482 V HN 1.168 nan 8.190 nan 0.000 0.423 483 A N 4.419 127.232 122.820 -0.011 0.000 2.351 483 A HA 0.814 5.134 4.320 0.000 0.000 0.257 483 A C -0.178 177.405 177.584 -0.001 0.000 1.087 483 A CA -0.115 51.921 52.037 -0.003 0.000 0.798 483 A CB 0.913 19.909 19.000 -0.006 0.000 1.033 483 A HN 0.760 nan 8.150 nan 0.000 0.488 484 V N 0.000 119.916 119.914 0.003 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.302 62.300 0.003 0.000 1.235 484 V CB 0.000 31.826 31.823 0.006 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556