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 3ifg_1_L 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 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.870 174.900 -0.050 0.000 0.946 3 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 4 S N 0.696 116.366 115.700 -0.049 0.000 2.499 4 S HA 0.720 5.189 4.470 -0.001 0.000 0.238 4 S C 0.113 174.690 174.600 -0.039 0.000 1.205 4 S CA -0.427 57.751 58.200 -0.037 0.000 1.203 4 S CB -0.183 63.000 63.200 -0.028 0.000 0.954 4 S HN 0.291 nan 8.310 nan 0.000 0.484 5 M N 0.980 120.552 119.600 -0.048 0.000 2.664 5 M HA 0.510 4.989 4.480 -0.001 0.000 0.314 5 M C 0.806 177.083 176.300 -0.038 0.000 1.200 5 M CA -0.747 54.525 55.300 -0.046 0.000 0.916 5 M CB 1.923 34.484 32.600 -0.065 0.000 1.717 5 M HN 0.013 nan 8.290 nan 0.000 0.470 6 K N 0.047 120.430 120.400 -0.028 0.000 2.103 6 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 6 K C 0.014 176.601 176.600 -0.021 0.000 1.052 6 K CA 1.003 57.278 56.287 -0.020 0.000 0.945 6 K CB 0.121 32.614 32.500 -0.012 0.000 0.722 6 K HN 0.462 nan 8.250 nan 0.000 0.443 7 D N -0.056 120.328 120.400 -0.027 0.000 2.438 7 D HA 0.163 4.802 4.640 -0.001 0.000 0.257 7 D C -2.336 173.917 176.300 -0.078 0.000 1.148 7 D CA -2.451 51.530 54.000 -0.032 0.000 0.902 7 D CB 1.428 42.231 40.800 0.005 0.000 1.062 7 D HN -0.193 nan 8.370 nan 0.000 0.518 8 P HA -0.050 nan 4.420 nan 0.000 0.230 8 P C 1.002 178.180 177.300 -0.204 0.000 1.158 8 P CA 0.602 63.623 63.100 -0.133 0.000 0.769 8 P CB 0.202 31.838 31.700 -0.105 0.000 0.807 9 S N -1.592 113.968 115.700 -0.234 0.000 2.603 9 S HA 0.060 4.529 4.470 -0.001 0.000 0.220 9 S C 1.636 175.834 174.600 -0.670 0.000 0.967 9 S CA 0.167 58.118 58.200 -0.415 0.000 0.920 9 S CB -1.252 61.722 63.200 -0.377 0.000 0.773 9 S HN 0.107 nan 8.310 nan 0.000 0.529 10 L N 0.123 121.098 121.223 -0.413 0.000 2.201 10 L HA 0.160 4.499 4.340 -0.001 0.000 0.212 10 L C 0.745 177.403 176.870 -0.354 0.000 1.105 10 L CA 0.448 55.084 54.840 -0.340 0.000 0.775 10 L CB -0.203 41.785 42.059 -0.119 0.000 0.913 10 L HN 0.347 nan 8.230 nan 0.000 0.440 11 L N 1.556 122.554 121.223 -0.376 0.000 2.312 11 L HA 0.211 4.550 4.340 -0.001 0.000 0.287 11 L C 0.085 176.648 176.870 -0.513 0.000 1.091 11 L CA 0.176 54.747 54.840 -0.448 0.000 0.846 11 L CB 0.011 41.803 42.059 -0.446 0.000 1.219 11 L HN -0.012 nan 8.230 nan 0.000 0.439 12 R N 3.698 123.915 120.500 -0.471 0.000 2.573 12 R HA 0.413 4.753 4.340 -0.001 0.000 0.272 12 R C -0.033 176.029 176.300 -0.397 0.000 1.009 12 R CA -0.523 55.333 56.100 -0.407 0.000 1.059 12 R CB 0.775 30.879 30.300 -0.326 0.000 1.112 12 R HN 0.589 nan 8.270 nan 0.000 0.517 13 H N -0.107 118.946 119.070 -0.029 0.000 3.052 13 H HA 0.285 4.840 4.556 -0.001 0.000 0.257 13 H C -0.254 175.109 175.328 0.059 0.000 1.193 13 H CA -0.024 56.052 56.048 0.046 0.000 1.072 13 H CB 1.589 31.340 29.762 -0.018 0.000 1.685 13 H HN 0.401 nan 8.280 nan 0.000 0.630 14 Q N 0.083 120.004 119.800 0.202 0.000 2.484 14 Q HA 0.728 5.067 4.340 -0.001 0.000 0.285 14 Q C -0.686 175.561 176.000 0.411 0.000 1.097 14 Q CA -0.970 55.002 55.803 0.282 0.000 0.802 14 Q CB 3.191 32.138 28.738 0.347 0.000 1.444 14 Q HN 0.226 nan 8.270 nan 0.000 0.429 15 A N 0.455 123.462 122.820 0.311 0.000 2.264 15 A HA 0.472 4.791 4.320 -0.001 0.000 0.304 15 A C -1.658 176.028 177.584 0.170 0.000 1.100 15 A CA -0.172 52.011 52.037 0.244 0.000 0.839 15 A CB 0.487 19.557 19.000 0.118 0.000 1.121 15 A HN 0.658 nan 8.150 nan 0.000 0.496 16 Y N 1.918 122.089 120.300 -0.215 0.000 2.721 16 Y HA 0.457 5.006 4.550 -0.001 0.000 0.328 16 Y C -0.850 174.844 175.900 -0.342 0.000 1.003 16 Y CA -1.387 56.363 58.100 -0.583 0.000 1.275 16 Y CB 0.584 38.558 38.460 -0.810 0.000 1.097 16 Y HN 0.364 nan 8.280 nan 0.000 0.514 17 I N 4.960 125.246 120.570 -0.474 0.000 2.330 17 I HA 0.293 4.462 4.170 -0.001 0.000 0.286 17 I C 1.087 176.938 176.117 -0.444 0.000 1.025 17 I CA -0.615 60.478 61.300 -0.344 0.000 1.197 17 I CB 0.679 38.571 38.000 -0.180 0.000 1.358 17 I HN 0.858 nan 8.210 nan 0.000 0.467 18 G N 4.939 113.476 108.800 -0.438 0.000 2.379 18 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.297 18 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.297 18 G C 1.007 175.610 174.900 -0.495 0.000 1.004 18 G CA 0.866 45.732 45.100 -0.389 0.000 0.921 18 G HN 1.593 nan 8.290 nan 0.000 0.511 19 G N -1.863 106.384 108.800 -0.920 0.000 2.131 19 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.223 19 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.223 19 G C -0.135 174.374 174.900 -0.651 0.000 0.990 19 G CA 0.653 45.233 45.100 -0.866 0.000 0.671 19 G HN 1.046 nan 8.290 nan 0.000 0.521 20 E N -1.143 118.624 120.200 -0.721 0.000 2.272 20 E HA 0.452 4.801 4.350 -0.001 0.000 0.269 20 E C -0.790 175.611 176.600 -0.333 0.000 0.877 20 E CA -1.052 55.143 56.400 -0.341 0.000 0.755 20 E CB 1.241 30.839 29.700 -0.170 0.000 1.192 20 E HN 0.268 nan 8.360 nan 0.000 0.422 21 W N 2.699 124.078 121.300 0.132 0.000 2.388 21 W HA 0.202 4.861 4.660 -0.001 0.000 0.308 21 W C 0.384 176.952 176.519 0.082 0.000 1.263 21 W CA -0.177 57.267 57.345 0.164 0.000 1.286 21 W CB 0.590 30.161 29.460 0.186 0.000 1.294 21 W HN 0.224 nan 8.180 nan 0.000 0.493 22 Q N 2.009 121.948 119.800 0.232 0.000 2.413 22 Q HA 0.747 5.086 4.340 -0.001 0.000 0.276 22 Q C -0.428 175.648 176.000 0.126 0.000 1.099 22 Q CA -1.065 54.814 55.803 0.127 0.000 0.814 22 Q CB 2.474 31.235 28.738 0.039 0.000 1.379 22 Q HN 0.542 nan 8.270 nan 0.000 0.436 23 A N 0.811 123.684 122.820 0.088 0.000 2.264 23 A HA 0.771 5.090 4.320 -0.001 0.000 0.304 23 A C -0.372 177.243 177.584 0.050 0.000 1.100 23 A CA -0.267 51.811 52.037 0.069 0.000 0.839 23 A CB 0.618 19.650 19.000 0.054 0.000 1.121 23 A HN 0.762 nan 8.150 nan 0.000 0.496 24 A N 0.545 123.392 122.820 0.045 0.000 2.498 24 A HA 0.293 4.612 4.320 -0.001 0.000 0.239 24 A C 0.623 178.227 177.584 0.033 0.000 1.068 24 A CA 0.156 52.217 52.037 0.040 0.000 0.766 24 A CB -0.182 18.847 19.000 0.047 0.000 1.003 24 A HN 0.795 nan 8.150 nan 0.000 0.497 25 D N 1.066 121.482 120.400 0.027 0.000 2.280 25 D HA -0.148 4.491 4.640 -0.001 0.000 0.206 25 D C 1.811 178.124 176.300 0.021 0.000 0.988 25 D CA 2.244 56.256 54.000 0.021 0.000 0.886 25 D CB 0.010 40.819 40.800 0.016 0.000 0.914 25 D HN 0.642 nan 8.370 nan 0.000 0.473 26 S N -1.402 114.314 115.700 0.026 0.000 2.578 26 S HA 0.145 4.614 4.470 -0.001 0.000 0.231 26 S C 0.490 175.106 174.600 0.026 0.000 0.994 26 S CA 0.171 58.386 58.200 0.025 0.000 0.956 26 S CB 0.733 63.950 63.200 0.027 0.000 0.870 26 S HN -0.015 nan 8.310 nan 0.000 0.494 27 D N 0.692 121.109 120.400 0.028 0.000 3.059 27 D HA -0.177 4.462 4.640 -0.001 0.000 0.220 27 D C 0.244 176.561 176.300 0.028 0.000 1.169 27 D CA 0.940 54.956 54.000 0.026 0.000 0.902 27 D CB -1.403 39.408 40.800 0.020 0.000 1.116 27 D HN 0.862 nan 8.370 nan 0.000 0.417 28 A N 0.058 122.901 122.820 0.038 0.000 2.440 28 A HA 0.564 4.883 4.320 -0.001 0.000 0.251 28 A C 0.807 178.424 177.584 0.056 0.000 1.089 28 A CA 0.860 52.928 52.037 0.052 0.000 0.779 28 A CB 0.555 19.593 19.000 0.064 0.000 1.022 28 A HN 0.520 nan 8.150 nan 0.000 0.492 29 T N -0.567 114.023 114.554 0.059 0.000 2.883 29 T HA 0.751 5.100 4.350 -0.001 0.000 0.301 29 T C -0.504 174.259 174.700 0.104 0.000 1.158 29 T CA -0.557 61.552 62.100 0.015 0.000 1.007 29 T CB 1.237 70.079 68.868 -0.042 0.000 1.186 29 T HN 1.190 nan 8.240 nan 0.000 0.499 30 F N -0.978 118.973 119.950 0.001 0.000 2.618 30 F HA 0.884 5.411 4.527 -0.001 0.000 0.332 30 F C -0.292 175.471 175.800 -0.062 0.000 1.061 30 F CA -1.363 56.629 58.000 -0.013 0.000 0.974 30 F CB 1.352 40.348 39.000 -0.006 0.000 1.310 30 F HN 0.737 nan 8.300 nan 0.000 0.491 31 E N 0.885 121.144 120.200 0.098 0.000 2.204 31 E HA 0.598 4.947 4.350 -0.001 0.000 0.276 31 E C -1.576 174.794 176.600 -0.382 0.000 0.974 31 E CA -1.020 55.230 56.400 -0.251 0.000 0.815 31 E CB 2.127 31.596 29.700 -0.385 0.000 1.119 31 E HN 0.598 nan 8.360 nan 0.000 0.393 32 V N 4.728 124.378 119.914 -0.439 0.000 2.435 32 V HA 0.410 4.529 4.120 -0.001 0.000 0.290 32 V C -0.733 175.125 176.094 -0.395 0.000 1.030 32 V CA -0.577 61.550 62.300 -0.289 0.000 0.881 32 V CB 0.632 32.357 31.823 -0.163 0.000 0.983 32 V HN 0.513 nan 8.190 nan 0.000 0.445 33 F N 1.435 121.440 119.950 0.091 0.000 2.522 33 F HA 0.435 4.961 4.527 -0.001 0.000 0.324 33 F C 0.409 176.226 175.800 0.028 0.000 1.077 33 F CA -0.999 57.035 58.000 0.057 0.000 0.944 33 F CB 1.122 40.138 39.000 0.027 0.000 1.175 33 F HN 0.411 nan 8.300 nan 0.000 0.468 34 D N 4.286 124.800 120.400 0.190 0.000 2.358 34 D HA 0.083 4.722 4.640 -0.001 0.000 0.258 34 D C -1.566 174.727 176.300 -0.013 0.000 1.223 34 D CA -1.877 52.164 54.000 0.069 0.000 0.886 34 D CB 1.259 42.080 40.800 0.035 0.000 1.120 34 D HN 0.185 nan 8.370 nan 0.000 0.482 35 P HA -0.024 nan 4.420 nan 0.000 0.234 35 P C 0.549 177.677 177.300 -0.287 0.000 1.167 35 P CA 0.379 63.392 63.100 -0.145 0.000 0.763 35 P CB 0.361 31.972 31.700 -0.149 0.000 0.835 36 A N -0.166 122.493 122.820 -0.268 0.000 2.169 36 A HA 0.112 4.431 4.320 -0.001 0.000 0.210 36 A C 1.850 179.231 177.584 -0.339 0.000 1.168 36 A CA 1.519 53.389 52.037 -0.278 0.000 0.813 36 A CB -0.609 18.378 19.000 -0.021 0.000 0.861 36 A HN 0.335 nan 8.150 nan 0.000 0.481 37 T N -7.049 107.233 114.554 -0.454 0.000 2.992 37 T HA 0.425 4.775 4.350 -0.001 0.000 0.255 37 T C 1.445 175.924 174.700 -0.367 0.000 0.938 37 T CA 1.098 62.953 62.100 -0.409 0.000 0.895 37 T CB 0.344 69.165 68.868 -0.078 0.000 1.221 37 T HN 1.632 nan 8.240 nan 0.000 0.512 38 G N 2.486 111.125 108.800 -0.268 0.000 2.199 38 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.254 38 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.254 38 G C -0.078 174.882 174.900 0.099 0.000 0.982 38 G CA 0.257 45.330 45.100 -0.045 0.000 0.632 38 G HN 1.060 nan 8.290 nan 0.000 0.529 39 E N 0.896 121.163 120.200 0.112 0.000 2.366 39 E HA 0.553 4.903 4.350 -0.001 0.000 0.266 39 E C 0.318 177.077 176.600 0.265 0.000 1.051 39 E CA 0.067 56.571 56.400 0.173 0.000 0.884 39 E CB 1.251 31.009 29.700 0.097 0.000 1.006 39 E HN 0.213 nan 8.360 nan 0.000 0.417 40 S N 0.348 116.206 115.700 0.262 0.000 2.568 40 S HA 0.184 4.653 4.470 -0.001 0.000 0.282 40 S C 0.587 175.215 174.600 0.046 0.000 1.338 40 S CA 0.212 58.484 58.200 0.119 0.000 1.045 40 S CB 0.455 63.693 63.200 0.063 0.000 0.873 40 S HN 0.617 nan 8.310 nan 0.000 0.516 41 L N 2.532 123.761 121.223 0.009 0.000 2.808 41 L HA 0.691 5.031 4.340 -0.001 0.000 0.246 41 L C 1.211 178.156 176.870 0.124 0.000 1.153 41 L CA 0.619 55.495 54.840 0.061 0.000 0.956 41 L CB -1.414 40.740 42.059 0.157 0.000 1.270 41 L HN 1.381 nan 8.230 nan 0.000 0.528 42 G N -0.810 108.037 108.800 0.077 0.000 2.466 42 G HA2 0.333 4.292 3.960 -0.001 0.000 0.316 42 G HA3 0.333 4.292 3.960 -0.001 0.000 0.316 42 G C -0.032 174.938 174.900 0.117 0.000 1.270 42 G CA 0.321 45.474 45.100 0.088 0.000 0.982 42 G HN 1.850 nan 8.290 nan 0.000 0.506 43 T N -2.682 111.956 114.554 0.140 0.000 2.926 43 T HA 0.962 5.311 4.350 -0.001 0.000 0.289 43 T C 0.114 174.861 174.700 0.078 0.000 1.054 43 T CA 0.173 62.282 62.100 0.015 0.000 1.015 43 T CB 1.704 70.527 68.868 -0.076 0.000 1.167 43 T HN 2.291 nan 8.240 nan 0.000 0.526 44 V N -3.053 116.691 119.914 -0.283 0.000 3.130 44 V HA 0.786 4.905 4.120 -0.001 0.000 0.310 44 V C -3.231 172.643 176.094 -0.368 0.000 1.158 44 V CA -3.208 58.903 62.300 -0.315 0.000 1.029 44 V CB 1.288 32.812 31.823 -0.497 0.000 1.057 44 V HN 0.748 nan 8.190 nan 0.000 0.436 45 P HA 0.194 nan 4.420 nan 0.000 0.268 45 P C -0.879 176.426 177.300 0.009 0.000 1.205 45 P CA 0.016 63.085 63.100 -0.051 0.000 0.771 45 P CB 0.366 32.082 31.700 0.025 0.000 0.858 46 K N 3.963 124.436 120.400 0.121 0.000 2.403 46 K HA 0.259 4.578 4.320 -0.001 0.000 0.235 46 K C -0.024 176.663 176.600 0.145 0.000 1.142 46 K CA -0.176 56.266 56.287 0.258 0.000 1.114 46 K CB -0.430 32.240 32.500 0.282 0.000 1.777 46 K HN 0.440 nan 8.250 nan 0.000 0.424 47 M N 0.164 119.839 119.600 0.125 0.000 2.114 47 M HA 0.258 4.738 4.480 -0.001 0.000 0.293 47 M C 0.967 177.307 176.300 0.067 0.000 1.201 47 M CA 0.054 55.402 55.300 0.078 0.000 1.107 47 M CB 1.093 33.731 32.600 0.063 0.000 1.405 47 M HN 0.563 nan 8.290 nan 0.000 0.486 48 G N -0.824 108.001 108.800 0.043 0.000 3.253 48 G HA2 0.586 4.545 3.960 -0.001 0.000 0.175 48 G HA3 0.586 4.545 3.960 -0.001 0.000 0.175 48 G C 0.173 175.084 174.900 0.018 0.000 1.098 48 G CA 0.143 45.262 45.100 0.030 0.000 0.790 48 G HN 0.717 nan 8.290 nan 0.000 0.648 49 A N -0.600 122.227 122.820 0.011 0.000 1.975 49 A HA 0.469 4.788 4.320 -0.001 0.000 0.215 49 A C 2.576 180.159 177.584 -0.001 0.000 1.170 49 A CA 2.087 54.126 52.037 0.003 0.000 0.656 49 A CB -0.801 18.199 19.000 0.000 0.000 0.821 49 A HN 1.284 nan 8.150 nan 0.000 0.449 50 A N 0.540 123.361 122.820 0.002 0.000 1.858 50 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 50 A C 1.873 179.452 177.584 -0.007 0.000 1.190 50 A CA 1.965 54.000 52.037 -0.002 0.000 0.617 50 A CB -0.539 18.462 19.000 0.001 0.000 0.827 50 A HN 0.512 nan 8.150 nan 0.000 0.443 51 E N -0.466 119.731 120.200 -0.004 0.000 2.106 51 E HA -0.069 4.280 4.350 -0.001 0.000 0.192 51 E C 2.037 178.624 176.600 -0.021 0.000 0.984 51 E CA 1.542 57.935 56.400 -0.012 0.000 0.806 51 E CB -0.638 29.061 29.700 -0.001 0.000 0.750 51 E HN 0.580 nan 8.360 nan 0.000 0.458 52 T N 0.794 115.342 114.554 -0.011 0.000 2.699 52 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 52 T C 1.990 176.673 174.700 -0.027 0.000 1.036 52 T CA 1.439 63.529 62.100 -0.017 0.000 1.147 52 T CB -0.381 68.483 68.868 -0.006 0.000 0.862 52 T HN 0.307 nan 8.240 nan 0.000 0.446 53 A N 1.151 123.957 122.820 -0.023 0.000 2.015 53 A HA -0.001 4.319 4.320 -0.001 0.000 0.219 53 A C 2.377 179.940 177.584 -0.034 0.000 1.163 53 A CA 1.163 53.184 52.037 -0.026 0.000 0.646 53 A CB -0.414 18.575 19.000 -0.019 0.000 0.806 53 A HN 0.365 nan 8.150 nan 0.000 0.448 54 R N -0.626 119.852 120.500 -0.038 0.000 2.073 54 R HA 0.018 4.357 4.340 -0.001 0.000 0.229 54 R C 2.481 178.739 176.300 -0.070 0.000 1.120 54 R CA 1.070 57.140 56.100 -0.049 0.000 0.967 54 R CB -0.370 29.901 30.300 -0.048 0.000 0.862 54 R HN 0.490 nan 8.270 nan 0.000 0.436 55 A N 1.081 123.854 122.820 -0.078 0.000 1.883 55 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 55 A C 2.086 179.617 177.584 -0.089 0.000 1.186 55 A CA 1.473 53.450 52.037 -0.100 0.000 0.624 55 A CB -0.571 18.375 19.000 -0.091 0.000 0.822 55 A HN 0.235 nan 8.150 nan 0.000 0.444 56 I N -1.002 119.528 120.570 -0.067 0.000 2.394 56 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 56 I C 2.470 178.554 176.117 -0.054 0.000 1.136 56 I CA 1.502 62.765 61.300 -0.063 0.000 1.425 56 I CB -0.329 37.641 38.000 -0.050 0.000 1.079 56 I HN 0.329 nan 8.210 nan 0.000 0.425 57 E N 1.056 121.229 120.200 -0.045 0.000 2.031 57 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 57 E C 2.342 178.921 176.600 -0.035 0.000 0.994 57 E CA 1.587 57.968 56.400 -0.032 0.000 0.800 57 E CB -0.257 29.425 29.700 -0.030 0.000 0.752 57 E HN 0.449 nan 8.360 nan 0.000 0.447 58 A N 0.957 123.741 122.820 -0.060 0.000 1.892 58 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 58 A C 2.390 179.935 177.584 -0.064 0.000 1.188 58 A CA 2.211 54.203 52.037 -0.074 0.000 0.631 58 A CB -1.094 17.833 19.000 -0.122 0.000 0.822 58 A HN 0.338 nan 8.150 nan 0.000 0.447 59 A N -0.978 121.795 122.820 -0.079 0.000 1.892 59 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 59 A C 2.217 179.796 177.584 -0.008 0.000 1.188 59 A CA 2.082 54.071 52.037 -0.079 0.000 0.631 59 A CB -0.680 18.251 19.000 -0.115 0.000 0.822 59 A HN 0.675 nan 8.150 nan 0.000 0.447 60 Q N -0.907 118.900 119.800 0.011 0.000 2.124 60 Q HA -0.083 4.257 4.340 -0.001 0.000 0.202 60 Q C 2.148 178.242 176.000 0.158 0.000 0.977 60 Q CA 1.499 57.362 55.803 0.101 0.000 0.850 60 Q CB -0.328 28.450 28.738 0.067 0.000 0.901 60 Q HN 0.636 nan 8.270 nan 0.000 0.429 61 A N 0.145 123.014 122.820 0.081 0.000 2.015 61 A HA -0.014 4.305 4.320 -0.001 0.000 0.219 61 A C 2.115 179.751 177.584 0.087 0.000 1.163 61 A CA 1.382 53.461 52.037 0.069 0.000 0.646 61 A CB -0.585 18.430 19.000 0.025 0.000 0.806 61 A HN 0.504 nan 8.150 nan 0.000 0.448 62 A N -1.988 120.886 122.820 0.090 0.000 2.021 62 A HA 0.003 4.322 4.320 -0.001 0.000 0.216 62 A C 1.815 179.540 177.584 0.234 0.000 1.163 62 A CA 1.096 53.194 52.037 0.103 0.000 0.676 62 A CB -0.685 18.322 19.000 0.012 0.000 0.818 62 A HN 0.751 nan 8.150 nan 0.000 0.453 63 W N 1.263 122.593 121.300 0.049 0.000 2.338 63 W HA -0.219 4.440 4.660 -0.001 0.000 0.304 63 W C 2.352 178.946 176.519 0.126 0.000 1.212 63 W CA 1.585 58.992 57.345 0.105 0.000 1.264 63 W CB -0.560 28.941 29.460 0.068 0.000 1.142 63 W HN 0.364 nan 8.180 nan 0.000 0.512 64 A N 0.188 123.043 122.820 0.058 0.000 1.902 64 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 64 A C 2.310 179.869 177.584 -0.041 0.000 1.181 64 A CA 2.128 54.097 52.037 -0.114 0.000 0.623 64 A CB -1.533 17.424 19.000 -0.072 0.000 0.818 64 A HN 0.366 nan 8.150 nan 0.000 0.443 65 G N -1.997 106.839 108.800 0.060 0.000 2.421 65 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 65 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 65 G C 1.510 176.493 174.900 0.137 0.000 1.143 65 G CA 0.777 45.925 45.100 0.079 0.000 0.784 65 G HN 0.669 nan 8.290 nan 0.000 0.541 66 W N 2.489 123.798 121.300 0.016 0.000 2.443 66 W HA -0.054 4.605 4.660 -0.001 0.000 0.296 66 W C 2.639 179.177 176.519 0.032 0.000 1.202 66 W CA 1.136 58.509 57.345 0.046 0.000 1.312 66 W CB 0.083 29.608 29.460 0.109 0.000 1.120 66 W HN 0.312 nan 8.180 nan 0.000 0.536 67 R N 0.273 120.789 120.500 0.026 0.000 2.235 67 R HA -0.104 4.235 4.340 -0.001 0.000 0.213 67 R C 2.060 178.257 176.300 -0.172 0.000 1.059 67 R CA 1.238 57.264 56.100 -0.123 0.000 0.997 67 R CB -0.943 29.243 30.300 -0.190 0.000 0.884 67 R HN 0.202 nan 8.270 nan 0.000 0.462 68 M N 1.074 120.588 119.600 -0.143 0.000 2.394 68 M HA 0.053 4.532 4.480 -0.001 0.000 0.264 68 M C -0.036 176.184 176.300 -0.133 0.000 1.073 68 M CA 1.042 56.268 55.300 -0.123 0.000 1.111 68 M CB 0.311 32.860 32.600 -0.085 0.000 1.401 68 M HN 0.045 nan 8.290 nan 0.000 0.448 69 K N 1.160 121.447 120.400 -0.189 0.000 2.219 69 K HA 0.106 4.426 4.320 -0.001 0.000 0.258 69 K C 0.395 176.865 176.600 -0.217 0.000 1.008 69 K CA -0.035 56.124 56.287 -0.214 0.000 0.928 69 K CB 0.614 32.917 32.500 -0.327 0.000 0.983 69 K HN 0.208 nan 8.250 nan 0.000 0.484 70 T N -1.631 112.822 114.554 -0.168 0.000 2.868 70 T HA 0.203 4.552 4.350 -0.001 0.000 0.292 70 T C 1.377 175.975 174.700 -0.169 0.000 1.028 70 T CA -0.304 61.712 62.100 -0.141 0.000 1.059 70 T CB 1.393 70.202 68.868 -0.097 0.000 0.991 70 T HN 0.568 nan 8.240 nan 0.000 0.531 71 A N 1.276 124.018 122.820 -0.130 0.000 1.917 71 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 71 A C 2.376 179.900 177.584 -0.100 0.000 1.182 71 A CA 2.065 54.033 52.037 -0.114 0.000 0.633 71 A CB -0.997 17.961 19.000 -0.070 0.000 0.819 71 A HN 0.976 nan 8.150 nan 0.000 0.448 72 K N -0.523 119.827 120.400 -0.083 0.000 2.063 72 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 72 K C 1.958 178.519 176.600 -0.065 0.000 1.048 72 K CA 1.853 58.102 56.287 -0.064 0.000 0.928 72 K CB -0.159 32.308 32.500 -0.054 0.000 0.713 72 K HN 0.669 nan 8.250 nan 0.000 0.442 73 E N -0.356 119.786 120.200 -0.095 0.000 2.152 73 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 73 E C 2.082 178.612 176.600 -0.117 0.000 0.983 73 E CA 0.798 57.141 56.400 -0.095 0.000 0.818 73 E CB 0.162 29.793 29.700 -0.115 0.000 0.758 73 E HN 0.244 nan 8.360 nan 0.000 0.467 74 R N 0.383 120.755 120.500 -0.215 0.000 2.090 74 R HA -0.007 4.332 4.340 -0.001 0.000 0.228 74 R C 2.385 178.690 176.300 0.009 0.000 1.110 74 R CA 0.948 56.906 56.100 -0.237 0.000 0.973 74 R CB -0.270 29.762 30.300 -0.447 0.000 0.869 74 R HN 0.077 nan 8.270 nan 0.000 0.440 75 A N 1.757 124.573 122.820 -0.007 0.000 1.908 75 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 75 A C 2.433 180.058 177.584 0.070 0.000 1.181 75 A CA 1.789 53.848 52.037 0.037 0.000 0.627 75 A CB -0.629 18.367 19.000 -0.008 0.000 0.818 75 A HN 0.390 nan 8.150 nan 0.000 0.445 76 A N -0.103 122.747 122.820 0.050 0.000 1.883 76 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 76 A C 2.135 179.793 177.584 0.122 0.000 1.186 76 A CA 1.640 53.720 52.037 0.071 0.000 0.624 76 A CB -0.635 18.391 19.000 0.043 0.000 0.822 76 A HN 0.498 nan 8.150 nan 0.000 0.444 77 I N -0.473 120.183 120.570 0.143 0.000 2.226 77 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 77 I C 2.333 178.612 176.117 0.271 0.000 1.100 77 I CA 1.166 62.584 61.300 0.197 0.000 1.374 77 I CB -0.245 37.904 38.000 0.248 0.000 1.057 77 I HN 0.285 nan 8.210 nan 0.000 0.413 78 L N -0.104 121.300 121.223 0.302 0.000 2.156 78 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 78 L C 2.687 179.790 176.870 0.388 0.000 1.095 78 L CA 0.989 56.077 54.840 0.413 0.000 0.770 78 L CB -0.494 41.791 42.059 0.376 0.000 0.914 78 L HN 0.166 nan 8.230 nan 0.000 0.439 79 R N 0.247 120.904 120.500 0.263 0.000 2.081 79 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 79 R C 2.486 178.976 176.300 0.317 0.000 1.131 79 R CA 1.245 57.499 56.100 0.257 0.000 0.960 79 R CB -0.044 30.346 30.300 0.149 0.000 0.856 79 R HN 0.210 nan 8.270 nan 0.000 0.436 80 R N -0.803 119.852 120.500 0.259 0.000 2.096 80 R HA -0.201 4.138 4.340 -0.001 0.000 0.235 80 R C 1.932 178.407 176.300 0.291 0.000 1.127 80 R CA 1.630 57.866 56.100 0.227 0.000 0.968 80 R CB -0.432 29.972 30.300 0.174 0.000 0.861 80 R HN 0.362 nan 8.270 nan 0.000 0.440 81 W N 0.941 122.321 121.300 0.133 0.000 2.355 81 W HA -0.226 4.434 4.660 -0.001 0.000 0.309 81 W C 1.897 178.506 176.519 0.149 0.000 1.206 81 W CA 0.965 58.382 57.345 0.120 0.000 1.284 81 W CB -0.862 28.674 29.460 0.127 0.000 1.145 81 W HN 0.006 nan 8.180 nan 0.000 0.502 82 F N 1.920 121.894 119.950 0.041 0.000 2.091 82 F HA -0.276 4.250 4.527 -0.001 0.000 0.299 82 F C 2.047 177.818 175.800 -0.049 0.000 1.103 82 F CA 2.657 60.601 58.000 -0.093 0.000 1.228 82 F CB -0.802 38.193 39.000 -0.009 0.000 0.984 82 F HN -0.245 nan 8.300 nan 0.000 0.477 83 D N 0.601 120.947 120.400 -0.089 0.000 2.178 83 D HA -0.159 4.480 4.640 -0.001 0.000 0.201 83 D C 2.422 178.624 176.300 -0.163 0.000 0.980 83 D CA 1.432 55.319 54.000 -0.189 0.000 0.842 83 D CB -0.443 40.372 40.800 0.026 0.000 0.948 83 D HN 0.364 nan 8.370 nan 0.000 0.472 84 L N 0.010 121.199 121.223 -0.056 0.000 2.056 84 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 84 L C 2.535 179.357 176.870 -0.079 0.000 1.078 84 L CA 0.493 55.325 54.840 -0.015 0.000 0.749 84 L CB -0.274 41.847 42.059 0.102 0.000 0.901 84 L HN -0.079 nan 8.230 nan 0.000 0.433 85 V N -0.068 119.741 119.914 -0.176 0.000 2.287 85 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 85 V C 2.421 178.387 176.094 -0.212 0.000 1.053 85 V CA 1.543 63.719 62.300 -0.206 0.000 1.027 85 V CB -0.370 31.253 31.823 -0.332 0.000 0.646 85 V HN 0.280 nan 8.190 nan 0.000 0.447 86 I N 0.532 120.890 120.570 -0.354 0.000 2.208 86 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 86 I C 2.602 178.614 176.117 -0.174 0.000 1.097 86 I CA 2.095 63.202 61.300 -0.321 0.000 1.363 86 I CB -1.466 36.209 38.000 -0.542 0.000 1.051 86 I HN 0.337 nan 8.210 nan 0.000 0.413 87 A N 0.067 122.800 122.820 -0.145 0.000 2.121 87 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 87 A C 1.646 179.205 177.584 -0.042 0.000 1.154 87 A CA 1.111 53.104 52.037 -0.073 0.000 0.679 87 A CB -0.457 18.513 19.000 -0.049 0.000 0.795 87 A HN 0.491 nan 8.150 nan 0.000 0.458 88 N N -0.696 117.979 118.700 -0.042 0.000 2.282 88 N HA 0.047 4.786 4.740 -0.001 0.000 0.240 88 N C 1.102 176.601 175.510 -0.018 0.000 1.182 88 N CA 0.597 53.639 53.050 -0.014 0.000 0.874 88 N CB 0.690 39.186 38.487 0.015 0.000 1.126 88 N HN 0.402 nan 8.380 nan 0.000 0.516 89 S N 1.343 117.023 115.700 -0.032 0.000 2.370 89 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 89 S C 1.380 175.977 174.600 -0.005 0.000 1.033 89 S CA 1.384 59.570 58.200 -0.023 0.000 1.011 89 S CB 0.094 63.275 63.200 -0.031 0.000 0.852 89 S HN 0.190 nan 8.310 nan 0.000 0.457 90 D N 1.301 121.697 120.400 -0.007 0.000 2.092 90 D HA -0.090 4.550 4.640 -0.001 0.000 0.193 90 D C 1.761 178.059 176.300 -0.003 0.000 0.994 90 D CA 1.439 55.438 54.000 -0.003 0.000 0.828 90 D CB -0.617 40.180 40.800 -0.005 0.000 0.963 90 D HN 0.455 nan 8.370 nan 0.000 0.450 91 D N 0.340 120.736 120.400 -0.007 0.000 2.084 91 D HA -0.092 4.547 4.640 -0.001 0.000 0.194 91 D C 2.453 178.749 176.300 -0.008 0.000 0.990 91 D CA 0.327 54.318 54.000 -0.015 0.000 0.826 91 D CB -0.432 40.356 40.800 -0.019 0.000 0.971 91 D HN 0.208 nan 8.370 nan 0.000 0.453 92 L N 0.839 122.065 121.223 0.005 0.000 2.013 92 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 92 L C 2.586 179.473 176.870 0.029 0.000 1.073 92 L CA 1.384 56.237 54.840 0.021 0.000 0.753 92 L CB -0.564 41.510 42.059 0.026 0.000 0.890 92 L HN 0.001 nan 8.230 nan 0.000 0.432 93 A N -0.173 122.662 122.820 0.024 0.000 1.883 93 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 93 A C 2.183 179.782 177.584 0.024 0.000 1.186 93 A CA 1.758 53.813 52.037 0.030 0.000 0.624 93 A CB -0.701 18.314 19.000 0.026 0.000 0.822 93 A HN 0.329 nan 8.150 nan 0.000 0.444 94 L N -0.011 121.218 121.223 0.010 0.000 2.093 94 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 94 L C 2.200 179.070 176.870 -0.000 0.000 1.085 94 L CA 1.474 56.315 54.840 0.002 0.000 0.755 94 L CB -0.565 41.487 42.059 -0.011 0.000 0.904 94 L HN 0.452 nan 8.230 nan 0.000 0.435 95 I N -1.274 119.293 120.570 -0.005 0.000 2.179 95 I HA -0.334 3.835 4.170 -0.001 0.000 0.242 95 I C 2.454 178.602 176.117 0.053 0.000 1.088 95 I CA 1.416 62.715 61.300 -0.002 0.000 1.357 95 I CB -0.319 37.676 38.000 -0.009 0.000 1.051 95 I HN 0.289 nan 8.210 nan 0.000 0.409 96 L N 0.276 121.534 121.223 0.059 0.000 1.970 96 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 96 L C 2.658 179.562 176.870 0.057 0.000 1.071 96 L CA 2.016 56.900 54.840 0.072 0.000 0.751 96 L CB -0.498 41.601 42.059 0.067 0.000 0.889 96 L HN 0.205 nan 8.230 nan 0.000 0.432 97 T N -1.060 113.518 114.554 0.040 0.000 2.699 97 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 97 T C 1.706 176.426 174.700 0.032 0.000 1.036 97 T CA 2.020 64.139 62.100 0.031 0.000 1.147 97 T CB -0.484 68.400 68.868 0.027 0.000 0.862 97 T HN 0.475 nan 8.240 nan 0.000 0.446 98 T N 2.130 116.705 114.554 0.036 0.000 2.708 98 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 98 T C 2.082 176.819 174.700 0.061 0.000 1.037 98 T CA 1.655 63.777 62.100 0.037 0.000 1.146 98 T CB -0.261 68.619 68.868 0.019 0.000 0.865 98 T HN 0.780 nan 8.240 nan 0.000 0.435 99 E N 0.319 120.579 120.200 0.100 0.000 2.170 99 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 99 E C 2.267 178.909 176.600 0.069 0.000 0.981 99 E CA 0.484 56.960 56.400 0.126 0.000 0.830 99 E CB -0.074 29.761 29.700 0.225 0.000 0.775 99 E HN 0.269 nan 8.360 nan 0.000 0.470 100 Q N 0.318 120.154 119.800 0.060 0.000 2.390 100 Q HA 0.062 4.401 4.340 -0.001 0.000 0.216 100 Q C 1.312 177.316 176.000 0.007 0.000 0.916 100 Q CA 1.520 57.354 55.803 0.052 0.000 0.911 100 Q CB 1.013 29.801 28.738 0.084 0.000 1.035 100 Q HN 0.465 nan 8.270 nan 0.000 0.541 101 G N 1.653 110.453 108.800 0.001 0.000 2.253 101 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.209 101 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.209 101 G C 0.018 174.918 174.900 -0.001 0.000 0.997 101 G CA 0.178 45.263 45.100 -0.024 0.000 0.640 101 G HN 0.432 nan 8.290 nan 0.000 0.496 102 K N 1.251 121.653 120.400 0.002 0.000 2.380 102 K HA 0.478 4.797 4.320 -0.001 0.000 0.267 102 K C -2.569 174.044 176.600 0.022 0.000 0.990 102 K CA -1.155 55.135 56.287 0.005 0.000 0.946 102 K CB 0.406 32.887 32.500 -0.032 0.000 0.937 102 K HN 0.091 nan 8.250 nan 0.000 0.491 103 P HA -0.108 nan 4.420 nan 0.000 0.267 103 P C 0.919 178.236 177.300 0.029 0.000 1.200 103 P CA -0.186 62.934 63.100 0.034 0.000 0.772 103 P CB 0.446 32.166 31.700 0.033 0.000 0.855 104 L N 2.292 123.531 121.223 0.027 0.000 2.021 104 L HA -0.328 4.011 4.340 -0.001 0.000 0.215 104 L C 2.064 178.951 176.870 0.028 0.000 1.074 104 L CA 2.599 57.454 54.840 0.025 0.000 0.760 104 L CB -0.937 41.134 42.059 0.020 0.000 0.889 104 L HN 0.442 nan 8.230 nan 0.000 0.433 105 A N -0.632 122.204 122.820 0.027 0.000 1.908 105 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 105 A C 2.022 179.629 177.584 0.039 0.000 1.181 105 A CA 1.826 53.881 52.037 0.029 0.000 0.627 105 A CB -0.483 18.532 19.000 0.025 0.000 0.818 105 A HN 0.569 nan 8.150 nan 0.000 0.445 106 E N -0.435 119.788 120.200 0.039 0.000 2.150 106 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 106 E C 2.301 178.938 176.600 0.061 0.000 0.985 106 E CA 0.755 57.184 56.400 0.048 0.000 0.814 106 E CB -0.249 29.471 29.700 0.034 0.000 0.752 106 E HN 0.630 nan 8.360 nan 0.000 0.466 107 A N 1.840 124.689 122.820 0.048 0.000 1.933 107 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 107 A C 1.952 179.579 177.584 0.072 0.000 1.175 107 A CA 1.344 53.416 52.037 0.057 0.000 0.628 107 A CB -0.226 18.798 19.000 0.041 0.000 0.814 107 A HN 0.047 nan 8.150 nan 0.000 0.444 108 K N -0.758 119.677 120.400 0.058 0.000 2.057 108 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 108 K C 2.152 178.799 176.600 0.077 0.000 1.050 108 K CA 0.999 57.319 56.287 0.056 0.000 0.935 108 K CB -0.456 32.067 32.500 0.038 0.000 0.715 108 K HN 0.455 nan 8.250 nan 0.000 0.439 109 G N 1.694 110.544 108.800 0.083 0.000 2.440 109 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 109 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 109 G C 1.393 176.395 174.900 0.170 0.000 1.154 109 G CA 1.083 46.243 45.100 0.100 0.000 0.767 109 G HN 0.442 nan 8.290 nan 0.000 0.552 110 E N -0.037 120.289 120.200 0.209 0.000 2.072 110 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 110 E C 2.460 179.234 176.600 0.289 0.000 0.985 110 E CA 0.752 57.356 56.400 0.340 0.000 0.801 110 E CB -0.104 29.805 29.700 0.348 0.000 0.750 110 E HN 0.317 nan 8.360 nan 0.000 0.452 111 I N 1.445 122.119 120.570 0.172 0.000 2.226 111 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 111 I C 2.599 178.772 176.117 0.094 0.000 1.100 111 I CA 1.313 62.677 61.300 0.106 0.000 1.374 111 I CB -1.687 36.345 38.000 0.053 0.000 1.057 111 I HN 0.206 nan 8.210 nan 0.000 0.413 112 A N 0.463 123.348 122.820 0.109 0.000 1.883 112 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 112 A C 2.392 180.068 177.584 0.153 0.000 1.186 112 A CA 1.798 53.898 52.037 0.104 0.000 0.624 112 A CB -1.287 17.771 19.000 0.096 0.000 0.822 112 A HN 0.473 nan 8.150 nan 0.000 0.444 113 Y N 0.766 121.097 120.300 0.052 0.000 2.165 113 Y HA -0.128 4.422 4.550 -0.001 0.000 0.286 113 Y C 2.615 178.589 175.900 0.123 0.000 1.155 113 Y CA 1.213 59.334 58.100 0.034 0.000 1.164 113 Y CB -0.692 37.804 38.460 0.061 0.000 0.978 113 Y HN 0.310 nan 8.280 nan 0.000 0.513 114 A N 0.584 123.452 122.820 0.081 0.000 1.873 114 A HA -0.076 4.243 4.320 -0.001 0.000 0.215 114 A C 2.493 180.121 177.584 0.073 0.000 1.186 114 A CA 2.017 54.087 52.037 0.055 0.000 0.616 114 A CB -1.575 17.459 19.000 0.057 0.000 0.823 114 A HN 0.612 nan 8.150 nan 0.000 0.442 115 A N 0.474 123.334 122.820 0.067 0.000 1.908 115 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 115 A C 2.537 180.325 177.584 0.340 0.000 1.181 115 A CA 2.679 54.826 52.037 0.183 0.000 0.627 115 A CB -1.163 17.878 19.000 0.069 0.000 0.818 115 A HN 1.135 nan 8.150 nan 0.000 0.445 116 S N -0.997 114.798 115.700 0.159 0.000 2.383 116 S HA -0.191 4.278 4.470 -0.001 0.000 0.229 116 S C 1.720 176.250 174.600 -0.117 0.000 1.030 116 S CA 1.650 59.837 58.200 -0.021 0.000 1.002 116 S CB -0.788 62.321 63.200 -0.152 0.000 0.829 116 S HN 0.369 nan 8.310 nan 0.000 0.467 117 F N 1.791 121.714 119.950 -0.044 0.000 2.146 117 F HA 0.192 4.718 4.527 -0.001 0.000 0.298 117 F C 2.250 178.171 175.800 0.201 0.000 1.096 117 F CA 0.615 58.637 58.000 0.037 0.000 1.275 117 F CB -0.509 38.494 39.000 0.005 0.000 1.008 117 F HN 0.190 nan 8.300 nan 0.000 0.480 118 I N -0.250 120.507 120.570 0.311 0.000 2.179 118 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 118 I C 2.490 178.691 176.117 0.139 0.000 1.088 118 I CA 1.692 63.144 61.300 0.253 0.000 1.357 118 I CB -0.598 37.440 38.000 0.063 0.000 1.051 118 I HN 0.176 nan 8.210 nan 0.000 0.409 119 E N 1.077 121.194 120.200 -0.138 0.000 2.058 119 E HA -0.293 4.057 4.350 -0.001 0.000 0.194 119 E C 2.230 178.720 176.600 -0.183 0.000 0.997 119 E CA 1.635 57.772 56.400 -0.438 0.000 0.801 119 E CB -0.328 28.740 29.700 -1.052 0.000 0.746 119 E HN 0.596 nan 8.360 nan 0.000 0.450 120 W N 0.336 121.466 121.300 -0.282 0.000 2.321 120 W HA -0.250 4.409 4.660 -0.001 0.000 0.306 120 W C 1.337 177.658 176.519 -0.329 0.000 1.217 120 W CA 1.262 58.391 57.345 -0.360 0.000 1.257 120 W CB -0.323 28.819 29.460 -0.529 0.000 1.145 120 W HN 0.165 nan 8.180 nan 0.000 0.509 121 F N 0.529 120.538 119.950 0.098 0.000 2.416 121 F HA 0.096 4.622 4.527 -0.001 0.000 0.296 121 F C 2.652 178.436 175.800 -0.026 0.000 1.099 121 F CA 1.350 59.373 58.000 0.039 0.000 1.427 121 F CB -1.346 37.750 39.000 0.159 0.000 1.079 121 F HN -0.140 nan 8.300 nan 0.000 0.536 122 A N 0.394 123.294 122.820 0.133 0.000 1.908 122 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 122 A C 2.095 179.648 177.584 -0.051 0.000 1.181 122 A CA 2.052 54.127 52.037 0.063 0.000 0.627 122 A CB -0.702 18.328 19.000 0.050 0.000 0.818 122 A HN 0.451 nan 8.150 nan 0.000 0.445 123 E N -0.712 119.382 120.200 -0.177 0.000 2.107 123 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 123 E C 1.948 178.372 176.600 -0.293 0.000 0.982 123 E CA 0.794 57.036 56.400 -0.265 0.000 0.809 123 E CB -0.123 29.341 29.700 -0.393 0.000 0.756 123 E HN 0.479 nan 8.360 nan 0.000 0.459 124 E N 0.554 120.540 120.200 -0.356 0.000 2.110 124 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 124 E C 2.239 178.811 176.600 -0.047 0.000 0.988 124 E CA 1.042 57.298 56.400 -0.240 0.000 0.804 124 E CB -0.449 29.165 29.700 -0.144 0.000 0.745 124 E HN 0.362 nan 8.360 nan 0.000 0.458 125 G N 1.481 110.288 108.800 0.011 0.000 2.450 125 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.220 125 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.220 125 G C 1.413 176.306 174.900 -0.012 0.000 1.130 125 G CA 0.594 45.713 45.100 0.032 0.000 0.760 125 G HN 0.250 nan 8.290 nan 0.000 0.557 126 K N -0.169 120.202 120.400 -0.048 0.000 2.487 126 K HA 0.139 4.458 4.320 -0.001 0.000 0.192 126 K C 1.321 177.889 176.600 -0.054 0.000 1.027 126 K CA 0.144 56.397 56.287 -0.056 0.000 1.054 126 K CB 0.259 32.717 32.500 -0.071 0.000 0.824 126 K HN 0.194 nan 8.250 nan 0.000 0.510 127 R N 0.363 120.834 120.500 -0.049 0.000 2.590 127 R HA 0.144 4.483 4.340 -0.001 0.000 0.410 127 R C -0.565 175.732 176.300 -0.005 0.000 1.010 127 R CA -0.173 55.900 56.100 -0.044 0.000 1.155 127 R CB 1.181 31.430 30.300 -0.085 0.000 1.455 127 R HN -0.136 nan 8.270 nan 0.000 0.567 128 V N 2.277 122.203 119.914 0.021 0.000 2.390 128 V HA 0.206 4.325 4.120 -0.001 0.000 0.260 128 V C 0.293 176.409 176.094 0.037 0.000 1.043 128 V CA 0.043 62.374 62.300 0.052 0.000 1.047 128 V CB 0.445 32.312 31.823 0.072 0.000 1.066 128 V HN 0.253 nan 8.190 nan 0.000 0.481 129 A N 4.702 127.544 122.820 0.037 0.000 2.342 129 A HA 0.872 5.191 4.320 -0.001 0.000 0.323 129 A C 0.508 178.114 177.584 0.037 0.000 1.125 129 A CA 0.053 52.105 52.037 0.025 0.000 0.785 129 A CB 1.487 20.491 19.000 0.007 0.000 1.221 129 A HN 0.799 nan 8.150 nan 0.000 0.463 130 G N 0.194 109.015 108.800 0.035 0.000 2.630 130 G HA2 0.580 4.539 3.960 -0.001 0.000 0.223 130 G HA3 0.580 4.539 3.960 -0.001 0.000 0.223 130 G C -0.815 174.106 174.900 0.036 0.000 1.434 130 G CA -0.340 44.786 45.100 0.043 0.000 1.057 130 G HN 0.665 nan 8.290 nan 0.000 0.570 131 D N -0.759 119.666 120.400 0.042 0.000 2.645 131 D HA 0.488 5.127 4.640 -0.001 0.000 0.228 131 D C -0.736 175.589 176.300 0.041 0.000 1.148 131 D CA -0.156 53.866 54.000 0.037 0.000 0.860 131 D CB 2.053 42.877 40.800 0.040 0.000 1.548 131 D HN 0.492 nan 8.370 nan 0.000 0.460 132 T N -0.894 113.680 114.554 0.032 0.000 2.812 132 T HA 0.707 5.056 4.350 -0.001 0.000 0.282 132 T C -0.274 174.445 174.700 0.032 0.000 0.990 132 T CA -0.740 61.382 62.100 0.036 0.000 0.960 132 T CB 0.809 69.692 68.868 0.026 0.000 0.948 132 T HN 0.197 nan 8.240 nan 0.000 0.438 133 L N 3.180 124.427 121.223 0.040 0.000 2.342 133 L HA 0.597 4.936 4.340 -0.001 0.000 0.271 133 L C -2.369 174.518 176.870 0.029 0.000 1.008 133 L CA -2.753 52.104 54.840 0.029 0.000 0.818 133 L CB 1.912 43.986 42.059 0.025 0.000 1.296 133 L HN 0.447 nan 8.230 nan 0.000 0.427 134 P HA 0.047 nan 4.420 nan 0.000 0.271 134 P C -0.233 177.080 177.300 0.022 0.000 1.233 134 P CA -0.115 62.996 63.100 0.018 0.000 0.764 134 P CB 0.615 32.322 31.700 0.012 0.000 0.825 135 T N 4.482 119.053 114.554 0.028 0.000 2.930 135 T HA 0.142 4.492 4.350 -0.001 0.000 0.306 135 T C -0.923 173.791 174.700 0.024 0.000 1.045 135 T CA -1.121 61.000 62.100 0.035 0.000 1.134 135 T CB 0.011 68.902 68.868 0.039 0.000 0.961 135 T HN 0.320 nan 8.240 nan 0.000 0.545 136 P HA 0.158 nan 4.420 nan 0.000 0.226 136 P C 0.016 177.327 177.300 0.019 0.000 1.161 136 P CA 0.430 63.540 63.100 0.016 0.000 0.804 136 P CB 0.312 32.019 31.700 0.012 0.000 0.829 137 D N -0.074 120.343 120.400 0.027 0.000 2.303 137 D HA 0.354 4.993 4.640 -0.001 0.000 0.236 137 D C 0.716 177.030 176.300 0.023 0.000 1.068 137 D CA -0.477 53.538 54.000 0.025 0.000 0.830 137 D CB 2.010 42.828 40.800 0.031 0.000 1.109 137 D HN -0.121 nan 8.370 nan 0.000 0.496 138 A N 4.107 126.938 122.820 0.017 0.000 2.216 138 A HA -0.132 4.187 4.320 -0.001 0.000 0.214 138 A C 1.321 178.914 177.584 0.014 0.000 1.160 138 A CA 0.754 52.800 52.037 0.014 0.000 0.725 138 A CB -0.091 18.915 19.000 0.011 0.000 0.784 138 A HN 0.507 nan 8.150 nan 0.000 0.472 139 N N -0.374 118.335 118.700 0.015 0.000 2.280 139 N HA 0.115 4.854 4.740 -0.001 0.000 0.192 139 N C -0.273 175.245 175.510 0.014 0.000 1.109 139 N CA 0.463 53.521 53.050 0.012 0.000 0.855 139 N CB 0.406 38.899 38.487 0.010 0.000 0.974 139 N HN 0.503 nan 8.380 nan 0.000 0.482 140 K N 0.116 120.529 120.400 0.022 0.000 2.385 140 K HA 0.502 4.821 4.320 -0.001 0.000 0.248 140 K C -0.748 175.874 176.600 0.036 0.000 0.955 140 K CA -0.746 55.557 56.287 0.028 0.000 0.816 140 K CB 1.920 34.446 32.500 0.044 0.000 1.250 140 K HN -0.293 nan 8.250 nan 0.000 0.434 141 R N 1.486 122.006 120.500 0.034 0.000 2.562 141 R HA 0.489 4.828 4.340 -0.001 0.000 0.298 141 R C -0.825 175.522 176.300 0.078 0.000 0.961 141 R CA -0.587 55.539 56.100 0.044 0.000 0.881 141 R CB 0.933 31.247 30.300 0.023 0.000 1.159 141 R HN 0.562 nan 8.270 nan 0.000 0.450 142 I N 3.646 124.284 120.570 0.113 0.000 2.307 142 I HA 0.340 4.510 4.170 -0.001 0.000 0.289 142 I C -0.525 175.680 176.117 0.146 0.000 1.021 142 I CA -0.852 60.571 61.300 0.205 0.000 1.224 142 I CB 1.341 39.459 38.000 0.196 0.000 1.376 142 I HN 0.094 nan 8.210 nan 0.000 0.470 143 V N 7.513 127.517 119.914 0.149 0.000 2.483 143 V HA 0.346 4.465 4.120 -0.001 0.000 0.297 143 V C -0.063 176.108 176.094 0.129 0.000 1.027 143 V CA -0.648 61.709 62.300 0.095 0.000 0.855 143 V CB 2.453 34.298 31.823 0.037 0.000 0.995 143 V HN 0.390 nan 8.190 nan 0.000 0.424 144 V N 6.122 126.104 119.914 0.113 0.000 2.370 144 V HA 0.587 4.707 4.120 -0.001 0.000 0.283 144 V C -0.039 176.098 176.094 0.073 0.000 1.023 144 V CA -0.499 61.869 62.300 0.113 0.000 0.857 144 V CB 1.844 33.728 31.823 0.101 0.000 0.985 144 V HN 0.741 nan 8.190 nan 0.000 0.443 145 V N 2.791 122.745 119.914 0.068 0.000 2.815 145 V HA 0.734 4.853 4.120 -0.001 0.000 0.314 145 V C -0.517 175.614 176.094 0.062 0.000 1.064 145 V CA -1.014 61.316 62.300 0.051 0.000 0.952 145 V CB 1.958 33.801 31.823 0.033 0.000 1.020 145 V HN 0.777 nan 8.190 nan 0.000 0.439 146 K N 2.112 122.548 120.400 0.060 0.000 2.203 146 K HA 0.725 5.044 4.320 -0.001 0.000 0.251 146 K C -0.856 175.790 176.600 0.077 0.000 0.944 146 K CA -0.592 55.740 56.287 0.075 0.000 0.829 146 K CB 2.100 34.649 32.500 0.081 0.000 1.125 146 K HN 1.021 nan 8.250 nan 0.000 0.430 147 E N 1.232 121.492 120.200 0.100 0.000 2.412 147 E HA 0.399 4.748 4.350 -0.001 0.000 0.279 147 E C -2.986 173.723 176.600 0.181 0.000 0.984 147 E CA -2.442 54.028 56.400 0.117 0.000 0.788 147 E CB 1.763 31.519 29.700 0.092 0.000 1.277 147 E HN 0.162 nan 8.360 nan 0.000 0.455 148 P HA 0.025 nan 4.420 nan 0.000 0.269 148 P C 0.451 177.966 177.300 0.358 0.000 1.215 148 P CA -0.109 63.195 63.100 0.341 0.000 0.780 148 P CB 1.178 33.197 31.700 0.531 0.000 0.898 149 I N 0.574 121.271 120.570 0.212 0.000 2.233 149 I HA 0.036 4.205 4.170 -0.001 0.000 0.243 149 I C 1.038 177.120 176.117 -0.059 0.000 1.093 149 I CA 2.014 63.375 61.300 0.102 0.000 1.380 149 I CB -0.355 37.658 38.000 0.022 0.000 1.067 149 I HN 0.697 nan 8.210 nan 0.000 0.413 150 G N -0.611 107.948 108.800 -0.401 0.000 2.291 150 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.249 150 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.249 150 G C -1.054 173.326 174.900 -0.867 0.000 1.340 150 G CA -0.240 44.078 45.100 -1.303 0.000 1.017 150 G HN -0.018 nan 8.290 nan 0.000 0.470 151 V N 0.920 120.410 119.914 -0.708 0.000 2.450 151 V HA 0.326 4.445 4.120 -0.001 0.000 0.281 151 V C 0.795 176.750 176.094 -0.232 0.000 1.019 151 V CA -0.001 62.057 62.300 -0.403 0.000 1.062 151 V CB -0.237 31.420 31.823 -0.276 0.000 0.979 151 V HN 0.807 nan 8.190 nan 0.000 0.477 152 C N 4.476 123.682 119.300 -0.158 0.000 2.349 152 C HA 0.959 5.418 4.460 -0.001 0.000 0.361 152 C C 0.594 175.559 174.990 -0.042 0.000 1.189 152 C CA -0.506 58.480 59.018 -0.054 0.000 2.155 152 C CB 1.090 28.870 27.740 0.067 0.000 2.336 152 C HN 1.017 nan 8.230 nan 0.000 0.540 153 A N 0.530 123.346 122.820 -0.006 0.000 2.572 153 A HA 0.941 5.260 4.320 -0.001 0.000 0.295 153 A C -1.193 176.412 177.584 0.035 0.000 1.072 153 A CA -0.215 51.822 52.037 0.000 0.000 0.691 153 A CB 1.235 20.229 19.000 -0.010 0.000 1.291 153 A HN 1.719 nan 8.150 nan 0.000 0.404 154 A N 1.296 124.140 122.820 0.039 0.000 2.459 154 A HA 0.715 5.034 4.320 -0.001 0.000 0.296 154 A C -1.169 176.453 177.584 0.063 0.000 1.039 154 A CA -0.242 51.828 52.037 0.056 0.000 0.698 154 A CB 0.733 19.758 19.000 0.042 0.000 1.261 154 A HN 0.780 nan 8.150 nan 0.000 0.405 155 I N 2.445 123.075 120.570 0.100 0.000 2.404 155 I HA 0.573 4.742 4.170 -0.001 0.000 0.293 155 I C 0.234 176.341 176.117 -0.017 0.000 0.992 155 I CA -0.341 61.026 61.300 0.113 0.000 1.149 155 I CB 2.378 40.556 38.000 0.296 0.000 1.315 155 I HN 0.775 nan 8.210 nan 0.000 0.446 156 T N 3.622 118.155 114.554 -0.035 0.000 2.900 156 T HA 0.665 5.014 4.350 -0.001 0.000 0.295 156 T C -2.789 171.859 174.700 -0.086 0.000 1.044 156 T CA -1.884 60.154 62.100 -0.103 0.000 0.995 156 T CB 2.424 71.264 68.868 -0.047 0.000 1.072 156 T HN 0.230 nan 8.240 nan 0.000 0.473 157 P HA 0.369 nan 4.420 nan 0.000 0.321 157 P C 0.634 177.887 177.300 -0.079 0.000 1.304 157 P CA -0.767 62.221 63.100 -0.188 0.000 0.759 157 P CB 0.966 32.415 31.700 -0.417 0.000 1.385 158 W N -0.098 121.214 121.300 0.020 0.000 2.996 158 W HA 0.075 4.735 4.660 -0.002 0.000 0.270 158 W C 0.879 177.404 176.519 0.011 0.000 1.280 158 W CA 0.191 57.546 57.345 0.017 0.000 1.549 158 W CB -1.544 27.916 29.460 -0.001 0.000 1.079 158 W HN 0.169 nan 8.180 nan 0.000 0.629 159 N N 1.369 119.902 118.700 -0.278 0.000 2.396 159 N HA -0.137 4.602 4.740 -0.001 0.000 0.180 159 N C -0.248 175.053 175.510 -0.349 0.000 1.028 159 N CA 0.692 53.616 53.050 -0.210 0.000 0.893 159 N CB -0.852 37.380 38.487 -0.425 0.000 0.967 159 N HN 0.072 nan 8.380 nan 0.000 0.440 160 F N 0.041 119.981 119.950 -0.016 0.000 2.646 160 F HA 0.394 4.920 4.527 -0.001 0.000 0.336 160 F C -1.910 173.911 175.800 0.035 0.000 1.437 160 F CA -1.975 56.045 58.000 0.033 0.000 1.142 160 F CB 2.104 41.118 39.000 0.024 0.000 1.530 160 F HN -0.179 nan 8.300 nan 0.000 0.591 161 P HA -0.147 nan 4.420 nan 0.000 0.220 161 P C 1.336 178.717 177.300 0.135 0.000 1.148 161 P CA 1.335 64.517 63.100 0.137 0.000 0.803 161 P CB 0.415 32.194 31.700 0.133 0.000 0.782 162 A N -0.244 122.671 122.820 0.158 0.000 1.901 162 A HA 0.265 4.584 4.320 -0.001 0.000 0.210 162 A C 2.289 179.940 177.584 0.111 0.000 1.208 162 A CA 1.136 53.254 52.037 0.135 0.000 0.644 162 A CB -1.375 17.705 19.000 0.134 0.000 0.863 162 A HN 0.128 nan 8.150 nan 0.000 0.454 163 A N -0.472 122.448 122.820 0.166 0.000 1.908 163 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 163 A C 2.144 179.668 177.584 -0.099 0.000 1.181 163 A CA 2.079 54.150 52.037 0.056 0.000 0.627 163 A CB -0.538 18.572 19.000 0.183 0.000 0.818 163 A HN 0.396 nan 8.150 nan 0.000 0.445 164 M N -0.951 118.631 119.600 -0.031 0.000 2.159 164 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 164 M C 2.057 178.301 176.300 -0.092 0.000 1.063 164 M CA 1.263 56.501 55.300 -0.104 0.000 1.110 164 M CB -1.337 31.234 32.600 -0.048 0.000 1.374 164 M HN 0.354 nan 8.290 nan 0.000 0.411 165 I N 0.538 121.102 120.570 -0.011 0.000 2.163 165 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 165 I C 2.617 178.758 176.117 0.039 0.000 1.081 165 I CA 1.535 62.858 61.300 0.039 0.000 1.353 165 I CB -0.940 37.130 38.000 0.116 0.000 1.054 165 I HN 0.232 nan 8.210 nan 0.000 0.407 166 A N 0.137 122.971 122.820 0.024 0.000 1.927 166 A HA -0.299 4.020 4.320 -0.001 0.000 0.220 166 A C 2.461 179.990 177.584 -0.091 0.000 1.185 166 A CA 2.107 54.150 52.037 0.011 0.000 0.639 166 A CB -0.777 18.206 19.000 -0.028 0.000 0.820 166 A HN 0.350 nan 8.150 nan 0.000 0.451 167 R N -0.820 119.484 120.500 -0.326 0.000 2.193 167 R HA -0.081 4.258 4.340 -0.001 0.000 0.229 167 R C 1.780 177.892 176.300 -0.313 0.000 1.110 167 R CA 1.603 57.382 56.100 -0.536 0.000 0.988 167 R CB -0.053 29.806 30.300 -0.734 0.000 0.871 167 R HN 0.564 nan 8.270 nan 0.000 0.458 168 K N -1.231 119.053 120.400 -0.192 0.000 2.387 168 K HA 0.103 4.422 4.320 -0.001 0.000 0.197 168 K C 1.786 178.275 176.600 -0.185 0.000 1.127 168 K CA 0.280 56.486 56.287 -0.134 0.000 0.950 168 K CB 0.552 33.030 32.500 -0.035 0.000 1.017 168 K HN -0.051 nan 8.250 nan 0.000 0.519 169 V N 1.477 121.341 119.914 -0.083 0.000 2.407 169 V HA -0.106 4.013 4.120 -0.001 0.000 0.245 169 V C 2.337 178.397 176.094 -0.057 0.000 1.041 169 V CA 2.120 64.395 62.300 -0.042 0.000 1.040 169 V CB -0.844 31.044 31.823 0.109 0.000 0.671 169 V HN 0.432 nan 8.190 nan 0.000 0.455 170 G N 1.792 110.603 108.800 0.019 0.000 2.679 170 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 170 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 170 G C 0.082 174.811 174.900 -0.285 0.000 1.267 170 G CA 1.496 46.630 45.100 0.057 0.000 0.799 170 G HN 0.533 nan 8.290 nan 0.000 0.606 171 P HA -0.093 nan 4.420 nan 0.000 0.216 171 P C 2.054 178.832 177.300 -0.869 0.000 1.150 171 P CA 2.253 64.689 63.100 -1.106 0.000 0.837 171 P CB -0.259 30.580 31.700 -1.435 0.000 0.786 172 A N 0.009 122.193 122.820 -1.061 0.000 1.851 172 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 172 A C 2.300 179.809 177.584 -0.126 0.000 1.195 172 A CA 1.738 53.401 52.037 -0.624 0.000 0.622 172 A CB -1.678 17.093 19.000 -0.381 0.000 0.831 172 A HN 0.079 nan 8.150 nan 0.000 0.444 173 L N -0.266 120.931 121.223 -0.045 0.000 2.012 173 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 173 L C 3.038 180.153 176.870 0.409 0.000 1.073 173 L CA 2.008 56.999 54.840 0.251 0.000 0.748 173 L CB -0.942 41.209 42.059 0.154 0.000 0.891 173 L HN 0.421 nan 8.230 nan 0.000 0.431 174 A N -0.720 122.217 122.820 0.195 0.000 1.917 174 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 174 A C 2.404 180.066 177.584 0.130 0.000 1.182 174 A CA 1.997 54.133 52.037 0.166 0.000 0.633 174 A CB -0.958 18.141 19.000 0.166 0.000 0.819 174 A HN 0.416 nan 8.150 nan 0.000 0.448 175 A N -2.131 120.763 122.820 0.122 0.000 2.119 175 A HA 0.378 4.697 4.320 -0.001 0.000 0.217 175 A C 1.790 179.494 177.584 0.200 0.000 1.153 175 A CA 1.432 53.560 52.037 0.152 0.000 0.692 175 A CB -0.804 18.305 19.000 0.180 0.000 0.799 175 A HN 2.030 nan 8.150 nan 0.000 0.458 176 G N -2.326 106.650 108.800 0.295 0.000 2.145 176 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.176 176 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.176 176 G C -0.101 175.209 174.900 0.684 0.000 1.013 176 G CA -0.208 45.126 45.100 0.391 0.000 0.689 176 G HN 0.593 nan 8.290 nan 0.000 0.506 177 C N 1.467 121.059 119.300 0.487 0.000 2.391 177 C HA 0.837 5.296 4.460 -0.001 0.000 0.339 177 C C -1.506 173.492 174.990 0.015 0.000 1.205 177 C CA -1.382 57.753 59.018 0.194 0.000 1.937 177 C CB 1.822 29.599 27.740 0.061 0.000 2.341 177 C HN 0.454 nan 8.230 nan 0.000 0.516 178 P HA 0.650 nan 4.420 nan 0.000 0.281 178 P C -1.101 176.078 177.300 -0.202 0.000 1.264 178 P CA -0.346 62.607 63.100 -0.245 0.000 0.824 178 P CB 1.408 32.994 31.700 -0.190 0.000 1.092 179 I N -0.011 120.443 120.570 -0.193 0.000 2.752 179 I HA 0.352 4.521 4.170 -0.001 0.000 0.295 179 I C -1.590 174.460 176.117 -0.112 0.000 1.219 179 I CA -1.133 60.090 61.300 -0.129 0.000 1.030 179 I CB 2.303 40.243 38.000 -0.100 0.000 1.259 179 I HN -0.054 nan 8.210 nan 0.000 0.423 180 V N 7.256 127.124 119.914 -0.077 0.000 2.384 180 V HA 0.496 4.615 4.120 -0.001 0.000 0.287 180 V C -0.544 175.537 176.094 -0.022 0.000 1.020 180 V CA -0.540 61.726 62.300 -0.057 0.000 0.850 180 V CB 1.673 33.461 31.823 -0.058 0.000 0.987 180 V HN 0.437 nan 8.190 nan 0.000 0.436 181 V N 4.794 124.705 119.914 -0.006 0.000 2.448 181 V HA 0.517 4.636 4.120 -0.001 0.000 0.295 181 V C -0.003 176.113 176.094 0.037 0.000 1.025 181 V CA -0.941 61.371 62.300 0.020 0.000 0.859 181 V CB 1.925 33.765 31.823 0.029 0.000 0.988 181 V HN 0.744 nan 8.190 nan 0.000 0.431 182 K N 7.061 127.490 120.400 0.048 0.000 2.347 182 K HA 0.430 4.749 4.320 -0.001 0.000 0.262 182 K C -2.648 173.995 176.600 0.070 0.000 1.052 182 K CA -1.805 54.519 56.287 0.063 0.000 0.946 182 K CB 1.938 34.477 32.500 0.065 0.000 1.220 182 K HN 0.409 nan 8.250 nan 0.000 0.450 183 P HA 0.115 nan 4.420 nan 0.000 0.277 183 P C -0.758 176.596 177.300 0.090 0.000 1.271 183 P CA -0.536 62.609 63.100 0.075 0.000 0.795 183 P CB 0.522 32.269 31.700 0.078 0.000 1.101 184 A N 0.080 122.962 122.820 0.103 0.000 2.491 184 A HA 0.364 4.683 4.320 -0.001 0.000 0.261 184 A C 1.664 179.320 177.584 0.121 0.000 1.101 184 A CA 0.407 52.528 52.037 0.140 0.000 0.772 184 A CB -1.113 18.031 19.000 0.240 0.000 1.043 184 A HN 0.618 nan 8.150 nan 0.000 0.501 185 E N 2.012 122.267 120.200 0.092 0.000 2.333 185 E HA -0.173 4.176 4.350 -0.001 0.000 0.200 185 E C 1.956 178.621 176.600 0.108 0.000 1.010 185 E CA 1.909 58.368 56.400 0.099 0.000 0.841 185 E CB -0.456 29.119 29.700 -0.209 0.000 0.757 185 E HN 0.738 nan 8.360 nan 0.000 0.508 186 S N -0.628 115.107 115.700 0.058 0.000 2.470 186 S HA -0.001 4.468 4.470 -0.001 0.000 0.225 186 S C 1.244 175.859 174.600 0.024 0.000 1.006 186 S CA 1.309 59.519 58.200 0.016 0.000 0.934 186 S CB 0.133 63.279 63.200 -0.089 0.000 0.778 186 S HN 0.800 nan 8.310 nan 0.000 0.517 187 T N -0.946 113.637 114.554 0.049 0.000 3.954 187 T HA 0.339 4.688 4.350 -0.001 0.000 0.226 187 T C -2.419 172.269 174.700 -0.020 0.000 1.049 187 T CA -0.863 61.257 62.100 0.033 0.000 1.481 187 T CB 1.220 70.172 68.868 0.140 0.000 0.853 187 T HN 0.051 nan 8.240 nan 0.000 0.632 188 P HA 0.145 nan 4.420 nan 0.000 0.231 188 P C 1.028 178.268 177.300 -0.101 0.000 1.168 188 P CA 0.114 63.124 63.100 -0.151 0.000 0.779 188 P CB -0.149 31.409 31.700 -0.236 0.000 0.844 189 F N 0.935 120.893 119.950 0.014 0.000 2.186 189 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 189 F C 2.547 178.354 175.800 0.013 0.000 1.090 189 F CA 1.152 59.134 58.000 -0.030 0.000 1.307 189 F CB -1.613 37.337 39.000 -0.084 0.000 1.019 189 F HN -0.090 nan 8.300 nan 0.000 0.489 190 S N 0.035 115.862 115.700 0.213 0.000 2.368 190 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 190 S C 2.392 177.090 174.600 0.164 0.000 1.030 190 S CA 1.041 59.339 58.200 0.164 0.000 0.999 190 S CB -0.696 62.588 63.200 0.141 0.000 0.844 190 S HN 0.364 nan 8.310 nan 0.000 0.459 191 A N 1.286 124.198 122.820 0.153 0.000 1.902 191 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 191 A C 2.101 179.798 177.584 0.189 0.000 1.181 191 A CA 1.072 53.204 52.037 0.158 0.000 0.623 191 A CB -0.616 18.458 19.000 0.124 0.000 0.818 191 A HN 0.450 nan 8.150 nan 0.000 0.443 192 L N -0.956 120.390 121.223 0.206 0.000 2.072 192 L HA -0.121 4.218 4.340 -0.001 0.000 0.205 192 L C 3.118 180.162 176.870 0.290 0.000 1.079 192 L CA 0.865 55.878 54.840 0.288 0.000 0.752 192 L CB -0.617 41.622 42.059 0.300 0.000 0.906 192 L HN 0.423 nan 8.230 nan 0.000 0.436 193 A N 0.033 122.971 122.820 0.197 0.000 1.892 193 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 193 A C 2.293 180.042 177.584 0.274 0.000 1.188 193 A CA 2.103 54.242 52.037 0.170 0.000 0.631 193 A CB -0.526 18.540 19.000 0.110 0.000 0.822 193 A HN 0.374 nan 8.150 nan 0.000 0.447 194 M N -1.083 118.686 119.600 0.281 0.000 2.349 194 M HA -0.033 4.446 4.480 -0.001 0.000 0.266 194 M C 2.427 178.986 176.300 0.430 0.000 1.076 194 M CA 0.938 56.483 55.300 0.408 0.000 1.126 194 M CB -0.264 32.579 32.600 0.406 0.000 1.392 194 M HN 0.515 nan 8.290 nan 0.000 0.440 195 A N 0.011 122.969 122.820 0.229 0.000 1.930 195 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 195 A C 1.910 179.430 177.584 -0.108 0.000 1.175 195 A CA 1.189 53.189 52.037 -0.062 0.000 0.627 195 A CB -0.853 18.043 19.000 -0.173 0.000 0.815 195 A HN 0.500 nan 8.150 nan 0.000 0.443 196 F N 0.467 120.468 119.950 0.084 0.000 2.186 196 F HA -0.060 4.466 4.527 -0.001 0.000 0.299 196 F C 1.798 177.656 175.800 0.097 0.000 1.090 196 F CA 1.385 59.478 58.000 0.156 0.000 1.307 196 F CB -0.081 38.962 39.000 0.070 0.000 1.019 196 F HN 0.122 nan 8.300 nan 0.000 0.489 197 L N -0.691 120.661 121.223 0.215 0.000 2.240 197 L HA -0.036 4.303 4.340 -0.001 0.000 0.211 197 L C 2.660 179.627 176.870 0.162 0.000 1.106 197 L CA 0.821 55.787 54.840 0.211 0.000 0.793 197 L CB -1.014 41.277 42.059 0.387 0.000 0.927 197 L HN 0.187 nan 8.230 nan 0.000 0.446 198 A N 0.112 122.882 122.820 -0.084 0.000 1.930 198 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 198 A C 2.209 179.596 177.584 -0.328 0.000 1.175 198 A CA 1.606 53.257 52.037 -0.643 0.000 0.627 198 A CB -0.354 18.018 19.000 -1.047 0.000 0.815 198 A HN 0.439 nan 8.150 nan 0.000 0.443 199 E N -0.194 119.860 120.200 -0.244 0.000 2.038 199 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 199 E C 2.244 178.761 176.600 -0.138 0.000 1.000 199 E CA 1.368 57.681 56.400 -0.145 0.000 0.803 199 E CB -0.156 29.486 29.700 -0.097 0.000 0.750 199 E HN 0.545 nan 8.360 nan 0.000 0.448 200 R N -0.475 119.904 120.500 -0.202 0.000 2.127 200 R HA -0.120 4.219 4.340 -0.001 0.000 0.238 200 R C 2.191 178.473 176.300 -0.030 0.000 1.134 200 R CA 1.156 57.173 56.100 -0.139 0.000 0.975 200 R CB -0.206 29.995 30.300 -0.166 0.000 0.865 200 R HN 0.236 nan 8.270 nan 0.000 0.447 201 A N -0.786 122.038 122.820 0.007 0.000 2.067 201 A HA 0.124 4.444 4.320 -0.001 0.000 0.217 201 A C 1.342 178.958 177.584 0.053 0.000 1.156 201 A CA 1.140 53.224 52.037 0.078 0.000 0.683 201 A CB 0.039 19.145 19.000 0.176 0.000 0.808 201 A HN 0.481 nan 8.150 nan 0.000 0.455 202 G N -1.787 107.015 108.800 0.004 0.000 2.141 202 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.164 202 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.164 202 G C 0.017 174.936 174.900 0.032 0.000 1.009 202 G CA -0.118 44.998 45.100 0.026 0.000 0.677 202 G HN 0.678 nan 8.290 nan 0.000 0.508 203 V N 2.127 122.007 119.914 -0.057 0.000 2.450 203 V HA 0.254 4.374 4.120 -0.001 0.000 0.281 203 V C -1.014 175.015 176.094 -0.109 0.000 1.019 203 V CA -0.567 61.650 62.300 -0.138 0.000 1.062 203 V CB 0.794 32.410 31.823 -0.345 0.000 0.979 203 V HN 0.228 nan 8.190 nan 0.000 0.477 204 P HA 0.196 nan 4.420 nan 0.000 0.266 204 P C 0.074 177.311 177.300 -0.105 0.000 1.195 204 P CA -0.002 63.079 63.100 -0.032 0.000 0.768 204 P CB 0.294 32.029 31.700 0.058 0.000 0.838 205 K N 2.002 122.353 120.400 -0.082 0.000 2.543 205 K HA 0.278 4.597 4.320 -0.001 0.000 0.279 205 K C 1.454 177.960 176.600 -0.157 0.000 1.001 205 K CA 0.594 56.798 56.287 -0.138 0.000 1.088 205 K CB -1.598 30.837 32.500 -0.109 0.000 0.863 205 K HN 0.960 nan 8.250 nan 0.000 0.488 206 G N 0.302 108.967 108.800 -0.225 0.000 2.268 206 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.240 206 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.240 206 G C 1.400 176.171 174.900 -0.216 0.000 1.010 206 G CA 0.643 45.624 45.100 -0.199 0.000 0.618 206 G HN 1.223 nan 8.290 nan 0.000 0.516 207 V N 0.083 119.832 119.914 -0.275 0.000 2.667 207 V HA 0.328 4.447 4.120 -0.001 0.000 0.252 207 V C 0.966 176.832 176.094 -0.380 0.000 1.065 207 V CA 2.007 64.055 62.300 -0.420 0.000 1.083 207 V CB 0.148 31.523 31.823 -0.747 0.000 0.692 207 V HN 0.678 nan 8.190 nan 0.000 0.468 208 L N -0.519 120.532 121.223 -0.286 0.000 2.476 208 L HA 0.630 4.969 4.340 -0.001 0.000 0.269 208 L C -0.677 176.129 176.870 -0.107 0.000 0.965 208 L CA 0.231 54.952 54.840 -0.198 0.000 0.845 208 L CB 2.165 44.090 42.059 -0.224 0.000 1.259 208 L HN -0.055 nan 8.230 nan 0.000 0.403 209 S N 3.203 118.845 115.700 -0.098 0.000 2.566 209 S HA 0.837 5.306 4.470 -0.001 0.000 0.298 209 S C -1.097 173.505 174.600 0.004 0.000 1.083 209 S CA -0.655 57.495 58.200 -0.082 0.000 0.978 209 S CB 2.205 65.314 63.200 -0.153 0.000 1.073 209 S HN 0.408 nan 8.310 nan 0.000 0.491 210 V N 2.842 122.784 119.914 0.047 0.000 2.340 210 V HA 0.292 4.411 4.120 -0.001 0.000 0.277 210 V C -0.404 175.724 176.094 0.056 0.000 1.017 210 V CA -0.801 61.538 62.300 0.065 0.000 0.820 210 V CB 1.159 33.047 31.823 0.107 0.000 1.028 210 V HN 0.774 nan 8.190 nan 0.000 0.436 211 V N 4.189 124.126 119.914 0.039 0.000 2.455 211 V HA 0.530 4.649 4.120 -0.001 0.000 0.273 211 V C -0.020 176.119 176.094 0.075 0.000 1.045 211 V CA -0.332 61.994 62.300 0.044 0.000 0.976 211 V CB 0.810 32.650 31.823 0.028 0.000 0.993 211 V HN 0.522 nan 8.190 nan 0.000 0.475 212 I N 4.527 125.152 120.570 0.091 0.000 2.441 212 I HA 0.969 5.138 4.170 -0.001 0.000 0.295 212 I C 0.744 176.969 176.117 0.180 0.000 0.994 212 I CA 0.351 61.731 61.300 0.134 0.000 1.144 212 I CB 0.852 38.903 38.000 0.086 0.000 1.314 212 I HN 0.988 nan 8.210 nan 0.000 0.445 213 G N 5.293 114.256 108.800 0.272 0.000 2.534 213 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.142 213 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.142 213 G C -1.510 173.459 174.900 0.116 0.000 1.178 213 G CA -0.621 44.648 45.100 0.281 0.000 1.037 213 G HN 0.469 nan 8.290 nan 0.000 0.474 214 D N 2.005 122.439 120.400 0.058 0.000 2.325 214 D HA 0.505 5.144 4.640 -0.001 0.000 0.251 214 D C -0.560 175.739 176.300 -0.002 0.000 1.196 214 D CA -1.640 52.356 54.000 -0.008 0.000 0.866 214 D CB 1.881 42.682 40.800 0.003 0.000 1.101 214 D HN 0.013 nan 8.370 nan 0.000 0.476 215 P HA -0.187 nan 4.420 nan 0.000 0.215 215 P C 1.259 178.561 177.300 0.004 0.000 1.157 215 P CA 1.640 64.743 63.100 0.005 0.000 0.863 215 P CB 0.067 31.769 31.700 0.002 0.000 0.787 216 K N 0.579 120.974 120.400 -0.009 0.000 2.009 216 K HA -0.075 4.245 4.320 -0.001 0.000 0.210 216 K C 2.416 179.011 176.600 -0.009 0.000 1.049 216 K CA 2.110 58.389 56.287 -0.013 0.000 0.929 216 K CB -1.768 30.721 32.500 -0.017 0.000 0.714 216 K HN 0.204 nan 8.250 nan 0.000 0.440 217 A N 0.725 123.542 122.820 -0.004 0.000 1.877 217 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 217 A C 2.504 180.090 177.584 0.004 0.000 1.186 217 A CA 1.737 53.774 52.037 0.001 0.000 0.620 217 A CB -0.359 18.645 19.000 0.006 0.000 0.822 217 A HN 0.513 nan 8.150 nan 0.000 0.443 218 I N -0.496 120.080 120.570 0.011 0.000 2.233 218 I HA -0.140 4.029 4.170 -0.001 0.000 0.243 218 I C 2.727 178.849 176.117 0.009 0.000 1.093 218 I CA 1.016 62.325 61.300 0.015 0.000 1.380 218 I CB -0.648 37.370 38.000 0.029 0.000 1.067 218 I HN 0.387 nan 8.210 nan 0.000 0.413 219 G N 0.146 108.951 108.800 0.009 0.000 2.469 219 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 219 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 219 G C 1.650 176.541 174.900 -0.016 0.000 1.136 219 G CA 1.580 46.680 45.100 -0.001 0.000 0.759 219 G HN 0.299 nan 8.290 nan 0.000 0.562 220 T N 0.194 114.738 114.554 -0.017 0.000 2.942 220 T HA 0.004 4.353 4.350 -0.001 0.000 0.265 220 T C 2.174 176.863 174.700 -0.018 0.000 1.062 220 T CA 1.401 63.489 62.100 -0.021 0.000 1.139 220 T CB 0.026 68.883 68.868 -0.019 0.000 0.883 220 T HN 0.396 nan 8.240 nan 0.000 0.468 221 E N 1.452 121.645 120.200 -0.013 0.000 2.047 221 E HA -0.010 4.340 4.350 -0.001 0.000 0.191 221 E C 1.950 178.540 176.600 -0.017 0.000 0.987 221 E CA 1.007 57.399 56.400 -0.013 0.000 0.799 221 E CB -0.508 29.186 29.700 -0.010 0.000 0.752 221 E HN 0.495 nan 8.360 nan 0.000 0.449 222 I N 0.647 121.208 120.570 -0.015 0.000 2.208 222 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 222 I C 2.242 178.345 176.117 -0.024 0.000 1.097 222 I CA 1.822 63.111 61.300 -0.017 0.000 1.363 222 I CB -0.589 37.408 38.000 -0.006 0.000 1.051 222 I HN 0.276 nan 8.210 nan 0.000 0.413 223 T N -2.739 111.799 114.554 -0.027 0.000 3.055 223 T HA -0.008 4.342 4.350 -0.001 0.000 0.265 223 T C 1.642 176.324 174.700 -0.031 0.000 1.111 223 T CA 0.923 63.003 62.100 -0.034 0.000 1.118 223 T CB -0.213 68.628 68.868 -0.045 0.000 0.909 223 T HN 0.431 nan 8.240 nan 0.000 0.501 224 S N 0.102 115.786 115.700 -0.026 0.000 2.505 224 S HA 0.197 4.666 4.470 -0.001 0.000 0.216 224 S C 0.745 175.332 174.600 -0.021 0.000 1.018 224 S CA -0.601 57.586 58.200 -0.023 0.000 0.911 224 S CB -0.442 62.746 63.200 -0.020 0.000 0.818 224 S HN 0.361 nan 8.310 nan 0.000 0.497 225 N N 3.915 122.601 118.700 -0.023 0.000 2.452 225 N HA 0.182 4.921 4.740 -0.001 0.000 0.266 225 N C -1.811 173.684 175.510 -0.026 0.000 1.209 225 N CA -1.256 51.780 53.050 -0.023 0.000 0.929 225 N CB 1.428 39.900 38.487 -0.026 0.000 1.063 225 N HN 0.137 nan 8.380 nan 0.000 0.472 226 P HA -0.001 nan 4.420 nan 0.000 0.233 226 P C 1.380 178.665 177.300 -0.026 0.000 1.167 226 P CA 0.659 63.747 63.100 -0.020 0.000 0.770 226 P CB 0.440 32.134 31.700 -0.010 0.000 0.837 227 I N -0.591 119.960 120.570 -0.030 0.000 2.439 227 I HA -0.093 4.077 4.170 -0.001 0.000 0.251 227 I C 0.787 176.855 176.117 -0.082 0.000 1.139 227 I CA 0.581 61.855 61.300 -0.044 0.000 1.438 227 I CB -0.295 37.683 38.000 -0.037 0.000 1.085 227 I HN -0.277 nan 8.210 nan 0.000 0.427 228 V N 2.817 122.687 119.914 -0.073 0.000 2.403 228 V HA 0.022 4.141 4.120 -0.001 0.000 0.265 228 V C 1.251 177.297 176.094 -0.081 0.000 1.034 228 V CA 0.454 62.703 62.300 -0.084 0.000 1.036 228 V CB 0.145 31.932 31.823 -0.060 0.000 1.032 228 V HN 0.318 nan 8.190 nan 0.000 0.478 229 R N 3.115 123.550 120.500 -0.109 0.000 2.290 229 R HA 0.169 4.508 4.340 -0.001 0.000 0.197 229 R C 0.500 176.751 176.300 -0.082 0.000 0.913 229 R CA 0.110 56.156 56.100 -0.090 0.000 1.040 229 R CB 0.413 30.650 30.300 -0.105 0.000 0.992 229 R HN 0.745 nan 8.270 nan 0.000 0.500 230 K N 0.205 120.553 120.400 -0.087 0.000 2.523 230 K HA 0.352 4.671 4.320 -0.001 0.000 0.257 230 K C -1.847 174.716 176.600 -0.061 0.000 0.932 230 K CA -0.903 55.332 56.287 -0.086 0.000 0.812 230 K CB 1.831 34.253 32.500 -0.131 0.000 1.326 230 K HN -0.122 nan 8.250 nan 0.000 0.433 231 L N 1.740 122.932 121.223 -0.052 0.000 2.386 231 L HA 0.632 4.971 4.340 -0.001 0.000 0.271 231 L C -1.380 175.493 176.870 0.005 0.000 0.993 231 L CA 0.019 54.852 54.840 -0.011 0.000 0.819 231 L CB 2.345 44.402 42.059 -0.003 0.000 1.294 231 L HN 0.799 nan 8.230 nan 0.000 0.414 232 S N 4.875 120.605 115.700 0.051 0.000 2.733 232 S HA 0.553 5.022 4.470 -0.001 0.000 0.307 232 S C -1.208 173.468 174.600 0.126 0.000 1.127 232 S CA -0.452 57.788 58.200 0.067 0.000 1.097 232 S CB 0.101 63.339 63.200 0.064 0.000 1.003 232 S HN 0.495 nan 8.310 nan 0.000 0.477 233 F N 3.917 123.863 119.950 -0.008 0.000 2.458 233 F HA 0.746 5.272 4.527 -0.001 0.000 0.330 233 F C -0.340 175.461 175.800 0.001 0.000 1.082 233 F CA -0.158 57.840 58.000 -0.004 0.000 0.995 233 F CB 2.091 41.087 39.000 -0.006 0.000 1.170 233 F HN 0.404 nan 8.300 nan 0.000 0.478 234 T N 4.298 118.222 114.554 -1.050 0.000 2.965 234 T HA 0.717 5.066 4.350 -0.001 0.000 0.306 234 T C -0.254 173.767 174.700 -1.132 0.000 0.991 234 T CA -0.327 61.287 62.100 -0.810 0.000 1.001 234 T CB 0.973 69.625 68.868 -0.360 0.000 0.984 234 T HN 1.109 nan 8.240 nan 0.000 0.446 235 G N 1.847 110.155 108.800 -0.821 0.000 2.393 235 G HA2 0.509 4.468 3.960 -0.001 0.000 0.264 235 G HA3 0.509 4.468 3.960 -0.001 0.000 0.264 235 G C -0.487 174.422 174.900 0.015 0.000 1.221 235 G CA -0.232 44.649 45.100 -0.366 0.000 0.912 235 G HN 0.907 nan 8.290 nan 0.000 0.483 236 S N -0.493 115.283 115.700 0.126 0.000 2.573 236 S HA 0.352 4.821 4.470 -0.001 0.000 0.277 236 S C 1.327 176.045 174.600 0.197 0.000 1.346 236 S CA 1.149 59.407 58.200 0.097 0.000 1.034 236 S CB 1.167 64.400 63.200 0.055 0.000 0.879 236 S HN 0.793 nan 8.310 nan 0.000 0.528 237 T N 2.289 116.921 114.554 0.130 0.000 2.821 237 T HA -0.026 4.323 4.350 -0.001 0.000 0.267 237 T C 2.201 176.977 174.700 0.127 0.000 1.046 237 T CA 1.294 63.502 62.100 0.180 0.000 1.139 237 T CB -0.828 68.229 68.868 0.316 0.000 0.871 237 T HN 0.834 nan 8.240 nan 0.000 0.454 238 A N 1.123 124.007 122.820 0.107 0.000 1.883 238 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 238 A C 2.571 180.154 177.584 -0.003 0.000 1.186 238 A CA 1.592 53.664 52.037 0.058 0.000 0.624 238 A CB -1.040 17.994 19.000 0.057 0.000 0.822 238 A HN 0.370 nan 8.150 nan 0.000 0.444 239 V N -0.305 119.600 119.914 -0.016 0.000 2.379 239 V HA -0.104 4.015 4.120 -0.001 0.000 0.245 239 V C 2.812 178.684 176.094 -0.370 0.000 1.044 239 V CA 1.730 63.934 62.300 -0.160 0.000 1.036 239 V CB -1.394 30.360 31.823 -0.116 0.000 0.664 239 V HN 0.617 nan 8.190 nan 0.000 0.453 240 G N -0.165 108.441 108.800 -0.323 0.000 2.440 240 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.218 240 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.218 240 G C 1.736 176.536 174.900 -0.168 0.000 1.154 240 G CA 0.842 45.749 45.100 -0.322 0.000 0.767 240 G HN 0.402 nan 8.290 nan 0.000 0.552 241 R N -0.280 120.173 120.500 -0.079 0.000 2.094 241 R HA -0.025 4.314 4.340 -0.001 0.000 0.239 241 R C 2.663 178.912 176.300 -0.085 0.000 1.137 241 R CA 1.393 57.462 56.100 -0.053 0.000 0.943 241 R CB -0.496 29.793 30.300 -0.018 0.000 0.850 241 R HN 0.352 nan 8.270 nan 0.000 0.433 242 L N 0.297 121.453 121.223 -0.112 0.000 2.046 242 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 242 L C 2.346 179.136 176.870 -0.134 0.000 1.077 242 L CA 1.210 55.984 54.840 -0.110 0.000 0.747 242 L CB -0.451 41.543 42.059 -0.108 0.000 0.896 242 L HN 0.218 nan 8.230 nan 0.000 0.432 243 L N -1.014 120.083 121.223 -0.210 0.000 2.083 243 L HA -0.257 4.082 4.340 -0.001 0.000 0.209 243 L C 2.661 179.457 176.870 -0.124 0.000 1.083 243 L CA 1.285 56.005 54.840 -0.200 0.000 0.752 243 L CB -0.382 41.480 42.059 -0.328 0.000 0.899 243 L HN 0.348 nan 8.230 nan 0.000 0.433 244 M N -0.347 119.188 119.600 -0.109 0.000 2.117 244 M HA -0.224 4.255 4.480 -0.001 0.000 0.262 244 M C 2.370 178.637 176.300 -0.055 0.000 1.065 244 M CA 2.003 57.264 55.300 -0.066 0.000 1.114 244 M CB -0.087 32.483 32.600 -0.051 0.000 1.361 244 M HN 0.275 nan 8.290 nan 0.000 0.408 245 A N 0.101 122.886 122.820 -0.058 0.000 1.858 245 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 245 A C 1.906 179.463 177.584 -0.045 0.000 1.190 245 A CA 1.962 53.971 52.037 -0.047 0.000 0.617 245 A CB -0.935 18.038 19.000 -0.046 0.000 0.827 245 A HN 0.707 nan 8.150 nan 0.000 0.443 246 Q N -0.108 119.659 119.800 -0.055 0.000 2.226 246 Q HA -0.079 4.261 4.340 -0.001 0.000 0.204 246 Q C 1.994 177.969 176.000 -0.043 0.000 0.975 246 Q CA 1.540 57.314 55.803 -0.049 0.000 0.866 246 Q CB -0.135 28.568 28.738 -0.057 0.000 0.915 246 Q HN 0.631 nan 8.270 nan 0.000 0.440 247 S N 0.301 115.973 115.700 -0.047 0.000 2.558 247 S HA 0.119 4.588 4.470 -0.001 0.000 0.217 247 S C 1.819 176.399 174.600 -0.033 0.000 0.975 247 S CA 0.361 58.537 58.200 -0.040 0.000 0.912 247 S CB 0.179 63.352 63.200 -0.044 0.000 0.776 247 S HN 0.424 nan 8.310 nan 0.000 0.526 248 A N 3.133 125.934 122.820 -0.032 0.000 1.865 248 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 248 A C -0.121 177.450 177.584 -0.021 0.000 1.191 248 A CA 1.386 53.408 52.037 -0.026 0.000 0.623 248 A CB -1.958 17.027 19.000 -0.025 0.000 0.826 248 A HN 0.354 nan 8.150 nan 0.000 0.444 249 P HA -0.144 nan 4.420 nan 0.000 0.218 249 P C 1.126 178.417 177.300 -0.015 0.000 1.146 249 P CA 2.078 65.168 63.100 -0.017 0.000 0.820 249 P CB -0.259 31.431 31.700 -0.017 0.000 0.778 250 T N -6.102 108.441 114.554 -0.018 0.000 3.044 250 T HA 0.210 4.559 4.350 -0.001 0.000 0.260 250 T C 0.752 175.441 174.700 -0.018 0.000 1.019 250 T CA -0.288 61.802 62.100 -0.017 0.000 0.921 250 T CB -0.538 68.318 68.868 -0.020 0.000 1.053 250 T HN -0.074 nan 8.240 nan 0.000 0.533 251 V N 1.733 121.636 119.914 -0.019 0.000 5.479 251 V HA -0.243 3.876 4.120 -0.001 0.000 0.289 251 V C 0.193 176.274 176.094 -0.022 0.000 0.595 251 V CA 0.681 62.970 62.300 -0.018 0.000 0.649 251 V CB -1.708 30.108 31.823 -0.012 0.000 0.390 251 V HN 0.672 nan 8.190 nan 0.000 0.974 252 K N 0.965 121.348 120.400 -0.029 0.000 2.414 252 K HA 0.172 4.491 4.320 -0.001 0.000 0.272 252 K C 0.293 176.869 176.600 -0.041 0.000 0.993 252 K CA -0.057 56.208 56.287 -0.037 0.000 0.964 252 K CB 0.540 33.016 32.500 -0.040 0.000 0.925 252 K HN 0.470 nan 8.250 nan 0.000 0.487 253 K N 2.746 123.116 120.400 -0.052 0.000 2.339 253 K HA 0.117 4.436 4.320 -0.001 0.000 0.286 253 K C -1.093 175.460 176.600 -0.079 0.000 1.050 253 K CA -0.143 56.106 56.287 -0.064 0.000 0.956 253 K CB 0.330 32.784 32.500 -0.077 0.000 0.990 253 K HN 0.230 nan 8.250 nan 0.000 0.475 254 L N 3.519 124.703 121.223 -0.066 0.000 2.362 254 L HA 0.475 4.814 4.340 -0.001 0.000 0.271 254 L C -0.631 176.208 176.870 -0.052 0.000 1.002 254 L CA -0.212 54.598 54.840 -0.050 0.000 0.818 254 L CB 2.217 44.262 42.059 -0.025 0.000 1.298 254 L HN 0.724 nan 8.230 nan 0.000 0.420 255 T N 4.433 118.965 114.554 -0.036 0.000 2.815 255 T HA 0.659 5.008 4.350 -0.001 0.000 0.289 255 T C -0.524 174.210 174.700 0.057 0.000 1.000 255 T CA -0.324 61.769 62.100 -0.012 0.000 0.958 255 T CB 0.552 69.392 68.868 -0.048 0.000 0.944 255 T HN 0.260 nan 8.240 nan 0.000 0.442 256 L N 3.191 124.459 121.223 0.075 0.000 2.319 256 L HA 0.533 4.873 4.340 -0.001 0.000 0.281 256 L C 0.184 177.120 176.870 0.110 0.000 1.005 256 L CA -0.832 54.093 54.840 0.141 0.000 0.828 256 L CB 1.468 43.614 42.059 0.145 0.000 1.227 256 L HN 0.429 nan 8.230 nan 0.000 0.415 257 E N 5.563 125.819 120.200 0.092 0.000 2.167 257 E HA 0.428 4.778 4.350 -0.001 0.000 0.247 257 E C -0.398 176.235 176.600 0.055 0.000 0.961 257 E CA -0.164 56.281 56.400 0.076 0.000 0.797 257 E CB 1.608 31.354 29.700 0.077 0.000 1.182 257 E HN 0.543 nan 8.360 nan 0.000 0.437 258 L N -0.165 121.111 121.223 0.088 0.000 2.902 258 L HA 0.548 4.887 4.340 -0.001 0.000 0.229 258 L C 1.271 178.160 176.870 0.032 0.000 1.324 258 L CA -1.128 53.773 54.840 0.100 0.000 1.230 258 L CB 0.081 42.236 42.059 0.159 0.000 2.134 258 L HN 0.336 nan 8.230 nan 0.000 0.567 259 G N -1.379 107.396 108.800 -0.042 0.000 2.636 259 G HA2 0.457 4.416 3.960 -0.001 0.000 0.246 259 G HA3 0.457 4.416 3.960 -0.001 0.000 0.246 259 G C -0.308 174.405 174.900 -0.311 0.000 1.216 259 G CA 0.324 45.275 45.100 -0.249 0.000 0.854 259 G HN 0.750 nan 8.290 nan 0.000 0.572 260 G N -1.081 107.540 108.800 -0.299 0.000 3.022 260 G HA2 0.461 4.421 3.960 -0.001 0.000 0.284 260 G HA3 0.461 4.421 3.960 -0.001 0.000 0.284 260 G C -0.702 174.159 174.900 -0.065 0.000 1.375 260 G CA -0.512 44.526 45.100 -0.102 0.000 0.902 260 G HN 0.694 nan 8.290 nan 0.000 0.538 261 N N -0.913 117.876 118.700 0.148 0.000 2.605 261 N HA 0.312 5.051 4.740 -0.001 0.000 0.265 261 N C 0.017 175.636 175.510 0.181 0.000 1.625 261 N CA -0.000 53.161 53.050 0.185 0.000 0.862 261 N CB 0.526 39.208 38.487 0.325 0.000 1.415 261 N HN 0.771 nan 8.380 nan 0.000 0.513 262 A N 1.717 124.598 122.820 0.101 0.000 2.561 262 A HA 0.327 4.646 4.320 -0.001 0.000 0.251 262 A C -2.257 175.321 177.584 -0.010 0.000 1.062 262 A CA -0.198 51.855 52.037 0.027 0.000 0.761 262 A CB -0.263 18.783 19.000 0.078 0.000 0.986 262 A HN 0.289 nan 8.150 nan 0.000 0.510 263 P HA 0.364 nan 4.420 nan 0.000 0.294 263 P C -0.963 176.376 177.300 0.064 0.000 1.294 263 P CA -0.226 62.882 63.100 0.013 0.000 0.827 263 P CB 0.685 32.441 31.700 0.094 0.000 0.992 264 F N 4.329 124.208 119.950 -0.119 0.000 2.332 264 F HA 0.472 4.999 4.527 -0.001 0.000 0.368 264 F C -0.401 175.460 175.800 0.102 0.000 1.110 264 F CA -0.768 57.211 58.000 -0.035 0.000 1.087 264 F CB 0.309 39.054 39.000 -0.424 0.000 1.235 264 F HN 0.126 nan 8.300 nan 0.000 0.470 265 I N 6.747 127.297 120.570 -0.033 0.000 2.321 265 I HA 0.327 4.496 4.170 -0.001 0.000 0.291 265 I C -0.886 175.283 176.117 0.086 0.000 0.998 265 I CA -0.789 60.539 61.300 0.046 0.000 1.227 265 I CB 1.447 39.416 38.000 -0.053 0.000 1.368 265 I HN 0.190 nan 8.210 nan 0.000 0.466 266 V N 7.316 127.325 119.914 0.159 0.000 2.325 266 V HA 0.338 4.458 4.120 -0.001 0.000 0.280 266 V C -0.097 176.129 176.094 0.221 0.000 1.016 266 V CA -0.518 61.855 62.300 0.122 0.000 0.818 266 V CB 0.683 32.366 31.823 -0.233 0.000 1.019 266 V HN 0.409 nan 8.190 nan 0.000 0.434 267 F N 2.033 122.155 119.950 0.287 0.000 2.399 267 F HA 0.186 4.712 4.527 -0.001 0.000 0.313 267 F C 1.827 177.683 175.800 0.093 0.000 1.202 267 F CA 0.427 58.611 58.000 0.307 0.000 1.192 267 F CB 0.590 39.744 39.000 0.256 0.000 1.256 267 F HN 0.644 nan 8.300 nan 0.000 0.558 268 D N 0.752 121.231 120.400 0.130 0.000 2.248 268 D HA -0.311 4.329 4.640 -0.001 0.000 0.189 268 D C 1.468 177.788 176.300 0.033 0.000 1.011 268 D CA 2.431 56.353 54.000 -0.131 0.000 0.868 268 D CB -0.204 40.405 40.800 -0.318 0.000 0.931 268 D HN 0.598 nan 8.370 nan 0.000 0.449 269 D N -0.335 120.130 120.400 0.109 0.000 2.339 269 D HA 0.132 4.771 4.640 -0.001 0.000 0.217 269 D C 0.506 176.882 176.300 0.127 0.000 1.050 269 D CA 0.298 54.352 54.000 0.090 0.000 0.856 269 D CB -0.761 40.075 40.800 0.061 0.000 0.922 269 D HN 0.351 nan 8.370 nan 0.000 0.518 270 A N 0.981 123.913 122.820 0.186 0.000 2.555 270 A HA 0.028 4.347 4.320 -0.001 0.000 0.233 270 A C 0.351 178.048 177.584 0.188 0.000 1.060 270 A CA 0.008 52.180 52.037 0.227 0.000 0.759 270 A CB 0.072 19.240 19.000 0.280 0.000 0.995 270 A HN 0.156 nan 8.150 nan 0.000 0.506 271 D N 2.216 122.745 120.400 0.216 0.000 2.346 271 D HA 0.111 4.750 4.640 -0.001 0.000 0.260 271 D C 0.938 177.342 176.300 0.174 0.000 1.252 271 D CA -0.407 53.699 54.000 0.177 0.000 0.895 271 D CB 0.446 41.354 40.800 0.180 0.000 1.097 271 D HN 0.250 nan 8.370 nan 0.000 0.489 272 L N 3.998 125.309 121.223 0.147 0.000 2.017 272 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 272 L C 1.844 178.794 176.870 0.133 0.000 1.073 272 L CA 1.365 56.308 54.840 0.173 0.000 0.745 272 L CB -1.031 41.126 42.059 0.162 0.000 0.894 272 L HN 0.440 nan 8.230 nan 0.000 0.432 273 D N -0.156 120.297 120.400 0.089 0.000 2.149 273 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 273 D C 2.194 178.541 176.300 0.078 0.000 0.990 273 D CA 1.483 55.518 54.000 0.058 0.000 0.839 273 D CB 0.085 40.913 40.800 0.048 0.000 0.948 273 D HN 0.302 nan 8.370 nan 0.000 0.460 274 A N 0.801 123.696 122.820 0.125 0.000 1.929 274 A HA 0.066 4.386 4.320 -0.001 0.000 0.216 274 A C 2.293 179.938 177.584 0.101 0.000 1.176 274 A CA 1.791 53.944 52.037 0.192 0.000 0.628 274 A CB -0.528 18.654 19.000 0.304 0.000 0.816 274 A HN 0.222 nan 8.150 nan 0.000 0.444 275 A N -0.505 122.260 122.820 -0.091 0.000 1.930 275 A HA 0.021 4.340 4.320 -0.001 0.000 0.217 275 A C 2.194 179.829 177.584 0.085 0.000 1.175 275 A CA 1.716 53.491 52.037 -0.436 0.000 0.627 275 A CB -0.811 18.126 19.000 -0.106 0.000 0.815 275 A HN 0.350 nan 8.150 nan 0.000 0.443 276 V N 0.087 120.067 119.914 0.111 0.000 2.358 276 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 276 V C 3.088 179.168 176.094 -0.023 0.000 1.047 276 V CA 2.495 64.774 62.300 -0.035 0.000 1.035 276 V CB -1.210 30.518 31.823 -0.159 0.000 0.658 276 V HN 0.780 nan 8.190 nan 0.000 0.452 277 E N 0.306 120.526 120.200 0.034 0.000 2.204 277 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 277 E C 2.223 178.888 176.600 0.109 0.000 0.990 277 E CA 1.377 57.814 56.400 0.062 0.000 0.821 277 E CB -1.018 28.734 29.700 0.086 0.000 0.750 277 E HN 0.678 nan 8.360 nan 0.000 0.477 278 G N -0.424 108.492 108.800 0.193 0.000 2.551 278 G HA2 0.227 4.186 3.960 -0.001 0.000 0.216 278 G HA3 0.227 4.186 3.960 -0.001 0.000 0.216 278 G C 1.852 176.786 174.900 0.057 0.000 1.137 278 G CA 1.155 46.450 45.100 0.326 0.000 0.798 278 G HN 0.762 nan 8.290 nan 0.000 0.536 279 A N 1.253 123.964 122.820 -0.181 0.000 1.872 279 A HA 0.141 4.460 4.320 -0.001 0.000 0.214 279 A C 2.280 179.817 177.584 -0.078 0.000 1.187 279 A CA 0.963 52.748 52.037 -0.420 0.000 0.614 279 A CB -0.249 18.615 19.000 -0.227 0.000 0.826 279 A HN 0.219 nan 8.150 nan 0.000 0.442 280 I N 0.342 120.924 120.570 0.021 0.000 2.208 280 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 280 I C 2.916 179.100 176.117 0.112 0.000 1.097 280 I CA 1.620 63.008 61.300 0.148 0.000 1.363 280 I CB -1.635 36.388 38.000 0.039 0.000 1.051 280 I HN 0.365 nan 8.210 nan 0.000 0.413 281 A N 0.967 123.811 122.820 0.041 0.000 1.898 281 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 281 A C 2.497 180.065 177.584 -0.027 0.000 1.181 281 A CA 2.318 54.373 52.037 0.029 0.000 0.620 281 A CB -0.697 18.332 19.000 0.048 0.000 0.819 281 A HN 0.562 nan 8.150 nan 0.000 0.442 282 S N -1.181 114.440 115.700 -0.131 0.000 2.478 282 S HA 0.036 4.505 4.470 -0.001 0.000 0.222 282 S C 1.673 176.120 174.600 -0.254 0.000 1.008 282 S CA 1.178 59.216 58.200 -0.270 0.000 0.928 282 S CB 0.058 62.880 63.200 -0.629 0.000 0.781 282 S HN 0.464 nan 8.310 nan 0.000 0.518 283 K N 0.368 120.621 120.400 -0.244 0.000 2.244 283 K HA 0.279 4.599 4.320 -0.001 0.000 0.200 283 K C 0.724 177.076 176.600 -0.415 0.000 1.052 283 K CA 0.682 56.749 56.287 -0.366 0.000 0.980 283 K CB -0.236 32.024 32.500 -0.400 0.000 0.838 283 K HN 0.425 nan 8.250 nan 0.000 0.481 284 Y N 0.350 120.634 120.300 -0.026 0.000 2.467 284 Y HA 0.354 4.903 4.550 -0.001 0.000 0.250 284 Y C 0.092 175.990 175.900 -0.002 0.000 1.155 284 Y CA -0.544 57.553 58.100 -0.006 0.000 1.249 284 Y CB 0.404 38.861 38.460 -0.005 0.000 1.146 284 Y HN -0.129 nan 8.280 nan 0.000 0.524 285 R N 1.838 122.394 120.500 0.095 0.000 2.442 285 R HA 0.059 4.398 4.340 -0.001 0.000 0.291 285 R C 0.509 176.839 176.300 0.050 0.000 1.069 285 R CA 0.297 56.441 56.100 0.074 0.000 1.022 285 R CB 0.014 30.354 30.300 0.067 0.000 0.976 285 R HN 0.229 nan 8.270 nan 0.000 0.443 286 N N 2.992 121.713 118.700 0.035 0.000 2.725 286 N HA -0.284 4.456 4.740 -0.001 0.000 0.249 286 N C -0.844 174.690 175.510 0.041 0.000 1.103 286 N CA 1.324 54.372 53.050 -0.004 0.000 0.707 286 N CB -1.269 37.158 38.487 -0.099 0.000 1.043 286 N HN 0.911 nan 8.380 nan 0.000 0.553 287 N N -1.040 117.707 118.700 0.078 0.000 2.714 287 N HA -0.181 4.558 4.740 -0.001 0.000 0.250 287 N C 0.698 176.243 175.510 0.058 0.000 1.117 287 N CA 2.450 55.566 53.050 0.111 0.000 0.719 287 N CB -1.440 37.112 38.487 0.109 0.000 1.081 287 N HN 1.348 nan 8.380 nan 0.000 0.557 288 G N -1.389 107.402 108.800 -0.014 0.000 2.137 288 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.237 288 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.237 288 G C 0.369 175.161 174.900 -0.181 0.000 1.002 288 G CA 0.563 45.588 45.100 -0.125 0.000 0.702 288 G HN 0.597 nan 8.290 nan 0.000 0.515 289 Q N 0.048 119.788 119.800 -0.099 0.000 2.219 289 Q HA 0.193 4.532 4.340 -0.001 0.000 0.209 289 Q C 1.215 177.094 176.000 -0.201 0.000 0.854 289 Q CA 0.564 56.307 55.803 -0.100 0.000 0.960 289 Q CB 0.767 29.712 28.738 0.344 0.000 1.116 289 Q HN 0.704 nan 8.270 nan 0.000 0.500 290 T N -2.185 112.295 114.554 -0.123 0.000 2.901 290 T HA 0.051 4.400 4.350 -0.001 0.000 0.301 290 T C 1.552 176.177 174.700 -0.125 0.000 1.012 290 T CA -0.555 61.603 62.100 0.097 0.000 1.135 290 T CB 1.175 70.200 68.868 0.261 0.000 0.936 290 T HN 0.427 nan 8.240 nan 0.000 0.539 291 C N 2.303 121.614 119.300 0.018 0.000 2.422 291 C HA 0.027 4.487 4.460 -0.001 0.000 0.286 291 C C 2.299 177.294 174.990 0.009 0.000 1.412 291 C CA 0.205 59.228 59.018 0.008 0.000 1.786 291 C CB -2.121 25.703 27.740 0.140 0.000 1.835 291 C HN 0.884 nan 8.230 nan 0.000 0.533 292 V N -2.164 117.792 119.914 0.070 0.000 3.633 292 V HA 0.263 4.382 4.120 -0.001 0.000 0.283 292 V C 1.020 177.181 176.094 0.112 0.000 1.305 292 V CA -0.528 61.831 62.300 0.099 0.000 1.153 292 V CB -2.180 29.753 31.823 0.183 0.000 0.950 292 V HN 0.609 nan 8.190 nan 0.000 0.432 293 C N 2.321 121.602 119.300 -0.031 0.000 2.642 293 C HA 0.253 4.713 4.460 -0.001 0.000 0.420 293 C C 1.468 176.420 174.990 -0.064 0.000 1.349 293 C CA 0.414 59.378 59.018 -0.090 0.000 1.821 293 C CB -0.366 27.232 27.740 -0.236 0.000 2.637 293 C HN 0.654 nan 8.230 nan 0.000 0.605 294 T N 4.445 118.934 114.554 -0.108 0.000 2.866 294 T HA -0.061 4.288 4.350 -0.001 0.000 0.293 294 T C 0.969 175.536 174.700 -0.223 0.000 1.005 294 T CA 0.832 62.811 62.100 -0.202 0.000 1.162 294 T CB 0.061 68.597 68.868 -0.553 0.000 0.968 294 T HN 0.811 nan 8.240 nan 0.000 0.530 295 N N 2.517 121.127 118.700 -0.151 0.000 2.460 295 N HA 0.112 4.851 4.740 -0.001 0.000 0.193 295 N C -0.065 175.402 175.510 -0.072 0.000 1.080 295 N CA 0.258 53.265 53.050 -0.073 0.000 0.869 295 N CB 0.645 39.134 38.487 0.004 0.000 1.201 295 N HN 0.425 nan 8.380 nan 0.000 0.457 296 R N -0.006 120.372 120.500 -0.203 0.000 2.451 296 R HA 0.297 4.636 4.340 -0.001 0.000 0.307 296 R C -1.365 174.651 176.300 -0.473 0.000 0.965 296 R CA -0.611 55.243 56.100 -0.409 0.000 0.865 296 R CB 1.065 30.869 30.300 -0.827 0.000 1.174 296 R HN -0.022 nan 8.270 nan 0.000 0.455 297 F N 3.097 122.950 119.950 -0.162 0.000 2.445 297 F HA 0.280 4.807 4.527 -0.001 0.000 0.359 297 F C -0.032 175.662 175.800 -0.178 0.000 1.101 297 F CA 0.053 58.041 58.000 -0.020 0.000 1.177 297 F CB 0.515 39.594 39.000 0.132 0.000 1.110 297 F HN 0.348 nan 8.300 nan 0.000 0.522 298 F N 3.680 123.808 119.950 0.297 0.000 2.366 298 F HA 0.495 5.021 4.527 -0.001 0.000 0.366 298 F C -0.496 175.557 175.800 0.421 0.000 1.096 298 F CA -0.991 57.179 58.000 0.284 0.000 1.060 298 F CB 1.073 40.044 39.000 -0.049 0.000 1.282 298 F HN -0.017 nan 8.300 nan 0.000 0.450 299 V N 2.983 123.244 119.914 0.579 0.000 2.459 299 V HA 0.249 4.368 4.120 -0.001 0.000 0.295 299 V C 0.091 176.146 176.094 -0.064 0.000 1.029 299 V CA -0.983 61.462 62.300 0.240 0.000 0.874 299 V CB 1.424 33.260 31.823 0.021 0.000 0.985 299 V HN 0.544 nan 8.190 nan 0.000 0.438 300 H N 3.433 122.146 119.070 -0.595 0.000 2.886 300 H HA 0.078 4.634 4.556 -0.001 0.000 0.329 300 H C 1.303 176.420 175.328 -0.352 0.000 1.044 300 H CA 0.689 56.123 56.048 -1.024 0.000 1.456 300 H CB 0.869 30.192 29.762 -0.732 0.000 1.464 300 H HN 0.834 nan 8.280 nan 0.000 0.573 301 E N 4.031 124.056 120.200 -0.292 0.000 2.164 301 E HA -0.293 4.056 4.350 -0.001 0.000 0.206 301 E C 1.721 178.400 176.600 0.131 0.000 1.032 301 E CA 1.608 57.984 56.400 -0.040 0.000 0.832 301 E CB 0.139 29.771 29.700 -0.112 0.000 0.742 301 E HN 0.661 nan 8.360 nan 0.000 0.460 302 R N -0.088 120.568 120.500 0.259 0.000 2.280 302 R HA -0.055 4.284 4.340 -0.001 0.000 0.207 302 R C 1.975 178.330 176.300 0.091 0.000 1.043 302 R CA 1.139 57.312 56.100 0.122 0.000 1.006 302 R CB 0.163 30.483 30.300 0.033 0.000 0.885 302 R HN 0.184 nan 8.270 nan 0.000 0.467 303 V N -4.428 115.557 119.914 0.118 0.000 3.330 303 V HA 0.122 4.242 4.120 -0.001 0.000 0.309 303 V C 1.431 177.635 176.094 0.184 0.000 1.481 303 V CA -0.530 61.843 62.300 0.121 0.000 1.068 303 V CB -0.682 31.195 31.823 0.089 0.000 0.935 303 V HN 0.038 nan 8.190 nan 0.000 0.453 304 Y N 2.443 122.786 120.300 0.071 0.000 2.053 304 Y HA -0.244 4.306 4.550 -0.001 0.000 0.277 304 Y C 2.229 178.201 175.900 0.119 0.000 1.159 304 Y CA 2.698 60.858 58.100 0.101 0.000 1.125 304 Y CB -0.115 38.378 38.460 0.055 0.000 0.969 304 Y HN 0.322 nan 8.280 nan 0.000 0.492 305 D N -0.211 120.375 120.400 0.310 0.000 2.133 305 D HA -0.218 4.421 4.640 -0.001 0.000 0.195 305 D C 2.179 178.525 176.300 0.077 0.000 0.997 305 D CA 1.562 55.670 54.000 0.180 0.000 0.840 305 D CB -0.548 40.338 40.800 0.145 0.000 0.947 305 D HN 0.496 nan 8.370 nan 0.000 0.452 306 A N -0.191 122.685 122.820 0.092 0.000 1.897 306 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 306 A C 2.078 179.688 177.584 0.044 0.000 1.181 306 A CA 0.835 52.909 52.037 0.061 0.000 0.620 306 A CB -0.915 18.132 19.000 0.078 0.000 0.821 306 A HN 0.283 nan 8.150 nan 0.000 0.443 307 F N 1.046 120.950 119.950 -0.077 0.000 2.186 307 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 307 F C 2.443 178.123 175.800 -0.199 0.000 1.090 307 F CA 1.022 58.947 58.000 -0.125 0.000 1.307 307 F CB -0.348 38.580 39.000 -0.119 0.000 1.019 307 F HN 0.246 nan 8.300 nan 0.000 0.489 308 A N 0.286 122.962 122.820 -0.241 0.000 1.858 308 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 308 A C 2.009 179.425 177.584 -0.279 0.000 1.190 308 A CA 1.981 53.818 52.037 -0.334 0.000 0.617 308 A CB -1.115 17.739 19.000 -0.244 0.000 0.827 308 A HN 0.427 nan 8.150 nan 0.000 0.443 309 D N -0.175 120.124 120.400 -0.169 0.000 2.116 309 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 309 D C 1.905 178.101 176.300 -0.174 0.000 0.998 309 D CA 1.591 55.513 54.000 -0.131 0.000 0.836 309 D CB -0.293 40.465 40.800 -0.071 0.000 0.951 309 D HN 0.506 nan 8.370 nan 0.000 0.449 310 K N -0.228 120.044 120.400 -0.214 0.000 2.097 310 K HA -0.074 4.245 4.320 -0.001 0.000 0.205 310 K C 2.033 178.442 176.600 -0.318 0.000 1.050 310 K CA 0.196 56.348 56.287 -0.225 0.000 0.938 310 K CB -0.095 32.289 32.500 -0.193 0.000 0.718 310 K HN 0.015 nan 8.250 nan 0.000 0.442 311 L N 1.079 122.001 121.223 -0.501 0.000 2.005 311 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 311 L C 2.207 178.880 176.870 -0.328 0.000 1.072 311 L CA 1.839 56.363 54.840 -0.527 0.000 0.744 311 L CB -0.759 40.817 42.059 -0.805 0.000 0.895 311 L HN 0.109 nan 8.230 nan 0.000 0.433 312 A N -0.448 122.207 122.820 -0.275 0.000 1.948 312 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 312 A C 2.433 179.920 177.584 -0.162 0.000 1.177 312 A CA 2.092 54.016 52.037 -0.188 0.000 0.636 312 A CB -1.242 17.670 19.000 -0.146 0.000 0.815 312 A HN 0.606 nan 8.150 nan 0.000 0.449 313 A N -0.437 122.288 122.820 -0.158 0.000 1.933 313 A HA 0.173 4.493 4.320 -0.001 0.000 0.218 313 A C 2.461 179.964 177.584 -0.134 0.000 1.175 313 A CA 2.066 54.028 52.037 -0.126 0.000 0.628 313 A CB -0.851 18.083 19.000 -0.110 0.000 0.814 313 A HN 1.070 nan 8.150 nan 0.000 0.444 314 A N -0.755 121.965 122.820 -0.165 0.000 1.930 314 A HA 0.135 4.455 4.320 -0.001 0.000 0.215 314 A C 2.162 179.628 177.584 -0.197 0.000 1.176 314 A CA 1.402 53.342 52.037 -0.162 0.000 0.632 314 A CB -0.691 18.208 19.000 -0.169 0.000 0.819 314 A HN 0.338 nan 8.150 nan 0.000 0.445 315 V N 1.070 120.838 119.914 -0.243 0.000 2.343 315 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 315 V C 2.988 178.948 176.094 -0.224 0.000 1.051 315 V CA 2.307 64.414 62.300 -0.322 0.000 1.036 315 V CB -0.946 30.682 31.823 -0.324 0.000 0.654 315 V HN 0.809 nan 8.190 nan 0.000 0.451 316 S N 1.084 116.690 115.700 -0.158 0.000 2.419 316 S HA -0.204 4.265 4.470 -0.001 0.000 0.233 316 S C 2.009 176.549 174.600 -0.100 0.000 1.016 316 S CA 1.700 59.833 58.200 -0.111 0.000 0.974 316 S CB -0.529 62.617 63.200 -0.090 0.000 0.786 316 S HN 0.637 nan 8.310 nan 0.000 0.492 317 K N 0.947 121.281 120.400 -0.110 0.000 2.486 317 K HA 0.457 4.776 4.320 -0.001 0.000 0.194 317 K C 0.902 177.448 176.600 -0.090 0.000 1.033 317 K CA 0.625 56.860 56.287 -0.088 0.000 1.004 317 K CB -0.786 31.665 32.500 -0.081 0.000 0.798 317 K HN 0.618 nan 8.250 nan 0.000 0.495 318 L N 0.211 121.361 121.223 -0.121 0.000 2.421 318 L HA 0.395 4.734 4.340 -0.001 0.000 0.263 318 L C 0.219 177.037 176.870 -0.086 0.000 1.122 318 L CA -0.690 54.081 54.840 -0.114 0.000 0.804 318 L CB 1.543 43.495 42.059 -0.180 0.000 1.150 318 L HN 0.216 nan 8.230 nan 0.000 0.457 319 K N 0.872 121.232 120.400 -0.067 0.000 2.507 319 K HA 0.448 4.767 4.320 -0.001 0.000 0.251 319 K C -1.442 175.114 176.600 -0.072 0.000 0.943 319 K CA -0.611 55.638 56.287 -0.062 0.000 0.794 319 K CB 2.083 34.553 32.500 -0.051 0.000 1.188 319 K HN 0.291 nan 8.250 nan 0.000 0.428 320 V N 2.946 122.782 119.914 -0.129 0.000 2.530 320 V HA 0.676 4.795 4.120 -0.001 0.000 0.282 320 V C 0.640 176.572 176.094 -0.270 0.000 1.048 320 V CA 0.110 62.284 62.300 -0.209 0.000 0.997 320 V CB 0.882 32.411 31.823 -0.490 0.000 0.987 320 V HN 0.976 nan 8.190 nan 0.000 0.477 321 G N 2.635 111.345 108.800 -0.149 0.000 2.466 321 G HA2 0.604 4.563 3.960 -0.001 0.000 0.291 321 G HA3 0.604 4.563 3.960 -0.001 0.000 0.291 321 G C -0.623 174.328 174.900 0.085 0.000 1.460 321 G CA -0.460 44.545 45.100 -0.159 0.000 0.791 321 G HN 0.886 nan 8.290 nan 0.000 0.505 322 R N -0.499 120.052 120.500 0.085 0.000 2.585 322 R HA 0.505 4.844 4.340 -0.001 0.000 0.275 322 R C 1.752 178.115 176.300 0.105 0.000 1.018 322 R CA 1.134 57.343 56.100 0.181 0.000 1.072 322 R CB -0.247 30.126 30.300 0.120 0.000 0.953 322 R HN 2.195 nan 8.270 nan 0.000 0.419 323 G N 0.362 109.222 108.800 0.101 0.000 2.485 323 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.221 323 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.221 323 G C 1.608 176.531 174.900 0.040 0.000 1.115 323 G CA 1.686 46.823 45.100 0.061 0.000 0.751 323 G HN 1.010 nan 8.290 nan 0.000 0.567 324 T N -1.865 112.711 114.554 0.036 0.000 3.088 324 T HA 0.152 4.501 4.350 -0.001 0.000 0.259 324 T C 0.891 175.602 174.700 0.017 0.000 1.122 324 T CA 0.309 62.422 62.100 0.023 0.000 1.095 324 T CB 0.134 69.013 68.868 0.019 0.000 0.930 324 T HN 0.396 nan 8.240 nan 0.000 0.508 325 E N 1.985 122.197 120.200 0.020 0.000 2.360 325 E HA 0.222 4.571 4.350 -0.001 0.000 0.269 325 E C -0.454 176.149 176.600 0.004 0.000 1.022 325 E CA -0.325 56.080 56.400 0.008 0.000 0.887 325 E CB 0.640 30.341 29.700 0.001 0.000 0.990 325 E HN 0.291 nan 8.360 nan 0.000 0.426 326 S N 2.982 118.682 115.700 -0.000 0.000 2.443 326 S HA 0.360 4.830 4.470 -0.001 0.000 0.284 326 S C 0.765 175.361 174.600 -0.006 0.000 1.206 326 S CA 0.666 58.865 58.200 -0.002 0.000 1.074 326 S CB -0.045 63.154 63.200 -0.003 0.000 0.963 326 S HN 0.820 nan 8.310 nan 0.000 0.501 327 G N 3.252 112.050 108.800 -0.004 0.000 2.238 327 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.217 327 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.217 327 G C 0.272 175.165 174.900 -0.012 0.000 0.996 327 G CA -0.138 44.956 45.100 -0.009 0.000 0.632 327 G HN 1.460 nan 8.290 nan 0.000 0.503 328 A N 0.954 123.770 122.820 -0.008 0.000 2.492 328 A HA 0.620 4.939 4.320 -0.001 0.000 0.254 328 A C 1.385 178.973 177.584 0.007 0.000 1.091 328 A CA 1.689 53.722 52.037 -0.006 0.000 0.768 328 A CB 0.225 19.227 19.000 0.003 0.000 1.028 328 A HN 1.419 nan 8.150 nan 0.000 0.498 329 T N 0.030 114.586 114.554 0.002 0.000 3.003 329 T HA 0.418 4.767 4.350 -0.001 0.000 0.261 329 T C 0.059 174.778 174.700 0.031 0.000 1.003 329 T CA 0.071 62.178 62.100 0.012 0.000 0.917 329 T CB -0.357 68.508 68.868 -0.005 0.000 1.084 329 T HN 0.374 nan 8.240 nan 0.000 0.522 330 L N 1.794 123.041 121.223 0.039 0.000 2.406 330 L HA 0.735 5.074 4.340 -0.001 0.000 0.270 330 L C 0.586 177.535 176.870 0.133 0.000 0.982 330 L CA -1.134 53.754 54.840 0.079 0.000 0.843 330 L CB 1.889 43.989 42.059 0.069 0.000 1.225 330 L HN 0.256 nan 8.230 nan 0.000 0.412 331 G N 2.915 111.794 108.800 0.133 0.000 2.532 331 G HA2 0.654 4.613 3.960 -0.001 0.000 0.291 331 G HA3 0.654 4.613 3.960 -0.001 0.000 0.291 331 G C -2.709 172.238 174.900 0.079 0.000 1.349 331 G CA -1.060 44.136 45.100 0.160 0.000 1.038 331 G HN 0.305 nan 8.290 nan 0.000 0.518 332 P HA 0.320 nan 4.420 nan 0.000 0.278 332 P C -0.482 176.696 177.300 -0.203 0.000 1.258 332 P CA -0.694 62.099 63.100 -0.511 0.000 0.811 332 P CB 1.156 32.184 31.700 -1.121 0.000 1.063 333 L N 1.361 122.504 121.223 -0.134 0.000 2.476 333 L HA 0.093 4.432 4.340 -0.001 0.000 0.264 333 L C 2.222 178.973 176.870 -0.198 0.000 1.224 333 L CA 0.165 54.945 54.840 -0.100 0.000 0.821 333 L CB -0.986 41.037 42.059 -0.060 0.000 1.101 333 L HN 0.411 nan 8.230 nan 0.000 0.488 334 I N 0.942 121.332 120.570 -0.300 0.000 2.202 334 I HA -0.187 3.982 4.170 -0.001 0.000 0.242 334 I C 0.503 176.420 176.117 -0.333 0.000 1.091 334 I CA 1.044 62.090 61.300 -0.424 0.000 1.368 334 I CB 0.057 37.511 38.000 -0.909 0.000 1.058 334 I HN 0.970 nan 8.210 nan 0.000 0.410 335 N N -2.061 116.454 118.700 -0.309 0.000 2.732 335 N HA 0.127 4.866 4.740 -0.001 0.000 0.259 335 N C 0.182 175.611 175.510 -0.135 0.000 1.402 335 N CA -0.663 52.265 53.050 -0.203 0.000 0.829 335 N CB 0.383 38.739 38.487 -0.219 0.000 1.495 335 N HN -0.165 nan 8.380 nan 0.000 0.511 336 E N -0.027 120.120 120.200 -0.089 0.000 2.209 336 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 336 E C 1.544 178.114 176.600 -0.051 0.000 0.993 336 E CA 1.432 57.803 56.400 -0.049 0.000 0.819 336 E CB -0.334 29.343 29.700 -0.038 0.000 0.745 336 E HN 0.686 nan 8.360 nan 0.000 0.477 337 A N 1.007 123.781 122.820 -0.075 0.000 1.940 337 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 337 A C 2.349 179.889 177.584 -0.074 0.000 1.176 337 A CA 1.944 53.939 52.037 -0.069 0.000 0.631 337 A CB -0.412 18.541 19.000 -0.079 0.000 0.814 337 A HN 0.291 nan 8.150 nan 0.000 0.446 338 A N -0.884 121.879 122.820 -0.095 0.000 2.016 338 A HA 0.169 4.489 4.320 -0.001 0.000 0.217 338 A C 2.131 179.657 177.584 -0.097 0.000 1.162 338 A CA 1.361 53.344 52.037 -0.090 0.000 0.662 338 A CB -0.542 18.401 19.000 -0.094 0.000 0.812 338 A HN 0.329 nan 8.150 nan 0.000 0.450 339 V N 0.240 120.124 119.914 -0.051 0.000 2.379 339 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 339 V C 3.148 179.258 176.094 0.026 0.000 1.044 339 V CA 2.393 64.705 62.300 0.019 0.000 1.036 339 V CB -0.942 30.961 31.823 0.133 0.000 0.664 339 V HN 0.670 nan 8.190 nan 0.000 0.453 340 K N 0.439 120.846 120.400 0.011 0.000 2.217 340 K HA -0.152 4.167 4.320 -0.001 0.000 0.202 340 K C 2.023 178.609 176.600 -0.025 0.000 1.051 340 K CA 1.745 58.043 56.287 0.019 0.000 0.952 340 K CB -0.444 32.063 32.500 0.011 0.000 0.736 340 K HN 0.467 nan 8.250 nan 0.000 0.453 341 K N 0.345 120.694 120.400 -0.084 0.000 2.103 341 K HA 0.007 4.326 4.320 -0.001 0.000 0.204 341 K C 1.902 178.346 176.600 -0.261 0.000 1.052 341 K CA 1.379 57.569 56.287 -0.161 0.000 0.945 341 K CB -0.283 32.115 32.500 -0.170 0.000 0.722 341 K HN 0.156 nan 8.250 nan 0.000 0.443 342 V N 1.077 120.830 119.914 -0.268 0.000 2.323 342 V HA -0.164 3.955 4.120 -0.001 0.000 0.244 342 V C 1.961 177.973 176.094 -0.137 0.000 1.041 342 V CA 1.899 63.985 62.300 -0.356 0.000 1.025 342 V CB -0.441 30.896 31.823 -0.810 0.000 0.656 342 V HN 0.368 nan 8.190 nan 0.000 0.451 343 E N 0.032 120.236 120.200 0.007 0.000 2.097 343 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 343 E C 2.414 179.095 176.600 0.135 0.000 1.000 343 E CA 1.612 58.132 56.400 0.201 0.000 0.804 343 E CB -0.253 29.585 29.700 0.230 0.000 0.740 343 E HN 0.486 nan 8.360 nan 0.000 0.454 344 S N -0.230 115.522 115.700 0.087 0.000 2.354 344 S HA -0.235 4.234 4.470 -0.001 0.000 0.219 344 S C 1.761 176.480 174.600 0.197 0.000 1.035 344 S CA 1.347 59.617 58.200 0.117 0.000 1.037 344 S CB -0.365 62.891 63.200 0.093 0.000 0.956 344 S HN 0.421 nan 8.310 nan 0.000 0.428 345 H N 0.007 119.105 119.070 0.047 0.000 2.394 345 H HA -0.093 4.462 4.556 -0.001 0.000 0.297 345 H C 2.088 177.451 175.328 0.058 0.000 1.113 345 H CA 1.635 57.715 56.048 0.052 0.000 1.277 345 H CB -0.160 29.631 29.762 0.048 0.000 1.370 345 H HN 0.389 nan 8.280 nan 0.000 0.506 346 I N 0.250 120.939 120.570 0.199 0.000 2.333 346 I HA -0.167 4.002 4.170 -0.001 0.000 0.246 346 I C 2.831 179.016 176.117 0.114 0.000 1.106 346 I CA 0.645 62.036 61.300 0.152 0.000 1.411 346 I CB -0.203 37.910 38.000 0.189 0.000 1.082 346 I HN 0.227 nan 8.210 nan 0.000 0.420 347 A N 0.574 123.463 122.820 0.115 0.000 1.877 347 A HA -0.285 4.034 4.320 -0.001 0.000 0.216 347 A C 2.180 179.804 177.584 0.066 0.000 1.186 347 A CA 2.110 54.198 52.037 0.084 0.000 0.620 347 A CB -0.733 18.317 19.000 0.083 0.000 0.822 347 A HN 0.514 nan 8.150 nan 0.000 0.443 348 D N 0.279 120.724 120.400 0.074 0.000 2.144 348 D HA -0.102 4.537 4.640 -0.001 0.000 0.199 348 D C 2.014 178.328 176.300 0.025 0.000 0.984 348 D CA 1.520 55.549 54.000 0.049 0.000 0.834 348 D CB -0.155 40.676 40.800 0.052 0.000 0.955 348 D HN 0.322 nan 8.370 nan 0.000 0.465 349 A N 0.736 123.571 122.820 0.025 0.000 1.930 349 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 349 A C 2.626 180.210 177.584 0.001 0.000 1.175 349 A CA 0.717 52.752 52.037 -0.003 0.000 0.627 349 A CB -0.616 18.383 19.000 -0.002 0.000 0.815 349 A HN 0.338 nan 8.150 nan 0.000 0.443 350 L N -0.960 120.277 121.223 0.022 0.000 2.072 350 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 350 L C 3.073 179.952 176.870 0.015 0.000 1.079 350 L CA 0.865 55.717 54.840 0.020 0.000 0.752 350 L CB -0.504 41.575 42.059 0.033 0.000 0.906 350 L HN 0.421 nan 8.230 nan 0.000 0.436 351 A N 0.120 122.952 122.820 0.019 0.000 1.978 351 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 351 A C 2.141 179.730 177.584 0.008 0.000 1.170 351 A CA 1.654 53.701 52.037 0.016 0.000 0.636 351 A CB -0.274 18.738 19.000 0.021 0.000 0.810 351 A HN 0.341 nan 8.150 nan 0.000 0.448 352 K N -2.028 118.373 120.400 0.002 0.000 2.374 352 K HA 0.291 4.610 4.320 -0.001 0.000 0.196 352 K C 0.881 177.472 176.600 -0.015 0.000 1.023 352 K CA 0.475 56.759 56.287 -0.006 0.000 1.103 352 K CB 0.334 32.829 32.500 -0.010 0.000 0.848 352 K HN 0.588 nan 8.250 nan 0.000 0.528 353 G N 0.460 109.252 108.800 -0.013 0.000 2.318 353 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.172 353 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.172 353 G C 0.166 175.055 174.900 -0.018 0.000 1.002 353 G CA -0.208 44.883 45.100 -0.016 0.000 0.697 353 G HN 0.344 nan 8.290 nan 0.000 0.483 354 A N 0.292 123.101 122.820 -0.020 0.000 2.346 354 A HA 0.746 5.065 4.320 -0.001 0.000 0.252 354 A C 0.630 178.217 177.584 0.005 0.000 1.089 354 A CA 0.965 52.993 52.037 -0.015 0.000 0.797 354 A CB 0.500 19.488 19.000 -0.021 0.000 1.047 354 A HN 1.025 nan 8.150 nan 0.000 0.494 355 S N 0.513 116.222 115.700 0.016 0.000 2.503 355 S HA 0.480 4.949 4.470 -0.001 0.000 0.301 355 S C -0.658 173.959 174.600 0.030 0.000 1.087 355 S CA -0.619 57.595 58.200 0.023 0.000 1.042 355 S CB 1.240 64.456 63.200 0.026 0.000 1.043 355 S HN 0.562 nan 8.310 nan 0.000 0.489 356 L N 3.623 124.862 121.223 0.028 0.000 2.315 356 L HA 0.318 4.657 4.340 -0.001 0.000 0.283 356 L C 0.734 177.617 176.870 0.021 0.000 1.089 356 L CA 0.341 55.200 54.840 0.032 0.000 0.833 356 L CB 0.535 42.612 42.059 0.030 0.000 1.170 356 L HN 0.907 nan 8.230 nan 0.000 0.442 357 M N 2.471 122.083 119.600 0.019 0.000 2.429 357 M HA 0.022 4.501 4.480 -0.001 0.000 0.265 357 M C 0.213 176.508 176.300 -0.008 0.000 1.120 357 M CA 0.753 56.054 55.300 0.001 0.000 1.173 357 M CB 0.572 33.164 32.600 -0.014 0.000 1.343 357 M HN 0.633 nan 8.290 nan 0.000 0.464 358 T N -0.583 113.974 114.554 0.004 0.000 2.932 358 T HA 0.551 4.900 4.350 -0.001 0.000 0.318 358 T C -0.263 174.455 174.700 0.030 0.000 1.265 358 T CA 0.202 62.302 62.100 -0.000 0.000 1.036 358 T CB 1.377 70.230 68.868 -0.026 0.000 1.209 358 T HN 0.711 nan 8.240 nan 0.000 0.484 359 G N 2.262 111.073 108.800 0.018 0.000 2.527 359 G HA2 0.228 4.187 3.960 -0.001 0.000 0.268 359 G HA3 0.228 4.187 3.960 -0.001 0.000 0.268 359 G C 0.940 175.854 174.900 0.024 0.000 1.175 359 G CA 1.186 46.304 45.100 0.030 0.000 0.962 359 G HN 2.334 nan 8.290 nan 0.000 0.560 360 G N -3.417 105.420 108.800 0.062 0.000 2.253 360 G HA2 0.507 4.467 3.960 -0.001 0.000 0.209 360 G HA3 0.507 4.467 3.960 -0.001 0.000 0.209 360 G C 0.621 175.505 174.900 -0.028 0.000 0.997 360 G CA 1.565 46.708 45.100 0.073 0.000 0.640 360 G HN 2.500 nan 8.290 nan 0.000 0.496 361 K N 0.487 120.740 120.400 -0.245 0.000 2.444 361 K HA 0.891 5.210 4.320 -0.001 0.000 0.252 361 K C 0.382 176.450 176.600 -0.886 0.000 0.993 361 K CA -0.308 55.734 56.287 -0.408 0.000 0.847 361 K CB 0.692 33.061 32.500 -0.218 0.000 1.340 361 K HN 0.610 nan 8.250 nan 0.000 0.446 362 R N 1.573 121.617 120.500 -0.760 0.000 2.697 362 R HA 0.045 4.384 4.340 -0.001 0.000 0.265 362 R C 0.332 176.484 176.300 -0.246 0.000 1.009 362 R CA -0.378 55.409 56.100 -0.522 0.000 1.099 362 R CB 0.136 30.352 30.300 -0.139 0.000 0.965 362 R HN 0.737 nan 8.270 nan 0.000 0.428 363 H N 0.855 119.841 119.070 -0.139 0.000 2.615 363 H HA 0.057 4.612 4.556 -0.002 0.000 0.363 363 H C 0.858 176.158 175.328 -0.046 0.000 1.148 363 H CA 0.428 56.437 56.048 -0.064 0.000 1.401 363 H CB 1.418 31.198 29.762 0.029 0.000 1.461 363 H HN 0.741 nan 8.280 nan 0.000 0.588 364 A N 4.530 127.096 122.820 -0.423 0.000 1.986 364 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 364 A C 2.820 180.395 177.584 -0.014 0.000 1.171 364 A CA 2.107 54.011 52.037 -0.221 0.000 0.640 364 A CB -1.231 17.581 19.000 -0.315 0.000 0.811 364 A HN 0.665 nan 8.150 nan 0.000 0.451 365 L N -1.989 119.337 121.223 0.172 0.000 2.362 365 L HA 0.390 4.729 4.340 -0.001 0.000 0.219 365 L C 1.958 178.958 176.870 0.217 0.000 1.134 365 L CA 1.739 56.625 54.840 0.076 0.000 0.807 365 L CB -2.139 39.719 42.059 -0.334 0.000 0.927 365 L HN 1.825 nan 8.230 nan 0.000 0.447 366 G N -2.602 106.352 108.800 0.256 0.000 2.499 366 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.232 366 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.232 366 G C 0.277 175.357 174.900 0.300 0.000 1.251 366 G CA 0.495 45.685 45.100 0.152 0.000 0.917 366 G HN 1.697 nan 8.290 nan 0.000 0.580 367 H N -1.605 117.563 119.070 0.164 0.000 1.452 367 H HA -0.242 4.313 4.556 -0.001 0.000 0.090 367 H C 2.135 177.463 175.328 0.001 0.000 1.022 367 H CA 2.783 58.860 56.048 0.048 0.000 1.901 367 H CB -1.158 28.601 29.762 -0.005 0.000 2.257 367 H HN 1.753 nan 8.280 nan 0.000 0.961 368 G N -0.000 108.800 108.800 0.001 0.000 2.920 368 G HA2 0.137 4.097 3.960 -0.001 0.000 0.208 368 G HA3 0.137 4.097 3.960 -0.001 0.000 0.208 368 G C -0.382 174.491 174.900 -0.044 0.000 1.159 368 G CA -0.077 44.976 45.100 -0.078 0.000 0.784 368 G HN 0.217 nan 8.290 nan 0.000 0.535 369 F N 0.258 120.308 119.950 0.167 0.000 2.504 369 F HA 0.493 5.020 4.527 -0.001 0.000 0.369 369 F C -0.040 175.904 175.800 0.238 0.000 1.082 369 F CA -0.748 57.345 58.000 0.155 0.000 1.216 369 F CB 0.511 39.569 39.000 0.097 0.000 1.108 369 F HN -0.061 nan 8.300 nan 0.000 0.554 370 F N 2.049 122.160 119.950 0.268 0.000 2.565 370 F HA 0.355 4.881 4.527 -0.001 0.000 0.313 370 F C -0.059 175.870 175.800 0.215 0.000 1.091 370 F CA -0.981 57.145 58.000 0.210 0.000 0.915 370 F CB 1.317 40.401 39.000 0.140 0.000 1.208 370 F HN 0.434 nan 8.300 nan 0.000 0.453 371 E N 5.937 126.177 120.200 0.067 0.000 2.384 371 E HA 0.134 4.483 4.350 -0.001 0.000 0.266 371 E C -2.276 174.505 176.600 0.301 0.000 1.012 371 E CA -1.607 54.895 56.400 0.171 0.000 0.901 371 E CB 0.344 30.056 29.700 0.019 0.000 0.967 371 E HN 0.178 nan 8.360 nan 0.000 0.435 372 P HA 0.001 nan 4.420 nan 0.000 0.271 372 P C -0.911 176.520 177.300 0.219 0.000 1.226 372 P CA -0.008 63.238 63.100 0.244 0.000 0.765 372 P CB 0.775 32.464 31.700 -0.017 0.000 0.835 373 T N 2.718 117.464 114.554 0.320 0.000 2.812 373 T HA 0.375 4.725 4.350 -0.001 0.000 0.282 373 T C -0.174 174.646 174.700 0.201 0.000 0.990 373 T CA -0.459 61.781 62.100 0.233 0.000 0.960 373 T CB 1.190 70.223 68.868 0.275 0.000 0.948 373 T HN 0.055 nan 8.240 nan 0.000 0.438 374 V N 4.689 124.669 119.914 0.110 0.000 2.459 374 V HA 0.525 4.644 4.120 -0.001 0.000 0.295 374 V C -0.418 175.704 176.094 0.047 0.000 1.029 374 V CA -0.811 61.521 62.300 0.054 0.000 0.874 374 V CB 1.555 33.358 31.823 -0.033 0.000 0.985 374 V HN 0.725 nan 8.190 nan 0.000 0.438 375 L N 4.791 126.045 121.223 0.051 0.000 2.325 375 L HA 0.555 4.894 4.340 -0.001 0.000 0.281 375 L C 0.488 177.390 176.870 0.054 0.000 1.004 375 L CA -0.343 54.527 54.840 0.050 0.000 0.823 375 L CB 2.302 44.394 42.059 0.054 0.000 1.236 375 L HN 0.826 nan 8.230 nan 0.000 0.415 376 T N -1.226 113.372 114.554 0.074 0.000 2.902 376 T HA 0.525 4.875 4.350 -0.001 0.000 0.280 376 T C 0.972 175.744 174.700 0.120 0.000 0.992 376 T CA 0.176 62.379 62.100 0.171 0.000 1.015 376 T CB 1.644 70.631 68.868 0.199 0.000 1.044 376 T HN 0.920 nan 8.240 nan 0.000 0.520 377 G N 0.413 109.302 108.800 0.149 0.000 2.246 377 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.273 377 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.273 377 G C -0.061 174.787 174.900 -0.087 0.000 1.055 377 G CA 0.006 45.099 45.100 -0.011 0.000 0.851 377 G HN 1.054 nan 8.290 nan 0.000 0.500 378 V N -0.400 119.417 119.914 -0.161 0.000 2.607 378 V HA 0.839 4.958 4.120 -0.001 0.000 0.289 378 V C 0.639 176.375 176.094 -0.596 0.000 1.053 378 V CA 0.454 62.495 62.300 -0.432 0.000 0.996 378 V CB 1.307 32.740 31.823 -0.650 0.000 0.995 378 V HN 0.958 nan 8.190 nan 0.000 0.476 379 K N 4.526 124.639 120.400 -0.477 0.000 2.435 379 K HA 0.679 4.998 4.320 -0.001 0.000 0.251 379 K C -2.566 174.008 176.600 -0.042 0.000 0.954 379 K CA -1.713 54.457 56.287 -0.195 0.000 0.820 379 K CB 1.161 33.619 32.500 -0.069 0.000 1.292 379 K HN 0.463 nan 8.250 nan 0.000 0.436 380 P HA -0.133 nan 4.420 nan 0.000 0.229 380 P C 0.351 177.752 177.300 0.169 0.000 1.150 380 P CA 1.284 64.576 63.100 0.319 0.000 0.765 380 P CB 0.306 32.180 31.700 0.290 0.000 0.783 381 D N -2.097 118.356 120.400 0.089 0.000 2.348 381 D HA -0.046 4.593 4.640 -0.001 0.000 0.211 381 D C 0.668 176.990 176.300 0.036 0.000 0.998 381 D CA 0.395 54.428 54.000 0.056 0.000 0.873 381 D CB -0.631 40.190 40.800 0.035 0.000 0.925 381 D HN 0.161 nan 8.370 nan 0.000 0.524 382 M N 0.790 120.402 119.600 0.021 0.000 2.255 382 M HA 0.104 4.583 4.480 -0.001 0.000 0.336 382 M C 0.891 177.182 176.300 -0.014 0.000 1.135 382 M CA -0.579 54.714 55.300 -0.013 0.000 1.145 382 M CB 1.016 33.578 32.600 -0.063 0.000 1.473 382 M HN -0.317 nan 8.290 nan 0.000 0.462 383 D N 0.951 121.308 120.400 -0.071 0.000 2.133 383 D HA -0.152 4.487 4.640 -0.001 0.000 0.195 383 D C 1.841 177.973 176.300 -0.281 0.000 0.997 383 D CA 1.237 55.148 54.000 -0.149 0.000 0.840 383 D CB -0.070 40.627 40.800 -0.171 0.000 0.947 383 D HN 0.454 nan 8.370 nan 0.000 0.452 384 V N 1.073 120.767 119.914 -0.366 0.000 2.469 384 V HA -0.265 3.854 4.120 -0.001 0.000 0.251 384 V C 2.229 178.381 176.094 0.096 0.000 1.064 384 V CA 2.082 64.251 62.300 -0.217 0.000 1.066 384 V CB -0.461 31.341 31.823 -0.035 0.000 0.667 384 V HN 0.209 nan 8.190 nan 0.000 0.461 385 A N -0.612 122.337 122.820 0.214 0.000 2.015 385 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 385 A C 2.310 180.000 177.584 0.177 0.000 1.163 385 A CA 2.263 54.474 52.037 0.290 0.000 0.646 385 A CB -0.525 18.716 19.000 0.402 0.000 0.806 385 A HN 0.634 nan 8.150 nan 0.000 0.448 386 K N 0.144 120.625 120.400 0.134 0.000 2.244 386 K HA 0.209 4.528 4.320 -0.001 0.000 0.200 386 K C 0.689 177.425 176.600 0.227 0.000 1.052 386 K CA 1.177 57.553 56.287 0.149 0.000 0.980 386 K CB -0.259 32.305 32.500 0.107 0.000 0.838 386 K HN 0.878 nan 8.250 nan 0.000 0.481 387 E N -0.621 119.699 120.200 0.200 0.000 2.392 387 E HA 0.471 4.821 4.350 -0.001 0.000 0.269 387 E C -1.313 175.463 176.600 0.294 0.000 0.924 387 E CA -0.947 55.616 56.400 0.271 0.000 0.784 387 E CB 1.614 31.480 29.700 0.277 0.000 1.292 387 E HN 0.198 nan 8.360 nan 0.000 0.447 388 E N 0.539 120.891 120.200 0.253 0.000 2.366 388 E HA 0.033 4.382 4.350 -0.001 0.000 0.266 388 E C 0.067 176.879 176.600 0.354 0.000 1.015 388 E CA 0.233 56.801 56.400 0.279 0.000 0.906 388 E CB 0.881 30.772 29.700 0.318 0.000 0.979 388 E HN 0.501 nan 8.360 nan 0.000 0.443 389 T N 3.322 118.059 114.554 0.303 0.000 2.777 389 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 389 T C 0.306 175.093 174.700 0.146 0.000 1.040 389 T CA 0.472 62.670 62.100 0.164 0.000 1.141 389 T CB -0.224 68.756 68.868 0.187 0.000 0.868 389 T HN 0.618 nan 8.240 nan 0.000 0.444 390 F N 0.771 120.715 119.950 -0.010 0.000 3.027 390 F HA -0.103 4.423 4.527 -0.001 0.000 0.276 390 F C 0.735 176.528 175.800 -0.012 0.000 0.967 390 F CA 0.561 58.568 58.000 0.012 0.000 0.929 390 F CB -1.264 37.773 39.000 0.061 0.000 0.873 390 F HN 0.335 nan 8.300 nan 0.000 0.787 391 G N -0.724 108.084 108.800 0.012 0.000 2.559 391 G HA2 0.589 4.548 3.960 -0.001 0.000 0.291 391 G HA3 0.589 4.548 3.960 -0.001 0.000 0.291 391 G C -3.190 171.676 174.900 -0.056 0.000 1.424 391 G CA -0.853 44.224 45.100 -0.038 0.000 0.786 391 G HN -0.216 nan 8.290 nan 0.000 0.485 392 P HA 0.301 nan 4.420 nan 0.000 0.220 392 P C -0.692 176.696 177.300 0.146 0.000 1.806 392 P CA -0.139 63.020 63.100 0.099 0.000 0.976 392 P CB 0.139 32.052 31.700 0.355 0.000 1.952 393 L N 0.662 121.888 121.223 0.004 0.000 2.349 393 L HA 0.770 5.109 4.340 -0.001 0.000 0.278 393 L C -0.774 176.132 176.870 0.061 0.000 0.996 393 L CA -0.907 53.984 54.840 0.085 0.000 0.825 393 L CB 1.893 44.005 42.059 0.088 0.000 1.243 393 L HN 0.059 nan 8.230 nan 0.000 0.412 394 A N 6.790 129.689 122.820 0.131 0.000 2.412 394 A HA 0.751 5.070 4.320 -0.001 0.000 0.334 394 A C -2.621 175.094 177.584 0.218 0.000 1.419 394 A CA -1.352 50.817 52.037 0.220 0.000 0.930 394 A CB -0.209 18.847 19.000 0.092 0.000 1.149 394 A HN 0.522 nan 8.150 nan 0.000 0.515 395 P HA 0.317 nan 4.420 nan 0.000 0.292 395 P C -0.705 176.804 177.300 0.349 0.000 1.326 395 P CA -0.029 63.211 63.100 0.233 0.000 0.787 395 P CB 0.866 32.701 31.700 0.225 0.000 0.903 396 L N 5.001 126.354 121.223 0.216 0.000 2.282 396 L HA 0.372 4.712 4.340 -0.001 0.000 0.287 396 L C 0.566 177.675 176.870 0.399 0.000 1.075 396 L CA -0.577 54.440 54.840 0.295 0.000 0.839 396 L CB -0.484 41.593 42.059 0.030 0.000 1.219 396 L HN 0.235 nan 8.230 nan 0.000 0.434 397 F N 2.037 122.091 119.950 0.173 0.000 2.378 397 F HA 0.427 4.953 4.527 -0.001 0.000 0.319 397 F C 0.934 176.976 175.800 0.403 0.000 1.155 397 F CA -0.536 57.576 58.000 0.187 0.000 1.157 397 F CB 0.806 39.768 39.000 -0.063 0.000 1.252 397 F HN 0.414 nan 8.300 nan 0.000 0.550 398 R N 1.307 122.081 120.500 0.457 0.000 2.604 398 R HA 0.580 4.919 4.340 -0.001 0.000 0.287 398 R C -1.471 175.048 176.300 0.365 0.000 0.970 398 R CA -0.697 55.561 56.100 0.264 0.000 0.946 398 R CB 1.455 31.704 30.300 -0.085 0.000 1.127 398 R HN 0.598 nan 8.270 nan 0.000 0.473 399 F N -0.223 119.755 119.950 0.047 0.000 2.601 399 F HA 0.668 5.195 4.527 -0.001 0.000 0.309 399 F C -0.442 175.157 175.800 -0.335 0.000 1.089 399 F CA -0.834 57.107 58.000 -0.099 0.000 0.940 399 F CB 1.751 40.683 39.000 -0.113 0.000 1.273 399 F HN 0.488 nan 8.300 nan 0.000 0.450 400 A N 1.317 124.045 122.820 -0.153 0.000 2.085 400 A HA 0.557 4.877 4.320 -0.001 0.000 0.208 400 A C 0.463 177.973 177.584 -0.123 0.000 1.191 400 A CA 0.819 52.699 52.037 -0.261 0.000 0.799 400 A CB -0.511 18.450 19.000 -0.065 0.000 0.877 400 A HN 1.191 nan 8.150 nan 0.000 0.473 401 S N -1.866 113.917 115.700 0.138 0.000 2.607 401 S HA 0.399 4.868 4.470 -0.001 0.000 0.273 401 S C 0.355 175.181 174.600 0.377 0.000 1.148 401 S CA 0.183 58.550 58.200 0.278 0.000 0.833 401 S CB 1.283 64.588 63.200 0.175 0.000 1.130 401 S HN 0.244 nan 8.310 nan 0.000 0.470 402 E N 0.693 121.155 120.200 0.438 0.000 2.085 402 E HA -0.241 4.108 4.350 -0.001 0.000 0.194 402 E C 1.549 178.243 176.600 0.156 0.000 0.994 402 E CA 1.580 58.224 56.400 0.407 0.000 0.801 402 E CB -0.174 29.718 29.700 0.320 0.000 0.743 402 E HN 0.770 nan 8.360 nan 0.000 0.453 403 E N 0.405 120.674 120.200 0.114 0.000 2.058 403 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 403 E C 2.076 178.676 176.600 0.000 0.000 0.997 403 E CA 1.231 57.659 56.400 0.046 0.000 0.801 403 E CB -0.073 29.655 29.700 0.047 0.000 0.746 403 E HN 0.331 nan 8.360 nan 0.000 0.450 404 E N 0.367 120.576 120.200 0.016 0.000 2.085 404 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 404 E C 2.384 178.892 176.600 -0.154 0.000 0.994 404 E CA 0.900 57.286 56.400 -0.024 0.000 0.801 404 E CB -0.087 29.639 29.700 0.042 0.000 0.743 404 E HN 0.198 nan 8.360 nan 0.000 0.453 405 L N 0.377 121.446 121.223 -0.257 0.000 1.989 405 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 405 L C 2.353 178.953 176.870 -0.450 0.000 1.071 405 L CA 1.397 55.878 54.840 -0.597 0.000 0.749 405 L CB -0.394 41.138 42.059 -0.877 0.000 0.890 405 L HN -0.003 nan 8.230 nan 0.000 0.431 406 V N 0.186 119.958 119.914 -0.236 0.000 2.282 406 V HA -0.361 3.758 4.120 -0.001 0.000 0.249 406 V C 2.753 178.753 176.094 -0.157 0.000 1.057 406 V CA 2.371 64.577 62.300 -0.157 0.000 1.032 406 V CB -0.914 30.866 31.823 -0.071 0.000 0.645 406 V HN 0.572 nan 8.190 nan 0.000 0.447 407 R N -0.439 119.977 120.500 -0.140 0.000 2.082 407 R HA -0.186 4.153 4.340 -0.001 0.000 0.234 407 R C 2.258 178.469 176.300 -0.148 0.000 1.136 407 R CA 1.839 57.873 56.100 -0.111 0.000 0.935 407 R CB -0.405 29.851 30.300 -0.074 0.000 0.842 407 R HN 0.323 nan 8.270 nan 0.000 0.430 408 L N 0.906 121.986 121.223 -0.238 0.000 1.956 408 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 408 L C 2.649 179.293 176.870 -0.377 0.000 1.073 408 L CA 2.309 56.957 54.840 -0.320 0.000 0.762 408 L CB -1.337 40.382 42.059 -0.566 0.000 0.889 408 L HN 0.418 nan 8.230 nan 0.000 0.433 409 A N -0.562 121.907 122.820 -0.585 0.000 1.927 409 A HA -0.252 4.067 4.320 -0.001 0.000 0.220 409 A C 1.970 179.556 177.584 0.003 0.000 1.185 409 A CA 2.245 54.087 52.037 -0.325 0.000 0.639 409 A CB -0.702 18.104 19.000 -0.323 0.000 0.820 409 A HN 0.572 nan 8.150 nan 0.000 0.451 410 N N -0.036 118.640 118.700 -0.040 0.000 2.398 410 N HA 0.008 4.747 4.740 -0.001 0.000 0.188 410 N C -0.190 175.290 175.510 -0.051 0.000 1.122 410 N CA 0.426 53.463 53.050 -0.021 0.000 0.866 410 N CB -0.095 38.363 38.487 -0.048 0.000 0.970 410 N HN 0.411 nan 8.380 nan 0.000 0.462 411 D N 0.719 121.097 120.400 -0.037 0.000 2.688 411 D HA 0.087 4.726 4.640 -0.001 0.000 0.228 411 D C -0.607 175.693 176.300 -0.001 0.000 1.116 411 D CA 0.184 54.169 54.000 -0.024 0.000 1.023 411 D CB -0.199 40.597 40.800 -0.007 0.000 1.100 411 D HN -0.045 nan 8.370 nan 0.000 0.487 412 T N -1.013 113.516 114.554 -0.042 0.000 2.830 412 T HA 0.478 4.827 4.350 -0.001 0.000 0.322 412 T C 0.734 175.319 174.700 -0.192 0.000 1.501 412 T CA 0.125 62.187 62.100 -0.064 0.000 1.036 412 T CB 1.033 69.940 68.868 0.064 0.000 1.379 412 T HN -0.002 nan 8.240 nan 0.000 0.493 413 E N 1.691 121.665 120.200 -0.377 0.000 2.358 413 E HA 0.287 4.636 4.350 -0.001 0.000 0.195 413 E C 0.130 176.440 176.600 -0.482 0.000 1.010 413 E CA 0.694 56.801 56.400 -0.489 0.000 0.856 413 E CB -0.253 29.057 29.700 -0.650 0.000 0.795 413 E HN 0.509 nan 8.360 nan 0.000 0.504 414 F N -0.522 119.381 119.950 -0.078 0.000 2.377 414 F HA 0.623 5.149 4.527 -0.001 0.000 0.328 414 F C 1.139 176.787 175.800 -0.254 0.000 1.094 414 F CA -0.952 56.991 58.000 -0.095 0.000 1.093 414 F CB 2.222 41.218 39.000 -0.007 0.000 1.214 414 F HN -0.010 nan 8.300 nan 0.000 0.518 415 G N 2.200 110.951 108.800 -0.080 0.000 3.298 415 G HA2 0.426 4.386 3.960 -0.001 0.000 0.303 415 G HA3 0.426 4.386 3.960 -0.001 0.000 0.303 415 G C -0.824 174.007 174.900 -0.115 0.000 1.668 415 G CA -0.126 44.700 45.100 -0.457 0.000 0.733 415 G HN 0.578 nan 8.290 nan 0.000 0.453 416 L N 1.690 122.988 121.223 0.125 0.000 2.924 416 L HA 0.907 5.246 4.340 -0.001 0.000 0.172 416 L C 1.121 177.994 176.870 0.005 0.000 1.292 416 L CA 1.130 55.986 54.840 0.026 0.000 0.870 416 L CB 0.021 42.072 42.059 -0.014 0.000 1.305 416 L HN 0.487 nan 8.230 nan 0.000 0.535 417 A N -0.572 122.233 122.820 -0.026 0.000 2.356 417 A HA 0.898 5.217 4.320 -0.001 0.000 0.323 417 A C -1.038 176.236 177.584 -0.516 0.000 1.119 417 A CA 0.059 51.922 52.037 -0.290 0.000 0.790 417 A CB 1.191 20.003 19.000 -0.313 0.000 1.273 417 A HN 0.578 nan 8.150 nan 0.000 0.452 418 A N 0.334 122.649 122.820 -0.842 0.000 2.556 418 A HA 0.811 5.130 4.320 -0.001 0.000 0.294 418 A C -1.852 175.134 177.584 -0.997 0.000 1.091 418 A CA -0.455 51.029 52.037 -0.921 0.000 0.704 418 A CB 1.034 19.398 19.000 -1.060 0.000 1.300 418 A HN 0.932 nan 8.150 nan 0.000 0.406 419 Y N -0.069 120.061 120.300 -0.285 0.000 2.406 419 Y HA 0.629 5.178 4.550 -0.001 0.000 0.340 419 Y C -0.608 175.062 175.900 -0.382 0.000 0.975 419 Y CA -0.759 57.155 58.100 -0.309 0.000 1.056 419 Y CB 2.279 40.572 38.460 -0.278 0.000 1.210 419 Y HN 0.619 nan 8.280 nan 0.000 0.448 420 L N 4.128 125.238 121.223 -0.189 0.000 2.404 420 L HA 0.562 4.902 4.340 -0.001 0.000 0.272 420 L C -2.217 174.588 176.870 -0.109 0.000 0.980 420 L CA -0.971 53.804 54.840 -0.109 0.000 0.836 420 L CB 0.742 42.738 42.059 -0.105 0.000 1.238 420 L HN 0.572 nan 8.230 nan 0.000 0.408 421 Y N 3.828 124.092 120.300 -0.061 0.000 2.369 421 Y HA 0.723 5.272 4.550 -0.001 0.000 0.337 421 Y C 0.489 176.476 175.900 0.145 0.000 0.961 421 Y CA 0.128 58.242 58.100 0.022 0.000 1.186 421 Y CB 1.823 40.294 38.460 0.017 0.000 1.139 421 Y HN 0.749 nan 8.280 nan 0.000 0.494 422 S N 1.975 117.764 115.700 0.149 0.000 2.625 422 S HA 0.532 5.001 4.470 -0.001 0.000 0.271 422 S C 0.190 174.818 174.600 0.047 0.000 1.161 422 S CA -0.780 57.487 58.200 0.111 0.000 0.820 422 S CB 1.297 64.476 63.200 -0.035 0.000 1.137 422 S HN 0.649 nan 8.310 nan 0.000 0.470 423 R N 0.847 121.372 120.500 0.041 0.000 2.279 423 R HA 0.242 4.581 4.340 -0.001 0.000 0.195 423 R C -0.366 175.940 176.300 0.010 0.000 0.905 423 R CA 0.093 56.212 56.100 0.031 0.000 1.044 423 R CB -0.866 29.462 30.300 0.046 0.000 1.056 423 R HN 0.670 nan 8.270 nan 0.000 0.535 424 D N 1.575 121.966 120.400 -0.015 0.000 2.358 424 D HA 0.005 4.644 4.640 -0.001 0.000 0.258 424 D C 1.491 177.790 176.300 -0.003 0.000 1.223 424 D CA -0.062 53.926 54.000 -0.021 0.000 0.886 424 D CB 0.584 41.354 40.800 -0.051 0.000 1.120 424 D HN -0.160 nan 8.370 nan 0.000 0.482 425 I N 4.088 124.673 120.570 0.026 0.000 2.194 425 I HA -0.196 3.973 4.170 -0.001 0.000 0.246 425 I C 1.771 177.956 176.117 0.114 0.000 1.093 425 I CA 1.708 63.059 61.300 0.084 0.000 1.355 425 I CB -0.755 37.269 38.000 0.041 0.000 1.046 425 I HN 0.669 nan 8.210 nan 0.000 0.413 426 G N -0.004 108.811 108.800 0.025 0.000 2.394 426 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.215 426 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.215 426 G C 1.859 176.773 174.900 0.023 0.000 1.165 426 G CA 0.588 45.696 45.100 0.014 0.000 0.784 426 G HN 0.335 nan 8.290 nan 0.000 0.535 427 R N -0.030 120.442 120.500 -0.046 0.000 2.073 427 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 427 R C 2.608 178.835 176.300 -0.122 0.000 1.134 427 R CA 1.501 57.514 56.100 -0.144 0.000 0.952 427 R CB -0.452 29.664 30.300 -0.307 0.000 0.850 427 R HN 0.227 nan 8.270 nan 0.000 0.433 428 V N -0.156 119.720 119.914 -0.064 0.000 2.255 428 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 428 V C 1.900 177.979 176.094 -0.025 0.000 1.051 428 V CA 2.098 64.361 62.300 -0.061 0.000 1.018 428 V CB -0.598 31.201 31.823 -0.039 0.000 0.641 428 V HN 0.478 nan 8.190 nan 0.000 0.445 429 W N 0.176 121.422 121.300 -0.090 0.000 2.381 429 W HA -0.079 4.580 4.660 -0.001 0.000 0.301 429 W C 2.772 179.252 176.519 -0.065 0.000 1.205 429 W CA 1.522 58.826 57.345 -0.069 0.000 1.285 429 W CB -0.366 29.061 29.460 -0.056 0.000 1.133 429 W HN 0.062 nan 8.180 nan 0.000 0.521 430 R N -0.347 120.249 120.500 0.159 0.000 2.082 430 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 430 R C 1.929 178.241 176.300 0.021 0.000 1.136 430 R CA 2.165 58.307 56.100 0.072 0.000 0.935 430 R CB -1.246 29.070 30.300 0.027 0.000 0.842 430 R HN 0.074 nan 8.270 nan 0.000 0.430 431 V N 1.064 120.967 119.914 -0.017 0.000 2.295 431 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 431 V C 2.492 178.554 176.094 -0.054 0.000 1.049 431 V CA 1.913 64.196 62.300 -0.029 0.000 1.024 431 V CB -0.886 30.926 31.823 -0.018 0.000 0.648 431 V HN 0.448 nan 8.190 nan 0.000 0.447 432 A N -0.246 122.518 122.820 -0.094 0.000 1.873 432 A HA -0.314 4.005 4.320 -0.001 0.000 0.218 432 A C 2.206 179.722 177.584 -0.114 0.000 1.193 432 A CA 2.289 54.235 52.037 -0.152 0.000 0.629 432 A CB -0.622 18.215 19.000 -0.273 0.000 0.826 432 A HN 0.624 nan 8.150 nan 0.000 0.447 433 E N -0.687 119.471 120.200 -0.071 0.000 2.110 433 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 433 E C 2.282 178.870 176.600 -0.020 0.000 0.988 433 E CA 0.951 57.333 56.400 -0.029 0.000 0.804 433 E CB -0.266 29.457 29.700 0.039 0.000 0.745 433 E HN 0.637 nan 8.360 nan 0.000 0.458 434 A N 1.101 123.912 122.820 -0.015 0.000 2.014 434 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 434 A C 1.237 178.817 177.584 -0.006 0.000 1.163 434 A CA 0.345 52.374 52.037 -0.012 0.000 0.652 434 A CB -0.364 18.629 19.000 -0.012 0.000 0.808 434 A HN 0.090 nan 8.150 nan 0.000 0.449 435 L N 1.470 122.696 121.223 0.005 0.000 2.477 435 L HA 0.045 4.384 4.340 -0.001 0.000 0.272 435 L C -0.004 176.947 176.870 0.135 0.000 1.157 435 L CA -0.103 54.796 54.840 0.098 0.000 0.889 435 L CB 0.360 42.450 42.059 0.053 0.000 1.158 435 L HN 0.348 nan 8.230 nan 0.000 0.473 436 E N 4.751 125.000 120.200 0.081 0.000 1.972 436 E HA 0.178 4.527 4.350 -0.001 0.000 0.292 436 E C -1.348 175.014 176.600 -0.396 0.000 1.193 436 E CA 0.035 56.352 56.400 -0.139 0.000 1.228 436 E CB 0.048 29.620 29.700 -0.214 0.000 1.167 436 E HN 0.362 nan 8.360 nan 0.000 0.479 437 Y N -1.432 118.799 120.300 -0.114 0.000 2.534 437 Y HA 0.295 4.845 4.550 -0.001 0.000 0.345 437 Y C 1.306 177.112 175.900 -0.156 0.000 1.031 437 Y CA -1.038 56.982 58.100 -0.134 0.000 1.022 437 Y CB 1.766 40.128 38.460 -0.165 0.000 1.292 437 Y HN 0.265 nan 8.280 nan 0.000 0.459 438 G N 1.282 110.062 108.800 -0.033 0.000 2.484 438 G HA2 0.051 4.011 3.960 -0.001 0.000 0.218 438 G HA3 0.051 4.011 3.960 -0.001 0.000 0.218 438 G C 0.067 174.878 174.900 -0.148 0.000 1.130 438 G CA 0.593 45.625 45.100 -0.114 0.000 0.784 438 G HN 0.438 nan 8.290 nan 0.000 0.543 439 M N -0.193 119.314 119.600 -0.155 0.000 2.371 439 M HA 0.452 4.931 4.480 -0.001 0.000 0.287 439 M C -1.839 174.296 176.300 -0.275 0.000 1.149 439 M CA -0.435 54.732 55.300 -0.221 0.000 0.929 439 M CB 3.553 35.978 32.600 -0.293 0.000 1.683 439 M HN -0.252 nan 8.290 nan 0.000 0.470 440 V N 1.413 121.163 119.914 -0.273 0.000 2.577 440 V HA 0.760 4.879 4.120 -0.001 0.000 0.303 440 V C -0.023 175.899 176.094 -0.287 0.000 1.042 440 V CA -0.691 61.410 62.300 -0.333 0.000 0.872 440 V CB 2.173 33.832 31.823 -0.272 0.000 0.998 440 V HN 0.987 nan 8.190 nan 0.000 0.423 441 G N 4.532 113.145 108.800 -0.313 0.000 2.332 441 G HA2 0.701 4.660 3.960 -0.001 0.000 0.310 441 G HA3 0.701 4.660 3.960 -0.001 0.000 0.310 441 G C -0.785 174.005 174.900 -0.184 0.000 1.123 441 G CA -0.414 44.604 45.100 -0.136 0.000 0.873 441 G HN 0.629 nan 8.290 nan 0.000 0.460 442 I N 2.530 122.973 120.570 -0.212 0.000 2.359 442 I HA 0.181 4.351 4.170 -0.001 0.000 0.284 442 I C 0.006 175.889 176.117 -0.390 0.000 1.018 442 I CA -0.723 60.404 61.300 -0.289 0.000 1.173 442 I CB 1.281 39.137 38.000 -0.241 0.000 1.326 442 I HN 0.501 nan 8.210 nan 0.000 0.462 443 N N 2.059 120.285 118.700 -0.789 0.000 2.741 443 N HA -0.180 4.559 4.740 -0.001 0.000 0.251 443 N C -0.074 175.066 175.510 -0.616 0.000 1.112 443 N CA 1.304 53.653 53.050 -1.168 0.000 0.750 443 N CB -0.935 37.278 38.487 -0.457 0.000 1.119 443 N HN 0.711 nan 8.380 nan 0.000 0.561 444 T N -2.649 111.690 114.554 -0.358 0.000 2.903 444 T HA 0.628 4.977 4.350 -0.001 0.000 0.299 444 T C 1.042 175.912 174.700 0.284 0.000 1.093 444 T CA 0.128 62.273 62.100 0.075 0.000 1.002 444 T CB 1.687 70.587 68.868 0.053 0.000 1.127 444 T HN 0.065 nan 8.240 nan 0.000 0.488 445 G N 1.636 110.629 108.800 0.322 0.000 2.833 445 G HA2 0.324 4.283 3.960 -0.001 0.000 0.210 445 G HA3 0.324 4.283 3.960 -0.001 0.000 0.210 445 G C 0.027 175.004 174.900 0.128 0.000 1.139 445 G CA -0.019 45.207 45.100 0.210 0.000 0.771 445 G HN 0.561 nan 8.290 nan 0.000 0.535 446 L N 1.378 122.696 121.223 0.158 0.000 2.325 446 L HA 0.507 4.846 4.340 -0.001 0.000 0.281 446 L C 0.631 177.572 176.870 0.118 0.000 1.004 446 L CA -0.661 54.252 54.840 0.122 0.000 0.823 446 L CB 1.942 44.039 42.059 0.064 0.000 1.236 446 L HN 0.256 nan 8.230 nan 0.000 0.415 447 I N -2.400 118.247 120.570 0.128 0.000 4.592 447 I HA 0.263 4.433 4.170 -0.001 0.000 0.329 447 I C 0.358 176.525 176.117 0.084 0.000 1.309 447 I CA -0.063 61.291 61.300 0.089 0.000 1.243 447 I CB 0.980 39.026 38.000 0.078 0.000 1.241 447 I HN 0.329 nan 8.210 nan 0.000 0.434 448 S N 3.336 119.090 115.700 0.090 0.000 2.528 448 S HA 0.452 4.921 4.470 -0.001 0.000 0.277 448 S C -0.335 174.316 174.600 0.084 0.000 1.297 448 S CA -0.321 57.960 58.200 0.135 0.000 1.052 448 S CB 0.291 63.506 63.200 0.024 0.000 0.917 448 S HN 0.772 nan 8.310 nan 0.000 0.492 449 N N 0.322 119.111 118.700 0.148 0.000 3.179 449 N HA 0.221 4.960 4.740 -0.001 0.000 0.250 449 N C 0.165 175.526 175.510 -0.248 0.000 1.507 449 N CA -0.924 52.128 53.050 0.003 0.000 0.883 449 N CB 0.487 38.916 38.487 -0.096 0.000 1.435 449 N HN 0.359 nan 8.380 nan 0.000 0.532 450 E N -0.308 119.491 120.200 -0.668 0.000 2.371 450 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 450 E C 0.931 176.852 176.600 -1.131 0.000 1.012 450 E CA 1.020 56.759 56.400 -1.103 0.000 0.860 450 E CB 0.025 28.998 29.700 -1.211 0.000 0.811 450 E HN 0.421 nan 8.360 nan 0.000 0.502 451 V N -0.009 119.362 119.914 -0.906 0.000 3.431 451 V HA 0.427 4.546 4.120 -0.001 0.000 0.253 451 V C 0.886 176.735 176.094 -0.408 0.000 1.184 451 V CA 0.491 62.173 62.300 -1.031 0.000 1.104 451 V CB 0.158 31.475 31.823 -0.844 0.000 0.799 451 V HN 0.290 nan 8.190 nan 0.000 0.462 452 A N 2.162 124.856 122.820 -0.210 0.000 2.310 452 A HA 0.804 5.123 4.320 -0.001 0.000 0.299 452 A C -2.723 174.899 177.584 0.064 0.000 1.147 452 A CA -1.763 50.255 52.037 -0.032 0.000 0.818 452 A CB 0.381 19.374 19.000 -0.011 0.000 1.096 452 A HN 0.399 nan 8.150 nan 0.000 0.495 453 P HA 0.262 nan 4.420 nan 0.000 0.276 453 P C -1.037 176.340 177.300 0.128 0.000 1.253 453 P CA 0.178 63.367 63.100 0.148 0.000 0.766 453 P CB 0.167 31.923 31.700 0.093 0.000 0.845 454 F N 4.039 124.017 119.950 0.048 0.000 2.404 454 F HA 0.695 5.222 4.527 -0.001 0.000 0.354 454 F C 0.460 176.263 175.800 0.006 0.000 1.122 454 F CA 0.532 58.550 58.000 0.031 0.000 1.080 454 F CB 1.035 40.078 39.000 0.072 0.000 1.131 454 F HN 0.572 nan 8.300 nan 0.000 0.471 455 G N 2.665 111.260 108.800 -0.342 0.000 2.322 455 G HA2 0.488 4.447 3.960 -0.001 0.000 0.295 455 G HA3 0.488 4.447 3.960 -0.001 0.000 0.295 455 G C -1.585 173.171 174.900 -0.240 0.000 1.369 455 G CA -0.244 44.749 45.100 -0.177 0.000 0.821 455 G HN 0.980 nan 8.290 nan 0.000 0.536 456 G N -1.603 107.121 108.800 -0.127 0.000 2.605 456 G HA2 0.899 4.858 3.960 -0.001 0.000 0.296 456 G HA3 0.899 4.858 3.960 -0.001 0.000 0.296 456 G C -0.365 174.487 174.900 -0.081 0.000 1.304 456 G CA 0.160 45.197 45.100 -0.105 0.000 0.941 456 G HN 1.818 nan 8.290 nan 0.000 0.475 457 V N -1.805 118.052 119.914 -0.094 0.000 3.096 457 V HA 0.852 4.971 4.120 -0.001 0.000 0.319 457 V C 0.785 176.826 176.094 -0.088 0.000 1.103 457 V CA -0.335 61.907 62.300 -0.097 0.000 1.016 457 V CB 1.050 32.799 31.823 -0.123 0.000 1.090 457 V HN 1.123 nan 8.190 nan 0.000 0.449 458 K N -0.652 119.698 120.400 -0.084 0.000 1.979 458 K HA -0.228 4.091 4.320 -0.001 0.000 0.143 458 K C 1.098 177.679 176.600 -0.031 0.000 1.185 458 K CA 1.809 58.047 56.287 -0.082 0.000 0.336 458 K CB -1.304 31.116 32.500 -0.134 0.000 0.680 458 K HN 0.808 nan 8.250 nan 0.000 0.783 459 Q N 0.565 120.361 119.800 -0.007 0.000 2.365 459 Q HA 0.148 4.488 4.340 -0.001 0.000 0.203 459 Q C 0.921 177.074 176.000 0.256 0.000 0.929 459 Q CA 0.733 56.594 55.803 0.097 0.000 0.948 459 Q CB 0.766 29.498 28.738 -0.010 0.000 1.043 459 Q HN 0.350 nan 8.270 nan 0.000 0.505 460 S N -0.121 115.680 115.700 0.168 0.000 2.593 460 S HA 0.309 4.778 4.470 -0.001 0.000 0.217 460 S C 0.928 175.572 174.600 0.074 0.000 0.966 460 S CA 0.431 58.705 58.200 0.123 0.000 0.914 460 S CB 0.324 63.559 63.200 0.059 0.000 0.776 460 S HN 0.634 nan 8.310 nan 0.000 0.523 461 G N 1.003 109.840 108.800 0.063 0.000 2.451 461 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.208 461 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.208 461 G C -1.149 173.762 174.900 0.018 0.000 1.248 461 G CA -0.859 44.272 45.100 0.052 0.000 0.989 461 G HN 0.284 nan 8.290 nan 0.000 0.559 462 L N 0.930 122.166 121.223 0.022 0.000 2.342 462 L HA 0.707 5.046 4.340 -0.001 0.000 0.271 462 L C 1.072 177.943 176.870 0.001 0.000 1.008 462 L CA -0.126 54.714 54.840 0.001 0.000 0.818 462 L CB 1.392 43.450 42.059 -0.002 0.000 1.296 462 L HN 2.549 nan 8.230 nan 0.000 0.427 463 G N 1.780 110.571 108.800 -0.016 0.000 2.860 463 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.553 463 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.553 463 G C -1.019 173.887 174.900 0.010 0.000 1.439 463 G CA -0.805 44.290 45.100 -0.009 0.000 0.879 463 G HN 0.506 nan 8.290 nan 0.000 0.545 464 R N 0.441 120.965 120.500 0.039 0.000 2.750 464 R HA 0.563 4.902 4.340 -0.001 0.000 0.281 464 R C -0.126 176.283 176.300 0.182 0.000 0.972 464 R CA -0.701 55.450 56.100 0.085 0.000 0.912 464 R CB 1.832 32.139 30.300 0.012 0.000 1.187 464 R HN 0.761 nan 8.270 nan 0.000 0.464 465 E N 0.058 120.407 120.200 0.248 0.000 2.221 465 E HA 0.590 4.939 4.350 -0.001 0.000 0.268 465 E C 0.038 176.852 176.600 0.357 0.000 0.933 465 E CA -0.624 55.936 56.400 0.267 0.000 0.809 465 E CB 2.003 31.781 29.700 0.130 0.000 1.190 465 E HN 0.749 nan 8.360 nan 0.000 0.406 466 G N 1.795 110.904 108.800 0.514 0.000 2.750 466 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.228 466 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.228 466 G C 0.062 175.132 174.900 0.283 0.000 1.367 466 G CA -0.071 45.315 45.100 0.477 0.000 0.871 466 G HN 1.557 nan 8.290 nan 0.000 0.560 467 S N -2.587 113.044 115.700 -0.115 0.000 3.323 467 S HA -0.297 4.173 4.470 -0.001 0.000 0.637 467 S C 1.314 176.212 174.600 0.496 0.000 2.667 467 S CA 1.853 60.090 58.200 0.061 0.000 2.852 467 S CB -1.130 62.139 63.200 0.116 0.000 0.331 467 S HN 2.757 nan 8.310 nan 0.000 1.796 468 H N 0.338 119.615 119.070 0.345 0.000 2.462 468 H HA -0.019 4.537 4.556 -0.001 0.000 0.292 468 H C 1.792 177.213 175.328 0.155 0.000 1.049 468 H CA 1.738 57.910 56.048 0.205 0.000 1.334 468 H CB -0.717 29.049 29.762 0.007 0.000 1.404 468 H HN 0.703 nan 8.280 nan 0.000 0.544 469 Y N 2.027 122.182 120.300 -0.241 0.000 2.274 469 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 469 Y C 3.040 179.034 175.900 0.158 0.000 1.145 469 Y CA 1.121 59.175 58.100 -0.077 0.000 1.203 469 Y CB -0.744 37.631 38.460 -0.142 0.000 0.984 469 Y HN 0.387 nan 8.280 nan 0.000 0.533 470 G N -0.168 108.903 108.800 0.452 0.000 2.442 470 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 470 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 470 G C 1.680 176.867 174.900 0.480 0.000 1.141 470 G CA 1.092 46.511 45.100 0.532 0.000 0.763 470 G HN 0.506 nan 8.290 nan 0.000 0.554 471 I N 0.092 120.960 120.570 0.496 0.000 3.226 471 I HA 0.032 4.201 4.170 -0.001 0.000 0.277 471 I C 1.648 177.970 176.117 0.342 0.000 1.243 471 I CA 0.367 61.906 61.300 0.399 0.000 1.459 471 I CB 0.056 38.273 38.000 0.362 0.000 1.093 471 I HN -0.039 nan 8.210 nan 0.000 0.453 472 D N 1.367 121.935 120.400 0.281 0.000 2.133 472 D HA -0.227 4.412 4.640 -0.001 0.000 0.192 472 D C 1.320 177.696 176.300 0.127 0.000 1.001 472 D CA 1.455 55.574 54.000 0.199 0.000 0.844 472 D CB -0.276 40.644 40.800 0.200 0.000 0.944 472 D HN 0.378 nan 8.370 nan 0.000 0.447 473 D N -1.047 119.388 120.400 0.060 0.000 2.363 473 D HA -0.053 4.586 4.640 -0.001 0.000 0.226 473 D C 0.863 176.961 176.300 -0.337 0.000 1.020 473 D CA 0.256 54.167 54.000 -0.147 0.000 0.892 473 D CB -0.064 40.591 40.800 -0.242 0.000 0.900 473 D HN 0.407 nan 8.370 nan 0.000 0.531 474 Y N -0.282 120.043 120.300 0.043 0.000 2.445 474 Y HA 0.105 4.655 4.550 -0.001 0.000 0.247 474 Y C 0.948 176.886 175.900 0.063 0.000 1.129 474 Y CA -0.423 57.696 58.100 0.031 0.000 1.251 474 Y CB 0.644 39.112 38.460 0.014 0.000 1.176 474 Y HN -0.211 nan 8.280 nan 0.000 0.522 475 V N -2.320 117.703 119.914 0.181 0.000 2.994 475 V HA 0.789 4.908 4.120 -0.001 0.000 0.318 475 V C -0.644 175.515 176.094 0.109 0.000 1.085 475 V CA -1.251 61.142 62.300 0.155 0.000 0.998 475 V CB 2.057 33.972 31.823 0.153 0.000 1.063 475 V HN -0.284 nan 8.190 nan 0.000 0.447 476 V N 2.738 122.720 119.914 0.112 0.000 2.789 476 V HA 0.651 4.771 4.120 -0.001 0.000 0.311 476 V C -0.540 175.609 176.094 0.092 0.000 1.073 476 V CA -0.543 61.812 62.300 0.091 0.000 0.921 476 V CB 1.962 33.839 31.823 0.090 0.000 1.009 476 V HN 1.139 nan 8.190 nan 0.000 0.426 477 I N 3.471 124.091 120.570 0.082 0.000 2.428 477 I HA 0.629 4.798 4.170 -0.001 0.000 0.296 477 I C -0.515 175.658 176.117 0.093 0.000 0.985 477 I CA 0.104 61.455 61.300 0.085 0.000 1.260 477 I CB 1.195 39.243 38.000 0.080 0.000 1.389 477 I HN 0.658 nan 8.210 nan 0.000 0.484 478 K N 5.632 126.090 120.400 0.097 0.000 2.502 478 K HA 0.288 4.607 4.320 -0.001 0.000 0.254 478 K C -1.840 174.844 176.600 0.140 0.000 0.947 478 K CA -0.748 55.600 56.287 0.101 0.000 0.834 478 K CB 0.995 33.533 32.500 0.064 0.000 1.112 478 K HN 0.724 nan 8.250 nan 0.000 0.427 479 Y N 5.727 126.040 120.300 0.022 0.000 2.316 479 Y HA 0.387 4.936 4.550 -0.001 0.000 0.331 479 Y C -1.432 174.476 175.900 0.014 0.000 1.083 479 Y CA -0.624 57.487 58.100 0.018 0.000 1.206 479 Y CB 0.634 39.105 38.460 0.018 0.000 1.195 479 Y HN 0.467 nan 8.280 nan 0.000 0.497 480 L N 7.112 128.156 121.223 -0.299 0.000 2.362 480 L HA 0.394 4.733 4.340 -0.001 0.000 0.275 480 L C -1.004 175.581 176.870 -0.475 0.000 0.998 480 L CA -0.847 53.767 54.840 -0.377 0.000 0.820 480 L CB 1.838 43.816 42.059 -0.136 0.000 1.270 480 L HN 0.736 nan 8.230 nan 0.000 0.415 481 C N 4.513 123.524 119.300 -0.482 0.000 2.439 481 C HA 0.449 4.908 4.460 -0.001 0.000 0.298 481 C C 0.318 175.230 174.990 -0.130 0.000 1.094 481 C CA -0.464 58.378 59.018 -0.294 0.000 1.609 481 C CB -0.225 27.327 27.740 -0.313 0.000 1.723 481 C HN 0.527 nan 8.230 nan 0.000 0.423 482 V N 5.057 124.925 119.914 -0.076 0.000 2.508 482 V HA 0.394 4.513 4.120 -0.001 0.000 0.281 482 V C 0.947 177.027 176.094 -0.024 0.000 1.041 482 V CA 0.042 62.315 62.300 -0.046 0.000 1.016 482 V CB 0.862 32.667 31.823 -0.030 0.000 0.984 482 V HN 0.894 nan 8.190 nan 0.000 0.478 483 A N 4.887 127.693 122.820 -0.023 0.000 2.320 483 A HA 0.860 5.179 4.320 -0.001 0.000 0.287 483 A C -0.088 177.491 177.584 -0.009 0.000 1.181 483 A CA 0.287 52.317 52.037 -0.011 0.000 0.831 483 A CB 0.543 19.536 19.000 -0.012 0.000 1.102 483 A HN 1.611 nan 8.150 nan 0.000 0.513 484 V N 0.000 119.912 119.914 -0.003 0.000 2.409 484 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 484 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 484 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556