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 1pcm_1_X DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGMVPTP VLYYAANVLE GKSGVMLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA MAKPMKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLMLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVMWKTGH DATA SEQUENCE SLIKKKMKET GALLAGEMSG HVFFKERWFG FDDGIYSAAR LLEILSQDQR DATA SEQUENCE DSEHVFSAFP SDISTPEINI TVTEDSKFAI IEALQRDAQW GEGNITTLDG DATA SEQUENCE VRVDYPKGWG LVRASNTTPV LVLRFEADTE EELERIKTVF RNQLKAVDSS DATA SEQUENCE LPVPF 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.956 176.870 0.143 0.000 1.165 9 L CA 0.000 54.917 54.840 0.129 0.000 0.813 9 L CB 0.000 42.194 42.059 0.226 0.000 0.961 10 P HA 0.248 nan 4.420 nan 0.000 0.275 10 P C 0.369 177.815 177.300 0.244 0.000 1.227 10 P CA -0.385 62.801 63.100 0.144 0.000 0.781 10 P CB 1.614 33.374 31.700 0.101 0.000 0.906 11 A N 2.620 125.547 122.820 0.179 0.000 2.014 11 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 11 A C 2.107 179.851 177.584 0.266 0.000 1.163 11 A CA 1.519 53.684 52.037 0.213 0.000 0.652 11 A CB -1.109 17.945 19.000 0.090 0.000 0.808 11 A HN 0.663 nan 8.150 nan 0.000 0.449 12 S N 0.694 116.498 115.700 0.174 0.000 2.447 12 S HA -0.128 4.342 4.470 -0.001 0.000 0.233 12 S C 1.753 176.422 174.600 0.115 0.000 1.006 12 S CA 1.085 59.361 58.200 0.127 0.000 0.957 12 S CB -0.899 62.349 63.200 0.080 0.000 0.773 12 S HN 0.858 nan 8.310 nan 0.000 0.507 13 I N -2.793 117.835 120.570 0.096 0.000 2.928 13 I HA 0.306 4.476 4.170 -0.001 0.000 0.266 13 I C -0.260 175.762 176.117 -0.158 0.000 1.234 13 I CA 0.065 61.330 61.300 -0.058 0.000 1.483 13 I CB -0.446 37.458 38.000 -0.161 0.000 1.097 13 I HN 0.012 nan 8.210 nan 0.000 0.455 14 F N 3.353 123.342 119.950 0.066 0.000 2.462 14 F HA 0.455 4.981 4.527 -0.001 0.000 0.354 14 F C 0.810 176.641 175.800 0.052 0.000 1.192 14 F CA -0.375 57.661 58.000 0.060 0.000 1.173 14 F CB 0.123 39.145 39.000 0.038 0.000 1.402 14 F HN -0.073 nan 8.300 nan 0.000 0.595 15 R N 0.843 121.433 120.500 0.150 0.000 2.719 15 R HA 0.678 5.017 4.340 -0.001 0.000 0.233 15 R C 1.318 177.649 176.300 0.052 0.000 1.257 15 R CA -0.316 55.830 56.100 0.078 0.000 1.109 15 R CB 0.387 30.701 30.300 0.024 0.000 1.447 15 R HN 0.533 nan 8.270 nan 0.000 0.537 16 A N 0.177 122.950 122.820 -0.079 0.000 1.902 16 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 16 A C 1.292 178.927 177.584 0.086 0.000 1.181 16 A CA 1.506 53.496 52.037 -0.079 0.000 0.623 16 A CB -0.458 18.392 19.000 -0.249 0.000 0.818 16 A HN 0.679 nan 8.150 nan 0.000 0.443 17 Y N -0.128 120.267 120.300 0.159 0.000 2.503 17 Y HA 0.300 4.849 4.550 -0.001 0.000 0.277 17 Y C 0.279 176.313 175.900 0.223 0.000 1.102 17 Y CA -0.540 57.667 58.100 0.178 0.000 1.261 17 Y CB -0.070 38.581 38.460 0.317 0.000 1.096 17 Y HN 0.615 nan 8.280 nan 0.000 0.546 18 D N -1.770 118.835 120.400 0.341 0.000 2.879 18 D HA 0.297 4.936 4.640 -0.001 0.000 0.346 18 D C -1.310 175.107 176.300 0.195 0.000 1.390 18 D CA -0.664 53.516 54.000 0.300 0.000 0.838 18 D CB 0.637 41.670 40.800 0.389 0.000 1.416 18 D HN -0.138 nan 8.370 nan 0.000 0.493 19 I N -0.668 120.011 120.570 0.181 0.000 2.412 19 I HA 0.681 4.851 4.170 -0.001 0.000 0.296 19 I C -0.462 175.732 176.117 0.128 0.000 0.987 19 I CA -0.695 60.651 61.300 0.078 0.000 1.180 19 I CB 1.581 39.586 38.000 0.008 0.000 1.340 19 I HN 0.372 nan 8.210 nan 0.000 0.455 20 R N 3.627 124.162 120.500 0.059 0.000 2.536 20 R HA 0.730 5.070 4.340 -0.001 0.000 0.269 20 R C -1.205 175.120 176.300 0.042 0.000 1.113 20 R CA -0.358 55.788 56.100 0.077 0.000 0.948 20 R CB 1.908 32.276 30.300 0.112 0.000 1.237 20 R HN 0.803 nan 8.270 nan 0.000 0.441 21 G N 0.940 109.753 108.800 0.022 0.000 2.788 21 G HA2 0.521 4.480 3.960 -0.001 0.000 0.293 21 G HA3 0.521 4.480 3.960 -0.001 0.000 0.293 21 G C -1.696 173.101 174.900 -0.171 0.000 1.392 21 G CA -0.568 44.503 45.100 -0.048 0.000 0.810 21 G HN 0.365 nan 8.290 nan 0.000 0.508 22 V N 0.702 120.454 119.914 -0.270 0.000 2.370 22 V HA 0.389 4.508 4.120 -0.001 0.000 0.283 22 V C 0.343 176.319 176.094 -0.198 0.000 1.023 22 V CA -0.659 61.389 62.300 -0.420 0.000 0.857 22 V CB 1.278 32.788 31.823 -0.521 0.000 0.985 22 V HN 0.550 nan 8.190 nan 0.000 0.443 23 V N 5.069 124.896 119.914 -0.146 0.000 2.655 23 V HA 0.466 4.585 4.120 -0.001 0.000 0.300 23 V C 1.504 177.562 176.094 -0.060 0.000 1.044 23 V CA 1.533 63.791 62.300 -0.070 0.000 1.095 23 V CB 0.344 32.138 31.823 -0.048 0.000 0.952 23 V HN 1.256 nan 8.190 nan 0.000 0.485 24 G N 3.437 112.218 108.800 -0.031 0.000 2.299 24 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.237 24 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.237 24 G C 0.558 175.445 174.900 -0.022 0.000 1.027 24 G CA 0.689 45.775 45.100 -0.023 0.000 0.619 24 G HN 0.741 nan 8.290 nan 0.000 0.513 25 D N -0.263 120.112 120.400 -0.042 0.000 2.855 25 D HA 0.150 4.789 4.640 -0.001 0.000 0.257 25 D C 2.590 178.877 176.300 -0.021 0.000 1.542 25 D CA 2.436 56.413 54.000 -0.038 0.000 1.164 25 D CB -0.492 40.267 40.800 -0.068 0.000 1.004 25 D HN 0.456 nan 8.370 nan 0.000 0.293 26 T N -1.121 113.411 114.554 -0.038 0.000 3.081 26 T HA 0.220 4.569 4.350 -0.001 0.000 0.250 26 T C 0.433 175.141 174.700 0.012 0.000 1.100 26 T CA -0.218 61.877 62.100 -0.008 0.000 1.038 26 T CB 0.266 69.123 68.868 -0.017 0.000 0.962 26 T HN 0.079 nan 8.240 nan 0.000 0.516 27 L N 2.799 124.025 121.223 0.005 0.000 2.457 27 L HA 0.582 4.922 4.340 -0.001 0.000 0.266 27 L C -0.279 176.622 176.870 0.052 0.000 0.979 27 L CA -0.394 54.473 54.840 0.045 0.000 0.857 27 L CB 1.508 43.590 42.059 0.037 0.000 1.213 27 L HN 0.345 nan 8.230 nan 0.000 0.418 28 T N 0.961 115.565 114.554 0.084 0.000 2.937 28 T HA 0.737 5.086 4.350 -0.001 0.000 0.283 28 T C 1.231 175.997 174.700 0.110 0.000 1.012 28 T CA -0.161 61.987 62.100 0.080 0.000 0.997 28 T CB 1.411 70.328 68.868 0.081 0.000 1.136 28 T HN 0.597 nan 8.240 nan 0.000 0.551 29 A N 0.337 123.210 122.820 0.088 0.000 1.908 29 A HA 0.044 4.363 4.320 -0.001 0.000 0.218 29 A C 2.573 180.233 177.584 0.127 0.000 1.181 29 A CA 2.428 54.522 52.037 0.094 0.000 0.627 29 A CB -1.869 17.163 19.000 0.054 0.000 0.818 29 A HN 1.184 nan 8.150 nan 0.000 0.445 30 E N -1.073 119.210 120.200 0.138 0.000 2.077 30 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 30 E C 2.021 178.819 176.600 0.331 0.000 0.989 30 E CA 1.919 58.442 56.400 0.205 0.000 0.800 30 E CB -1.661 28.180 29.700 0.235 0.000 0.746 30 E HN 0.612 nan 8.360 nan 0.000 0.452 31 T N 0.071 114.794 114.554 0.282 0.000 2.788 31 T HA 0.043 4.392 4.350 -0.001 0.000 0.268 31 T C 2.350 177.179 174.700 0.214 0.000 1.044 31 T CA 1.586 63.855 62.100 0.281 0.000 1.139 31 T CB -0.424 68.563 68.868 0.198 0.000 0.867 31 T HN 0.606 nan 8.240 nan 0.000 0.454 32 A N 0.373 123.323 122.820 0.217 0.000 1.933 32 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 32 A C 2.051 179.685 177.584 0.082 0.000 1.175 32 A CA 1.529 53.705 52.037 0.230 0.000 0.628 32 A CB -0.967 18.235 19.000 0.337 0.000 0.814 32 A HN 0.617 nan 8.150 nan 0.000 0.444 33 Y N -0.994 119.281 120.300 -0.041 0.000 2.097 33 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 33 Y C 2.085 177.825 175.900 -0.266 0.000 1.152 33 Y CA 1.995 59.962 58.100 -0.221 0.000 1.136 33 Y CB -0.549 37.665 38.460 -0.410 0.000 0.975 33 Y HN 0.441 nan 8.280 nan 0.000 0.498 34 W N 0.046 121.332 121.300 -0.022 0.000 2.436 34 W HA -0.089 4.570 4.660 -0.001 0.000 0.284 34 W C 2.315 178.740 176.519 -0.156 0.000 1.225 34 W CA 0.963 58.250 57.345 -0.098 0.000 1.271 34 W CB -0.287 29.216 29.460 0.071 0.000 1.114 34 W HN 0.040 nan 8.180 nan 0.000 0.559 35 I N 0.194 120.772 120.570 0.013 0.000 2.226 35 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 35 I C 2.717 178.704 176.117 -0.216 0.000 1.100 35 I CA 1.572 62.775 61.300 -0.161 0.000 1.374 35 I CB -1.055 36.619 38.000 -0.543 0.000 1.057 35 I HN 0.070 nan 8.210 nan 0.000 0.413 36 G N 0.432 109.079 108.800 -0.254 0.000 2.440 36 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.218 36 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.218 36 G C 1.732 176.490 174.900 -0.236 0.000 1.154 36 G CA 0.812 45.776 45.100 -0.227 0.000 0.767 36 G HN 0.190 nan 8.290 nan 0.000 0.552 37 R N 0.800 121.096 120.500 -0.340 0.000 2.081 37 R HA 0.091 4.430 4.340 -0.001 0.000 0.235 37 R C 2.856 179.117 176.300 -0.064 0.000 1.131 37 R CA 1.682 57.642 56.100 -0.233 0.000 0.960 37 R CB -0.680 29.468 30.300 -0.254 0.000 0.856 37 R HN 0.289 nan 8.270 nan 0.000 0.436 38 A N 0.087 122.895 122.820 -0.021 0.000 1.873 38 A HA -0.092 4.228 4.320 -0.001 0.000 0.215 38 A C 2.222 179.799 177.584 -0.011 0.000 1.186 38 A CA 1.508 53.549 52.037 0.008 0.000 0.616 38 A CB -0.536 18.485 19.000 0.035 0.000 0.823 38 A HN 0.323 nan 8.150 nan 0.000 0.442 39 I N -0.244 120.306 120.570 -0.033 0.000 2.226 39 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 39 I C 2.673 178.777 176.117 -0.020 0.000 1.100 39 I CA 1.109 62.396 61.300 -0.021 0.000 1.374 39 I CB -0.518 37.465 38.000 -0.028 0.000 1.057 39 I HN 0.393 nan 8.210 nan 0.000 0.413 40 G N -0.125 108.652 108.800 -0.039 0.000 2.422 40 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 40 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 40 G C 1.757 176.645 174.900 -0.020 0.000 1.146 40 G CA 0.952 46.032 45.100 -0.033 0.000 0.769 40 G HN 0.366 nan 8.290 nan 0.000 0.547 41 S N 0.497 116.187 115.700 -0.016 0.000 2.368 41 S HA -0.083 4.387 4.470 -0.001 0.000 0.224 41 S C 2.168 176.766 174.600 -0.003 0.000 1.029 41 S CA 1.497 59.694 58.200 -0.004 0.000 0.988 41 S CB -0.170 63.033 63.200 0.004 0.000 0.838 41 S HN 0.487 nan 8.310 nan 0.000 0.462 42 E N 1.662 121.860 120.200 -0.002 0.000 2.072 42 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 42 E C 2.142 178.742 176.600 -0.000 0.000 0.985 42 E CA 1.273 57.673 56.400 0.000 0.000 0.801 42 E CB -0.561 29.142 29.700 0.005 0.000 0.750 42 E HN 0.291 nan 8.360 nan 0.000 0.452 43 S N -0.668 115.031 115.700 -0.002 0.000 2.356 43 S HA -0.099 4.370 4.470 -0.001 0.000 0.223 43 S C 1.885 176.482 174.600 -0.004 0.000 1.032 43 S CA 1.289 59.488 58.200 -0.003 0.000 1.005 43 S CB -0.361 62.837 63.200 -0.004 0.000 0.867 43 S HN 0.356 nan 8.310 nan 0.000 0.449 44 L N 0.985 122.205 121.223 -0.005 0.000 2.083 44 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 44 L C 2.761 179.629 176.870 -0.004 0.000 1.083 44 L CA 1.190 56.027 54.840 -0.005 0.000 0.752 44 L CB -0.550 41.507 42.059 -0.004 0.000 0.899 44 L HN 0.388 nan 8.230 nan 0.000 0.433 45 A N -0.166 122.653 122.820 -0.003 0.000 2.067 45 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 45 A C 2.157 179.739 177.584 -0.004 0.000 1.158 45 A CA 1.080 53.115 52.037 -0.003 0.000 0.661 45 A CB -0.333 18.665 19.000 -0.003 0.000 0.801 45 A HN 0.367 nan 8.150 nan 0.000 0.452 46 R N -1.324 119.174 120.500 -0.004 0.000 2.388 46 R HA 0.247 4.587 4.340 -0.001 0.000 0.247 46 R C 0.999 177.296 176.300 -0.006 0.000 0.931 46 R CA 0.471 56.568 56.100 -0.005 0.000 1.082 46 R CB 0.044 30.341 30.300 -0.004 0.000 1.135 46 R HN 0.618 nan 8.270 nan 0.000 0.525 47 G N 1.895 110.692 108.800 -0.005 0.000 2.132 47 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.234 47 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.234 47 G C -0.247 174.649 174.900 -0.007 0.000 0.989 47 G CA 0.124 45.221 45.100 -0.006 0.000 0.676 47 G HN 0.322 nan 8.290 nan 0.000 0.522 48 E N 0.612 120.807 120.200 -0.007 0.000 2.255 48 E HA 0.545 4.894 4.350 -0.001 0.000 0.245 48 E C -1.045 175.550 176.600 -0.009 0.000 0.909 48 E CA -2.268 54.127 56.400 -0.009 0.000 0.747 48 E CB 1.456 31.150 29.700 -0.009 0.000 1.215 48 E HN 0.135 nan 8.360 nan 0.000 0.424 49 P HA 0.049 nan 4.420 nan 0.000 0.236 49 P C -0.198 177.095 177.300 -0.011 0.000 1.177 49 P CA -0.016 63.078 63.100 -0.009 0.000 0.773 49 P CB 0.274 31.969 31.700 -0.008 0.000 0.878 50 C N 1.144 120.437 119.300 -0.013 0.000 2.273 50 C HA 0.534 4.993 4.460 -0.001 0.000 0.328 50 C C 0.215 175.195 174.990 -0.016 0.000 1.275 50 C CA -0.421 58.587 59.018 -0.015 0.000 1.704 50 C CB 0.734 28.463 27.740 -0.019 0.000 2.326 50 C HN -0.000 nan 8.230 nan 0.000 0.517 51 V N 3.312 123.217 119.914 -0.014 0.000 2.577 51 V HA 0.690 4.809 4.120 -0.001 0.000 0.303 51 V C 0.289 176.377 176.094 -0.011 0.000 1.042 51 V CA -0.428 61.867 62.300 -0.010 0.000 0.872 51 V CB 1.478 33.299 31.823 -0.004 0.000 0.998 51 V HN 1.017 nan 8.190 nan 0.000 0.423 52 A N 4.286 127.097 122.820 -0.014 0.000 2.316 52 A HA 0.840 5.159 4.320 -0.001 0.000 0.284 52 A C -0.480 177.101 177.584 -0.005 0.000 1.115 52 A CA -0.387 51.639 52.037 -0.019 0.000 0.812 52 A CB 1.042 20.020 19.000 -0.037 0.000 1.064 52 A HN 0.815 nan 8.150 nan 0.000 0.489 53 V N 1.314 121.223 119.914 -0.008 0.000 2.638 53 V HA 0.753 4.872 4.120 -0.001 0.000 0.306 53 V C 0.544 176.627 176.094 -0.019 0.000 1.052 53 V CA 0.128 62.428 62.300 0.001 0.000 0.885 53 V CB 1.821 33.653 31.823 0.014 0.000 0.999 53 V HN 1.330 nan 8.190 nan 0.000 0.424 54 G N 3.686 112.468 108.800 -0.031 0.000 2.680 54 G HA2 0.871 4.830 3.960 -0.001 0.000 0.290 54 G HA3 0.871 4.830 3.960 -0.001 0.000 0.290 54 G C -1.223 173.641 174.900 -0.059 0.000 1.355 54 G CA -0.934 44.133 45.100 -0.055 0.000 0.903 54 G HN 0.858 nan 8.290 nan 0.000 0.474 55 R N -0.507 119.954 120.500 -0.066 0.000 2.774 55 R HA 0.641 4.980 4.340 -0.001 0.000 0.272 55 R C -1.072 175.188 176.300 -0.067 0.000 1.000 55 R CA -0.820 55.238 56.100 -0.071 0.000 0.906 55 R CB 1.696 31.959 30.300 -0.062 0.000 1.227 55 R HN 0.560 nan 8.270 nan 0.000 0.468 56 D N 0.615 120.980 120.400 -0.058 0.000 2.453 56 D HA 0.171 4.810 4.640 -0.001 0.000 0.282 56 D C 0.765 177.053 176.300 -0.020 0.000 1.222 56 D CA -0.344 53.638 54.000 -0.031 0.000 1.079 56 D CB -0.046 40.753 40.800 -0.002 0.000 1.128 56 D HN 0.680 nan 8.370 nan 0.000 0.568 57 G N -1.340 107.465 108.800 0.009 0.000 3.448 57 G HA2 0.101 4.060 3.960 -0.001 0.000 0.261 57 G HA3 0.101 4.060 3.960 -0.001 0.000 0.261 57 G C 0.335 175.204 174.900 -0.051 0.000 1.173 57 G CA -0.469 44.627 45.100 -0.007 0.000 0.835 57 G HN 0.177 nan 8.290 nan 0.000 0.534 58 R N -0.436 120.032 120.500 -0.052 0.000 2.679 58 R HA 0.322 4.662 4.340 -0.001 0.000 0.269 58 R C 1.251 177.486 176.300 -0.109 0.000 1.076 58 R CA -0.549 55.486 56.100 -0.108 0.000 1.160 58 R CB 0.956 31.225 30.300 -0.052 0.000 1.054 58 R HN 0.092 nan 8.270 nan 0.000 0.507 59 L N 0.786 121.927 121.223 -0.136 0.000 2.083 59 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 59 L C 2.176 179.004 176.870 -0.070 0.000 1.083 59 L CA 1.586 56.364 54.840 -0.103 0.000 0.752 59 L CB -0.385 41.609 42.059 -0.109 0.000 0.899 59 L HN 0.735 nan 8.230 nan 0.000 0.433 60 S N -0.558 115.103 115.700 -0.065 0.000 2.562 60 S HA 0.016 4.486 4.470 -0.001 0.000 0.221 60 S C 1.989 176.557 174.600 -0.053 0.000 0.975 60 S CA 0.307 58.476 58.200 -0.051 0.000 0.918 60 S CB -0.367 62.804 63.200 -0.047 0.000 0.772 60 S HN 0.402 nan 8.310 nan 0.000 0.531 61 G N 3.369 112.133 108.800 -0.060 0.000 2.586 61 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 61 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 61 G C -0.641 174.234 174.900 -0.041 0.000 1.216 61 G CA 1.182 46.247 45.100 -0.058 0.000 0.786 61 G HN 0.517 nan 8.290 nan 0.000 0.583 62 P HA -0.083 nan 4.420 nan 0.000 0.215 62 P C 1.708 179.000 177.300 -0.013 0.000 1.157 62 P CA 1.551 64.638 63.100 -0.023 0.000 0.874 62 P CB -0.016 31.670 31.700 -0.024 0.000 0.790 63 E N -0.436 119.756 120.200 -0.014 0.000 2.031 63 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 63 E C 1.957 178.564 176.600 0.013 0.000 0.994 63 E CA 1.107 57.506 56.400 -0.002 0.000 0.800 63 E CB -0.497 29.200 29.700 -0.004 0.000 0.752 63 E HN 0.144 nan 8.360 nan 0.000 0.447 64 L N 0.315 121.543 121.223 0.009 0.000 2.156 64 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 64 L C 2.611 179.515 176.870 0.057 0.000 1.095 64 L CA 0.339 55.203 54.840 0.039 0.000 0.770 64 L CB -0.317 41.745 42.059 0.004 0.000 0.914 64 L HN 0.118 nan 8.230 nan 0.000 0.439 65 V N 0.840 120.766 119.914 0.020 0.000 2.427 65 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 65 V C 3.034 179.152 176.094 0.041 0.000 1.051 65 V CA 2.378 64.695 62.300 0.029 0.000 1.048 65 V CB -0.298 31.524 31.823 -0.002 0.000 0.666 65 V HN 0.522 nan 8.190 nan 0.000 0.456 66 K N -1.336 119.082 120.400 0.030 0.000 2.057 66 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 66 K C 1.906 178.537 176.600 0.052 0.000 1.049 66 K CA 1.822 58.127 56.287 0.030 0.000 0.931 66 K CB -0.692 31.818 32.500 0.016 0.000 0.714 66 K HN 0.595 nan 8.250 nan 0.000 0.440 67 Q N -0.406 119.438 119.800 0.074 0.000 2.083 67 Q HA -0.018 4.322 4.340 -0.001 0.000 0.198 67 Q C 2.265 178.333 176.000 0.113 0.000 0.969 67 Q CA 1.318 57.193 55.803 0.120 0.000 0.838 67 Q CB -0.531 28.282 28.738 0.126 0.000 0.900 67 Q HN 0.512 nan 8.270 nan 0.000 0.436 68 L N 0.703 121.992 121.223 0.110 0.000 2.012 68 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 68 L C 2.100 178.983 176.870 0.022 0.000 1.073 68 L CA 1.610 56.505 54.840 0.090 0.000 0.748 68 L CB -0.662 41.524 42.059 0.212 0.000 0.891 68 L HN 0.125 nan 8.230 nan 0.000 0.431 69 I N -0.840 119.752 120.570 0.037 0.000 2.226 69 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 69 I C 2.557 178.678 176.117 0.007 0.000 1.100 69 I CA 1.427 62.737 61.300 0.016 0.000 1.374 69 I CB -0.276 37.736 38.000 0.019 0.000 1.057 69 I HN 0.422 nan 8.210 nan 0.000 0.413 70 Q N 1.117 120.942 119.800 0.041 0.000 2.079 70 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 70 Q C 2.128 178.153 176.000 0.041 0.000 0.974 70 Q CA 2.014 57.868 55.803 0.085 0.000 0.840 70 Q CB -0.640 28.190 28.738 0.153 0.000 0.898 70 Q HN 0.473 nan 8.270 nan 0.000 0.430 71 G N 0.411 109.105 108.800 -0.177 0.000 2.446 71 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 71 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 71 G C 1.326 176.045 174.900 -0.301 0.000 1.168 71 G CA 1.068 45.781 45.100 -0.645 0.000 0.771 71 G HN 0.385 nan 8.290 nan 0.000 0.551 72 L N 0.487 121.614 121.223 -0.160 0.000 2.017 72 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 72 L C 3.072 179.908 176.870 -0.058 0.000 1.073 72 L CA 1.244 56.030 54.840 -0.089 0.000 0.745 72 L CB -0.614 41.416 42.059 -0.048 0.000 0.894 72 L HN 0.244 nan 8.230 nan 0.000 0.432 73 V N -1.963 117.929 119.914 -0.036 0.000 2.626 73 V HA -0.200 3.919 4.120 -0.001 0.000 0.252 73 V C 1.699 177.789 176.094 -0.007 0.000 1.067 73 V CA 1.947 64.239 62.300 -0.013 0.000 1.081 73 V CB -0.476 31.347 31.823 0.000 0.000 0.686 73 V HN 0.351 nan 8.190 nan 0.000 0.468 74 D N -0.412 119.983 120.400 -0.009 0.000 2.371 74 D HA -0.011 4.628 4.640 -0.001 0.000 0.221 74 D C 1.842 178.140 176.300 -0.003 0.000 0.986 74 D CA 1.296 55.304 54.000 0.013 0.000 0.899 74 D CB -0.300 40.541 40.800 0.067 0.000 0.902 74 D HN 0.624 nan 8.370 nan 0.000 0.530 75 C N -0.844 118.440 119.300 -0.027 0.000 2.563 75 C HA 0.342 4.802 4.460 -0.001 0.000 0.268 75 C C 1.867 176.854 174.990 -0.005 0.000 1.365 75 C CA 0.516 59.524 59.018 -0.016 0.000 1.754 75 C CB -0.515 27.208 27.740 -0.029 0.000 1.932 75 C HN 0.525 nan 8.230 nan 0.000 0.536 76 G N -0.666 108.131 108.800 -0.006 0.000 2.144 76 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 76 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 76 G C 0.019 174.915 174.900 -0.007 0.000 0.988 76 G CA -0.041 45.058 45.100 -0.003 0.000 0.659 76 G HN 0.474 nan 8.290 nan 0.000 0.522 77 C N 0.983 120.276 119.300 -0.012 0.000 2.605 77 C HA 0.516 4.975 4.460 -0.001 0.000 0.404 77 C C 0.960 175.944 174.990 -0.010 0.000 1.284 77 C CA -0.146 58.864 59.018 -0.013 0.000 2.199 77 C CB 0.785 28.514 27.740 -0.018 0.000 2.647 77 C HN 0.581 nan 8.230 nan 0.000 0.604 78 Q N 1.512 121.306 119.800 -0.010 0.000 2.406 78 Q HA 0.397 4.736 4.340 -0.001 0.000 0.242 78 Q C -0.694 175.299 176.000 -0.010 0.000 1.036 78 Q CA -0.174 55.624 55.803 -0.009 0.000 0.904 78 Q CB 0.816 29.549 28.738 -0.009 0.000 1.244 78 Q HN 0.562 nan 8.270 nan 0.000 0.478 79 V N 2.112 122.021 119.914 -0.009 0.000 2.509 79 V HA 0.195 4.314 4.120 -0.001 0.000 0.284 79 V C 0.120 176.208 176.094 -0.009 0.000 1.047 79 V CA -0.358 61.937 62.300 -0.009 0.000 0.952 79 V CB 1.735 33.554 31.823 -0.006 0.000 0.988 79 V HN 0.652 nan 8.190 nan 0.000 0.469 80 S N 3.069 118.762 115.700 -0.012 0.000 2.461 80 S HA 0.220 4.689 4.470 -0.001 0.000 0.322 80 S C -0.386 174.207 174.600 -0.013 0.000 1.063 80 S CA -0.481 57.711 58.200 -0.014 0.000 1.120 80 S CB 0.468 63.656 63.200 -0.020 0.000 0.968 80 S HN 0.842 nan 8.310 nan 0.000 0.467 81 D N 2.983 123.377 120.400 -0.010 0.000 2.365 81 D HA 0.125 4.764 4.640 -0.001 0.000 0.237 81 D C 1.018 177.310 176.300 -0.013 0.000 1.190 81 D CA -0.567 53.427 54.000 -0.010 0.000 0.867 81 D CB 0.895 41.691 40.800 -0.007 0.000 1.050 81 D HN 0.333 nan 8.370 nan 0.000 0.491 82 V N 2.203 122.105 119.914 -0.020 0.000 3.633 82 V HA 0.425 4.544 4.120 -0.001 0.000 0.283 82 V C 1.266 177.344 176.094 -0.027 0.000 1.305 82 V CA 0.517 62.804 62.300 -0.022 0.000 1.153 82 V CB -0.849 30.957 31.823 -0.028 0.000 0.950 82 V HN 0.697 nan 8.190 nan 0.000 0.432 83 G N 1.056 109.841 108.800 -0.026 0.000 2.547 83 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.271 83 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.271 83 G C -0.090 174.787 174.900 -0.039 0.000 1.209 83 G CA 0.411 45.494 45.100 -0.028 0.000 0.959 83 G HN 0.813 nan 8.290 nan 0.000 0.563 84 M N 1.288 120.865 119.600 -0.039 0.000 2.105 84 M HA 0.545 5.024 4.480 -0.001 0.000 0.350 84 M C 0.221 176.486 176.300 -0.058 0.000 1.308 84 M CA -0.474 54.798 55.300 -0.045 0.000 1.108 84 M CB 0.358 32.937 32.600 -0.035 0.000 1.622 84 M HN 1.415 nan 8.290 nan 0.000 0.468 85 V N 3.171 123.037 119.914 -0.079 0.000 3.147 85 V HA 0.763 4.882 4.120 -0.001 0.000 0.306 85 V C -2.996 173.017 176.094 -0.135 0.000 1.209 85 V CA -2.204 60.028 62.300 -0.114 0.000 1.023 85 V CB 1.476 33.215 31.823 -0.141 0.000 1.059 85 V HN 0.638 nan 8.190 nan 0.000 0.435 86 P HA 0.238 nan 4.420 nan 0.000 0.269 86 P C 1.034 178.196 177.300 -0.231 0.000 1.209 86 P CA 0.356 63.355 63.100 -0.168 0.000 0.776 86 P CB 0.545 32.136 31.700 -0.180 0.000 0.876 87 T N 4.137 118.554 114.554 -0.228 0.000 2.620 87 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 87 T C -0.742 173.571 174.700 -0.645 0.000 1.044 87 T CA 2.491 64.344 62.100 -0.411 0.000 1.161 87 T CB -1.810 66.870 68.868 -0.313 0.000 0.862 87 T HN 0.587 nan 8.240 nan 0.000 0.438 88 P HA 0.020 nan 4.420 nan 0.000 0.220 88 P C 1.539 178.672 177.300 -0.278 0.000 1.148 88 P CA 0.749 63.742 63.100 -0.178 0.000 0.803 88 P CB -0.246 31.667 31.700 0.355 0.000 0.782 89 V N 0.867 120.556 119.914 -0.375 0.000 2.453 89 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 89 V C 2.649 178.608 176.094 -0.225 0.000 1.048 89 V CA 1.140 63.183 62.300 -0.430 0.000 1.049 89 V CB -1.159 30.325 31.823 -0.564 0.000 0.672 89 V HN 0.084 nan 8.190 nan 0.000 0.457 90 L N -0.289 120.757 121.223 -0.294 0.000 2.017 90 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 90 L C 2.446 179.194 176.870 -0.204 0.000 1.073 90 L CA 2.313 57.014 54.840 -0.232 0.000 0.745 90 L CB -0.872 41.037 42.059 -0.250 0.000 0.894 90 L HN 0.383 nan 8.230 nan 0.000 0.432 91 Y N -1.510 118.545 120.300 -0.408 0.000 2.165 91 Y HA -0.366 4.184 4.550 -0.001 0.000 0.286 91 Y C 2.685 178.165 175.900 -0.700 0.000 1.155 91 Y CA 1.302 59.005 58.100 -0.662 0.000 1.164 91 Y CB -0.564 37.159 38.460 -1.229 0.000 0.978 91 Y HN 0.220 nan 8.280 nan 0.000 0.513 92 Y N 0.827 120.754 120.300 -0.622 0.000 2.081 92 Y HA -0.361 4.188 4.550 -0.001 0.000 0.280 92 Y C 2.468 178.190 175.900 -0.296 0.000 1.163 92 Y CA 1.193 59.082 58.100 -0.351 0.000 1.135 92 Y CB -0.786 37.671 38.460 -0.004 0.000 0.970 92 Y HN 0.066 nan 8.280 nan 0.000 0.498 93 A N 0.536 123.240 122.820 -0.194 0.000 1.908 93 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 93 A C 2.327 179.766 177.584 -0.242 0.000 1.181 93 A CA 2.054 53.961 52.037 -0.217 0.000 0.627 93 A CB -1.552 17.397 19.000 -0.086 0.000 0.818 93 A HN 0.646 nan 8.150 nan 0.000 0.445 94 A N -0.945 121.763 122.820 -0.187 0.000 2.239 94 A HA -0.028 4.291 4.320 -0.001 0.000 0.209 94 A C 1.725 179.206 177.584 -0.172 0.000 1.171 94 A CA 1.097 53.054 52.037 -0.134 0.000 0.768 94 A CB -0.428 18.537 19.000 -0.059 0.000 0.790 94 A HN 0.603 nan 8.150 nan 0.000 0.478 95 N N -0.710 117.805 118.700 -0.308 0.000 2.414 95 N HA -0.005 4.734 4.740 -0.001 0.000 0.177 95 N C 1.452 176.737 175.510 -0.375 0.000 1.062 95 N CA 1.480 54.326 53.050 -0.341 0.000 0.890 95 N CB 0.802 38.952 38.487 -0.561 0.000 1.070 95 N HN 0.492 nan 8.380 nan 0.000 0.454 96 V N -1.844 117.769 119.914 -0.501 0.000 3.635 96 V HA 0.348 4.467 4.120 -0.001 0.000 0.266 96 V C 1.088 177.049 176.094 -0.222 0.000 1.316 96 V CA -0.019 62.048 62.300 -0.388 0.000 1.060 96 V CB -0.031 31.436 31.823 -0.593 0.000 0.820 96 V HN -0.108 nan 8.190 nan 0.000 0.447 97 L N 0.296 121.399 121.223 -0.199 0.000 2.543 97 L HA 0.553 4.893 4.340 -0.001 0.000 0.231 97 L C 2.542 179.363 176.870 -0.081 0.000 1.194 97 L CA 0.602 55.375 54.840 -0.113 0.000 0.823 97 L CB -0.029 41.974 42.059 -0.094 0.000 1.374 97 L HN 0.299 nan 8.230 nan 0.000 0.507 98 E N 0.556 120.724 120.200 -0.054 0.000 2.077 98 E HA -0.021 4.328 4.350 -0.001 0.000 0.193 98 E C 0.995 177.572 176.600 -0.040 0.000 0.989 98 E CA 1.098 57.475 56.400 -0.039 0.000 0.800 98 E CB -0.884 28.800 29.700 -0.027 0.000 0.746 98 E HN 0.792 nan 8.360 nan 0.000 0.452 99 G N -0.600 108.174 108.800 -0.043 0.000 2.448 99 G HA2 0.432 4.391 3.960 -0.001 0.000 0.285 99 G HA3 0.432 4.391 3.960 -0.001 0.000 0.285 99 G C 0.345 175.218 174.900 -0.046 0.000 1.176 99 G CA -0.323 44.754 45.100 -0.037 0.000 0.852 99 G HN 0.089 nan 8.290 nan 0.000 0.530 100 K N 0.573 120.952 120.400 -0.034 0.000 2.397 100 K HA 0.206 4.525 4.320 -0.001 0.000 0.202 100 K C 0.487 177.073 176.600 -0.023 0.000 1.022 100 K CA -0.030 56.236 56.287 -0.034 0.000 1.141 100 K CB 0.760 33.245 32.500 -0.025 0.000 0.857 100 K HN 0.283 nan 8.250 nan 0.000 0.514 101 S N 0.081 115.771 115.700 -0.017 0.000 2.549 101 S HA 0.760 5.229 4.470 -0.001 0.000 0.297 101 S C 0.081 174.683 174.600 0.003 0.000 1.115 101 S CA -0.672 57.527 58.200 -0.002 0.000 1.059 101 S CB 2.071 65.271 63.200 0.001 0.000 1.046 101 S HN 0.363 nan 8.310 nan 0.000 0.506 102 G N 0.390 109.207 108.800 0.029 0.000 2.732 102 G HA2 0.573 4.532 3.960 -0.001 0.000 0.296 102 G HA3 0.573 4.532 3.960 -0.001 0.000 0.296 102 G C -1.921 173.027 174.900 0.081 0.000 1.448 102 G CA -0.444 44.681 45.100 0.041 0.000 0.911 102 G HN 0.631 nan 8.290 nan 0.000 0.528 103 V N 1.596 121.556 119.914 0.077 0.000 2.577 103 V HA 0.657 4.777 4.120 -0.001 0.000 0.303 103 V C -0.415 175.730 176.094 0.086 0.000 1.042 103 V CA -0.720 61.653 62.300 0.121 0.000 0.872 103 V CB 1.730 33.641 31.823 0.147 0.000 0.998 103 V HN 0.854 nan 8.190 nan 0.000 0.423 104 M N 5.645 125.298 119.600 0.087 0.000 2.149 104 M HA 0.597 5.076 4.480 -0.001 0.000 0.342 104 M C -1.182 175.108 176.300 -0.018 0.000 1.068 104 M CA -0.672 54.624 55.300 -0.007 0.000 0.991 104 M CB 1.290 33.839 32.600 -0.086 0.000 1.596 104 M HN 0.613 nan 8.290 nan 0.000 0.439 105 L N 5.582 126.751 121.223 -0.090 0.000 2.268 105 L HA 0.671 5.010 4.340 -0.001 0.000 0.289 105 L C -0.741 176.015 176.870 -0.190 0.000 1.064 105 L CA 0.709 55.401 54.840 -0.247 0.000 0.824 105 L CB 0.422 42.339 42.059 -0.238 0.000 1.202 105 L HN 0.868 nan 8.230 nan 0.000 0.433 106 T N 2.689 117.132 114.554 -0.184 0.000 2.889 106 T HA 0.772 5.121 4.350 -0.001 0.000 0.315 106 T C -0.320 174.348 174.700 -0.053 0.000 1.291 106 T CA -0.035 62.014 62.100 -0.086 0.000 1.028 106 T CB 1.155 70.000 68.868 -0.038 0.000 1.235 106 T HN 0.728 nan 8.240 nan 0.000 0.491 110 N N 3.284 121.730 118.700 -0.423 0.000 2.399 110 N HA 0.232 4.971 4.740 -0.001 0.000 0.250 110 N C -2.440 172.901 175.510 -0.282 0.000 1.272 110 N CA -1.077 51.653 53.050 -0.533 0.000 0.928 110 N CB 0.674 38.766 38.487 -0.658 0.000 1.158 110 N HN 0.031 nan 8.380 nan 0.000 0.463 111 P HA -0.049 nan 4.420 nan 0.000 0.270 111 P C -1.911 175.529 177.300 0.234 0.000 1.216 111 P CA -0.645 62.442 63.100 -0.022 0.000 0.788 111 P CB -0.015 31.652 31.700 -0.055 0.000 0.883 112 P HA -0.180 nan 4.420 nan 0.000 0.217 112 P C 0.659 178.026 177.300 0.112 0.000 1.148 112 P CA 1.599 64.758 63.100 0.098 0.000 0.828 112 P CB -0.042 31.631 31.700 -0.045 0.000 0.783 113 D N -2.959 117.561 120.400 0.201 0.000 2.349 113 D HA -0.001 4.638 4.640 -0.001 0.000 0.224 113 D C 0.121 176.473 176.300 0.087 0.000 1.029 113 D CA 0.342 54.403 54.000 0.101 0.000 0.879 113 D CB -0.312 40.513 40.800 0.040 0.000 0.906 113 D HN 0.182 nan 8.370 nan 0.000 0.528 114 Y N 0.684 120.984 120.300 -0.000 0.000 2.299 114 Y HA 0.346 4.895 4.550 -0.001 0.000 0.326 114 Y C 1.088 176.971 175.900 -0.029 0.000 1.164 114 Y CA -0.300 57.794 58.100 -0.010 0.000 1.234 114 Y CB 0.713 39.167 38.460 -0.010 0.000 1.219 114 Y HN -0.239 nan 8.280 nan 0.000 0.497 115 N N -0.476 118.257 118.700 0.055 0.000 3.316 115 N HA 0.747 5.486 4.740 -0.001 0.000 0.300 115 N C -0.676 174.775 175.510 -0.099 0.000 1.567 115 N CA 0.080 53.104 53.050 -0.044 0.000 0.821 115 N CB 2.228 40.644 38.487 -0.118 0.000 1.748 115 N HN 0.812 nan 8.380 nan 0.000 0.603 116 G N -0.761 107.857 108.800 -0.303 0.000 2.317 116 G HA2 0.447 4.406 3.960 -0.001 0.000 0.293 116 G HA3 0.447 4.406 3.960 -0.001 0.000 0.293 116 G C -2.258 172.283 174.900 -0.598 0.000 1.287 116 G CA -0.647 44.283 45.100 -0.284 0.000 0.850 116 G HN 0.253 nan 8.290 nan 0.000 0.515 117 F N 0.428 120.397 119.950 0.032 0.000 2.573 117 F HA 0.614 5.141 4.527 -0.001 0.000 0.316 117 F C 0.128 175.992 175.800 0.106 0.000 1.148 117 F CA -0.790 57.241 58.000 0.051 0.000 0.940 117 F CB 2.706 41.722 39.000 0.027 0.000 1.214 117 F HN 0.191 nan 8.300 nan 0.000 0.448 118 K N 4.312 124.882 120.400 0.284 0.000 2.244 118 K HA 0.792 5.111 4.320 -0.001 0.000 0.260 118 K C -1.136 175.646 176.600 0.303 0.000 0.951 118 K CA -0.564 55.923 56.287 0.332 0.000 0.826 118 K CB 2.288 35.023 32.500 0.391 0.000 1.108 118 K HN 0.539 nan 8.250 nan 0.000 0.433 119 I N 2.498 123.224 120.570 0.261 0.000 2.466 119 I HA 0.303 4.472 4.170 -0.001 0.000 0.289 119 I C -0.888 175.306 176.117 0.129 0.000 1.026 119 I CA -1.171 60.239 61.300 0.183 0.000 1.078 119 I CB 2.057 40.144 38.000 0.145 0.000 1.249 119 I HN 0.173 nan 8.210 nan 0.000 0.429 120 V N 6.762 126.739 119.914 0.105 0.000 2.487 120 V HA 0.495 4.615 4.120 -0.001 0.000 0.298 120 V C -0.341 175.773 176.094 0.034 0.000 1.028 120 V CA -0.689 61.640 62.300 0.049 0.000 0.860 120 V CB 2.120 33.962 31.823 0.032 0.000 0.991 120 V HN 0.421 nan 8.190 nan 0.000 0.427 121 V N 3.539 123.464 119.914 0.019 0.000 2.483 121 V HA 0.693 4.812 4.120 -0.001 0.000 0.297 121 V C 0.634 176.729 176.094 0.002 0.000 1.027 121 V CA -0.160 62.147 62.300 0.012 0.000 0.855 121 V CB 1.208 33.039 31.823 0.014 0.000 0.995 121 V HN 1.340 nan 8.190 nan 0.000 0.424 122 A N 3.909 126.728 122.820 -0.003 0.000 2.745 122 A HA 0.048 4.367 4.320 -0.001 0.000 0.296 122 A C 1.774 179.353 177.584 -0.009 0.000 1.500 122 A CA 1.467 53.499 52.037 -0.007 0.000 0.766 122 A CB -1.491 17.505 19.000 -0.007 0.000 1.030 122 A HN 2.687 nan 8.150 nan 0.000 0.489 123 G N -1.931 106.863 108.800 -0.010 0.000 2.217 123 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.246 123 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.246 123 G C -0.051 174.841 174.900 -0.014 0.000 0.990 123 G CA 1.058 46.152 45.100 -0.010 0.000 0.627 123 G HN 1.731 nan 8.290 nan 0.000 0.522 124 E N 1.119 121.311 120.200 -0.014 0.000 2.166 124 E HA 0.559 4.909 4.350 -0.001 0.000 0.275 124 E C -0.388 176.200 176.600 -0.020 0.000 0.941 124 E CA -0.373 56.016 56.400 -0.019 0.000 0.784 124 E CB 0.841 30.533 29.700 -0.013 0.000 1.115 124 E HN 0.076 nan 8.360 nan 0.000 0.399 125 T N 4.938 119.468 114.554 -0.040 0.000 2.779 125 T HA 0.207 4.556 4.350 -0.001 0.000 0.296 125 T C 0.359 175.048 174.700 -0.018 0.000 0.938 125 T CA -0.323 61.749 62.100 -0.048 0.000 1.119 125 T CB 0.124 68.921 68.868 -0.119 0.000 0.891 125 T HN 0.365 nan 8.240 nan 0.000 0.526 126 L N 2.845 124.080 121.223 0.021 0.000 2.426 126 L HA 0.601 4.940 4.340 -0.001 0.000 0.271 126 L C 0.577 177.484 176.870 0.061 0.000 1.169 126 L CA -0.403 54.464 54.840 0.045 0.000 0.836 126 L CB 0.450 42.551 42.059 0.069 0.000 1.112 126 L HN 0.743 nan 8.230 nan 0.000 0.465 127 A N 2.133 124.995 122.820 0.070 0.000 2.602 127 A HA 0.590 4.909 4.320 -0.001 0.000 0.290 127 A C -0.121 177.516 177.584 0.088 0.000 1.114 127 A CA -0.610 51.489 52.037 0.104 0.000 0.683 127 A CB 1.387 20.455 19.000 0.114 0.000 1.281 127 A HN 0.762 nan 8.150 nan 0.000 0.416 128 N N -1.010 117.746 118.700 0.093 0.000 1.347 128 N HA -0.364 4.376 4.740 -0.001 0.000 0.141 128 N C 1.449 176.984 175.510 0.041 0.000 0.677 128 N CA 3.166 56.248 53.050 0.052 0.000 1.016 128 N CB -1.205 37.302 38.487 0.033 0.000 1.268 128 N HN 1.400 nan 8.380 nan 0.000 0.487 129 E N 1.197 121.408 120.200 0.019 0.000 2.265 129 E HA -0.162 4.187 4.350 -0.001 0.000 0.196 129 E C 1.989 178.597 176.600 0.014 0.000 0.996 129 E CA 2.142 58.545 56.400 0.006 0.000 0.832 129 E CB -0.714 28.982 29.700 -0.006 0.000 0.756 129 E HN 0.689 nan 8.360 nan 0.000 0.491 130 Q N -0.641 119.177 119.800 0.030 0.000 2.119 130 Q HA 0.009 4.348 4.340 -0.001 0.000 0.201 130 Q C 2.332 178.367 176.000 0.058 0.000 0.972 130 Q CA 1.239 57.063 55.803 0.035 0.000 0.847 130 Q CB -0.014 28.747 28.738 0.037 0.000 0.903 130 Q HN 0.506 nan 8.270 nan 0.000 0.433 131 I N 0.808 121.433 120.570 0.092 0.000 2.286 131 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 131 I C 2.166 178.372 176.117 0.148 0.000 1.104 131 I CA 1.117 62.516 61.300 0.165 0.000 1.397 131 I CB -0.859 37.263 38.000 0.203 0.000 1.072 131 I HN 0.289 nan 8.210 nan 0.000 0.417 132 Q N 0.848 120.682 119.800 0.057 0.000 2.170 132 Q HA -0.107 4.232 4.340 -0.001 0.000 0.203 132 Q C 2.381 178.307 176.000 -0.124 0.000 0.976 132 Q CA 1.640 57.401 55.803 -0.069 0.000 0.858 132 Q CB -0.560 28.149 28.738 -0.048 0.000 0.907 132 Q HN 0.524 nan 8.270 nan 0.000 0.433 133 A N 0.798 123.586 122.820 -0.054 0.000 1.972 133 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 133 A C 2.236 179.780 177.584 -0.067 0.000 1.169 133 A CA 0.976 52.979 52.037 -0.057 0.000 0.635 133 A CB -0.615 18.371 19.000 -0.023 0.000 0.810 133 A HN 0.313 nan 8.150 nan 0.000 0.446 134 L N -1.260 119.940 121.223 -0.039 0.000 2.027 134 L HA -0.162 4.177 4.340 -0.001 0.000 0.206 134 L C 2.778 179.570 176.870 -0.129 0.000 1.074 134 L CA 1.749 56.583 54.840 -0.010 0.000 0.745 134 L CB -0.545 41.589 42.059 0.124 0.000 0.898 134 L HN 0.427 nan 8.230 nan 0.000 0.433 135 R N 0.626 120.856 120.500 -0.450 0.000 2.091 135 R HA -0.214 4.125 4.340 -0.001 0.000 0.238 135 R C 2.135 178.211 176.300 -0.374 0.000 1.136 135 R CA 1.902 57.526 56.100 -0.794 0.000 0.959 135 R CB -0.101 29.277 30.300 -1.536 0.000 0.856 135 R HN 0.406 nan 8.270 nan 0.000 0.437 136 E N -0.373 119.663 120.200 -0.274 0.000 2.110 136 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 136 E C 2.198 178.727 176.600 -0.119 0.000 0.988 136 E CA 1.034 57.333 56.400 -0.169 0.000 0.804 136 E CB -0.003 29.620 29.700 -0.129 0.000 0.745 136 E HN 0.284 nan 8.360 nan 0.000 0.458 137 R N 0.284 120.727 120.500 -0.095 0.000 2.091 137 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 137 R C 2.299 178.563 176.300 -0.059 0.000 1.136 137 R CA 1.247 57.313 56.100 -0.056 0.000 0.959 137 R CB -0.269 30.015 30.300 -0.026 0.000 0.856 137 R HN 0.219 nan 8.270 nan 0.000 0.437 138 I N 0.605 121.130 120.570 -0.075 0.000 2.252 138 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 138 I C 2.238 178.253 176.117 -0.171 0.000 1.102 138 I CA 1.083 62.323 61.300 -0.099 0.000 1.385 138 I CB -0.220 37.740 38.000 -0.067 0.000 1.064 138 I HN 0.104 nan 8.210 nan 0.000 0.414 139 E N 1.225 121.332 120.200 -0.155 0.000 2.110 139 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 139 E C 1.983 178.512 176.600 -0.119 0.000 0.988 139 E CA 1.285 57.598 56.400 -0.145 0.000 0.804 139 E CB -0.163 29.459 29.700 -0.130 0.000 0.745 139 E HN 0.502 nan 8.360 nan 0.000 0.458 140 K N 0.308 120.650 120.400 -0.097 0.000 2.459 140 K HA 0.047 4.367 4.320 -0.001 0.000 0.193 140 K C 0.460 177.023 176.600 -0.061 0.000 1.030 140 K CA 0.041 56.285 56.287 -0.071 0.000 1.026 140 K CB -0.059 32.407 32.500 -0.057 0.000 0.809 140 K HN 0.145 nan 8.250 nan 0.000 0.504 141 N N 1.855 120.510 118.700 -0.075 0.000 2.708 141 N HA -0.194 4.545 4.740 -0.001 0.000 0.249 141 N C -0.930 174.575 175.510 -0.008 0.000 1.097 141 N CA 0.135 53.158 53.050 -0.044 0.000 0.710 141 N CB -0.544 37.919 38.487 -0.041 0.000 1.032 141 N HN 0.155 nan 8.380 nan 0.000 0.551 142 D N 1.314 121.706 120.400 -0.013 0.000 2.619 142 D HA 0.288 4.927 4.640 -0.001 0.000 0.224 142 D C -0.648 175.661 176.300 0.015 0.000 1.133 142 D CA 0.197 54.196 54.000 -0.002 0.000 1.017 142 D CB -0.057 40.734 40.800 -0.015 0.000 1.077 142 D HN 0.304 nan 8.370 nan 0.000 0.503 143 L N 1.313 122.558 121.223 0.037 0.000 2.408 143 L HA 0.675 5.014 4.340 -0.001 0.000 0.268 143 L C 0.293 177.193 176.870 0.050 0.000 0.986 143 L CA -1.365 53.510 54.840 0.058 0.000 0.820 143 L CB 1.972 44.105 42.059 0.123 0.000 1.303 143 L HN 0.109 nan 8.230 nan 0.000 0.411 144 A N 1.783 124.624 122.820 0.034 0.000 2.332 144 A HA 0.728 5.047 4.320 -0.001 0.000 0.258 144 A C -0.146 177.460 177.584 0.035 0.000 1.087 144 A CA -0.123 51.929 52.037 0.026 0.000 0.802 144 A CB 0.589 19.596 19.000 0.011 0.000 1.042 144 A HN 0.624 nan 8.150 nan 0.000 0.489 145 S N -0.690 115.029 115.700 0.032 0.000 2.571 145 S HA 0.820 5.289 4.470 -0.001 0.000 0.284 145 S C -0.040 174.574 174.600 0.024 0.000 1.128 145 S CA 0.042 58.264 58.200 0.037 0.000 0.970 145 S CB 1.873 65.102 63.200 0.048 0.000 1.039 145 S HN 1.705 nan 8.310 nan 0.000 0.485 146 G N 0.235 109.047 108.800 0.020 0.000 2.441 146 G HA2 0.515 4.474 3.960 -0.001 0.000 0.294 146 G HA3 0.515 4.474 3.960 -0.001 0.000 0.294 146 G C -1.608 173.299 174.900 0.012 0.000 1.393 146 G CA -0.296 44.812 45.100 0.013 0.000 0.796 146 G HN 1.165 nan 8.290 nan 0.000 0.494 147 V N 0.668 120.587 119.914 0.008 0.000 2.293 147 V HA 0.827 4.947 4.120 -0.001 0.000 0.275 147 V C 0.661 176.757 176.094 0.003 0.000 1.021 147 V CA 0.731 63.035 62.300 0.007 0.000 0.815 147 V CB 0.605 32.432 31.823 0.007 0.000 1.025 147 V HN 1.487 nan 8.190 nan 0.000 0.448 148 G N 4.860 113.661 108.800 0.002 0.000 2.509 148 G HA2 0.723 4.683 3.960 -0.001 0.000 0.269 148 G HA3 0.723 4.683 3.960 -0.001 0.000 0.269 148 G C -0.085 174.814 174.900 -0.001 0.000 1.416 148 G CA -0.014 45.085 45.100 -0.001 0.000 1.052 148 G HN 1.632 nan 8.290 nan 0.000 0.542 149 S N -2.771 112.927 115.700 -0.003 0.000 2.607 149 S HA 0.674 5.144 4.470 -0.001 0.000 0.273 149 S C -1.463 173.135 174.600 -0.003 0.000 1.148 149 S CA -0.722 57.477 58.200 -0.002 0.000 0.833 149 S CB 1.983 65.181 63.200 -0.003 0.000 1.130 149 S HN 0.856 nan 8.310 nan 0.000 0.470 150 V N 0.539 120.451 119.914 -0.003 0.000 2.577 150 V HA 0.881 5.000 4.120 -0.001 0.000 0.303 150 V C -0.081 176.011 176.094 -0.004 0.000 1.042 150 V CA -0.155 62.143 62.300 -0.003 0.000 0.872 150 V CB 0.995 32.817 31.823 -0.002 0.000 0.998 150 V HN 1.260 nan 8.190 nan 0.000 0.423 151 E N 2.548 122.746 120.200 -0.005 0.000 2.210 151 E HA 0.709 5.059 4.350 -0.001 0.000 0.266 151 E C -0.684 175.913 176.600 -0.005 0.000 0.883 151 E CA -0.956 55.441 56.400 -0.004 0.000 0.761 151 E CB 1.908 31.605 29.700 -0.005 0.000 1.156 151 E HN 0.730 nan 8.360 nan 0.000 0.412 152 Q N 0.148 119.946 119.800 -0.004 0.000 2.286 152 Q HA 0.543 4.882 4.340 -0.001 0.000 0.257 152 Q C -0.744 175.255 176.000 -0.002 0.000 0.941 152 Q CA -0.177 55.624 55.803 -0.004 0.000 0.912 152 Q CB 1.718 30.454 28.738 -0.004 0.000 1.192 152 Q HN 0.487 nan 8.270 nan 0.000 0.410 153 V N 2.634 122.547 119.914 -0.002 0.000 2.531 153 V HA 0.218 4.338 4.120 -0.001 0.000 0.301 153 V C -1.020 175.079 176.094 0.009 0.000 1.034 153 V CA -0.882 61.420 62.300 0.004 0.000 0.865 153 V CB 1.972 33.796 31.823 0.001 0.000 0.995 153 V HN 0.690 nan 8.190 nan 0.000 0.424 154 D N 3.478 123.888 120.400 0.016 0.000 2.456 154 D HA 0.326 4.965 4.640 -0.001 0.000 0.219 154 D C 0.378 176.706 176.300 0.047 0.000 1.126 154 D CA -0.040 53.973 54.000 0.021 0.000 0.890 154 D CB 1.153 41.962 40.800 0.014 0.000 1.025 154 D HN 0.493 nan 8.370 nan 0.000 0.511 155 I N 3.456 124.060 120.570 0.058 0.000 3.854 155 I HA 0.077 4.246 4.170 -0.001 0.000 0.312 155 I C 1.597 177.806 176.117 0.153 0.000 1.273 155 I CA 0.055 61.426 61.300 0.119 0.000 1.298 155 I CB 0.247 38.321 38.000 0.124 0.000 1.071 155 I HN 0.363 nan 8.210 nan 0.000 0.428 156 L N 2.072 123.348 121.223 0.089 0.000 2.012 156 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 156 L C -0.666 176.320 176.870 0.194 0.000 1.073 156 L CA 2.388 57.293 54.840 0.109 0.000 0.748 156 L CB -1.504 40.584 42.059 0.049 0.000 0.891 156 L HN 0.153 nan 8.230 nan 0.000 0.431 157 P HA -0.186 nan 4.420 nan 0.000 0.218 157 P C 1.495 178.916 177.300 0.202 0.000 1.148 157 P CA 1.376 64.541 63.100 0.109 0.000 0.822 157 P CB -0.115 31.603 31.700 0.031 0.000 0.784 158 R N -1.418 119.213 120.500 0.218 0.000 2.075 158 R HA -0.169 4.170 4.340 -0.001 0.000 0.232 158 R C 2.369 178.829 176.300 0.266 0.000 1.126 158 R CA 1.184 57.441 56.100 0.262 0.000 0.963 158 R CB -0.881 29.606 30.300 0.310 0.000 0.858 158 R HN 0.142 nan 8.270 nan 0.000 0.435 159 Y N 0.216 120.529 120.300 0.021 0.000 2.145 159 Y HA -0.278 4.271 4.550 -0.001 0.000 0.286 159 Y C 1.898 177.796 175.900 -0.003 0.000 1.145 159 Y CA 2.022 59.932 58.100 -0.317 0.000 1.148 159 Y CB -0.552 37.696 38.460 -0.353 0.000 0.981 159 Y HN 0.097 nan 8.280 nan 0.000 0.507 160 F N 1.142 121.151 119.950 0.099 0.000 2.065 160 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 160 F C 2.582 178.372 175.800 -0.016 0.000 1.112 160 F CA 2.468 60.490 58.000 0.036 0.000 1.212 160 F CB -0.395 38.657 39.000 0.086 0.000 0.975 160 F HN -0.005 nan 8.300 nan 0.000 0.476 161 K N -0.119 120.479 120.400 0.330 0.000 2.057 161 K HA -0.278 4.041 4.320 -0.001 0.000 0.207 161 K C 2.221 178.883 176.600 0.102 0.000 1.049 161 K CA 1.643 58.062 56.287 0.219 0.000 0.931 161 K CB -0.303 32.319 32.500 0.204 0.000 0.714 161 K HN 0.317 nan 8.250 nan 0.000 0.440 162 Q N 0.985 120.848 119.800 0.104 0.000 2.077 162 Q HA -0.177 4.162 4.340 -0.001 0.000 0.206 162 Q C 1.813 177.859 176.000 0.077 0.000 0.989 162 Q CA 2.216 58.101 55.803 0.137 0.000 0.853 162 Q CB -0.128 28.741 28.738 0.219 0.000 0.907 162 Q HN 0.422 nan 8.270 nan 0.000 0.418 163 I N -0.551 119.977 120.570 -0.070 0.000 2.193 163 I HA -0.248 3.921 4.170 -0.001 0.000 0.240 163 I C 2.870 178.896 176.117 -0.153 0.000 1.084 163 I CA 1.241 62.455 61.300 -0.143 0.000 1.365 163 I CB -0.671 37.129 38.000 -0.334 0.000 1.064 163 I HN 0.273 nan 8.210 nan 0.000 0.410 164 R N 0.784 121.166 120.500 -0.197 0.000 2.096 164 R HA -0.243 4.097 4.340 -0.001 0.000 0.240 164 R C 1.741 178.002 176.300 -0.065 0.000 1.139 164 R CA 2.379 58.384 56.100 -0.159 0.000 0.952 164 R CB -1.799 28.420 30.300 -0.134 0.000 0.854 164 R HN 0.374 nan 8.270 nan 0.000 0.436 165 D N -0.313 120.078 120.400 -0.014 0.000 2.310 165 D HA -0.059 4.580 4.640 -0.001 0.000 0.212 165 D C 0.829 177.128 176.300 -0.001 0.000 0.965 165 D CA 1.477 55.484 54.000 0.011 0.000 0.879 165 D CB -0.112 40.714 40.800 0.044 0.000 0.921 165 D HN 0.640 nan 8.370 nan 0.000 0.510 166 D N -1.021 119.370 120.400 -0.014 0.000 2.441 166 D HA 0.055 4.694 4.640 -0.001 0.000 0.210 166 D C -0.131 176.128 176.300 -0.068 0.000 1.102 166 D CA -0.095 53.893 54.000 -0.020 0.000 0.840 166 D CB 0.638 41.450 40.800 0.019 0.000 0.990 166 D HN -0.083 nan 8.370 nan 0.000 0.505 167 I N 1.705 122.213 120.570 -0.103 0.000 2.353 167 I HA 0.473 4.642 4.170 -0.001 0.000 0.293 167 I C -0.089 175.968 176.117 -0.099 0.000 0.992 167 I CA -0.755 60.461 61.300 -0.141 0.000 1.268 167 I CB 1.081 38.959 38.000 -0.203 0.000 1.387 167 I HN -0.091 nan 8.210 nan 0.000 0.478 168 A N 8.139 130.905 122.820 -0.089 0.000 2.536 168 A HA 0.592 4.912 4.320 -0.001 0.000 0.329 168 A C -0.108 177.439 177.584 -0.062 0.000 1.321 168 A CA -0.607 51.393 52.037 -0.063 0.000 0.804 168 A CB 0.458 19.429 19.000 -0.048 0.000 1.126 168 A HN 0.721 nan 8.150 nan 0.000 0.480 169 M N 1.795 121.359 119.600 -0.060 0.000 2.217 169 M HA 0.276 4.756 4.480 -0.001 0.000 0.354 169 M C 1.284 177.561 176.300 -0.038 0.000 1.225 169 M CA 0.006 55.275 55.300 -0.051 0.000 1.137 169 M CB 1.574 34.145 32.600 -0.050 0.000 1.576 169 M HN 0.730 nan 8.290 nan 0.000 0.461 170 A N 3.717 126.516 122.820 -0.035 0.000 2.147 170 A HA 0.088 4.407 4.320 -0.001 0.000 0.211 170 A C 0.530 178.099 177.584 -0.025 0.000 1.160 170 A CA 0.714 52.734 52.037 -0.029 0.000 0.781 170 A CB 0.238 19.220 19.000 -0.030 0.000 0.842 170 A HN 0.813 nan 8.150 nan 0.000 0.475 171 K N -0.427 119.958 120.400 -0.025 0.000 2.555 171 K HA 0.519 4.838 4.320 -0.001 0.000 0.279 171 K C -3.501 173.087 176.600 -0.020 0.000 0.986 171 K CA -1.773 54.501 56.287 -0.022 0.000 0.880 171 K CB 1.771 34.258 32.500 -0.022 0.000 1.474 171 K HN -0.125 nan 8.250 nan 0.000 0.433 172 P HA 0.215 nan 4.420 nan 0.000 0.275 172 P C -0.976 176.317 177.300 -0.013 0.000 1.228 172 P CA -0.264 62.828 63.100 -0.013 0.000 0.786 172 P CB 0.733 32.427 31.700 -0.010 0.000 0.927 173 M N 1.061 120.655 119.600 -0.010 0.000 2.550 173 M HA 0.386 4.865 4.480 -0.001 0.000 0.292 173 M C -0.195 176.103 176.300 -0.004 0.000 1.221 173 M CA -0.814 54.481 55.300 -0.008 0.000 0.873 173 M CB 3.331 35.927 32.600 -0.008 0.000 1.727 173 M HN 0.189 nan 8.290 nan 0.000 0.459 174 K N 1.870 122.269 120.400 -0.002 0.000 2.235 174 K HA 0.710 5.029 4.320 -0.001 0.000 0.266 174 K C -1.853 174.747 176.600 0.000 0.000 0.980 174 K CA -0.471 55.815 56.287 -0.001 0.000 0.849 174 K CB 1.247 33.745 32.500 -0.003 0.000 1.098 174 K HN 0.530 nan 8.250 nan 0.000 0.445 175 V N 4.568 124.484 119.914 0.003 0.000 2.623 175 V HA 0.283 4.402 4.120 -0.001 0.000 0.304 175 V C -0.632 175.465 176.094 0.004 0.000 1.054 175 V CA -1.100 61.202 62.300 0.004 0.000 0.882 175 V CB 1.819 33.650 31.823 0.012 0.000 1.002 175 V HN 0.519 nan 8.190 nan 0.000 0.424 176 V N 5.142 125.052 119.914 -0.007 0.000 2.498 176 V HA 0.431 4.550 4.120 -0.001 0.000 0.279 176 V C -0.052 176.041 176.094 -0.002 0.000 1.048 176 V CA -0.336 61.957 62.300 -0.012 0.000 0.967 176 V CB 1.590 33.397 31.823 -0.026 0.000 0.988 176 V HN 0.613 nan 8.190 nan 0.000 0.473 177 V N 4.026 123.954 119.914 0.023 0.000 2.407 177 V HA 0.374 4.493 4.120 -0.001 0.000 0.291 177 V C -0.486 175.657 176.094 0.081 0.000 1.018 177 V CA -0.543 61.804 62.300 0.079 0.000 0.842 177 V CB 1.776 33.694 31.823 0.159 0.000 0.996 177 V HN 0.904 nan 8.190 nan 0.000 0.426 178 D N 3.502 123.955 120.400 0.088 0.000 2.392 178 D HA 0.257 4.897 4.640 -0.001 0.000 0.228 178 D C 0.555 177.004 176.300 0.249 0.000 1.074 178 D CA -0.250 53.837 54.000 0.144 0.000 0.838 178 D CB 1.746 42.646 40.800 0.167 0.000 1.067 178 D HN 0.546 nan 8.370 nan 0.000 0.511 179 C N 2.234 121.693 119.300 0.264 0.000 2.673 179 C HA 0.309 4.768 4.460 -0.001 0.000 0.264 179 C C 1.768 176.897 174.990 0.231 0.000 1.304 179 C CA 0.252 59.438 59.018 0.281 0.000 1.727 179 C CB -0.909 26.951 27.740 0.199 0.000 1.932 179 C HN 0.902 nan 8.230 nan 0.000 0.563 180 G N 2.314 111.258 108.800 0.239 0.000 2.203 180 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.263 180 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.263 180 G C 0.244 175.179 174.900 0.059 0.000 1.012 180 G CA 0.572 45.729 45.100 0.095 0.000 0.749 180 G HN 0.574 nan 8.290 nan 0.000 0.512 181 N N -1.849 116.945 118.700 0.157 0.000 2.741 181 N HA -0.177 4.562 4.740 -0.001 0.000 0.251 181 N C 1.169 176.862 175.510 0.305 0.000 1.112 181 N CA 1.787 54.964 53.050 0.212 0.000 0.750 181 N CB -1.263 37.352 38.487 0.214 0.000 1.119 181 N HN 1.554 nan 8.380 nan 0.000 0.561 182 G N -0.466 108.478 108.800 0.240 0.000 2.532 182 G HA2 0.416 4.375 3.960 -0.001 0.000 0.291 182 G HA3 0.416 4.375 3.960 -0.001 0.000 0.291 182 G C 0.984 175.969 174.900 0.141 0.000 1.349 182 G CA 0.135 45.384 45.100 0.247 0.000 1.038 182 G HN 0.102 nan 8.290 nan 0.000 0.518 183 V N 0.398 120.369 119.914 0.094 0.000 3.217 183 V HA 0.104 4.224 4.120 -0.001 0.000 0.264 183 V C 2.775 178.858 176.094 -0.017 0.000 1.135 183 V CA 1.844 64.162 62.300 0.030 0.000 1.142 183 V CB -0.548 31.277 31.823 0.005 0.000 0.754 183 V HN 0.794 nan 8.190 nan 0.000 0.484 184 A N 0.188 122.989 122.820 -0.032 0.000 2.076 184 A HA -0.062 4.257 4.320 -0.001 0.000 0.220 184 A C 2.230 179.753 177.584 -0.102 0.000 1.160 184 A CA 1.552 53.498 52.037 -0.151 0.000 0.653 184 A CB -0.956 17.867 19.000 -0.295 0.000 0.801 184 A HN 0.643 nan 8.150 nan 0.000 0.455 185 G N -0.247 108.547 108.800 -0.009 0.000 2.559 185 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.216 185 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.216 185 G C 1.365 176.273 174.900 0.013 0.000 1.126 185 G CA 1.160 46.272 45.100 0.019 0.000 0.778 185 G HN 1.004 nan 8.290 nan 0.000 0.543 186 V N -2.319 117.594 119.914 -0.002 0.000 3.141 186 V HA 0.307 4.426 4.120 -0.001 0.000 0.265 186 V C 1.777 177.890 176.094 0.032 0.000 1.126 186 V CA 1.661 63.965 62.300 0.006 0.000 1.141 186 V CB -0.059 31.758 31.823 -0.011 0.000 0.743 186 V HN 0.356 nan 8.190 nan 0.000 0.492 187 I N -1.923 118.667 120.570 0.033 0.000 5.119 187 I HA 0.393 4.563 4.170 -0.001 0.000 0.327 187 I C 2.201 178.365 176.117 0.079 0.000 1.185 187 I CA 0.856 62.224 61.300 0.113 0.000 1.452 187 I CB -0.025 38.065 38.000 0.151 0.000 1.617 187 I HN 0.070 nan 8.210 nan 0.000 0.531 188 A N 2.359 125.148 122.820 -0.052 0.000 1.865 188 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 188 A C -0.431 177.169 177.584 0.026 0.000 1.191 188 A CA 2.209 54.185 52.037 -0.103 0.000 0.623 188 A CB -2.070 16.684 19.000 -0.409 0.000 0.826 188 A HN 0.369 nan 8.150 nan 0.000 0.444 189 P HA -0.147 nan 4.420 nan 0.000 0.216 189 P C 1.285 178.638 177.300 0.089 0.000 1.150 189 P CA 1.544 64.690 63.100 0.078 0.000 0.837 189 P CB -0.082 31.659 31.700 0.068 0.000 0.786 190 Q N -0.992 118.885 119.800 0.128 0.000 2.046 190 Q HA -0.108 4.231 4.340 -0.001 0.000 0.200 190 Q C 2.098 178.268 176.000 0.283 0.000 0.975 190 Q CA 1.025 56.955 55.803 0.211 0.000 0.836 190 Q CB -1.264 27.626 28.738 0.253 0.000 0.896 190 Q HN 0.130 nan 8.270 nan 0.000 0.428 191 L N 0.342 121.682 121.223 0.195 0.000 2.046 191 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 191 L C 1.858 178.644 176.870 -0.141 0.000 1.077 191 L CA 1.669 56.379 54.840 -0.216 0.000 0.747 191 L CB -0.391 41.460 42.059 -0.346 0.000 0.896 191 L HN 0.260 nan 8.230 nan 0.000 0.432 192 I N -0.618 119.928 120.570 -0.039 0.000 2.315 192 I HA -0.255 3.914 4.170 -0.001 0.000 0.248 192 I C 2.553 178.667 176.117 -0.006 0.000 1.117 192 I CA 1.414 62.700 61.300 -0.023 0.000 1.404 192 I CB -0.408 37.609 38.000 0.029 0.000 1.071 192 I HN 0.438 nan 8.210 nan 0.000 0.419 193 E N 1.408 121.626 120.200 0.030 0.000 2.077 193 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 193 E C 2.246 178.870 176.600 0.040 0.000 0.989 193 E CA 1.475 57.899 56.400 0.040 0.000 0.800 193 E CB 0.009 29.746 29.700 0.062 0.000 0.746 193 E HN 0.494 nan 8.360 nan 0.000 0.452 194 A N 0.963 123.819 122.820 0.060 0.000 2.015 194 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 194 A C 2.169 179.749 177.584 -0.006 0.000 1.163 194 A CA 0.701 52.781 52.037 0.072 0.000 0.646 194 A CB -0.465 18.644 19.000 0.181 0.000 0.806 194 A HN 0.285 nan 8.150 nan 0.000 0.448 195 L N -1.521 119.668 121.223 -0.057 0.000 2.362 195 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 195 L C 1.578 178.425 176.870 -0.039 0.000 1.134 195 L CA 0.782 55.580 54.840 -0.071 0.000 0.807 195 L CB -0.330 41.670 42.059 -0.099 0.000 0.927 195 L HN 0.602 nan 8.230 nan 0.000 0.447 196 G N -1.177 107.613 108.800 -0.018 0.000 2.186 196 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.130 196 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.130 196 G C -0.168 174.727 174.900 -0.008 0.000 1.031 196 G CA -0.417 44.677 45.100 -0.010 0.000 0.697 196 G HN 0.223 nan 8.290 nan 0.000 0.494 197 C N 0.778 120.076 119.300 -0.004 0.000 2.486 197 C HA 0.929 5.389 4.460 -0.001 0.000 0.348 197 C C 0.982 175.977 174.990 0.008 0.000 1.203 197 C CA 0.006 59.024 59.018 -0.000 0.000 1.911 197 C CB 1.556 29.296 27.740 0.000 0.000 2.340 197 C HN 1.076 nan 8.230 nan 0.000 0.511 198 S N 0.507 116.211 115.700 0.007 0.000 2.508 198 S HA 0.741 5.211 4.470 -0.001 0.000 0.284 198 S C -0.981 173.627 174.600 0.012 0.000 1.192 198 S CA -0.475 57.731 58.200 0.010 0.000 1.070 198 S CB 0.911 64.114 63.200 0.006 0.000 1.004 198 S HN 0.539 nan 8.310 nan 0.000 0.493 199 V N 3.758 123.682 119.914 0.017 0.000 2.448 199 V HA 0.424 4.543 4.120 -0.001 0.000 0.295 199 V C -0.388 175.713 176.094 0.011 0.000 1.025 199 V CA -0.724 61.588 62.300 0.021 0.000 0.859 199 V CB 1.291 33.136 31.823 0.037 0.000 0.988 199 V HN 0.916 nan 8.190 nan 0.000 0.431 200 I N 8.241 128.813 120.570 0.002 0.000 2.291 200 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 200 I C -2.111 173.994 176.117 -0.020 0.000 1.050 200 I CA -1.670 59.622 61.300 -0.013 0.000 1.245 200 I CB 1.612 39.599 38.000 -0.022 0.000 1.405 200 I HN 0.442 nan 8.210 nan 0.000 0.478 201 P HA 0.281 nan 4.420 nan 0.000 0.279 201 P C -0.926 176.310 177.300 -0.106 0.000 1.239 201 P CA -0.302 62.780 63.100 -0.029 0.000 0.789 201 P CB 1.487 33.181 31.700 -0.010 0.000 0.933 202 L N 4.489 125.628 121.223 -0.140 0.000 2.404 202 L HA 0.328 4.667 4.340 -0.001 0.000 0.272 202 L C -0.192 176.501 176.870 -0.295 0.000 0.980 202 L CA -0.829 53.770 54.840 -0.402 0.000 0.836 202 L CB 0.935 42.748 42.059 -0.410 0.000 1.238 202 L HN 0.472 nan 8.230 nan 0.000 0.408 203 Y N 1.473 121.773 120.300 -0.001 0.000 3.168 203 Y HA -0.311 4.238 4.550 -0.001 0.000 0.207 203 Y C 1.214 177.127 175.900 0.021 0.000 1.280 203 Y CA -0.255 57.834 58.100 -0.018 0.000 1.235 203 Y CB -1.999 36.400 38.460 -0.102 0.000 1.370 203 Y HN 0.591 nan 8.280 nan 0.000 0.537 204 C N -0.102 119.267 119.300 0.115 0.000 2.791 204 C HA 0.285 4.744 4.460 -0.001 0.000 0.270 204 C C 1.606 176.645 174.990 0.081 0.000 1.257 204 C CA 0.596 59.672 59.018 0.097 0.000 1.699 204 C CB -1.123 26.658 27.740 0.068 0.000 1.904 204 C HN 0.623 nan 8.230 nan 0.000 0.603 205 E N 0.855 121.107 120.200 0.086 0.000 2.290 205 E HA 0.428 4.777 4.350 -0.001 0.000 0.277 205 E C -0.194 176.451 176.600 0.075 0.000 1.035 205 E CA -0.069 56.370 56.400 0.066 0.000 0.873 205 E CB 0.402 30.137 29.700 0.058 0.000 1.029 205 E HN 0.333 nan 8.360 nan 0.000 0.419 206 V N 3.591 123.538 119.914 0.056 0.000 2.485 206 V HA 0.283 4.403 4.120 -0.001 0.000 0.287 206 V C -0.118 175.994 176.094 0.031 0.000 1.022 206 V CA 0.387 62.720 62.300 0.056 0.000 1.067 206 V CB 0.681 32.523 31.823 0.032 0.000 0.967 206 V HN 0.886 nan 8.190 nan 0.000 0.479 207 D N 3.723 124.143 120.400 0.033 0.000 2.470 207 D HA 0.309 4.948 4.640 -0.001 0.000 0.233 207 D C 0.860 177.049 176.300 -0.186 0.000 1.372 207 D CA 0.011 53.987 54.000 -0.040 0.000 0.994 207 D CB 1.450 42.246 40.800 -0.006 0.000 1.377 207 D HN 0.462 nan 8.370 nan 0.000 0.586 208 G N 2.680 111.293 108.800 -0.313 0.000 2.625 208 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.214 208 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.214 208 G C 1.109 175.517 174.900 -0.819 0.000 1.132 208 G CA 0.061 44.759 45.100 -0.671 0.000 0.782 208 G HN 0.495 nan 8.290 nan 0.000 0.538 209 N N 0.633 119.068 118.700 -0.442 0.000 2.459 209 N HA -0.055 4.684 4.740 -0.001 0.000 0.181 209 N C 0.009 175.421 175.510 -0.164 0.000 1.046 209 N CA 0.299 53.186 53.050 -0.271 0.000 0.904 209 N CB -0.096 38.318 38.487 -0.123 0.000 0.964 209 N HN 0.214 nan 8.380 nan 0.000 0.444 210 F N 0.004 119.934 119.950 -0.034 0.000 2.866 210 F HA -0.134 4.392 4.527 -0.001 0.000 0.254 210 F C -1.345 174.404 175.800 -0.086 0.000 1.009 210 F CA -0.479 57.487 58.000 -0.057 0.000 0.907 210 F CB -1.926 37.055 39.000 -0.032 0.000 0.859 210 F HN 0.190 nan 8.300 nan 0.000 0.842 211 P HA -0.028 nan 4.420 nan 0.000 0.237 211 P C 0.700 177.945 177.300 -0.092 0.000 1.178 211 P CA 1.288 64.377 63.100 -0.018 0.000 0.766 211 P CB 0.334 32.019 31.700 -0.026 0.000 0.876 212 N N -0.753 117.815 118.700 -0.219 0.000 2.638 212 N HA 0.039 4.778 4.740 -0.001 0.000 0.220 212 N C 0.124 175.442 175.510 -0.320 0.000 1.031 212 N CA 0.315 53.105 53.050 -0.434 0.000 1.062 212 N CB -0.031 37.810 38.487 -1.077 0.000 1.406 212 N HN 0.287 nan 8.380 nan 0.000 0.495 213 H N -2.626 116.276 119.070 -0.279 0.000 3.012 213 H HA 0.468 5.023 4.556 -0.001 0.000 0.367 213 H C -0.603 174.632 175.328 -0.155 0.000 1.211 213 H CA -0.860 55.092 56.048 -0.161 0.000 1.139 213 H CB -0.429 29.254 29.762 -0.132 0.000 1.838 213 H HN 0.203 nan 8.280 nan 0.000 0.550 214 H N 0.667 119.800 119.070 0.105 0.000 2.897 214 H HA 0.290 4.846 4.556 -0.001 0.000 0.347 214 H C -2.316 172.990 175.328 -0.038 0.000 1.068 214 H CA -1.487 54.508 56.048 -0.088 0.000 1.426 214 H CB -0.202 29.502 29.762 -0.096 0.000 1.410 214 H HN 0.781 nan 8.280 nan 0.000 0.597 215 P HA 0.183 nan 4.420 nan 0.000 0.237 215 P C -1.064 176.184 177.300 -0.086 0.000 1.788 215 P CA 0.185 63.207 63.100 -0.131 0.000 1.061 215 P CB -0.129 31.412 31.700 -0.265 0.000 1.967 216 D N 3.430 123.787 120.400 -0.073 0.000 2.405 216 D HA 0.161 4.800 4.640 -0.001 0.000 0.264 216 D C -1.750 174.481 176.300 -0.114 0.000 1.240 216 D CA -2.156 51.807 54.000 -0.062 0.000 0.893 216 D CB 1.177 41.978 40.800 0.002 0.000 1.198 216 D HN 0.067 nan 8.370 nan 0.000 0.514 217 P HA 0.074 nan 4.420 nan 0.000 0.239 217 P C 1.262 178.488 177.300 -0.125 0.000 1.184 217 P CA 0.238 63.250 63.100 -0.146 0.000 0.760 217 P CB 0.267 31.875 31.700 -0.154 0.000 0.884 218 G N -0.394 108.347 108.800 -0.099 0.000 2.650 218 G HA2 0.027 3.987 3.960 -0.001 0.000 0.214 218 G HA3 0.027 3.987 3.960 -0.001 0.000 0.214 218 G C 0.786 175.685 174.900 -0.003 0.000 1.136 218 G CA 0.193 45.268 45.100 -0.041 0.000 0.789 218 G HN 0.509 nan 8.290 nan 0.000 0.536 219 K N 0.906 121.283 120.400 -0.039 0.000 2.213 219 K HA 0.628 4.947 4.320 -0.001 0.000 0.270 219 K C -1.727 174.842 176.600 -0.052 0.000 1.002 219 K CA -1.749 54.523 56.287 -0.026 0.000 0.868 219 K CB 1.314 33.793 32.500 -0.035 0.000 1.093 219 K HN -0.047 nan 8.250 nan 0.000 0.454 220 P HA -0.211 nan 4.420 nan 0.000 0.218 220 P C 0.715 177.976 177.300 -0.064 0.000 1.149 220 P CA 1.377 64.453 63.100 -0.040 0.000 0.817 220 P CB 0.251 31.956 31.700 0.007 0.000 0.785 221 E N -0.035 120.132 120.200 -0.054 0.000 2.130 221 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 221 E C 1.179 177.710 176.600 -0.116 0.000 0.998 221 E CA 1.102 57.467 56.400 -0.058 0.000 0.806 221 E CB -1.082 28.595 29.700 -0.038 0.000 0.738 221 E HN 0.258 nan 8.360 nan 0.000 0.459 222 N N 0.245 118.823 118.700 -0.203 0.000 2.461 222 N HA 0.071 4.810 4.740 -0.001 0.000 0.188 222 N C 0.922 176.168 175.510 -0.440 0.000 1.134 222 N CA 0.520 53.288 53.050 -0.470 0.000 0.878 222 N CB 0.417 38.608 38.487 -0.495 0.000 0.972 222 N HN 0.292 nan 8.380 nan 0.000 0.456 223 L N -0.244 120.854 121.223 -0.208 0.000 2.766 223 L HA 0.166 4.505 4.340 -0.001 0.000 0.242 223 L C 2.302 179.139 176.870 -0.056 0.000 1.136 223 L CA 0.048 54.811 54.840 -0.129 0.000 0.933 223 L CB -0.007 41.969 42.059 -0.139 0.000 1.241 223 L HN 0.002 nan 8.230 nan 0.000 0.522 224 K N 0.165 120.544 120.400 -0.034 0.000 2.057 224 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 224 K C 1.549 178.173 176.600 0.041 0.000 1.049 224 K CA 2.057 58.346 56.287 0.003 0.000 0.931 224 K CB -0.641 31.867 32.500 0.013 0.000 0.714 224 K HN 0.200 nan 8.250 nan 0.000 0.440 225 D N 0.127 120.589 120.400 0.104 0.000 2.144 225 D HA -0.095 4.544 4.640 -0.001 0.000 0.199 225 D C 1.895 178.239 176.300 0.073 0.000 0.984 225 D CA 1.229 55.311 54.000 0.138 0.000 0.834 225 D CB -0.240 40.746 40.800 0.311 0.000 0.955 225 D HN 0.278 nan 8.370 nan 0.000 0.465 226 L N 0.721 121.982 121.223 0.064 0.000 2.017 226 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 226 L C 2.110 178.971 176.870 -0.015 0.000 1.073 226 L CA 1.369 56.215 54.840 0.011 0.000 0.745 226 L CB -0.512 41.542 42.059 -0.008 0.000 0.894 226 L HN -0.031 nan 8.230 nan 0.000 0.432 227 I N -0.315 120.242 120.570 -0.021 0.000 2.226 227 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 227 I C 2.574 178.683 176.117 -0.014 0.000 1.100 227 I CA 1.300 62.583 61.300 -0.028 0.000 1.374 227 I CB -0.619 37.361 38.000 -0.034 0.000 1.057 227 I HN 0.373 nan 8.210 nan 0.000 0.413 228 A N 0.352 123.171 122.820 -0.002 0.000 1.930 228 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 228 A C 2.264 179.846 177.584 -0.003 0.000 1.175 228 A CA 1.886 53.924 52.037 0.002 0.000 0.627 228 A CB -0.393 18.615 19.000 0.014 0.000 0.815 228 A HN 0.250 nan 8.150 nan 0.000 0.443 229 K N -0.237 120.158 120.400 -0.009 0.000 2.103 229 K HA 0.012 4.331 4.320 -0.001 0.000 0.204 229 K C 1.676 178.265 176.600 -0.018 0.000 1.052 229 K CA 1.460 57.736 56.287 -0.019 0.000 0.945 229 K CB -0.620 31.858 32.500 -0.036 0.000 0.722 229 K HN 0.148 nan 8.250 nan 0.000 0.443 230 V N 1.184 121.087 119.914 -0.019 0.000 2.287 230 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 230 V C 2.695 178.782 176.094 -0.011 0.000 1.053 230 V CA 2.649 64.939 62.300 -0.017 0.000 1.027 230 V CB -0.874 30.936 31.823 -0.022 0.000 0.646 230 V HN 0.607 nan 8.190 nan 0.000 0.447 231 K N -0.183 120.211 120.400 -0.009 0.000 2.025 231 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 231 K C 2.236 178.834 176.600 -0.004 0.000 1.049 231 K CA 1.743 58.027 56.287 -0.005 0.000 0.933 231 K CB -1.244 31.254 32.500 -0.004 0.000 0.714 231 K HN 0.594 nan 8.250 nan 0.000 0.438 232 A N 1.322 124.139 122.820 -0.005 0.000 1.933 232 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 232 A C 1.929 179.510 177.584 -0.006 0.000 1.175 232 A CA 1.568 53.602 52.037 -0.005 0.000 0.628 232 A CB -0.058 18.939 19.000 -0.005 0.000 0.814 232 A HN 0.530 nan 8.150 nan 0.000 0.444 233 E N 0.015 120.210 120.200 -0.009 0.000 2.479 233 E HA 0.022 4.371 4.350 -0.001 0.000 0.193 233 E C -0.390 176.205 176.600 -0.007 0.000 1.049 233 E CA -0.166 56.228 56.400 -0.009 0.000 0.870 233 E CB -0.169 29.523 29.700 -0.012 0.000 0.944 233 E HN 0.526 nan 8.360 nan 0.000 0.492 234 N N 0.843 119.540 118.700 -0.005 0.000 2.727 234 N HA -0.193 4.547 4.740 -0.001 0.000 0.249 234 N C -0.274 175.233 175.510 -0.004 0.000 1.048 234 N CA 0.957 54.005 53.050 -0.004 0.000 0.714 234 N CB -1.404 37.080 38.487 -0.004 0.000 0.959 234 N HN 0.228 nan 8.380 nan 0.000 0.544 235 A N -0.199 122.618 122.820 -0.005 0.000 2.332 235 A HA 0.262 4.582 4.320 -0.001 0.000 0.258 235 A C 1.171 178.755 177.584 -0.001 0.000 1.087 235 A CA -0.152 51.882 52.037 -0.005 0.000 0.802 235 A CB 0.482 19.477 19.000 -0.008 0.000 1.042 235 A HN 0.188 nan 8.150 nan 0.000 0.489 236 D N -0.793 119.608 120.400 0.001 0.000 2.317 236 D HA 0.178 4.818 4.640 -0.001 0.000 0.211 236 D C -0.149 176.159 176.300 0.014 0.000 0.966 236 D CA 1.123 55.127 54.000 0.007 0.000 0.876 236 D CB 0.106 40.908 40.800 0.004 0.000 0.927 236 D HN 0.280 nan 8.370 nan 0.000 0.519 237 L N -1.038 120.188 121.223 0.005 0.000 2.724 237 L HA 0.513 4.853 4.340 -0.001 0.000 0.258 237 L C -1.312 175.545 176.870 -0.021 0.000 0.967 237 L CA -0.557 54.283 54.840 0.001 0.000 0.891 237 L CB 2.093 44.160 42.059 0.013 0.000 1.456 237 L HN -0.104 nan 8.230 nan 0.000 0.416 238 G N 2.956 111.729 108.800 -0.045 0.000 2.495 238 G HA2 0.715 4.674 3.960 -0.001 0.000 0.318 238 G HA3 0.715 4.674 3.960 -0.001 0.000 0.318 238 G C -1.922 172.911 174.900 -0.112 0.000 1.257 238 G CA -0.522 44.538 45.100 -0.066 0.000 0.962 238 G HN 0.576 nan 8.290 nan 0.000 0.483 239 L N 1.054 122.195 121.223 -0.137 0.000 2.386 239 L HA 0.781 5.120 4.340 -0.001 0.000 0.271 239 L C 0.045 176.711 176.870 -0.340 0.000 0.993 239 L CA -0.996 53.679 54.840 -0.276 0.000 0.819 239 L CB 2.416 44.305 42.059 -0.284 0.000 1.294 239 L HN 0.669 nan 8.230 nan 0.000 0.414 240 A N 2.644 125.189 122.820 -0.459 0.000 2.371 240 A HA 0.871 5.190 4.320 -0.001 0.000 0.311 240 A C -1.381 175.892 177.584 -0.519 0.000 1.068 240 A CA -0.319 51.517 52.037 -0.335 0.000 0.744 240 A CB 0.931 19.829 19.000 -0.171 0.000 1.239 240 A HN 0.456 nan 8.150 nan 0.000 0.435 241 F N 1.565 121.525 119.950 0.017 0.000 2.492 241 F HA 0.418 4.944 4.527 -0.001 0.000 0.327 241 F C 0.786 176.579 175.800 -0.012 0.000 1.079 241 F CA -0.574 57.426 58.000 0.001 0.000 0.967 241 F CB 1.555 40.568 39.000 0.022 0.000 1.169 241 F HN 0.738 nan 8.300 nan 0.000 0.472 242 D N 0.700 121.185 120.400 0.142 0.000 2.433 242 D HA 0.140 4.779 4.640 -0.001 0.000 0.255 242 D C 1.383 177.725 176.300 0.070 0.000 1.226 242 D CA -0.193 53.838 54.000 0.052 0.000 1.015 242 D CB 0.528 41.321 40.800 -0.012 0.000 1.091 242 D HN 0.609 nan 8.370 nan 0.000 0.527 243 G N -0.306 108.503 108.800 0.014 0.000 2.442 243 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.219 243 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.219 243 G C 0.903 175.847 174.900 0.074 0.000 1.141 243 G CA 1.336 46.446 45.100 0.016 0.000 0.763 243 G HN 0.741 nan 8.290 nan 0.000 0.554 244 D N -1.400 119.036 120.400 0.061 0.000 2.398 244 D HA 0.215 4.854 4.640 -0.001 0.000 0.210 244 D C 1.567 177.869 176.300 0.004 0.000 1.094 244 D CA 0.593 54.609 54.000 0.026 0.000 0.839 244 D CB -0.354 40.455 40.800 0.015 0.000 0.963 244 D HN 0.530 nan 8.370 nan 0.000 0.506 245 G N 2.245 111.072 108.800 0.044 0.000 2.143 245 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.249 245 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.249 245 G C 0.451 175.414 174.900 0.104 0.000 0.981 245 G CA 0.504 45.633 45.100 0.048 0.000 0.665 245 G HN 0.513 nan 8.290 nan 0.000 0.528 246 D N -0.873 119.585 120.400 0.096 0.000 2.339 246 D HA 0.482 5.121 4.640 -0.001 0.000 0.217 246 D C 1.130 177.406 176.300 -0.040 0.000 1.050 246 D CA 1.108 55.189 54.000 0.135 0.000 0.856 246 D CB -0.161 40.788 40.800 0.250 0.000 0.922 246 D HN 1.072 nan 8.370 nan 0.000 0.518 247 R N 0.065 120.508 120.500 -0.095 0.000 2.686 247 R HA 0.796 5.135 4.340 -0.001 0.000 0.286 247 R C -1.280 175.012 176.300 -0.014 0.000 0.969 247 R CA -0.736 55.230 56.100 -0.224 0.000 0.898 247 R CB 1.705 31.765 30.300 -0.400 0.000 1.183 247 R HN 0.152 nan 8.270 nan 0.000 0.456 248 V N 0.823 120.702 119.914 -0.059 0.000 2.876 248 V HA 0.953 5.073 4.120 -0.001 0.000 0.312 248 V C -0.046 175.935 176.094 -0.188 0.000 1.085 248 V CA -0.159 62.050 62.300 -0.152 0.000 0.945 248 V CB 2.262 34.035 31.823 -0.083 0.000 1.017 248 V HN 1.356 nan 8.190 nan 0.000 0.428 249 G N 3.902 112.537 108.800 -0.275 0.000 2.482 249 G HA2 0.662 4.622 3.960 -0.001 0.000 0.317 249 G HA3 0.662 4.622 3.960 -0.001 0.000 0.317 249 G C -1.647 173.085 174.900 -0.280 0.000 1.241 249 G CA -0.556 44.392 45.100 -0.253 0.000 0.967 249 G HN 0.863 nan 8.290 nan 0.000 0.482 250 V N 1.312 121.055 119.914 -0.285 0.000 2.604 250 V HA 0.714 4.833 4.120 -0.001 0.000 0.305 250 V C 0.030 175.953 176.094 -0.284 0.000 1.043 250 V CA -0.762 61.376 62.300 -0.270 0.000 0.888 250 V CB 1.566 33.214 31.823 -0.291 0.000 0.995 250 V HN 0.984 nan 8.190 nan 0.000 0.429 251 V N 1.266 121.057 119.914 -0.206 0.000 2.823 251 V HA 0.872 4.991 4.120 -0.001 0.000 0.312 251 V C 0.136 176.169 176.094 -0.102 0.000 1.072 251 V CA -0.257 61.939 62.300 -0.173 0.000 0.937 251 V CB 1.847 33.586 31.823 -0.140 0.000 1.013 251 V HN 0.974 nan 8.190 nan 0.000 0.430 252 T N 0.856 115.367 114.554 -0.073 0.000 2.788 252 T HA 0.213 4.563 4.350 -0.001 0.000 0.280 252 T C 1.270 175.974 174.700 0.006 0.000 0.984 252 T CA 0.214 62.318 62.100 0.005 0.000 0.972 252 T CB 0.511 69.407 68.868 0.046 0.000 1.039 252 T HN 1.033 nan 8.240 nan 0.000 0.530 253 N N 0.241 118.960 118.700 0.032 0.000 2.443 253 N HA -0.143 4.596 4.740 -0.001 0.000 0.184 253 N C 1.420 176.941 175.510 0.018 0.000 1.037 253 N CA 1.653 54.717 53.050 0.022 0.000 0.896 253 N CB -0.963 37.542 38.487 0.031 0.000 0.959 253 N HN 0.843 nan 8.380 nan 0.000 0.442 254 T N -5.319 109.249 114.554 0.023 0.000 3.086 254 T HA 0.451 4.800 4.350 -0.001 0.000 0.250 254 T C 1.293 175.991 174.700 -0.003 0.000 1.074 254 T CA 0.320 62.430 62.100 0.016 0.000 0.988 254 T CB 0.068 68.954 68.868 0.030 0.000 0.988 254 T HN 0.379 nan 8.240 nan 0.000 0.530 255 G N 1.066 109.856 108.800 -0.017 0.000 2.176 255 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.232 255 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.232 255 G C 0.147 175.012 174.900 -0.057 0.000 0.986 255 G CA -0.077 45.001 45.100 -0.036 0.000 0.643 255 G HN 0.668 nan 8.290 nan 0.000 0.522 256 T N 1.739 116.260 114.554 -0.056 0.000 2.853 256 T HA 0.419 4.769 4.350 -0.001 0.000 0.298 256 T C 1.073 175.678 174.700 -0.158 0.000 0.978 256 T CA 0.167 62.219 62.100 -0.081 0.000 1.152 256 T CB 0.902 69.738 68.868 -0.054 0.000 0.914 256 T HN 0.326 nan 8.240 nan 0.000 0.539 257 I N 4.420 124.865 120.570 -0.208 0.000 2.517 257 I HA 0.095 4.264 4.170 -0.001 0.000 0.285 257 I C 0.253 176.086 176.117 -0.474 0.000 1.106 257 I CA -0.244 60.826 61.300 -0.384 0.000 1.402 257 I CB 0.376 38.082 38.000 -0.490 0.000 1.399 257 I HN 0.367 nan 8.210 nan 0.000 0.535 258 I N 8.137 128.392 120.570 -0.525 0.000 2.291 258 I HA 0.187 4.356 4.170 -0.001 0.000 0.290 258 I C 0.038 175.848 176.117 -0.511 0.000 1.050 258 I CA -0.490 60.480 61.300 -0.549 0.000 1.245 258 I CB -0.071 37.417 38.000 -0.852 0.000 1.405 258 I HN 0.378 nan 8.210 nan 0.000 0.478 259 Y N 7.952 128.129 120.300 -0.204 0.000 2.397 259 Y HA 0.089 4.638 4.550 -0.001 0.000 0.335 259 Y C -1.023 174.793 175.900 -0.140 0.000 1.213 259 Y CA -0.908 57.108 58.100 -0.140 0.000 1.391 259 Y CB 0.115 38.524 38.460 -0.085 0.000 1.293 259 Y HN 0.450 nan 8.280 nan 0.000 0.557 260 P HA -0.205 nan 4.420 nan 0.000 0.217 260 P C 0.820 178.142 177.300 0.036 0.000 1.148 260 P CA 1.946 65.064 63.100 0.030 0.000 0.828 260 P CB 0.144 31.890 31.700 0.076 0.000 0.783 261 D N -0.733 119.700 120.400 0.055 0.000 2.178 261 D HA -0.183 4.457 4.640 -0.001 0.000 0.202 261 D C 1.959 178.231 176.300 -0.047 0.000 0.974 261 D CA 1.163 55.170 54.000 0.012 0.000 0.841 261 D CB -0.926 39.882 40.800 0.012 0.000 0.953 261 D HN 0.151 nan 8.370 nan 0.000 0.478 262 R N -0.092 120.381 120.500 -0.044 0.000 2.093 262 R HA 0.102 4.441 4.340 -0.001 0.000 0.224 262 R C 2.537 178.768 176.300 -0.115 0.000 1.101 262 R CA 0.215 56.262 56.100 -0.088 0.000 0.979 262 R CB -0.296 29.976 30.300 -0.048 0.000 0.877 262 R HN 0.168 nan 8.270 nan 0.000 0.441 263 L N 0.842 121.968 121.223 -0.162 0.000 2.013 263 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 263 L C 2.284 179.007 176.870 -0.244 0.000 1.073 263 L CA 1.450 56.166 54.840 -0.206 0.000 0.753 263 L CB -0.303 41.621 42.059 -0.225 0.000 0.890 263 L HN 0.389 nan 8.230 nan 0.000 0.432 264 L N -0.989 120.190 121.223 -0.074 0.000 2.127 264 L HA -0.293 4.046 4.340 -0.001 0.000 0.211 264 L C 2.609 179.448 176.870 -0.053 0.000 1.089 264 L CA 1.330 56.190 54.840 0.034 0.000 0.757 264 L CB -0.183 41.909 42.059 0.056 0.000 0.899 264 L HN 0.409 nan 8.230 nan 0.000 0.434 265 M N -1.177 118.302 119.600 -0.202 0.000 2.086 265 M HA -0.277 4.202 4.480 -0.001 0.000 0.261 265 M C 2.222 178.315 176.300 -0.344 0.000 1.067 265 M CA 1.622 56.710 55.300 -0.353 0.000 1.116 265 M CB -0.373 31.792 32.600 -0.726 0.000 1.348 265 M HN 0.201 nan 8.290 nan 0.000 0.407 266 L N -0.067 120.943 121.223 -0.356 0.000 2.046 266 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 266 L C 2.027 178.907 176.870 0.017 0.000 1.077 266 L CA 1.951 56.692 54.840 -0.165 0.000 0.747 266 L CB -0.604 41.322 42.059 -0.222 0.000 0.896 266 L HN 0.191 nan 8.230 nan 0.000 0.432 267 F N -1.102 118.866 119.950 0.029 0.000 2.186 267 F HA -0.171 4.355 4.527 -0.001 0.000 0.299 267 F C 2.425 178.234 175.800 0.015 0.000 1.090 267 F CA 0.370 58.412 58.000 0.069 0.000 1.307 267 F CB -0.419 38.616 39.000 0.059 0.000 1.019 267 F HN 0.220 nan 8.300 nan 0.000 0.489 268 A N 0.371 123.288 122.820 0.162 0.000 1.898 268 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 268 A C 2.144 179.741 177.584 0.021 0.000 1.181 268 A CA 1.725 53.813 52.037 0.086 0.000 0.620 268 A CB -0.694 18.350 19.000 0.073 0.000 0.819 268 A HN 0.316 nan 8.150 nan 0.000 0.442 269 K N -0.230 120.138 120.400 -0.054 0.000 2.032 269 K HA -0.276 4.043 4.320 -0.001 0.000 0.209 269 K C 1.779 178.253 176.600 -0.209 0.000 1.048 269 K CA 2.117 58.197 56.287 -0.344 0.000 0.927 269 K CB -0.305 32.000 32.500 -0.325 0.000 0.712 269 K HN 0.461 nan 8.250 nan 0.000 0.441 270 D N -0.284 120.098 120.400 -0.029 0.000 2.084 270 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 270 D C 1.821 178.140 176.300 0.031 0.000 0.990 270 D CA 1.525 55.540 54.000 0.025 0.000 0.826 270 D CB 0.093 40.977 40.800 0.141 0.000 0.971 270 D HN 0.075 nan 8.370 nan 0.000 0.453 271 V N -0.172 119.787 119.914 0.076 0.000 2.307 271 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 271 V C 2.594 178.708 176.094 0.034 0.000 1.045 271 V CA 1.234 63.580 62.300 0.076 0.000 1.024 271 V CB -0.296 31.590 31.823 0.104 0.000 0.651 271 V HN 0.169 nan 8.190 nan 0.000 0.449 272 V N 1.125 121.048 119.914 0.015 0.000 2.407 272 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 272 V C 2.744 178.836 176.094 -0.002 0.000 1.055 272 V CA 2.100 64.410 62.300 0.018 0.000 1.049 272 V CB -0.850 31.002 31.823 0.048 0.000 0.662 272 V HN 0.777 nan 8.190 nan 0.000 0.455 273 S N 0.820 116.491 115.700 -0.050 0.000 2.400 273 S HA -0.246 4.223 4.470 -0.001 0.000 0.232 273 S C 1.953 176.547 174.600 -0.010 0.000 1.025 273 S CA 1.536 59.710 58.200 -0.043 0.000 0.993 273 S CB -0.421 62.731 63.200 -0.080 0.000 0.808 273 S HN 0.655 nan 8.310 nan 0.000 0.478 274 R N 1.073 121.572 120.500 -0.002 0.000 2.312 274 R HA 0.299 4.638 4.340 -0.001 0.000 0.205 274 R C -0.228 176.079 176.300 0.012 0.000 0.904 274 R CA 0.156 56.259 56.100 0.005 0.000 1.052 274 R CB 0.122 30.426 30.300 0.007 0.000 1.014 274 R HN 0.420 nan 8.270 nan 0.000 0.503 275 N N 1.302 120.012 118.700 0.017 0.000 2.750 275 N HA 0.211 4.950 4.740 -0.001 0.000 0.253 275 N C -2.881 172.643 175.510 0.024 0.000 1.408 275 N CA -1.248 51.813 53.050 0.019 0.000 0.780 275 N CB 1.881 40.381 38.487 0.023 0.000 1.191 275 N HN -0.125 nan 8.380 nan 0.000 0.511 276 P HA 0.061 nan 4.420 nan 0.000 0.264 276 P C 1.081 178.398 177.300 0.027 0.000 1.193 276 P CA 0.915 64.034 63.100 0.031 0.000 0.763 276 P CB 0.510 32.226 31.700 0.027 0.000 0.810 277 G N 1.817 110.638 108.800 0.035 0.000 2.179 277 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 277 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 277 G C 0.468 175.381 174.900 0.021 0.000 0.977 277 G CA -0.011 45.105 45.100 0.026 0.000 0.641 277 G HN 0.861 nan 8.290 nan 0.000 0.533 278 A N 0.052 122.886 122.820 0.025 0.000 2.540 278 A HA 0.475 4.794 4.320 -0.001 0.000 0.239 278 A C 0.332 177.926 177.584 0.017 0.000 1.061 278 A CA 0.626 52.674 52.037 0.018 0.000 0.758 278 A CB 0.206 19.220 19.000 0.024 0.000 0.991 278 A HN 0.339 nan 8.150 nan 0.000 0.502 279 D N 0.914 121.312 120.400 -0.003 0.000 2.389 279 D HA 0.429 5.068 4.640 -0.001 0.000 0.247 279 D C -0.149 176.149 176.300 -0.003 0.000 1.128 279 D CA 0.660 54.651 54.000 -0.015 0.000 0.884 279 D CB 0.509 41.277 40.800 -0.054 0.000 1.194 279 D HN 0.258 nan 8.370 nan 0.000 0.441 280 I N 3.576 124.161 120.570 0.024 0.000 2.478 280 I HA 0.333 4.503 4.170 -0.001 0.000 0.287 280 I C -0.103 176.056 176.117 0.071 0.000 1.042 280 I CA -0.505 60.829 61.300 0.057 0.000 1.067 280 I CB 1.234 39.300 38.000 0.110 0.000 1.233 280 I HN 0.246 nan 8.210 nan 0.000 0.431 281 I N 6.983 127.552 120.570 -0.002 0.000 2.428 281 I HA 0.479 4.648 4.170 -0.001 0.000 0.296 281 I C -0.551 175.577 176.117 0.019 0.000 0.985 281 I CA -0.551 60.675 61.300 -0.123 0.000 1.260 281 I CB 1.307 39.191 38.000 -0.192 0.000 1.389 281 I HN 0.444 nan 8.210 nan 0.000 0.484 282 F N 2.678 122.616 119.950 -0.020 0.000 2.645 282 F HA 0.574 5.101 4.527 -0.001 0.000 0.310 282 F C -0.849 174.945 175.800 -0.011 0.000 1.102 282 F CA -1.298 56.694 58.000 -0.014 0.000 0.952 282 F CB 0.734 39.715 39.000 -0.032 0.000 1.326 282 F HN 0.416 nan 8.300 nan 0.000 0.456 283 D N 0.779 121.257 120.400 0.129 0.000 2.387 283 D HA 0.184 4.823 4.640 -0.001 0.000 0.251 283 D C 1.265 177.585 176.300 0.033 0.000 1.141 283 D CA -0.258 53.752 54.000 0.017 0.000 0.987 283 D CB 1.690 42.500 40.800 0.015 0.000 1.116 283 D HN 0.735 nan 8.370 nan 0.000 0.491 284 V N -1.463 118.412 119.914 -0.066 0.000 2.982 284 V HA -0.181 3.938 4.120 -0.001 0.000 0.265 284 V C 1.578 177.598 176.094 -0.123 0.000 1.122 284 V CA 1.153 63.385 62.300 -0.114 0.000 1.143 284 V CB -1.116 30.629 31.823 -0.129 0.000 0.726 284 V HN 0.482 nan 8.190 nan 0.000 0.507 285 K N -0.465 119.923 120.400 -0.019 0.000 2.487 285 K HA 0.204 4.524 4.320 -0.001 0.000 0.192 285 K C 0.616 177.274 176.600 0.097 0.000 1.027 285 K CA 0.144 56.476 56.287 0.075 0.000 1.054 285 K CB -0.054 32.493 32.500 0.079 0.000 0.824 285 K HN 0.520 nan 8.250 nan 0.000 0.510 286 C N 1.161 120.439 119.300 -0.037 0.000 2.398 286 C HA 0.165 4.624 4.460 -0.001 0.000 0.364 286 C C 1.130 176.002 174.990 -0.197 0.000 1.219 286 C CA -0.863 58.134 59.018 -0.036 0.000 2.312 286 C CB 1.043 28.782 27.740 -0.001 0.000 2.428 286 C HN 0.341 nan 8.230 nan 0.000 0.564 287 T N 1.371 115.912 114.554 -0.022 0.000 2.946 287 T HA 0.040 4.389 4.350 -0.001 0.000 0.311 287 T C 1.523 176.089 174.700 -0.223 0.000 1.063 287 T CA 0.028 62.168 62.100 0.066 0.000 1.139 287 T CB 0.330 69.265 68.868 0.111 0.000 0.994 287 T HN 0.836 nan 8.240 nan 0.000 0.547 288 R N 3.883 124.274 120.500 -0.182 0.000 2.152 288 R HA -0.039 4.300 4.340 -0.001 0.000 0.232 288 R C 1.959 178.174 176.300 -0.142 0.000 1.117 288 R CA 0.643 56.603 56.100 -0.232 0.000 0.981 288 R CB -0.138 30.109 30.300 -0.088 0.000 0.870 288 R HN 0.451 nan 8.270 nan 0.000 0.451 289 R N 0.988 121.453 120.500 -0.059 0.000 2.127 289 R HA -0.099 4.240 4.340 -0.001 0.000 0.238 289 R C 2.151 178.378 176.300 -0.122 0.000 1.134 289 R CA 0.864 56.934 56.100 -0.049 0.000 0.975 289 R CB -0.747 29.556 30.300 0.005 0.000 0.865 289 R HN 0.287 nan 8.270 nan 0.000 0.447 290 L N 1.095 122.182 121.223 -0.225 0.000 2.093 290 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 290 L C 2.074 178.730 176.870 -0.355 0.000 1.085 290 L CA 1.443 56.092 54.840 -0.318 0.000 0.755 290 L CB -0.346 41.431 42.059 -0.470 0.000 0.904 290 L HN 0.043 nan 8.230 nan 0.000 0.435 291 I N -0.556 119.764 120.570 -0.416 0.000 2.142 291 I HA -0.284 3.885 4.170 -0.001 0.000 0.240 291 I C 2.612 178.669 176.117 -0.098 0.000 1.078 291 I CA 1.229 62.377 61.300 -0.254 0.000 1.343 291 I CB -0.942 36.954 38.000 -0.174 0.000 1.046 291 I HN 0.310 nan 8.210 nan 0.000 0.405 292 A N 1.247 124.013 122.820 -0.089 0.000 1.902 292 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 292 A C 2.389 179.936 177.584 -0.063 0.000 1.181 292 A CA 1.353 53.356 52.037 -0.055 0.000 0.623 292 A CB -0.821 18.153 19.000 -0.042 0.000 0.818 292 A HN 0.442 nan 8.150 nan 0.000 0.443 293 L N -0.015 121.169 121.223 -0.064 0.000 2.046 293 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 293 L C 2.275 179.160 176.870 0.024 0.000 1.077 293 L CA 2.078 56.892 54.840 -0.044 0.000 0.747 293 L CB -0.878 41.179 42.059 -0.003 0.000 0.896 293 L HN 0.473 nan 8.230 nan 0.000 0.432 294 I N -0.432 120.160 120.570 0.036 0.000 2.202 294 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 294 I C 2.519 178.691 176.117 0.091 0.000 1.091 294 I CA 1.257 62.619 61.300 0.103 0.000 1.368 294 I CB -0.266 37.782 38.000 0.080 0.000 1.058 294 I HN 0.197 nan 8.210 nan 0.000 0.410 295 S N 0.703 116.425 115.700 0.036 0.000 2.382 295 S HA -0.123 4.347 4.470 -0.001 0.000 0.228 295 S C 2.122 176.722 174.600 -0.001 0.000 1.027 295 S CA 1.350 59.564 58.200 0.023 0.000 0.991 295 S CB -0.710 62.494 63.200 0.008 0.000 0.823 295 S HN 0.647 nan 8.310 nan 0.000 0.469 296 G N -0.166 108.595 108.800 -0.066 0.000 2.432 296 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 296 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 296 G C 0.871 175.685 174.900 -0.143 0.000 1.135 296 G CA 0.484 45.492 45.100 -0.152 0.000 0.767 296 G HN 0.514 nan 8.290 nan 0.000 0.550 297 Y N 0.451 120.769 120.300 0.031 0.000 2.529 297 Y HA 0.315 4.864 4.550 -0.001 0.000 0.290 297 Y C 2.160 178.077 175.900 0.028 0.000 1.177 297 Y CA -0.243 57.878 58.100 0.034 0.000 1.305 297 Y CB 0.107 38.593 38.460 0.044 0.000 1.047 297 Y HN 0.306 nan 8.280 nan 0.000 0.522 298 G N -0.656 108.224 108.800 0.134 0.000 2.157 298 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.248 298 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.248 298 G C 0.777 175.725 174.900 0.081 0.000 0.979 298 G CA -0.070 45.083 45.100 0.089 0.000 0.650 298 G HN 0.735 nan 8.290 nan 0.000 0.529 299 G N -0.797 108.064 108.800 0.101 0.000 2.599 299 G HA2 0.539 4.498 3.960 -0.001 0.000 0.264 299 G HA3 0.539 4.498 3.960 -0.001 0.000 0.264 299 G C -0.001 174.937 174.900 0.063 0.000 1.200 299 G CA -0.668 44.480 45.100 0.080 0.000 0.896 299 G HN 0.368 nan 8.290 nan 0.000 0.536 300 R N 1.253 121.783 120.500 0.050 0.000 2.239 300 R HA 0.266 4.605 4.340 -0.001 0.000 0.332 300 R C -2.486 173.852 176.300 0.062 0.000 0.988 300 R CA -1.500 54.625 56.100 0.040 0.000 0.859 300 R CB 2.062 32.369 30.300 0.010 0.000 1.148 300 R HN 0.367 nan 8.270 nan 0.000 0.482 301 P HA 0.103 nan 4.420 nan 0.000 0.281 301 P C -0.581 176.776 177.300 0.095 0.000 1.252 301 P CA -0.227 63.010 63.100 0.228 0.000 0.778 301 P CB 1.306 33.187 31.700 0.301 0.000 0.895 302 V N 5.373 125.241 119.914 -0.078 0.000 2.409 302 V HA 0.315 4.435 4.120 -0.001 0.000 0.290 302 V C 0.420 176.078 176.094 -0.727 0.000 1.017 302 V CA -0.601 61.531 62.300 -0.280 0.000 0.841 302 V CB 1.454 33.138 31.823 -0.231 0.000 1.003 302 V HN 0.606 nan 8.190 nan 0.000 0.426 303 M N 5.630 124.833 119.600 -0.663 0.000 2.216 303 M HA 0.452 4.931 4.480 -0.001 0.000 0.356 303 M C -1.003 175.193 176.300 -0.173 0.000 1.205 303 M CA 0.128 54.962 55.300 -0.776 0.000 1.122 303 M CB 1.220 33.604 32.600 -0.360 0.000 1.571 303 M HN 0.815 nan 8.290 nan 0.000 0.464 304 W N 3.752 124.787 121.300 -0.441 0.000 3.018 304 W HA 0.382 5.041 4.660 -0.002 0.000 0.382 304 W C -1.091 175.317 176.519 -0.185 0.000 1.161 304 W CA -0.904 56.278 57.345 -0.272 0.000 1.144 304 W CB 1.634 30.933 29.460 -0.270 0.000 1.499 304 W HN 0.489 nan 8.180 nan 0.000 0.596 305 K N 1.517 121.298 120.400 -1.033 0.000 2.355 305 K HA 0.185 4.504 4.320 -0.001 0.000 0.270 305 K C 0.155 176.572 176.600 -0.305 0.000 1.003 305 K CA 0.232 56.099 56.287 -0.700 0.000 0.957 305 K CB 0.688 32.654 32.500 -0.891 0.000 0.939 305 K HN 0.136 nan 8.250 nan 0.000 0.482 306 T N 1.540 115.995 114.554 -0.164 0.000 2.940 306 T HA 0.329 4.678 4.350 -0.001 0.000 0.309 306 T C 0.314 174.910 174.700 -0.172 0.000 1.056 306 T CA 0.520 62.574 62.100 -0.077 0.000 1.137 306 T CB 0.572 69.453 68.868 0.023 0.000 0.976 306 T HN 0.796 nan 8.240 nan 0.000 0.547 307 G N 1.798 110.395 108.800 -0.337 0.000 3.088 307 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.620 307 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.620 307 G C 0.128 174.746 174.900 -0.470 0.000 1.375 307 G CA -0.016 44.483 45.100 -1.002 0.000 1.016 307 G HN 1.045 nan 8.290 nan 0.000 0.590 308 H N 0.610 119.400 119.070 -0.468 0.000 2.353 308 H HA -0.090 4.465 4.556 -0.001 0.000 0.298 308 H C 2.500 177.840 175.328 0.021 0.000 1.103 308 H CA 2.255 58.273 56.048 -0.051 0.000 1.293 308 H CB 0.034 29.729 29.762 -0.111 0.000 1.372 308 H HN 0.381 nan 8.280 nan 0.000 0.501 309 S N 0.830 116.148 115.700 -0.638 0.000 2.383 309 S HA -0.055 4.415 4.470 -0.001 0.000 0.227 309 S C 2.174 176.687 174.600 -0.143 0.000 1.026 309 S CA 1.254 59.204 58.200 -0.416 0.000 0.981 309 S CB -0.187 62.822 63.200 -0.318 0.000 0.818 309 S HN 0.338 nan 8.310 nan 0.000 0.472 310 L N 0.981 122.149 121.223 -0.092 0.000 2.093 310 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 310 L C 2.203 179.130 176.870 0.095 0.000 1.085 310 L CA 0.770 55.647 54.840 0.062 0.000 0.755 310 L CB -0.605 41.493 42.059 0.065 0.000 0.904 310 L HN 0.287 nan 8.230 nan 0.000 0.435 311 I N 0.445 120.982 120.570 -0.055 0.000 2.226 311 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 311 I C 2.465 178.391 176.117 -0.317 0.000 1.100 311 I CA 1.623 62.785 61.300 -0.230 0.000 1.374 311 I CB -0.760 36.887 38.000 -0.589 0.000 1.057 311 I HN 0.296 nan 8.210 nan 0.000 0.413 312 K N 0.871 121.137 120.400 -0.223 0.000 2.057 312 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 312 K C 2.115 178.653 176.600 -0.104 0.000 1.049 312 K CA 1.249 57.468 56.287 -0.113 0.000 0.931 312 K CB -0.052 32.452 32.500 0.006 0.000 0.714 312 K HN 0.272 nan 8.250 nan 0.000 0.440 313 K N 0.780 121.126 120.400 -0.089 0.000 2.057 313 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 313 K C 2.091 178.596 176.600 -0.159 0.000 1.049 313 K CA 1.307 57.543 56.287 -0.085 0.000 0.931 313 K CB -0.051 32.429 32.500 -0.032 0.000 0.714 313 K HN -0.109 nan 8.250 nan 0.000 0.440 314 K N 1.158 121.417 120.400 -0.235 0.000 2.147 314 K HA -0.020 4.299 4.320 -0.001 0.000 0.205 314 K C 1.867 178.267 176.600 -0.334 0.000 1.049 314 K CA 1.313 57.330 56.287 -0.449 0.000 0.936 314 K CB -0.022 32.014 32.500 -0.773 0.000 0.722 314 K HN 0.072 nan 8.250 nan 0.000 0.446 315 M N 0.051 119.503 119.600 -0.246 0.000 2.159 315 M HA -0.170 4.310 4.480 -0.001 0.000 0.263 315 M C 2.434 178.655 176.300 -0.132 0.000 1.063 315 M CA 2.250 57.443 55.300 -0.177 0.000 1.110 315 M CB -0.293 32.226 32.600 -0.134 0.000 1.374 315 M HN 0.230 nan 8.290 nan 0.000 0.411 316 K N 0.684 121.014 120.400 -0.118 0.000 2.097 316 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 316 K C 1.506 178.039 176.600 -0.111 0.000 1.050 316 K CA 1.863 58.096 56.287 -0.090 0.000 0.938 316 K CB -1.061 31.396 32.500 -0.071 0.000 0.718 316 K HN 0.577 nan 8.250 nan 0.000 0.442 317 E N 0.005 120.110 120.200 -0.158 0.000 2.152 317 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 317 E C 2.180 178.679 176.600 -0.168 0.000 0.983 317 E CA 1.638 57.935 56.400 -0.170 0.000 0.818 317 E CB 0.139 29.699 29.700 -0.233 0.000 0.758 317 E HN 0.806 nan 8.360 nan 0.000 0.467 318 T N -3.836 110.608 114.554 -0.184 0.000 3.014 318 T HA 0.249 4.598 4.350 -0.001 0.000 0.250 318 T C 1.563 176.197 174.700 -0.111 0.000 1.060 318 T CA 0.304 62.307 62.100 -0.162 0.000 1.040 318 T CB 0.718 69.465 68.868 -0.202 0.000 0.971 318 T HN 0.213 nan 8.240 nan 0.000 0.497 319 G N 1.919 110.661 108.800 -0.098 0.000 2.160 319 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.251 319 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.251 319 G C 0.327 175.192 174.900 -0.058 0.000 1.008 319 G CA 0.002 45.062 45.100 -0.067 0.000 0.724 319 G HN 1.218 nan 8.290 nan 0.000 0.514 320 A N -0.647 122.126 122.820 -0.078 0.000 2.531 320 A HA 0.552 4.871 4.320 -0.001 0.000 0.236 320 A C 1.482 179.048 177.584 -0.030 0.000 1.062 320 A CA 0.727 52.727 52.037 -0.062 0.000 0.760 320 A CB 0.226 19.170 19.000 -0.094 0.000 0.995 320 A HN 0.854 nan 8.150 nan 0.000 0.501 321 L N 0.937 122.155 121.223 -0.008 0.000 2.509 321 L HA 0.236 4.576 4.340 -0.001 0.000 0.222 321 L C 0.030 176.914 176.870 0.023 0.000 1.123 321 L CA 0.368 55.220 54.840 0.020 0.000 0.856 321 L CB -0.200 41.879 42.059 0.033 0.000 0.985 321 L HN 0.652 nan 8.230 nan 0.000 0.456 322 L N -0.464 120.748 121.223 -0.018 0.000 2.545 322 L HA 0.773 5.112 4.340 -0.001 0.000 0.258 322 L C -1.471 175.370 176.870 -0.048 0.000 0.942 322 L CA -0.270 54.519 54.840 -0.085 0.000 0.855 322 L CB 1.842 43.814 42.059 -0.145 0.000 1.374 322 L HN -0.136 nan 8.230 nan 0.000 0.411 323 A N 2.195 125.006 122.820 -0.016 0.000 2.515 323 A HA 1.028 5.347 4.320 -0.001 0.000 0.296 323 A C -0.686 177.023 177.584 0.209 0.000 1.094 323 A CA -0.084 51.955 52.037 0.004 0.000 0.718 323 A CB 1.863 20.710 19.000 -0.255 0.000 1.307 323 A HN 1.310 nan 8.150 nan 0.000 0.408 324 G N -0.041 108.892 108.800 0.221 0.000 2.733 324 G HA2 0.594 4.553 3.960 -0.001 0.000 0.297 324 G HA3 0.594 4.553 3.960 -0.001 0.000 0.297 324 G C -1.433 173.647 174.900 0.300 0.000 1.422 324 G CA -0.480 44.823 45.100 0.338 0.000 0.942 324 G HN 0.676 nan 8.290 nan 0.000 0.510 325 E N 0.978 121.392 120.200 0.356 0.000 2.235 325 E HA 0.288 4.637 4.350 -0.001 0.000 0.265 325 E C 0.773 177.496 176.600 0.205 0.000 0.940 325 E CA -1.180 55.379 56.400 0.266 0.000 0.819 325 E CB 2.351 32.244 29.700 0.321 0.000 1.206 325 E HN 0.400 nan 8.360 nan 0.000 0.409 326 M N 1.604 121.296 119.600 0.154 0.000 2.358 326 M HA -0.131 4.348 4.480 -0.001 0.000 0.264 326 M C 1.696 178.066 176.300 0.117 0.000 1.064 326 M CA 1.603 56.975 55.300 0.121 0.000 1.093 326 M CB -0.231 32.424 32.600 0.092 0.000 1.401 326 M HN 0.465 nan 8.290 nan 0.000 0.440 327 S N -1.219 114.563 115.700 0.137 0.000 2.555 327 S HA 0.264 4.733 4.470 -0.001 0.000 0.230 327 S C 1.619 176.239 174.600 0.032 0.000 0.978 327 S CA 0.465 58.729 58.200 0.105 0.000 0.934 327 S CB -0.807 62.503 63.200 0.184 0.000 0.766 327 S HN 0.859 nan 8.310 nan 0.000 0.533 328 G N 0.693 109.529 108.800 0.061 0.000 2.159 328 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.227 328 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.227 328 G C -0.149 174.707 174.900 -0.072 0.000 0.986 328 G CA -0.110 44.980 45.100 -0.016 0.000 0.651 328 G HN 0.662 nan 8.290 nan 0.000 0.523 329 H N 0.129 119.250 119.070 0.085 0.000 2.819 329 H HA 0.449 5.005 4.556 -0.001 0.000 0.303 329 H C -0.206 175.143 175.328 0.035 0.000 1.058 329 H CA 0.361 56.403 56.048 -0.010 0.000 1.471 329 H CB 1.527 31.290 29.762 0.002 0.000 1.480 329 H HN 0.111 nan 8.280 nan 0.000 0.517 330 V N 5.659 125.573 119.914 -0.000 0.000 2.540 330 V HA 0.222 4.341 4.120 -0.001 0.000 0.302 330 V C -0.676 175.434 176.094 0.028 0.000 1.035 330 V CA -0.734 61.649 62.300 0.139 0.000 0.873 330 V CB 1.441 33.377 31.823 0.189 0.000 0.992 330 V HN 0.478 nan 8.190 nan 0.000 0.428 331 F N 4.224 124.206 119.950 0.053 0.000 2.434 331 F HA 0.576 5.103 4.527 -0.001 0.000 0.367 331 F C -0.395 175.395 175.800 -0.016 0.000 1.093 331 F CA -1.060 57.014 58.000 0.122 0.000 1.085 331 F CB 0.745 39.817 39.000 0.119 0.000 1.322 331 F HN 0.253 nan 8.300 nan 0.000 0.452 332 F N 2.683 122.788 119.950 0.258 0.000 2.420 332 F HA 0.350 4.876 4.527 -0.001 0.000 0.352 332 F C 1.421 177.342 175.800 0.202 0.000 1.108 332 F CA -0.308 57.802 58.000 0.183 0.000 1.162 332 F CB 1.495 40.596 39.000 0.168 0.000 1.118 332 F HN 0.349 nan 8.300 nan 0.000 0.510 333 K N 1.785 122.340 120.400 0.258 0.000 2.214 333 K HA 0.013 4.332 4.320 -0.001 0.000 0.201 333 K C 0.489 177.163 176.600 0.123 0.000 1.049 333 K CA 0.460 56.831 56.287 0.141 0.000 0.978 333 K CB 0.041 32.581 32.500 0.066 0.000 0.842 333 K HN 0.533 nan 8.250 nan 0.000 0.474 334 E N 1.810 122.110 120.200 0.167 0.000 2.417 334 E HA -0.061 4.289 4.350 -0.001 0.000 0.261 334 E C -0.618 176.068 176.600 0.144 0.000 1.000 334 E CA 0.344 56.822 56.400 0.129 0.000 0.919 334 E CB 0.147 29.932 29.700 0.142 0.000 0.955 334 E HN 0.271 nan 8.360 nan 0.000 0.455 335 R N 1.607 122.139 120.500 0.053 0.000 3.989 335 R HA -0.212 4.127 4.340 -0.001 0.000 0.377 335 R C -0.120 176.212 176.300 0.054 0.000 1.158 335 R CA 1.570 57.691 56.100 0.036 0.000 1.035 335 R CB -1.571 28.762 30.300 0.055 0.000 1.557 335 R HN 0.753 nan 8.270 nan 0.000 0.551 336 W N -1.876 119.185 121.300 -0.398 0.000 3.440 336 W HA 0.351 5.010 4.660 -0.001 0.000 0.407 336 W C -0.627 175.430 176.519 -0.769 0.000 1.078 336 W CA -0.541 56.393 57.345 -0.685 0.000 1.240 336 W CB 0.369 29.483 29.460 -0.578 0.000 1.485 336 W HN -0.172 nan 8.180 nan 0.000 0.633 337 F N 0.484 120.027 119.950 -0.678 0.000 2.767 337 F HA 0.301 4.828 4.527 -0.001 0.000 0.323 337 F C 1.440 177.059 175.800 -0.301 0.000 1.091 337 F CA 0.827 58.493 58.000 -0.557 0.000 1.192 337 F CB 0.949 39.491 39.000 -0.764 0.000 1.056 337 F HN 0.587 nan 8.300 nan 0.000 0.571 338 G N 0.977 109.736 108.800 -0.069 0.000 2.176 338 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.232 338 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.232 338 G C 0.157 175.216 174.900 0.266 0.000 0.986 338 G CA 0.025 45.196 45.100 0.119 0.000 0.643 338 G HN 0.275 nan 8.290 nan 0.000 0.522 339 F N 1.609 121.769 119.950 0.350 0.000 2.403 339 F HA 0.692 5.218 4.527 -0.001 0.000 0.326 339 F C 0.297 176.325 175.800 0.379 0.000 1.081 339 F CA -2.111 56.088 58.000 0.332 0.000 1.041 339 F CB 0.495 39.600 39.000 0.175 0.000 1.234 339 F HN 0.099 nan 8.300 nan 0.000 0.503 340 D N 0.597 121.220 120.400 0.373 0.000 2.390 340 D HA 0.247 4.887 4.640 -0.001 0.000 0.249 340 D C -1.019 175.566 176.300 0.475 0.000 1.144 340 D CA -0.018 53.928 54.000 -0.090 0.000 0.880 340 D CB 1.247 41.633 40.800 -0.690 0.000 1.182 340 D HN 0.663 nan 8.370 nan 0.000 0.451 341 D N 0.781 121.415 120.400 0.389 0.000 2.333 341 D HA 0.222 4.861 4.640 -0.001 0.000 0.225 341 D C 0.924 177.434 176.300 0.351 0.000 1.345 341 D CA -0.649 53.653 54.000 0.503 0.000 0.971 341 D CB 1.159 42.438 40.800 0.798 0.000 1.451 341 D HN 0.397 nan 8.370 nan 0.000 0.561 342 G N 2.442 111.420 108.800 0.296 0.000 2.421 342 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.217 342 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.217 342 G C 1.585 176.752 174.900 0.445 0.000 1.143 342 G CA 0.501 45.806 45.100 0.342 0.000 0.784 342 G HN 0.553 nan 8.290 nan 0.000 0.541 343 I N -0.915 119.832 120.570 0.295 0.000 2.233 343 I HA -0.084 4.085 4.170 -0.001 0.000 0.243 343 I C 2.387 178.570 176.117 0.111 0.000 1.093 343 I CA 0.862 62.257 61.300 0.159 0.000 1.380 343 I CB -0.288 37.745 38.000 0.055 0.000 1.067 343 I HN 0.156 nan 8.210 nan 0.000 0.413 344 Y N 1.529 121.801 120.300 -0.046 0.000 2.181 344 Y HA -0.271 4.278 4.550 -0.001 0.000 0.288 344 Y C 2.744 178.424 175.900 -0.368 0.000 1.146 344 Y CA 1.655 59.516 58.100 -0.398 0.000 1.164 344 Y CB -0.303 37.692 38.460 -0.775 0.000 0.982 344 Y HN 0.053 nan 8.280 nan 0.000 0.515 345 S N 0.138 115.770 115.700 -0.113 0.000 2.368 345 S HA -0.203 4.266 4.470 -0.001 0.000 0.225 345 S C 2.288 176.900 174.600 0.020 0.000 1.030 345 S CA 1.020 59.193 58.200 -0.044 0.000 0.999 345 S CB -0.794 62.569 63.200 0.273 0.000 0.844 345 S HN 0.633 nan 8.310 nan 0.000 0.459 346 A N 1.601 124.473 122.820 0.086 0.000 1.902 346 A HA 0.056 4.375 4.320 -0.001 0.000 0.217 346 A C 2.355 179.920 177.584 -0.032 0.000 1.181 346 A CA 1.774 53.871 52.037 0.101 0.000 0.623 346 A CB -1.085 18.057 19.000 0.237 0.000 0.818 346 A HN 0.521 nan 8.150 nan 0.000 0.443 347 A N -0.594 122.109 122.820 -0.195 0.000 1.902 347 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 347 A C 2.207 179.560 177.584 -0.385 0.000 1.181 347 A CA 1.417 53.270 52.037 -0.307 0.000 0.623 347 A CB -0.429 18.315 19.000 -0.428 0.000 0.818 347 A HN 0.388 nan 8.150 nan 0.000 0.443 348 R N -0.883 119.247 120.500 -0.617 0.000 2.096 348 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 348 R C 2.040 178.318 176.300 -0.037 0.000 1.127 348 R CA 1.337 57.098 56.100 -0.566 0.000 0.968 348 R CB -1.212 28.379 30.300 -1.181 0.000 0.861 348 R HN 0.551 nan 8.270 nan 0.000 0.440 349 L N 0.981 122.327 121.223 0.206 0.000 2.056 349 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 349 L C 2.105 179.026 176.870 0.085 0.000 1.078 349 L CA 1.538 56.552 54.840 0.290 0.000 0.749 349 L CB -0.536 41.686 42.059 0.271 0.000 0.901 349 L HN 0.062 nan 8.230 nan 0.000 0.433 350 L N -0.537 120.696 121.223 0.016 0.000 2.083 350 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 350 L C 2.579 179.423 176.870 -0.042 0.000 1.083 350 L CA 1.548 56.378 54.840 -0.018 0.000 0.752 350 L CB -0.588 41.448 42.059 -0.038 0.000 0.899 350 L HN 0.457 nan 8.230 nan 0.000 0.433 351 E N 0.899 121.055 120.200 -0.074 0.000 2.058 351 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 351 E C 2.283 178.854 176.600 -0.048 0.000 0.997 351 E CA 1.491 57.842 56.400 -0.082 0.000 0.801 351 E CB -0.037 29.584 29.700 -0.132 0.000 0.746 351 E HN 0.457 nan 8.360 nan 0.000 0.450 352 I N 0.740 121.299 120.570 -0.020 0.000 2.202 352 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 352 I C 2.424 178.517 176.117 -0.039 0.000 1.091 352 I CA 0.816 62.108 61.300 -0.013 0.000 1.368 352 I CB -0.162 37.858 38.000 0.034 0.000 1.058 352 I HN 0.196 nan 8.210 nan 0.000 0.410 353 L N 0.378 121.578 121.223 -0.038 0.000 2.131 353 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 353 L C 2.754 179.600 176.870 -0.041 0.000 1.092 353 L CA 1.575 56.384 54.840 -0.051 0.000 0.759 353 L CB -0.648 41.396 42.059 -0.025 0.000 0.903 353 L HN 0.380 nan 8.230 nan 0.000 0.435 354 S N -0.941 114.738 115.700 -0.035 0.000 2.447 354 S HA -0.200 4.270 4.470 -0.001 0.000 0.233 354 S C 1.742 176.321 174.600 -0.036 0.000 1.006 354 S CA 0.696 58.876 58.200 -0.034 0.000 0.957 354 S CB -0.224 62.955 63.200 -0.035 0.000 0.773 354 S HN 0.505 nan 8.310 nan 0.000 0.507 355 Q N 0.673 120.450 119.800 -0.039 0.000 2.451 355 Q HA 0.212 4.552 4.340 -0.001 0.000 0.206 355 Q C -0.227 175.749 176.000 -0.041 0.000 0.947 355 Q CA 0.219 55.999 55.803 -0.038 0.000 0.937 355 Q CB 0.155 28.871 28.738 -0.037 0.000 1.025 355 Q HN 0.534 nan 8.270 nan 0.000 0.511 356 D N -0.555 119.817 120.400 -0.047 0.000 2.193 356 D HA 0.124 4.763 4.640 -0.001 0.000 0.244 356 D C 0.663 176.934 176.300 -0.048 0.000 1.064 356 D CA 0.125 54.093 54.000 -0.053 0.000 0.845 356 D CB 1.535 42.293 40.800 -0.070 0.000 1.148 356 D HN 0.140 nan 8.370 nan 0.000 0.464 357 Q N 3.791 123.562 119.800 -0.047 0.000 2.230 357 Q HA -0.055 4.284 4.340 -0.001 0.000 0.202 357 Q C 1.137 177.103 176.000 -0.056 0.000 0.963 357 Q CA 0.875 56.649 55.803 -0.047 0.000 0.866 357 Q CB -0.267 28.444 28.738 -0.044 0.000 0.931 357 Q HN 0.487 nan 8.270 nan 0.000 0.452 358 R N 1.954 122.417 120.500 -0.060 0.000 2.707 358 R HA 0.344 4.683 4.340 -0.001 0.000 0.270 358 R C -0.373 175.899 176.300 -0.048 0.000 1.083 358 R CA -0.176 55.883 56.100 -0.069 0.000 1.182 358 R CB 0.384 30.655 30.300 -0.049 0.000 1.084 358 R HN 0.685 nan 8.270 nan 0.000 0.528 359 D N -0.379 119.995 120.400 -0.044 0.000 2.377 359 D HA -0.043 4.596 4.640 -0.001 0.000 0.245 359 D C 0.746 177.078 176.300 0.054 0.000 1.196 359 D CA -0.426 53.576 54.000 0.004 0.000 0.962 359 D CB 0.694 41.499 40.800 0.009 0.000 1.127 359 D HN 0.445 nan 8.370 nan 0.000 0.471 360 S N -0.358 115.384 115.700 0.071 0.000 2.399 360 S HA -0.281 4.188 4.470 -0.001 0.000 0.231 360 S C 1.620 176.346 174.600 0.210 0.000 1.022 360 S CA 1.249 59.523 58.200 0.122 0.000 0.983 360 S CB -0.515 62.781 63.200 0.160 0.000 0.803 360 S HN 0.605 nan 8.310 nan 0.000 0.480 361 E N 1.698 122.009 120.200 0.184 0.000 2.077 361 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 361 E C 1.932 178.609 176.600 0.128 0.000 0.989 361 E CA 1.808 58.310 56.400 0.169 0.000 0.800 361 E CB -0.587 29.206 29.700 0.155 0.000 0.746 361 E HN 0.801 nan 8.360 nan 0.000 0.452 362 H N -0.908 118.178 119.070 0.027 0.000 2.436 362 H HA 0.023 4.579 4.556 -0.001 0.000 0.294 362 H C 2.127 177.419 175.328 -0.059 0.000 1.048 362 H CA 1.072 57.113 56.048 -0.012 0.000 1.353 362 H CB 0.364 30.108 29.762 -0.030 0.000 1.414 362 H HN 0.090 nan 8.280 nan 0.000 0.536 363 V N 0.829 120.750 119.914 0.011 0.000 2.287 363 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 363 V C 2.091 178.069 176.094 -0.193 0.000 1.053 363 V CA 1.866 64.061 62.300 -0.174 0.000 1.027 363 V CB -0.723 30.921 31.823 -0.299 0.000 0.646 363 V HN 0.259 nan 8.190 nan 0.000 0.447 364 F N 0.768 120.761 119.950 0.072 0.000 2.293 364 F HA -0.101 4.426 4.527 -0.001 0.000 0.297 364 F C 2.671 178.546 175.800 0.125 0.000 1.089 364 F CA 1.158 59.261 58.000 0.170 0.000 1.377 364 F CB -0.384 38.667 39.000 0.086 0.000 1.051 364 F HN 0.249 nan 8.300 nan 0.000 0.511 365 S N 0.154 115.946 115.700 0.152 0.000 2.481 365 S HA -0.041 4.429 4.470 -0.001 0.000 0.231 365 S C 2.040 176.631 174.600 -0.015 0.000 0.996 365 S CA 0.586 58.811 58.200 0.042 0.000 0.942 365 S CB -0.517 62.629 63.200 -0.090 0.000 0.768 365 S HN 0.224 nan 8.310 nan 0.000 0.520 366 A N 0.810 123.565 122.820 -0.108 0.000 2.015 366 A HA 0.271 4.590 4.320 -0.001 0.000 0.219 366 A C 0.556 178.002 177.584 -0.229 0.000 1.163 366 A CA 0.297 52.202 52.037 -0.219 0.000 0.646 366 A CB -0.706 18.082 19.000 -0.353 0.000 0.806 366 A HN 0.509 nan 8.150 nan 0.000 0.448 367 F N 0.451 120.420 119.950 0.033 0.000 2.459 367 F HA 0.380 4.906 4.527 -0.001 0.000 0.346 367 F C -1.811 174.009 175.800 0.033 0.000 1.128 367 F CA -2.391 55.634 58.000 0.042 0.000 1.268 367 F CB -0.119 38.923 39.000 0.070 0.000 1.161 367 F HN -0.025 nan 8.300 nan 0.000 0.583 368 P HA 0.129 nan 4.420 nan 0.000 0.269 368 P C -0.909 176.464 177.300 0.122 0.000 1.209 368 P CA -0.044 63.131 63.100 0.125 0.000 0.776 368 P CB 0.726 32.485 31.700 0.097 0.000 0.876 369 S N 0.969 116.719 115.700 0.085 0.000 2.548 369 S HA 0.501 4.970 4.470 -0.001 0.000 0.286 369 S C -0.931 173.701 174.600 0.053 0.000 1.098 369 S CA -0.558 57.685 58.200 0.073 0.000 0.930 369 S CB 1.191 64.431 63.200 0.065 0.000 1.070 369 S HN 0.336 nan 8.310 nan 0.000 0.480 370 D N 0.996 121.425 120.400 0.048 0.000 2.414 370 D HA 0.484 5.123 4.640 -0.001 0.000 0.241 370 D C -0.312 175.991 176.300 0.005 0.000 1.008 370 D CA -0.518 53.501 54.000 0.031 0.000 1.001 370 D CB 1.075 41.902 40.800 0.046 0.000 1.277 370 D HN 0.360 nan 8.370 nan 0.000 0.538 371 I N 1.121 121.682 120.570 -0.014 0.000 2.471 371 I HA 0.145 4.314 4.170 -0.001 0.000 0.286 371 I C 0.684 176.756 176.117 -0.074 0.000 1.079 371 I CA 0.256 61.534 61.300 -0.036 0.000 1.398 371 I CB 0.481 38.459 38.000 -0.036 0.000 1.403 371 I HN 0.226 nan 8.210 nan 0.000 0.530 372 S N 3.330 118.977 115.700 -0.089 0.000 2.632 372 S HA 0.705 5.174 4.470 -0.001 0.000 0.289 372 S C -0.295 174.223 174.600 -0.137 0.000 1.115 372 S CA -0.771 57.342 58.200 -0.145 0.000 0.889 372 S CB 1.928 65.032 63.200 -0.160 0.000 1.116 372 S HN 0.628 nan 8.310 nan 0.000 0.486 373 T N -0.382 114.077 114.554 -0.158 0.000 2.934 373 T HA 0.720 5.069 4.350 -0.001 0.000 0.283 373 T C -2.748 171.850 174.700 -0.171 0.000 1.005 373 T CA -1.746 60.284 62.100 -0.118 0.000 1.041 373 T CB 0.597 69.434 68.868 -0.052 0.000 1.042 373 T HN 0.610 nan 8.240 nan 0.000 0.505 374 P HA 0.270 nan 4.420 nan 0.000 0.278 374 P C -0.224 177.002 177.300 -0.124 0.000 1.238 374 P CA -0.467 62.539 63.100 -0.157 0.000 0.794 374 P CB 0.343 31.989 31.700 -0.089 0.000 0.955 375 E N 0.993 121.118 120.200 -0.124 0.000 2.900 375 E HA -0.064 4.285 4.350 -0.001 0.000 0.259 375 E C -0.203 176.358 176.600 -0.064 0.000 0.918 375 E CA 0.627 56.969 56.400 -0.096 0.000 0.960 375 E CB -0.204 29.464 29.700 -0.054 0.000 0.908 375 E HN 0.317 nan 8.360 nan 0.000 0.511 376 I N 4.043 124.565 120.570 -0.079 0.000 2.437 376 I HA 0.268 4.438 4.170 -0.001 0.000 0.298 376 I C -0.136 175.976 176.117 -0.008 0.000 0.984 376 I CA -0.764 60.522 61.300 -0.024 0.000 1.214 376 I CB 1.502 39.481 38.000 -0.034 0.000 1.365 376 I HN 0.413 nan 8.210 nan 0.000 0.469 377 N N 5.960 124.682 118.700 0.037 0.000 2.296 377 N HA 0.602 5.341 4.740 -0.001 0.000 0.294 377 N C -1.165 174.389 175.510 0.075 0.000 1.033 377 N CA -0.382 52.694 53.050 0.044 0.000 0.839 377 N CB 2.249 40.758 38.487 0.038 0.000 1.395 377 N HN 0.397 nan 8.380 nan 0.000 0.479 378 I N 1.137 121.755 120.570 0.080 0.000 2.418 378 I HA 0.264 4.434 4.170 -0.001 0.000 0.287 378 I C -0.041 176.111 176.117 0.059 0.000 1.008 378 I CA -0.580 60.776 61.300 0.092 0.000 1.104 378 I CB 1.787 39.869 38.000 0.137 0.000 1.264 378 I HN 0.226 nan 8.210 nan 0.000 0.438 379 T N 6.297 120.880 114.554 0.048 0.000 2.761 379 T HA 0.345 4.695 4.350 -0.001 0.000 0.296 379 T C 0.643 175.358 174.700 0.025 0.000 0.934 379 T CA -0.422 61.696 62.100 0.030 0.000 1.091 379 T CB 1.019 69.904 68.868 0.028 0.000 0.896 379 T HN 0.482 nan 8.240 nan 0.000 0.515 380 V N 1.412 121.331 119.914 0.009 0.000 6.976 380 V HA 0.827 4.946 4.120 -0.001 0.000 0.265 380 V C 0.375 176.463 176.094 -0.009 0.000 1.690 380 V CA -0.438 61.864 62.300 0.003 0.000 0.585 380 V CB 0.717 32.539 31.823 -0.001 0.000 1.621 380 V HN 0.832 nan 8.190 nan 0.000 0.353 381 T N -3.254 111.284 114.554 -0.027 0.000 2.906 381 T HA 0.538 4.888 4.350 -0.001 0.000 0.295 381 T C 0.383 175.043 174.700 -0.066 0.000 1.075 381 T CA 0.317 62.399 62.100 -0.030 0.000 1.005 381 T CB 2.231 71.092 68.868 -0.012 0.000 1.136 381 T HN 0.700 nan 8.240 nan 0.000 0.498 382 E N 0.334 120.502 120.200 -0.054 0.000 2.153 382 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 382 E C 0.954 177.505 176.600 -0.080 0.000 0.988 382 E CA 1.521 57.873 56.400 -0.080 0.000 0.811 382 E CB -0.256 29.430 29.700 -0.023 0.000 0.746 382 E HN 0.664 nan 8.360 nan 0.000 0.466 383 D N -1.501 118.883 120.400 -0.026 0.000 2.349 383 D HA 0.052 4.691 4.640 -0.001 0.000 0.214 383 D C 1.017 177.325 176.300 0.013 0.000 1.063 383 D CA 0.797 54.807 54.000 0.016 0.000 0.847 383 D CB 0.454 41.272 40.800 0.030 0.000 0.933 383 D HN 0.224 nan 8.370 nan 0.000 0.513 384 S N -0.484 115.199 115.700 -0.028 0.000 2.604 384 S HA -0.006 4.463 4.470 -0.001 0.000 0.235 384 S C 1.682 176.252 174.600 -0.050 0.000 1.043 384 S CA -0.313 57.880 58.200 -0.013 0.000 0.997 384 S CB 0.224 63.422 63.200 -0.002 0.000 0.956 384 S HN 0.162 nan 8.310 nan 0.000 0.535 385 K N 1.045 121.344 120.400 -0.169 0.000 2.057 385 K HA -0.061 4.259 4.320 -0.001 0.000 0.207 385 K C 1.458 177.944 176.600 -0.190 0.000 1.049 385 K CA 1.527 57.671 56.287 -0.239 0.000 0.931 385 K CB -0.861 31.400 32.500 -0.398 0.000 0.714 385 K HN 0.436 nan 8.250 nan 0.000 0.440 386 F N 1.756 121.724 119.950 0.030 0.000 2.234 386 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 386 F C 2.770 178.589 175.800 0.031 0.000 1.087 386 F CA 0.598 58.614 58.000 0.027 0.000 1.340 386 F CB -0.215 38.795 39.000 0.018 0.000 1.031 386 F HN 0.165 nan 8.300 nan 0.000 0.500 387 A N 0.513 123.442 122.820 0.182 0.000 1.969 387 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 387 A C 2.111 179.752 177.584 0.095 0.000 1.169 387 A CA 1.235 53.345 52.037 0.121 0.000 0.635 387 A CB -0.953 18.099 19.000 0.088 0.000 0.810 387 A HN 0.398 nan 8.150 nan 0.000 0.445 388 I N -0.005 120.614 120.570 0.080 0.000 2.179 388 I HA -0.226 3.943 4.170 -0.001 0.000 0.242 388 I C 2.109 178.291 176.117 0.109 0.000 1.088 388 I CA 0.822 62.171 61.300 0.081 0.000 1.357 388 I CB -0.261 37.780 38.000 0.069 0.000 1.051 388 I HN 0.220 nan 8.210 nan 0.000 0.409 389 I N 0.830 121.475 120.570 0.124 0.000 2.163 389 I HA -0.268 3.901 4.170 -0.001 0.000 0.243 389 I C 2.471 178.666 176.117 0.129 0.000 1.085 389 I CA 1.745 63.129 61.300 0.141 0.000 1.347 389 I CB -1.332 36.764 38.000 0.160 0.000 1.044 389 I HN 0.337 nan 8.210 nan 0.000 0.408 390 E N 0.856 121.129 120.200 0.121 0.000 2.077 390 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 390 E C 2.346 178.997 176.600 0.085 0.000 0.989 390 E CA 1.423 57.880 56.400 0.095 0.000 0.800 390 E CB -0.158 29.593 29.700 0.086 0.000 0.746 390 E HN 0.504 nan 8.360 nan 0.000 0.452 391 A N 1.003 123.873 122.820 0.083 0.000 1.902 391 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 391 A C 2.178 179.808 177.584 0.077 0.000 1.181 391 A CA 1.037 53.114 52.037 0.067 0.000 0.623 391 A CB -0.623 18.410 19.000 0.055 0.000 0.818 391 A HN 0.134 nan 8.150 nan 0.000 0.443 392 L N -0.850 120.442 121.223 0.115 0.000 2.042 392 L HA -0.275 4.065 4.340 -0.001 0.000 0.210 392 L C 2.888 179.882 176.870 0.208 0.000 1.076 392 L CA 1.741 56.684 54.840 0.172 0.000 0.749 392 L CB -0.559 41.666 42.059 0.277 0.000 0.893 392 L HN 0.481 nan 8.230 nan 0.000 0.432 393 Q N -0.721 119.180 119.800 0.169 0.000 2.224 393 Q HA -0.168 4.171 4.340 -0.001 0.000 0.203 393 Q C 2.343 178.410 176.000 0.112 0.000 0.970 393 Q CA 1.137 57.028 55.803 0.147 0.000 0.865 393 Q CB 0.006 28.802 28.738 0.097 0.000 0.922 393 Q HN 0.448 nan 8.270 nan 0.000 0.445 394 R N 0.086 120.636 120.500 0.083 0.000 2.062 394 R HA -0.062 4.277 4.340 -0.001 0.000 0.226 394 R C 1.079 177.404 176.300 0.042 0.000 1.125 394 R CA 1.299 57.432 56.100 0.056 0.000 0.966 394 R CB 0.195 30.520 30.300 0.041 0.000 0.861 394 R HN 0.234 nan 8.270 nan 0.000 0.433 395 D N -0.209 120.208 120.400 0.027 0.000 2.380 395 D HA 0.123 4.762 4.640 -0.001 0.000 0.212 395 D C 0.202 176.455 176.300 -0.078 0.000 1.021 395 D CA 0.168 54.157 54.000 -0.018 0.000 0.884 395 D CB 0.207 40.991 40.800 -0.026 0.000 1.001 395 D HN 0.100 nan 8.370 nan 0.000 0.506 396 A N 0.446 123.207 122.820 -0.099 0.000 2.407 396 A HA 0.535 4.854 4.320 -0.001 0.000 0.248 396 A C 0.394 177.683 177.584 -0.492 0.000 1.082 396 A CA 0.037 51.843 52.037 -0.385 0.000 0.785 396 A CB 0.032 18.712 19.000 -0.534 0.000 1.020 396 A HN 0.136 nan 8.150 nan 0.000 0.489 397 Q N 0.265 119.663 119.800 -0.670 0.000 2.333 397 Q HA 0.510 4.849 4.340 -0.001 0.000 0.268 397 Q C -0.391 175.232 176.000 -0.628 0.000 1.007 397 Q CA -0.475 55.054 55.803 -0.457 0.000 0.810 397 Q CB 0.576 29.178 28.738 -0.228 0.000 1.264 397 Q HN 0.935 nan 8.270 nan 0.000 0.452 398 W N 1.508 122.820 121.300 0.021 0.000 3.008 398 W HA 0.475 5.134 4.660 -0.002 0.000 0.355 398 W C 1.217 177.854 176.519 0.196 0.000 1.095 398 W CA 0.429 57.817 57.345 0.072 0.000 1.738 398 W CB 0.889 30.376 29.460 0.045 0.000 1.091 398 W HN 1.435 nan 8.180 nan 0.000 0.574 399 G N 1.668 110.632 108.800 0.273 0.000 2.750 399 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.228 399 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.228 399 G C -0.518 174.566 174.900 0.306 0.000 1.367 399 G CA -0.443 44.804 45.100 0.245 0.000 0.871 399 G HN 0.134 nan 8.290 nan 0.000 0.560 400 E N 0.424 120.783 120.200 0.266 0.000 2.324 400 E HA 0.551 4.901 4.350 -0.001 0.000 0.271 400 E C 0.672 177.466 176.600 0.322 0.000 1.028 400 E CA 1.288 57.829 56.400 0.235 0.000 0.890 400 E CB 0.319 30.122 29.700 0.172 0.000 1.004 400 E HN 2.041 nan 8.360 nan 0.000 0.431 401 G N 3.324 112.225 108.800 0.169 0.000 2.325 401 G HA2 0.136 4.095 3.960 -0.001 0.000 0.297 401 G HA3 0.136 4.095 3.960 -0.001 0.000 0.297 401 G C -1.500 173.374 174.900 -0.043 0.000 1.448 401 G CA -0.997 44.111 45.100 0.013 0.000 0.838 401 G HN 0.574 nan 8.290 nan 0.000 0.579 402 N N 0.097 118.737 118.700 -0.100 0.000 2.406 402 N HA 0.450 5.189 4.740 -0.001 0.000 0.251 402 N C -0.175 175.257 175.510 -0.131 0.000 1.069 402 N CA -0.401 52.602 53.050 -0.078 0.000 0.947 402 N CB 0.353 38.806 38.487 -0.057 0.000 1.111 402 N HN 0.447 nan 8.380 nan 0.000 0.497 403 I N 2.421 122.930 120.570 -0.102 0.000 2.331 403 I HA 0.209 4.378 4.170 -0.001 0.000 0.292 403 I C 0.111 176.161 176.117 -0.112 0.000 0.998 403 I CA -0.369 60.841 61.300 -0.149 0.000 1.267 403 I CB 1.466 39.404 38.000 -0.102 0.000 1.386 403 I HN 0.330 nan 8.210 nan 0.000 0.476 404 T N 3.210 117.681 114.554 -0.139 0.000 2.786 404 T HA 0.281 4.630 4.350 -0.001 0.000 0.283 404 T C 0.636 175.270 174.700 -0.111 0.000 0.992 404 T CA -0.549 61.489 62.100 -0.104 0.000 0.954 404 T CB 1.156 69.960 68.868 -0.107 0.000 0.934 404 T HN 0.748 nan 8.240 nan 0.000 0.440 405 T N 0.150 114.658 114.554 -0.077 0.000 3.215 405 T HA 0.132 4.481 4.350 -0.001 0.000 0.271 405 T C 1.718 176.368 174.700 -0.084 0.000 1.012 405 T CA -0.411 61.649 62.100 -0.067 0.000 0.899 405 T CB -0.562 68.290 68.868 -0.027 0.000 1.089 405 T HN 0.416 nan 8.240 nan 0.000 0.552 406 L N -1.376 119.777 121.223 -0.117 0.000 2.201 406 L HA 0.409 4.748 4.340 -0.001 0.000 0.212 406 L C 0.278 176.975 176.870 -0.288 0.000 1.105 406 L CA 1.206 55.927 54.840 -0.199 0.000 0.775 406 L CB -0.453 41.468 42.059 -0.229 0.000 0.913 406 L HN 0.114 nan 8.230 nan 0.000 0.440 407 D N -0.167 120.101 120.400 -0.221 0.000 2.328 407 D HA 0.464 5.103 4.640 -0.001 0.000 0.243 407 D C 0.464 176.715 176.300 -0.083 0.000 1.324 407 D CA 0.675 54.571 54.000 -0.175 0.000 0.966 407 D CB 0.778 41.440 40.800 -0.230 0.000 1.324 407 D HN 0.451 nan 8.370 nan 0.000 0.549 408 G N 1.401 110.183 108.800 -0.030 0.000 2.509 408 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.259 408 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.259 408 G C -0.900 173.989 174.900 -0.018 0.000 1.169 408 G CA 0.029 45.137 45.100 0.012 0.000 0.953 408 G HN 0.875 nan 8.290 nan 0.000 0.563 409 V N 1.044 120.939 119.914 -0.032 0.000 2.482 409 V HA 0.700 4.819 4.120 -0.001 0.000 0.295 409 V C 0.302 176.302 176.094 -0.157 0.000 1.026 409 V CA -0.253 61.954 62.300 -0.154 0.000 0.856 409 V CB 1.544 33.207 31.823 -0.266 0.000 1.001 409 V HN 0.919 nan 8.190 nan 0.000 0.424 410 R N 3.544 123.942 120.500 -0.170 0.000 2.445 410 R HA 0.832 5.171 4.340 -0.001 0.000 0.308 410 R C -1.713 174.476 176.300 -0.184 0.000 0.961 410 R CA -0.408 55.633 56.100 -0.098 0.000 0.862 410 R CB 2.006 32.247 30.300 -0.099 0.000 1.144 410 R HN 0.529 nan 8.270 nan 0.000 0.447 411 V N 3.847 123.700 119.914 -0.102 0.000 2.487 411 V HA 0.303 4.422 4.120 -0.001 0.000 0.298 411 V C -0.673 175.261 176.094 -0.266 0.000 1.028 411 V CA -0.826 61.303 62.300 -0.285 0.000 0.860 411 V CB 1.840 33.415 31.823 -0.414 0.000 0.991 411 V HN 0.808 nan 8.190 nan 0.000 0.427 412 D N 3.711 123.938 120.400 -0.288 0.000 2.349 412 D HA 0.433 5.072 4.640 -0.001 0.000 0.232 412 D C -1.012 175.167 176.300 -0.200 0.000 1.071 412 D CA 0.011 53.938 54.000 -0.123 0.000 0.832 412 D CB 1.817 42.577 40.800 -0.067 0.000 1.086 412 D HN 0.456 nan 8.370 nan 0.000 0.504 413 Y N 1.243 121.655 120.300 0.187 0.000 2.519 413 Y HA 0.219 4.768 4.550 -0.001 0.000 0.324 413 Y C -1.132 174.842 175.900 0.123 0.000 1.214 413 Y CA -1.932 56.258 58.100 0.150 0.000 1.260 413 Y CB 0.511 39.069 38.460 0.164 0.000 1.311 413 Y HN 0.245 nan 8.280 nan 0.000 0.505 414 P HA -0.181 nan 4.420 nan 0.000 0.216 414 P C 0.232 177.625 177.300 0.155 0.000 1.150 414 P CA 1.978 65.178 63.100 0.167 0.000 0.843 414 P CB 0.223 32.004 31.700 0.135 0.000 0.787 415 K N -1.631 118.873 120.400 0.172 0.000 2.387 415 K HA 0.464 4.783 4.320 -0.001 0.000 0.203 415 K C 0.867 177.557 176.600 0.149 0.000 1.030 415 K CA 0.195 56.559 56.287 0.129 0.000 1.099 415 K CB 1.303 33.851 32.500 0.081 0.000 0.863 415 K HN 0.160 nan 8.250 nan 0.000 0.529 416 G N 1.435 110.379 108.800 0.240 0.000 2.321 416 G HA2 0.295 4.254 3.960 -0.001 0.000 0.296 416 G HA3 0.295 4.254 3.960 -0.001 0.000 0.296 416 G C -2.208 172.950 174.900 0.430 0.000 1.287 416 G CA -0.947 44.302 45.100 0.248 0.000 0.846 416 G HN 0.132 nan 8.290 nan 0.000 0.508 417 W N -0.625 120.783 121.300 0.179 0.000 3.075 417 W HA 0.799 5.458 4.660 -0.001 0.000 0.334 417 W C -0.473 176.098 176.519 0.086 0.000 1.243 417 W CA -1.091 56.339 57.345 0.143 0.000 1.170 417 W CB 1.312 30.771 29.460 -0.001 0.000 1.452 417 W HN 1.468 nan 8.180 nan 0.000 0.572 418 G N 0.959 109.884 108.800 0.208 0.000 2.619 418 G HA2 0.699 4.658 3.960 -0.001 0.000 0.296 418 G HA3 0.699 4.658 3.960 -0.001 0.000 0.296 418 G C -2.599 172.118 174.900 -0.306 0.000 1.334 418 G CA -0.964 43.852 45.100 -0.473 0.000 0.934 418 G HN 0.734 nan 8.290 nan 0.000 0.476 419 L N 0.905 121.713 121.223 -0.692 0.000 2.455 419 L HA 0.855 5.195 4.340 -0.001 0.000 0.264 419 L C -1.471 175.241 176.870 -0.262 0.000 0.968 419 L CA -0.970 53.745 54.840 -0.208 0.000 0.827 419 L CB 2.255 44.317 42.059 0.005 0.000 1.317 419 L HN 0.686 nan 8.230 nan 0.000 0.407 420 V N 5.896 125.847 119.914 0.063 0.000 2.577 420 V HA 0.861 4.980 4.120 -0.001 0.000 0.303 420 V C -1.030 175.105 176.094 0.068 0.000 1.042 420 V CA -0.202 62.150 62.300 0.085 0.000 0.872 420 V CB 1.728 33.726 31.823 0.292 0.000 0.998 420 V HN 1.058 nan 8.190 nan 0.000 0.423 421 R N 5.250 125.774 120.500 0.039 0.000 2.799 421 R HA 0.911 5.251 4.340 -0.001 0.000 0.270 421 R C -0.870 175.462 176.300 0.054 0.000 1.010 421 R CA -0.553 55.577 56.100 0.051 0.000 0.916 421 R CB 1.941 32.257 30.300 0.027 0.000 1.228 421 R HN 0.854 nan 8.270 nan 0.000 0.469 422 A N 1.314 124.179 122.820 0.075 0.000 2.366 422 A HA 0.328 4.648 4.320 -0.001 0.000 0.272 422 A C 0.169 177.788 177.584 0.058 0.000 1.135 422 A CA -0.317 51.737 52.037 0.028 0.000 0.804 422 A CB 0.827 19.820 19.000 -0.012 0.000 1.064 422 A HN 0.671 nan 8.150 nan 0.000 0.499 423 S N 1.496 117.208 115.700 0.020 0.000 2.560 423 S HA 0.033 4.503 4.470 -0.001 0.000 0.284 423 S C 0.737 175.359 174.600 0.037 0.000 1.327 423 S CA -0.070 58.162 58.200 0.052 0.000 1.055 423 S CB -0.227 62.995 63.200 0.038 0.000 0.868 423 S HN 0.692 nan 8.310 nan 0.000 0.506 424 N N 1.526 120.255 118.700 0.049 0.000 2.235 424 N HA 0.115 4.854 4.740 -0.001 0.000 0.209 424 N C 0.804 176.225 175.510 -0.149 0.000 1.122 424 N CA 0.314 53.316 53.050 -0.080 0.000 0.845 424 N CB 0.666 38.958 38.487 -0.326 0.000 1.004 424 N HN 0.740 nan 8.380 nan 0.000 0.499 425 T N -4.076 110.472 114.554 -0.011 0.000 2.975 425 T HA 0.119 4.468 4.350 -0.001 0.000 0.261 425 T C 0.623 175.353 174.700 0.050 0.000 0.984 425 T CA 0.027 62.150 62.100 0.039 0.000 0.911 425 T CB 0.219 69.169 68.868 0.136 0.000 1.127 425 T HN 0.071 nan 8.240 nan 0.000 0.514 426 T N -0.349 114.224 114.554 0.033 0.000 2.843 426 T HA 0.576 4.926 4.350 -0.001 0.000 0.302 426 T C -3.253 171.439 174.700 -0.013 0.000 1.232 426 T CA -1.709 60.406 62.100 0.025 0.000 1.009 426 T CB 1.925 70.816 68.868 0.039 0.000 1.254 426 T HN -0.201 nan 8.240 nan 0.000 0.504 427 P HA 0.309 nan 4.420 nan 0.000 0.225 427 P C -0.178 177.097 177.300 -0.042 0.000 1.768 427 P CA -0.185 62.886 63.100 -0.049 0.000 0.943 427 P CB -0.518 31.166 31.700 -0.026 0.000 1.936 428 V N -1.311 118.578 119.914 -0.041 0.000 3.007 428 V HA 0.529 4.648 4.120 -0.001 0.000 0.311 428 V C -0.832 175.252 176.094 -0.016 0.000 1.120 428 V CA -1.413 60.880 62.300 -0.012 0.000 0.980 428 V CB 2.401 34.233 31.823 0.015 0.000 1.033 428 V HN -0.098 nan 8.190 nan 0.000 0.429 429 L N 3.267 124.497 121.223 0.012 0.000 2.326 429 L HA 0.672 5.012 4.340 -0.001 0.000 0.278 429 L C -0.444 176.441 176.870 0.026 0.000 1.092 429 L CA -0.709 54.148 54.840 0.028 0.000 0.810 429 L CB 1.604 43.703 42.059 0.066 0.000 1.153 429 L HN 0.556 nan 8.230 nan 0.000 0.439 430 V N 4.488 124.408 119.914 0.010 0.000 2.459 430 V HA 0.496 4.615 4.120 -0.001 0.000 0.295 430 V C -0.003 176.039 176.094 -0.087 0.000 1.029 430 V CA -0.566 61.721 62.300 -0.022 0.000 0.874 430 V CB 1.943 33.765 31.823 -0.002 0.000 0.985 430 V HN 0.438 nan 8.190 nan 0.000 0.438 431 L N 4.607 125.722 121.223 -0.179 0.000 2.354 431 L HA 0.741 5.080 4.340 -0.001 0.000 0.264 431 L C -0.321 176.235 176.870 -0.524 0.000 1.008 431 L CA -0.715 53.873 54.840 -0.420 0.000 0.819 431 L CB 2.335 44.060 42.059 -0.556 0.000 1.339 431 L HN 0.615 nan 8.230 nan 0.000 0.420 432 R N 1.113 121.110 120.500 -0.839 0.000 2.668 432 R HA 0.717 5.057 4.340 -0.001 0.000 0.272 432 R C -1.936 173.519 176.300 -1.409 0.000 1.019 432 R CA -0.550 55.078 56.100 -0.786 0.000 0.894 432 R CB 2.681 32.772 30.300 -0.349 0.000 1.228 432 R HN 0.414 nan 8.270 nan 0.000 0.460 433 F N 0.555 120.067 119.950 -0.730 0.000 2.588 433 F HA 0.444 4.970 4.527 -0.001 0.000 0.310 433 F C -0.158 175.129 175.800 -0.855 0.000 1.082 433 F CA -0.668 56.825 58.000 -0.846 0.000 0.929 433 F CB 2.446 41.121 39.000 -0.541 0.000 1.254 433 F HN 0.391 nan 8.300 nan 0.000 0.455 434 E N 1.601 121.309 120.200 -0.821 0.000 2.343 434 E HA 0.841 5.190 4.350 -0.001 0.000 0.278 434 E C -1.897 174.521 176.600 -0.304 0.000 0.910 434 E CA -0.770 55.304 56.400 -0.543 0.000 0.757 434 E CB 2.396 31.735 29.700 -0.601 0.000 1.218 434 E HN 0.864 nan 8.360 nan 0.000 0.435 435 A N 2.435 125.180 122.820 -0.125 0.000 2.599 435 A HA 0.394 4.713 4.320 -0.001 0.000 0.290 435 A C -0.780 176.801 177.584 -0.005 0.000 1.101 435 A CA -0.271 51.747 52.037 -0.031 0.000 0.674 435 A CB 1.210 20.192 19.000 -0.031 0.000 1.277 435 A HN 0.770 nan 8.150 nan 0.000 0.419 436 D N -0.351 120.061 120.400 0.020 0.000 2.348 436 D HA 0.137 4.776 4.640 -0.001 0.000 0.211 436 D C 0.681 176.985 176.300 0.007 0.000 0.998 436 D CA 1.364 55.376 54.000 0.020 0.000 0.873 436 D CB -0.082 40.738 40.800 0.035 0.000 0.925 436 D HN 0.722 nan 8.370 nan 0.000 0.524 437 T N -3.872 110.681 114.554 -0.002 0.000 2.896 437 T HA 0.336 4.685 4.350 -0.001 0.000 0.297 437 T C 0.659 175.345 174.700 -0.024 0.000 1.108 437 T CA -0.823 61.270 62.100 -0.010 0.000 1.004 437 T CB 2.440 71.303 68.868 -0.007 0.000 1.159 437 T HN -0.297 nan 8.240 nan 0.000 0.499 438 E N 0.901 121.085 120.200 -0.026 0.000 2.110 438 E HA -0.101 4.249 4.350 -0.001 0.000 0.193 438 E C 2.531 179.106 176.600 -0.040 0.000 0.988 438 E CA 1.836 58.215 56.400 -0.035 0.000 0.804 438 E CB -0.642 29.040 29.700 -0.029 0.000 0.745 438 E HN 0.951 nan 8.360 nan 0.000 0.458 439 E N 1.510 121.691 120.200 -0.032 0.000 2.058 439 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 439 E C 1.859 178.434 176.600 -0.042 0.000 0.997 439 E CA 1.764 58.144 56.400 -0.034 0.000 0.801 439 E CB -0.629 29.057 29.700 -0.024 0.000 0.746 439 E HN 0.253 nan 8.360 nan 0.000 0.450 440 E N -0.294 119.884 120.200 -0.037 0.000 2.106 440 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 440 E C 1.963 178.527 176.600 -0.060 0.000 0.984 440 E CA 0.980 57.356 56.400 -0.041 0.000 0.806 440 E CB -0.365 29.325 29.700 -0.016 0.000 0.750 440 E HN 0.416 nan 8.360 nan 0.000 0.458 441 L N 0.870 122.053 121.223 -0.068 0.000 2.042 441 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 441 L C 2.227 179.009 176.870 -0.147 0.000 1.076 441 L CA 2.122 56.898 54.840 -0.106 0.000 0.749 441 L CB -0.506 41.493 42.059 -0.100 0.000 0.893 441 L HN 0.176 nan 8.230 nan 0.000 0.432 442 E N -0.441 119.694 120.200 -0.108 0.000 2.107 442 E HA -0.220 4.130 4.350 -0.001 0.000 0.191 442 E C 2.394 178.939 176.600 -0.091 0.000 0.982 442 E CA 1.140 57.477 56.400 -0.105 0.000 0.809 442 E CB -0.217 29.439 29.700 -0.073 0.000 0.756 442 E HN 0.391 nan 8.360 nan 0.000 0.459 443 R N 0.042 120.496 120.500 -0.077 0.000 2.073 443 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 443 R C 2.308 178.578 176.300 -0.050 0.000 1.134 443 R CA 1.692 57.753 56.100 -0.066 0.000 0.952 443 R CB -0.341 29.910 30.300 -0.081 0.000 0.850 443 R HN 0.278 nan 8.270 nan 0.000 0.433 444 I N 0.764 121.297 120.570 -0.061 0.000 2.252 444 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 444 I C 2.269 178.446 176.117 0.100 0.000 1.102 444 I CA 1.336 62.676 61.300 0.066 0.000 1.385 444 I CB -0.204 37.868 38.000 0.119 0.000 1.064 444 I HN 0.145 nan 8.210 nan 0.000 0.414 445 K N 0.240 120.482 120.400 -0.262 0.000 2.113 445 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 445 K C 2.098 178.760 176.600 0.104 0.000 1.047 445 K CA 1.959 58.025 56.287 -0.368 0.000 0.928 445 K CB -0.307 31.954 32.500 -0.398 0.000 0.716 445 K HN 0.295 nan 8.250 nan 0.000 0.446 446 T N 0.717 115.301 114.554 0.051 0.000 2.777 446 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 446 T C 1.947 176.730 174.700 0.139 0.000 1.040 446 T CA 1.018 63.153 62.100 0.058 0.000 1.141 446 T CB -0.103 68.766 68.868 0.001 0.000 0.868 446 T HN -0.054 nan 8.240 nan 0.000 0.444 447 V N 0.840 120.878 119.914 0.206 0.000 2.287 447 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 447 V C 2.108 178.398 176.094 0.327 0.000 1.053 447 V CA 1.767 64.214 62.300 0.244 0.000 1.027 447 V CB -0.702 31.331 31.823 0.352 0.000 0.646 447 V HN 0.397 nan 8.190 nan 0.000 0.447 448 F N -0.101 120.093 119.950 0.407 0.000 2.206 448 F HA -0.027 4.499 4.527 -0.001 0.000 0.298 448 F C 2.565 178.633 175.800 0.447 0.000 1.090 448 F CA 1.586 59.931 58.000 0.574 0.000 1.323 448 F CB -0.492 38.947 39.000 0.732 0.000 1.028 448 F HN -0.050 nan 8.300 nan 0.000 0.492 449 R N 0.496 121.317 120.500 0.534 0.000 2.083 449 R HA -0.185 4.155 4.340 -0.001 0.000 0.237 449 R C 1.886 178.252 176.300 0.109 0.000 1.137 449 R CA 1.832 58.060 56.100 0.214 0.000 0.951 449 R CB -0.311 29.956 30.300 -0.055 0.000 0.851 449 R HN 0.204 nan 8.270 nan 0.000 0.434 450 N N 0.236 118.979 118.700 0.072 0.000 2.270 450 N HA -0.119 4.620 4.740 -0.001 0.000 0.181 450 N C 1.699 177.178 175.510 -0.051 0.000 1.016 450 N CA 0.882 53.928 53.050 -0.006 0.000 0.870 450 N CB -0.132 38.339 38.487 -0.028 0.000 0.979 450 N HN 0.250 nan 8.380 nan 0.000 0.431 451 Q N 0.630 120.376 119.800 -0.091 0.000 2.123 451 Q HA 0.086 4.426 4.340 -0.001 0.000 0.199 451 Q C 2.322 178.286 176.000 -0.061 0.000 0.966 451 Q CA 0.528 56.196 55.803 -0.226 0.000 0.845 451 Q CB -0.397 27.959 28.738 -0.636 0.000 0.907 451 Q HN 0.404 nan 8.270 nan 0.000 0.439 452 L N 0.555 121.827 121.223 0.082 0.000 2.046 452 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 452 L C 2.252 179.160 176.870 0.063 0.000 1.077 452 L CA 1.039 55.956 54.840 0.127 0.000 0.747 452 L CB -0.330 41.867 42.059 0.231 0.000 0.896 452 L HN 0.078 nan 8.230 nan 0.000 0.432 453 K N 0.118 120.541 120.400 0.037 0.000 2.148 453 K HA -0.059 4.260 4.320 -0.001 0.000 0.204 453 K C 2.129 178.724 176.600 -0.009 0.000 1.050 453 K CA 1.307 57.600 56.287 0.009 0.000 0.942 453 K CB -0.428 32.066 32.500 -0.008 0.000 0.724 453 K HN 0.271 nan 8.250 nan 0.000 0.446 454 A N 0.872 123.675 122.820 -0.028 0.000 1.972 454 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 454 A C 2.459 180.028 177.584 -0.026 0.000 1.169 454 A CA 1.353 53.364 52.037 -0.043 0.000 0.635 454 A CB -0.434 18.516 19.000 -0.084 0.000 0.810 454 A HN 0.057 nan 8.150 nan 0.000 0.446 455 V N -0.184 119.724 119.914 -0.010 0.000 2.323 455 V HA -0.034 4.086 4.120 -0.001 0.000 0.244 455 V C 0.572 176.676 176.094 0.016 0.000 1.041 455 V CA 1.898 64.203 62.300 0.009 0.000 1.025 455 V CB -0.305 31.538 31.823 0.033 0.000 0.656 455 V HN 0.657 nan 8.190 nan 0.000 0.451 456 D N -1.547 118.865 120.400 0.021 0.000 2.375 456 D HA 0.163 4.802 4.640 -0.001 0.000 0.241 456 D C 0.908 177.218 176.300 0.017 0.000 1.361 456 D CA 0.453 54.466 54.000 0.020 0.000 0.995 456 D CB 1.563 42.381 40.800 0.029 0.000 1.312 456 D HN 0.150 nan 8.370 nan 0.000 0.576 457 S N 1.425 117.129 115.700 0.006 0.000 2.469 457 S HA -0.164 4.306 4.470 -0.001 0.000 0.238 457 S C 1.656 176.257 174.600 0.001 0.000 0.998 457 S CA 1.170 59.370 58.200 0.000 0.000 0.957 457 S CB -0.247 62.949 63.200 -0.006 0.000 0.764 457 S HN 0.372 nan 8.310 nan 0.000 0.514 458 S N 0.437 116.141 115.700 0.007 0.000 2.528 458 S HA 0.247 4.716 4.470 -0.001 0.000 0.219 458 S C 0.537 175.146 174.600 0.015 0.000 0.985 458 S CA -0.492 57.713 58.200 0.008 0.000 0.914 458 S CB -0.596 62.610 63.200 0.009 0.000 0.776 458 S HN 0.303 nan 8.310 nan 0.000 0.526 459 L N 3.913 125.151 121.223 0.025 0.000 2.540 459 L HA 0.329 4.668 4.340 -0.001 0.000 0.276 459 L C -2.185 174.706 176.870 0.034 0.000 1.212 459 L CA -1.733 53.131 54.840 0.041 0.000 0.893 459 L CB -0.231 41.867 42.059 0.065 0.000 1.138 459 L HN 0.151 nan 8.230 nan 0.000 0.491 460 P HA 0.143 nan 4.420 nan 0.000 0.271 460 P C -0.917 176.406 177.300 0.039 0.000 1.218 460 P CA -0.159 62.958 63.100 0.028 0.000 0.780 460 P CB 0.718 32.442 31.700 0.041 0.000 0.901 461 V N -0.062 119.823 119.914 -0.047 0.000 2.383 461 V HA 0.354 4.474 4.120 -0.001 0.000 0.264 461 V C -2.227 173.701 176.094 -0.277 0.000 1.001 461 V CA -1.708 60.468 62.300 -0.207 0.000 0.828 461 V CB 1.148 32.738 31.823 -0.387 0.000 1.069 461 V HN 0.401 nan 8.190 nan 0.000 0.451 462 P HA 0.359 nan 4.420 nan 0.000 0.228 462 P C -0.484 176.911 177.300 0.159 0.000 1.764 462 P CA 0.082 63.210 63.100 0.047 0.000 0.929 462 P CB -0.595 31.171 31.700 0.110 0.000 1.675 463 F N 0.000 119.963 119.950 0.021 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 463 F CB 0.000 39.018 39.000 0.030 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574