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 2h5a_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 0.000 176.960 176.870 0.149 0.000 1.165 9 L CA 0.000 54.916 54.840 0.126 0.000 0.813 9 L CB 0.000 42.204 42.059 0.241 0.000 0.961 10 P HA 0.193 nan 4.420 nan 0.000 0.271 10 P C 0.285 177.743 177.300 0.264 0.000 1.216 10 P CA -0.308 62.883 63.100 0.153 0.000 0.771 10 P CB 1.513 33.278 31.700 0.108 0.000 0.864 11 A N 2.997 125.935 122.820 0.196 0.000 2.015 11 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 11 A C 2.152 179.915 177.584 0.298 0.000 1.163 11 A CA 1.562 53.742 52.037 0.239 0.000 0.646 11 A CB -1.090 17.967 19.000 0.096 0.000 0.806 11 A HN 0.666 nan 8.150 nan 0.000 0.448 12 S N 0.815 116.627 115.700 0.188 0.000 2.423 12 S HA -0.151 4.318 4.470 -0.001 0.000 0.231 12 S C 1.770 176.438 174.600 0.113 0.000 1.014 12 S CA 1.163 59.443 58.200 0.133 0.000 0.965 12 S CB -0.951 62.300 63.200 0.084 0.000 0.785 12 S HN 0.865 nan 8.310 nan 0.000 0.495 13 I N -2.703 117.915 120.570 0.081 0.000 2.928 13 I HA 0.280 4.449 4.170 -0.001 0.000 0.266 13 I C -0.260 175.739 176.117 -0.197 0.000 1.234 13 I CA 0.138 61.387 61.300 -0.085 0.000 1.483 13 I CB -0.501 37.381 38.000 -0.196 0.000 1.097 13 I HN 0.018 nan 8.210 nan 0.000 0.455 14 F N 4.350 124.340 119.950 0.067 0.000 2.377 14 F HA 0.438 4.965 4.527 -0.001 0.000 0.360 14 F C 0.735 176.562 175.800 0.045 0.000 1.147 14 F CA -0.578 57.456 58.000 0.058 0.000 1.170 14 F CB 0.150 39.173 39.000 0.037 0.000 1.339 14 F HN -0.026 nan 8.300 nan 0.000 0.552 15 R N 1.392 121.973 120.500 0.136 0.000 2.719 15 R HA 0.655 4.994 4.340 -0.001 0.000 0.233 15 R C 1.108 177.416 176.300 0.012 0.000 1.257 15 R CA -0.368 55.766 56.100 0.056 0.000 1.109 15 R CB 0.085 30.386 30.300 0.002 0.000 1.447 15 R HN 0.509 nan 8.270 nan 0.000 0.537 16 A N 0.301 123.042 122.820 -0.132 0.000 1.902 16 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 16 A C 1.304 178.885 177.584 -0.005 0.000 1.181 16 A CA 1.550 53.498 52.037 -0.149 0.000 0.623 16 A CB -0.521 18.296 19.000 -0.305 0.000 0.818 16 A HN 0.636 nan 8.150 nan 0.000 0.443 17 Y N -0.199 120.124 120.300 0.037 0.000 2.524 17 Y HA 0.303 4.852 4.550 -0.001 0.000 0.270 17 Y C 0.268 176.197 175.900 0.049 0.000 1.094 17 Y CA -0.569 57.501 58.100 -0.050 0.000 1.276 17 Y CB -0.022 38.330 38.460 -0.180 0.000 1.130 17 Y HN 0.603 nan 8.280 nan 0.000 0.536 18 D N -1.674 118.873 120.400 0.246 0.000 2.879 18 D HA 0.264 4.903 4.640 -0.001 0.000 0.346 18 D C -1.310 175.095 176.300 0.176 0.000 1.390 18 D CA -0.657 53.495 54.000 0.254 0.000 0.838 18 D CB 0.583 41.597 40.800 0.356 0.000 1.416 18 D HN -0.131 nan 8.370 nan 0.000 0.493 19 I N -0.241 120.434 120.570 0.176 0.000 2.377 19 I HA 0.597 4.767 4.170 -0.001 0.000 0.293 19 I C -0.565 175.630 176.117 0.130 0.000 0.987 19 I CA -0.713 60.629 61.300 0.071 0.000 1.185 19 I CB 1.213 39.212 38.000 -0.002 0.000 1.341 19 I HN 0.359 nan 8.210 nan 0.000 0.455 20 R N 4.372 124.908 120.500 0.060 0.000 2.548 20 R HA 0.877 5.217 4.340 -0.001 0.000 0.280 20 R C -0.773 175.558 176.300 0.051 0.000 1.061 20 R CA -0.969 55.182 56.100 0.085 0.000 0.915 20 R CB 1.868 32.244 30.300 0.127 0.000 1.210 20 R HN 0.724 nan 8.270 nan 0.000 0.442 21 G N 0.646 109.467 108.800 0.035 0.000 2.663 21 G HA2 0.533 4.493 3.960 -0.001 0.000 0.299 21 G HA3 0.533 4.493 3.960 -0.001 0.000 0.299 21 G C -1.679 173.120 174.900 -0.169 0.000 1.372 21 G CA -0.764 44.311 45.100 -0.042 0.000 0.781 21 G HN 0.308 nan 8.290 nan 0.000 0.491 22 V N 0.630 120.392 119.914 -0.254 0.000 2.384 22 V HA 0.423 4.542 4.120 -0.001 0.000 0.287 22 V C 0.308 176.301 176.094 -0.169 0.000 1.020 22 V CA -0.671 61.407 62.300 -0.371 0.000 0.850 22 V CB 1.353 32.886 31.823 -0.484 0.000 0.987 22 V HN 0.576 nan 8.190 nan 0.000 0.436 23 V N 4.889 124.729 119.914 -0.123 0.000 2.585 23 V HA 0.458 4.578 4.120 -0.001 0.000 0.296 23 V C 1.486 177.551 176.094 -0.048 0.000 1.035 23 V CA 1.473 63.739 62.300 -0.056 0.000 1.084 23 V CB 0.375 32.177 31.823 -0.036 0.000 0.953 23 V HN 1.270 nan 8.190 nan 0.000 0.483 24 G N 3.358 112.144 108.800 -0.022 0.000 2.253 24 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.251 24 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.251 24 G C 0.411 175.300 174.900 -0.018 0.000 0.998 24 G CA 0.652 45.743 45.100 -0.015 0.000 0.621 24 G HN 0.751 nan 8.290 nan 0.000 0.524 25 D N -0.535 119.844 120.400 -0.035 0.000 2.970 25 D HA 0.167 4.806 4.640 -0.001 0.000 0.236 25 D C 2.598 178.889 176.300 -0.015 0.000 1.415 25 D CA 2.182 56.163 54.000 -0.031 0.000 1.279 25 D CB -0.542 40.223 40.800 -0.059 0.000 0.932 25 D HN 0.353 nan 8.370 nan 0.000 0.216 26 T N -0.895 113.641 114.554 -0.031 0.000 3.088 26 T HA 0.190 4.540 4.350 -0.001 0.000 0.259 26 T C 0.973 175.683 174.700 0.017 0.000 1.122 26 T CA 0.087 62.184 62.100 -0.004 0.000 1.095 26 T CB 0.149 69.008 68.868 -0.015 0.000 0.930 26 T HN 0.076 nan 8.240 nan 0.000 0.508 27 L N 2.285 123.513 121.223 0.008 0.000 2.356 27 L HA 0.597 4.936 4.340 -0.001 0.000 0.277 27 L C -0.338 176.564 176.870 0.053 0.000 0.996 27 L CA -0.545 54.324 54.840 0.048 0.000 0.822 27 L CB 2.152 44.232 42.059 0.036 0.000 1.256 27 L HN 0.353 nan 8.230 nan 0.000 0.413 28 T N -0.015 114.594 114.554 0.091 0.000 2.864 28 T HA 0.546 4.896 4.350 -0.001 0.000 0.289 28 T C 0.907 175.677 174.700 0.117 0.000 1.082 28 T CA -0.003 62.148 62.100 0.085 0.000 1.009 28 T CB 1.709 70.627 68.868 0.084 0.000 1.234 28 T HN 0.510 nan 8.240 nan 0.000 0.526 29 A N 0.139 123.015 122.820 0.095 0.000 1.908 29 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 29 A C 2.172 179.840 177.584 0.140 0.000 1.181 29 A CA 2.207 54.305 52.037 0.102 0.000 0.627 29 A CB -1.266 17.771 19.000 0.062 0.000 0.818 29 A HN 1.011 nan 8.150 nan 0.000 0.445 30 E N -0.760 119.530 120.200 0.150 0.000 2.110 30 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 30 E C 1.966 178.775 176.600 0.348 0.000 0.988 30 E CA 1.654 58.189 56.400 0.224 0.000 0.804 30 E CB -0.152 29.688 29.700 0.233 0.000 0.745 30 E HN 0.631 nan 8.360 nan 0.000 0.458 31 T N 0.696 115.418 114.554 0.281 0.000 2.708 31 T HA -0.157 4.193 4.350 -0.001 0.000 0.266 31 T C 1.948 176.782 174.700 0.223 0.000 1.037 31 T CA 1.394 63.659 62.100 0.274 0.000 1.146 31 T CB -0.386 68.603 68.868 0.202 0.000 0.865 31 T HN 0.322 nan 8.240 nan 0.000 0.435 32 A N 0.679 123.642 122.820 0.239 0.000 1.908 32 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 32 A C 2.099 179.735 177.584 0.085 0.000 1.181 32 A CA 1.733 53.919 52.037 0.248 0.000 0.627 32 A CB -1.116 18.099 19.000 0.358 0.000 0.818 32 A HN 0.597 nan 8.150 nan 0.000 0.445 33 Y N -1.048 119.229 120.300 -0.037 0.000 2.097 33 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 33 Y C 2.112 177.835 175.900 -0.295 0.000 1.152 33 Y CA 2.142 60.104 58.100 -0.230 0.000 1.136 33 Y CB -0.530 37.689 38.460 -0.402 0.000 0.975 33 Y HN 0.449 nan 8.280 nan 0.000 0.498 34 W N 0.029 121.349 121.300 0.034 0.000 2.436 34 W HA -0.085 4.574 4.660 -0.001 0.000 0.284 34 W C 2.297 178.736 176.519 -0.135 0.000 1.225 34 W CA 1.042 58.356 57.345 -0.052 0.000 1.271 34 W CB -0.334 29.182 29.460 0.093 0.000 1.114 34 W HN 0.039 nan 8.180 nan 0.000 0.559 35 I N 0.225 120.805 120.570 0.017 0.000 2.226 35 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 35 I C 2.732 178.717 176.117 -0.220 0.000 1.100 35 I CA 1.576 62.775 61.300 -0.169 0.000 1.374 35 I CB -1.144 36.513 38.000 -0.572 0.000 1.057 35 I HN 0.075 nan 8.210 nan 0.000 0.413 36 G N 0.794 109.437 108.800 -0.262 0.000 2.476 36 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 36 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 36 G C 1.788 176.535 174.900 -0.256 0.000 1.164 36 G CA 0.492 45.444 45.100 -0.247 0.000 0.768 36 G HN 0.165 nan 8.290 nan 0.000 0.560 37 R N 0.733 121.017 120.500 -0.361 0.000 2.091 37 R HA -0.008 4.332 4.340 -0.001 0.000 0.238 37 R C 2.962 179.220 176.300 -0.070 0.000 1.136 37 R CA 1.384 57.339 56.100 -0.242 0.000 0.959 37 R CB -1.138 29.036 30.300 -0.209 0.000 0.856 37 R HN 0.373 nan 8.270 nan 0.000 0.437 38 A N 0.934 123.742 122.820 -0.021 0.000 1.898 38 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 38 A C 2.338 179.915 177.584 -0.012 0.000 1.181 38 A CA 1.131 53.174 52.037 0.010 0.000 0.620 38 A CB -0.455 18.568 19.000 0.039 0.000 0.819 38 A HN 0.198 nan 8.150 nan 0.000 0.442 39 I N -0.282 120.265 120.570 -0.037 0.000 2.252 39 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 39 I C 2.714 178.817 176.117 -0.024 0.000 1.102 39 I CA 1.084 62.370 61.300 -0.024 0.000 1.385 39 I CB -0.633 37.348 38.000 -0.031 0.000 1.064 39 I HN 0.387 nan 8.210 nan 0.000 0.414 40 G N 0.107 108.879 108.800 -0.046 0.000 2.440 40 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.218 40 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.218 40 G C 1.763 176.648 174.900 -0.024 0.000 1.154 40 G CA 1.075 46.150 45.100 -0.041 0.000 0.767 40 G HN 0.368 nan 8.290 nan 0.000 0.552 41 S N 0.500 116.188 115.700 -0.020 0.000 2.356 41 S HA -0.107 4.362 4.470 -0.001 0.000 0.223 41 S C 2.196 176.794 174.600 -0.003 0.000 1.032 41 S CA 1.571 59.768 58.200 -0.006 0.000 1.005 41 S CB -0.229 62.974 63.200 0.004 0.000 0.867 41 S HN 0.474 nan 8.310 nan 0.000 0.449 42 E N 1.600 121.799 120.200 -0.002 0.000 2.077 42 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 42 E C 2.185 178.785 176.600 0.001 0.000 0.989 42 E CA 1.328 57.730 56.400 0.002 0.000 0.800 42 E CB -0.616 29.088 29.700 0.008 0.000 0.746 42 E HN 0.299 nan 8.360 nan 0.000 0.452 43 S N -0.722 114.977 115.700 -0.001 0.000 2.359 43 S HA -0.105 4.365 4.470 -0.001 0.000 0.224 43 S C 1.920 176.518 174.600 -0.004 0.000 1.035 43 S CA 1.290 59.489 58.200 -0.002 0.000 1.018 43 S CB -0.362 62.836 63.200 -0.004 0.000 0.876 43 S HN 0.343 nan 8.310 nan 0.000 0.448 44 L N 1.045 122.264 121.223 -0.006 0.000 2.042 44 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 44 L C 2.861 179.729 176.870 -0.003 0.000 1.076 44 L CA 1.262 56.099 54.840 -0.005 0.000 0.749 44 L CB -0.667 41.388 42.059 -0.006 0.000 0.893 44 L HN 0.393 nan 8.230 nan 0.000 0.432 45 A N 0.036 122.855 122.820 -0.002 0.000 1.978 45 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 45 A C 2.197 179.780 177.584 -0.002 0.000 1.170 45 A CA 1.389 53.425 52.037 -0.001 0.000 0.636 45 A CB -0.429 18.570 19.000 -0.001 0.000 0.810 45 A HN 0.390 nan 8.150 nan 0.000 0.448 46 R N -1.324 119.176 120.500 -0.001 0.000 2.334 46 R HA 0.233 4.572 4.340 -0.001 0.000 0.220 46 R C 1.033 177.331 176.300 -0.003 0.000 0.917 46 R CA 0.473 56.572 56.100 -0.002 0.000 1.073 46 R CB -0.094 30.206 30.300 0.000 0.000 1.056 46 R HN 0.670 nan 8.270 nan 0.000 0.506 47 G N 1.987 110.785 108.800 -0.004 0.000 2.137 47 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.237 47 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.237 47 G C -0.279 174.618 174.900 -0.006 0.000 1.002 47 G CA 0.190 45.287 45.100 -0.005 0.000 0.702 47 G HN 0.338 nan 8.290 nan 0.000 0.515 48 E N 0.423 120.619 120.200 -0.006 0.000 2.255 48 E HA 0.573 4.922 4.350 -0.001 0.000 0.245 48 E C -1.205 175.389 176.600 -0.009 0.000 0.909 48 E CA -2.284 54.111 56.400 -0.008 0.000 0.747 48 E CB 1.550 31.245 29.700 -0.007 0.000 1.215 48 E HN 0.114 nan 8.360 nan 0.000 0.424 49 P HA 0.083 nan 4.420 nan 0.000 0.240 49 P C -0.202 177.090 177.300 -0.013 0.000 1.190 49 P CA -0.021 63.072 63.100 -0.011 0.000 0.781 49 P CB 0.293 31.988 31.700 -0.010 0.000 0.931 50 C N 1.153 120.445 119.300 -0.014 0.000 2.273 50 C HA 0.531 4.990 4.460 -0.001 0.000 0.328 50 C C 0.211 175.190 174.990 -0.018 0.000 1.275 50 C CA -0.413 58.594 59.018 -0.017 0.000 1.704 50 C CB 0.537 28.265 27.740 -0.020 0.000 2.326 50 C HN -0.009 nan 8.230 nan 0.000 0.517 51 V N 3.503 123.407 119.914 -0.017 0.000 2.577 51 V HA 0.697 4.817 4.120 -0.001 0.000 0.303 51 V C 0.318 176.403 176.094 -0.015 0.000 1.042 51 V CA -0.390 61.902 62.300 -0.013 0.000 0.872 51 V CB 1.548 33.366 31.823 -0.009 0.000 0.998 51 V HN 1.008 nan 8.190 nan 0.000 0.423 52 A N 4.334 127.143 122.820 -0.017 0.000 2.316 52 A HA 0.852 5.172 4.320 -0.001 0.000 0.284 52 A C -0.540 177.038 177.584 -0.010 0.000 1.115 52 A CA -0.414 51.610 52.037 -0.022 0.000 0.812 52 A CB 1.113 20.089 19.000 -0.040 0.000 1.064 52 A HN 0.797 nan 8.150 nan 0.000 0.489 53 V N 1.278 121.184 119.914 -0.013 0.000 2.577 53 V HA 0.722 4.841 4.120 -0.001 0.000 0.303 53 V C 0.523 176.603 176.094 -0.024 0.000 1.042 53 V CA 0.095 62.393 62.300 -0.004 0.000 0.872 53 V CB 1.811 33.641 31.823 0.010 0.000 0.998 53 V HN 1.320 nan 8.190 nan 0.000 0.423 54 G N 3.752 112.531 108.800 -0.036 0.000 2.605 54 G HA2 0.880 4.840 3.960 -0.001 0.000 0.296 54 G HA3 0.880 4.840 3.960 -0.001 0.000 0.296 54 G C -1.140 173.721 174.900 -0.065 0.000 1.304 54 G CA -0.943 44.118 45.100 -0.064 0.000 0.941 54 G HN 0.868 nan 8.290 nan 0.000 0.475 55 R N -0.451 120.006 120.500 -0.073 0.000 2.774 55 R HA 0.629 4.969 4.340 -0.001 0.000 0.272 55 R C -0.980 175.275 176.300 -0.075 0.000 1.000 55 R CA -0.835 55.219 56.100 -0.076 0.000 0.906 55 R CB 1.680 31.943 30.300 -0.063 0.000 1.227 55 R HN 0.548 nan 8.270 nan 0.000 0.468 56 D N 0.838 121.198 120.400 -0.068 0.000 2.430 56 D HA 0.174 4.813 4.640 -0.001 0.000 0.285 56 D C 0.710 176.992 176.300 -0.031 0.000 1.210 56 D CA -0.324 53.651 54.000 -0.042 0.000 1.080 56 D CB -0.102 40.690 40.800 -0.012 0.000 1.134 56 D HN 0.681 nan 8.370 nan 0.000 0.562 57 G N -1.327 107.471 108.800 -0.004 0.000 3.609 57 G HA2 0.130 4.089 3.960 -0.001 0.000 0.280 57 G HA3 0.130 4.089 3.960 -0.001 0.000 0.280 57 G C 0.292 175.144 174.900 -0.080 0.000 1.155 57 G CA -0.482 44.598 45.100 -0.034 0.000 0.876 57 G HN 0.161 nan 8.290 nan 0.000 0.535 58 R N -0.396 120.070 120.500 -0.055 0.000 2.615 58 R HA 0.340 4.680 4.340 -0.001 0.000 0.270 58 R C 1.330 177.572 176.300 -0.096 0.000 1.081 58 R CA -0.561 55.488 56.100 -0.085 0.000 1.154 58 R CB 0.973 31.268 30.300 -0.008 0.000 1.063 58 R HN 0.099 nan 8.270 nan 0.000 0.519 59 L N 0.724 121.880 121.223 -0.112 0.000 2.079 59 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 59 L C 2.093 178.929 176.870 -0.057 0.000 1.081 59 L CA 1.637 56.424 54.840 -0.088 0.000 0.752 59 L CB -0.429 41.579 42.059 -0.086 0.000 0.896 59 L HN 0.724 nan 8.230 nan 0.000 0.433 60 S N -0.690 114.981 115.700 -0.047 0.000 2.562 60 S HA 0.043 4.512 4.470 -0.001 0.000 0.221 60 S C 1.995 176.570 174.600 -0.041 0.000 0.975 60 S CA 0.265 58.443 58.200 -0.037 0.000 0.918 60 S CB -0.264 62.917 63.200 -0.032 0.000 0.772 60 S HN 0.398 nan 8.310 nan 0.000 0.531 61 G N 3.400 112.169 108.800 -0.050 0.000 2.514 61 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.217 61 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.217 61 G C -0.655 174.223 174.900 -0.037 0.000 1.198 61 G CA 1.150 46.217 45.100 -0.054 0.000 0.780 61 G HN 0.510 nan 8.290 nan 0.000 0.565 62 P HA -0.084 nan 4.420 nan 0.000 0.215 62 P C 1.666 178.960 177.300 -0.010 0.000 1.157 62 P CA 1.602 64.689 63.100 -0.021 0.000 0.874 62 P CB -0.027 31.659 31.700 -0.023 0.000 0.790 63 E N -0.415 119.780 120.200 -0.009 0.000 2.051 63 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 63 E C 1.918 178.530 176.600 0.020 0.000 0.991 63 E CA 1.009 57.411 56.400 0.004 0.000 0.799 63 E CB -0.434 29.268 29.700 0.003 0.000 0.748 63 E HN 0.140 nan 8.360 nan 0.000 0.449 64 L N 0.253 121.487 121.223 0.017 0.000 2.131 64 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 64 L C 2.611 179.520 176.870 0.066 0.000 1.087 64 L CA 0.341 55.211 54.840 0.050 0.000 0.767 64 L CB -0.338 41.733 42.059 0.020 0.000 0.917 64 L HN 0.122 nan 8.230 nan 0.000 0.441 65 V N 0.626 120.556 119.914 0.027 0.000 2.427 65 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 65 V C 2.696 178.815 176.094 0.042 0.000 1.051 65 V CA 1.955 64.275 62.300 0.034 0.000 1.048 65 V CB -0.100 31.723 31.823 0.000 0.000 0.666 65 V HN 0.404 nan 8.190 nan 0.000 0.456 66 K N -0.088 120.332 120.400 0.032 0.000 2.063 66 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 66 K C 2.100 178.731 176.600 0.052 0.000 1.048 66 K CA 1.806 58.111 56.287 0.030 0.000 0.928 66 K CB -0.368 32.144 32.500 0.019 0.000 0.713 66 K HN 0.445 nan 8.250 nan 0.000 0.442 67 Q N 0.096 119.941 119.800 0.075 0.000 2.123 67 Q HA -0.087 4.252 4.340 -0.001 0.000 0.199 67 Q C 2.100 178.163 176.000 0.105 0.000 0.966 67 Q CA 1.135 57.011 55.803 0.122 0.000 0.845 67 Q CB -0.502 28.317 28.738 0.135 0.000 0.907 67 Q HN 0.346 nan 8.270 nan 0.000 0.439 68 L N 0.628 121.910 121.223 0.099 0.000 2.017 68 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 68 L C 2.095 178.968 176.870 0.005 0.000 1.073 68 L CA 1.504 56.388 54.840 0.075 0.000 0.745 68 L CB -0.641 41.539 42.059 0.201 0.000 0.894 68 L HN 0.095 nan 8.230 nan 0.000 0.432 69 I N -0.661 119.924 120.570 0.025 0.000 2.208 69 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 69 I C 2.581 178.691 176.117 -0.012 0.000 1.097 69 I CA 1.528 62.830 61.300 0.003 0.000 1.363 69 I CB -0.348 37.659 38.000 0.011 0.000 1.051 69 I HN 0.407 nan 8.210 nan 0.000 0.413 70 Q N 1.141 120.955 119.800 0.023 0.000 2.124 70 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 70 Q C 2.125 178.114 176.000 -0.018 0.000 0.977 70 Q CA 2.045 57.886 55.803 0.062 0.000 0.850 70 Q CB -0.649 28.179 28.738 0.150 0.000 0.901 70 Q HN 0.496 nan 8.270 nan 0.000 0.429 71 G N 0.127 108.769 108.800 -0.263 0.000 2.418 71 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 71 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 71 G C 1.312 175.990 174.900 -0.370 0.000 1.158 71 G CA 0.948 45.590 45.100 -0.764 0.000 0.771 71 G HN 0.381 nan 8.290 nan 0.000 0.545 72 L N 0.118 121.221 121.223 -0.200 0.000 2.056 72 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 72 L C 2.994 179.816 176.870 -0.080 0.000 1.078 72 L CA 0.407 55.178 54.840 -0.115 0.000 0.749 72 L CB -0.514 41.505 42.059 -0.067 0.000 0.901 72 L HN 0.074 nan 8.230 nan 0.000 0.433 73 V N -0.309 119.569 119.914 -0.060 0.000 2.407 73 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 73 V C 1.753 177.831 176.094 -0.027 0.000 1.055 73 V CA 1.817 64.099 62.300 -0.030 0.000 1.049 73 V CB -0.519 31.297 31.823 -0.011 0.000 0.662 73 V HN 0.429 nan 8.190 nan 0.000 0.455 74 D N -1.186 119.192 120.400 -0.037 0.000 2.378 74 D HA -0.065 4.574 4.640 -0.001 0.000 0.227 74 D C 1.792 178.076 176.300 -0.027 0.000 1.012 74 D CA 0.713 54.705 54.000 -0.014 0.000 0.905 74 D CB -0.202 40.616 40.800 0.030 0.000 0.895 74 D HN 0.466 nan 8.370 nan 0.000 0.532 75 C N -0.880 118.391 119.300 -0.048 0.000 2.563 75 C HA 0.346 4.806 4.460 -0.001 0.000 0.268 75 C C 1.919 176.900 174.990 -0.016 0.000 1.365 75 C CA 0.522 59.522 59.018 -0.031 0.000 1.754 75 C CB -0.422 27.291 27.740 -0.045 0.000 1.932 75 C HN 0.530 nan 8.230 nan 0.000 0.536 76 G N -0.720 108.070 108.800 -0.016 0.000 2.163 76 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.213 76 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.213 76 G C 0.060 174.952 174.900 -0.013 0.000 0.991 76 G CA -0.004 45.090 45.100 -0.010 0.000 0.653 76 G HN 0.469 nan 8.290 nan 0.000 0.518 77 C N 0.913 120.201 119.300 -0.020 0.000 2.657 77 C HA 0.536 4.995 4.460 -0.001 0.000 0.404 77 C C 0.911 175.891 174.990 -0.016 0.000 1.291 77 C CA -0.013 58.993 59.018 -0.019 0.000 2.218 77 C CB 0.771 28.496 27.740 -0.026 0.000 2.687 77 C HN 0.595 nan 8.230 nan 0.000 0.634 78 Q N 1.314 121.105 119.800 -0.015 0.000 2.390 78 Q HA 0.444 4.784 4.340 -0.001 0.000 0.249 78 Q C -0.627 175.364 176.000 -0.015 0.000 0.996 78 Q CA -0.109 55.686 55.803 -0.013 0.000 0.899 78 Q CB 0.902 29.633 28.738 -0.012 0.000 1.216 78 Q HN 0.577 nan 8.270 nan 0.000 0.465 79 V N 2.044 121.949 119.914 -0.014 0.000 2.509 79 V HA 0.249 4.368 4.120 -0.001 0.000 0.284 79 V C 0.067 176.153 176.094 -0.014 0.000 1.047 79 V CA -0.424 61.867 62.300 -0.014 0.000 0.952 79 V CB 1.742 33.557 31.823 -0.013 0.000 0.988 79 V HN 0.661 nan 8.190 nan 0.000 0.469 80 S N 2.921 118.612 115.700 -0.016 0.000 2.461 80 S HA 0.226 4.695 4.470 -0.001 0.000 0.322 80 S C -0.387 174.203 174.600 -0.017 0.000 1.063 80 S CA -0.481 57.709 58.200 -0.017 0.000 1.120 80 S CB 0.542 63.727 63.200 -0.023 0.000 0.968 80 S HN 0.857 nan 8.310 nan 0.000 0.467 81 D N 2.978 123.370 120.400 -0.014 0.000 2.365 81 D HA 0.140 4.780 4.640 -0.001 0.000 0.237 81 D C 0.984 177.274 176.300 -0.017 0.000 1.190 81 D CA -0.619 53.373 54.000 -0.014 0.000 0.867 81 D CB 0.807 41.601 40.800 -0.010 0.000 1.050 81 D HN 0.320 nan 8.370 nan 0.000 0.491 82 V N 2.131 122.031 119.914 -0.024 0.000 3.633 82 V HA 0.452 4.572 4.120 -0.001 0.000 0.283 82 V C 1.263 177.338 176.094 -0.032 0.000 1.305 82 V CA 0.510 62.794 62.300 -0.026 0.000 1.153 82 V CB -0.846 30.957 31.823 -0.033 0.000 0.950 82 V HN 0.704 nan 8.190 nan 0.000 0.432 83 G N 1.041 109.823 108.800 -0.030 0.000 2.528 83 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.262 83 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.262 83 G C -0.123 174.751 174.900 -0.044 0.000 1.200 83 G CA 0.348 45.429 45.100 -0.032 0.000 0.951 83 G HN 0.794 nan 8.290 nan 0.000 0.566 84 M N 1.365 120.938 119.600 -0.044 0.000 2.077 84 M HA 0.556 5.036 4.480 -0.001 0.000 0.348 84 M C 0.206 176.467 176.300 -0.065 0.000 1.252 84 M CA -0.578 54.691 55.300 -0.052 0.000 1.096 84 M CB 0.403 32.977 32.600 -0.042 0.000 1.568 84 M HN 1.372 nan 8.290 nan 0.000 0.456 85 V N 3.112 122.972 119.914 -0.090 0.000 3.159 85 V HA 0.794 4.913 4.120 -0.001 0.000 0.308 85 V C -3.005 172.998 176.094 -0.152 0.000 1.190 85 V CA -2.230 59.995 62.300 -0.126 0.000 1.037 85 V CB 1.504 33.235 31.823 -0.153 0.000 1.060 85 V HN 0.627 nan 8.190 nan 0.000 0.437 86 P HA 0.290 nan 4.420 nan 0.000 0.272 86 P C 0.948 178.085 177.300 -0.272 0.000 1.223 86 P CA 0.206 63.187 63.100 -0.198 0.000 0.784 86 P CB 0.586 32.162 31.700 -0.206 0.000 0.923 87 T N 3.373 117.761 114.554 -0.278 0.000 2.624 87 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 87 T C -0.750 173.525 174.700 -0.710 0.000 1.041 87 T CA 2.413 64.227 62.100 -0.476 0.000 1.159 87 T CB -1.806 66.815 68.868 -0.410 0.000 0.863 87 T HN 0.591 nan 8.240 nan 0.000 0.434 88 P HA 0.014 nan 4.420 nan 0.000 0.221 88 P C 1.499 178.605 177.300 -0.324 0.000 1.145 88 P CA 0.758 63.724 63.100 -0.223 0.000 0.795 88 P CB -0.221 31.666 31.700 0.313 0.000 0.775 89 V N 0.812 120.459 119.914 -0.446 0.000 2.453 89 V HA -0.160 3.960 4.120 -0.001 0.000 0.247 89 V C 2.668 178.607 176.094 -0.258 0.000 1.048 89 V CA 1.091 63.093 62.300 -0.497 0.000 1.049 89 V CB -1.132 30.312 31.823 -0.632 0.000 0.672 89 V HN 0.080 nan 8.190 nan 0.000 0.457 90 L N -0.353 120.677 121.223 -0.321 0.000 2.017 90 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 90 L C 2.647 179.386 176.870 -0.218 0.000 1.073 90 L CA 2.476 57.167 54.840 -0.249 0.000 0.745 90 L CB -0.920 40.980 42.059 -0.265 0.000 0.894 90 L HN 0.319 nan 8.230 nan 0.000 0.432 91 Y N -0.679 119.362 120.300 -0.431 0.000 2.165 91 Y HA -0.313 4.236 4.550 -0.001 0.000 0.286 91 Y C 2.677 178.126 175.900 -0.750 0.000 1.155 91 Y CA 1.331 59.015 58.100 -0.694 0.000 1.164 91 Y CB -1.676 36.027 38.460 -1.263 0.000 0.978 91 Y HN 0.279 nan 8.280 nan 0.000 0.513 92 Y N 0.495 120.389 120.300 -0.676 0.000 2.114 92 Y HA -0.287 4.262 4.550 -0.001 0.000 0.282 92 Y C 2.524 178.236 175.900 -0.314 0.000 1.165 92 Y CA 1.700 59.566 58.100 -0.389 0.000 1.148 92 Y CB -0.750 37.688 38.460 -0.037 0.000 0.972 92 Y HN 0.048 nan 8.280 nan 0.000 0.504 93 A N 0.558 123.263 122.820 -0.192 0.000 1.908 93 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 93 A C 2.321 179.767 177.584 -0.231 0.000 1.181 93 A CA 2.064 53.978 52.037 -0.206 0.000 0.627 93 A CB -1.566 17.381 19.000 -0.088 0.000 0.818 93 A HN 0.650 nan 8.150 nan 0.000 0.445 94 A N -0.949 121.761 122.820 -0.184 0.000 2.239 94 A HA -0.029 4.290 4.320 -0.001 0.000 0.209 94 A C 1.706 179.189 177.584 -0.167 0.000 1.171 94 A CA 1.105 53.062 52.037 -0.133 0.000 0.768 94 A CB -0.429 18.534 19.000 -0.062 0.000 0.790 94 A HN 0.609 nan 8.150 nan 0.000 0.478 95 N N -0.754 117.766 118.700 -0.299 0.000 2.348 95 N HA 0.000 4.740 4.740 -0.001 0.000 0.183 95 N C 1.445 176.735 175.510 -0.366 0.000 1.094 95 N CA 1.441 54.296 53.050 -0.326 0.000 0.885 95 N CB 0.833 39.014 38.487 -0.510 0.000 1.065 95 N HN 0.494 nan 8.380 nan 0.000 0.472 96 V N -1.850 117.769 119.914 -0.492 0.000 3.635 96 V HA 0.348 4.468 4.120 -0.001 0.000 0.266 96 V C 1.076 177.036 176.094 -0.224 0.000 1.316 96 V CA -0.006 62.055 62.300 -0.397 0.000 1.060 96 V CB -0.007 31.438 31.823 -0.632 0.000 0.820 96 V HN -0.107 nan 8.190 nan 0.000 0.447 97 L N 0.525 121.630 121.223 -0.197 0.000 2.543 97 L HA 0.362 4.701 4.340 -0.001 0.000 0.231 97 L C 2.013 178.833 176.870 -0.082 0.000 1.194 97 L CA 0.364 55.136 54.840 -0.113 0.000 0.823 97 L CB 0.216 42.219 42.059 -0.094 0.000 1.374 97 L HN 0.181 nan 8.230 nan 0.000 0.507 98 E N 0.123 120.290 120.200 -0.055 0.000 2.077 98 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 98 E C 0.711 177.287 176.600 -0.040 0.000 0.989 98 E CA 0.794 57.170 56.400 -0.040 0.000 0.800 98 E CB 0.056 29.739 29.700 -0.028 0.000 0.746 98 E HN 0.744 nan 8.360 nan 0.000 0.452 99 G N -0.135 108.640 108.800 -0.042 0.000 2.448 99 G HA2 0.115 4.075 3.960 -0.001 0.000 0.285 99 G HA3 0.115 4.075 3.960 -0.001 0.000 0.285 99 G C 0.158 175.031 174.900 -0.044 0.000 1.176 99 G CA -0.467 44.612 45.100 -0.036 0.000 0.852 99 G HN 0.016 nan 8.290 nan 0.000 0.530 100 K N 0.451 120.832 120.400 -0.032 0.000 2.399 100 K HA 0.198 4.517 4.320 -0.001 0.000 0.204 100 K C 0.481 177.069 176.600 -0.019 0.000 1.023 100 K CA -0.031 56.237 56.287 -0.031 0.000 1.127 100 K CB 0.774 33.262 32.500 -0.020 0.000 0.856 100 K HN 0.276 nan 8.250 nan 0.000 0.514 101 S N 0.254 115.945 115.700 -0.015 0.000 2.565 101 S HA 0.725 5.194 4.470 -0.001 0.000 0.290 101 S C 0.135 174.737 174.600 0.003 0.000 1.150 101 S CA -0.662 57.538 58.200 0.000 0.000 1.058 101 S CB 1.996 65.197 63.200 0.002 0.000 1.032 101 S HN 0.362 nan 8.310 nan 0.000 0.510 102 G N 0.545 109.362 108.800 0.029 0.000 2.742 102 G HA2 0.587 4.546 3.960 -0.001 0.000 0.296 102 G HA3 0.587 4.546 3.960 -0.001 0.000 0.296 102 G C -1.825 173.123 174.900 0.081 0.000 1.436 102 G CA -0.464 44.660 45.100 0.041 0.000 0.928 102 G HN 0.626 nan 8.290 nan 0.000 0.520 103 V N 1.634 121.592 119.914 0.074 0.000 2.531 103 V HA 0.650 4.769 4.120 -0.001 0.000 0.301 103 V C -0.396 175.749 176.094 0.085 0.000 1.034 103 V CA -0.731 61.640 62.300 0.119 0.000 0.865 103 V CB 1.733 33.641 31.823 0.141 0.000 0.995 103 V HN 0.849 nan 8.190 nan 0.000 0.424 104 M N 5.620 125.272 119.600 0.086 0.000 2.149 104 M HA 0.595 5.075 4.480 -0.001 0.000 0.342 104 M C -1.179 175.110 176.300 -0.018 0.000 1.068 104 M CA -0.638 54.656 55.300 -0.011 0.000 0.991 104 M CB 1.288 33.828 32.600 -0.100 0.000 1.596 104 M HN 0.617 nan 8.290 nan 0.000 0.439 105 L N 5.546 126.718 121.223 -0.086 0.000 2.268 105 L HA 0.659 4.998 4.340 -0.001 0.000 0.289 105 L C -0.773 175.980 176.870 -0.195 0.000 1.064 105 L CA 0.711 55.408 54.840 -0.239 0.000 0.824 105 L CB 0.443 42.367 42.059 -0.224 0.000 1.202 105 L HN 0.858 nan 8.230 nan 0.000 0.433 106 T N 2.861 117.297 114.554 -0.196 0.000 2.932 106 T HA 0.748 5.098 4.350 -0.001 0.000 0.318 106 T C -0.194 174.466 174.700 -0.066 0.000 1.265 106 T CA -0.043 61.997 62.100 -0.100 0.000 1.036 106 T CB 1.084 69.915 68.868 -0.062 0.000 1.209 106 T HN 0.737 nan 8.240 nan 0.000 0.484 110 N N 3.259 121.640 118.700 -0.532 0.000 2.399 110 N HA 0.256 4.995 4.740 -0.001 0.000 0.250 110 N C -2.514 172.805 175.510 -0.318 0.000 1.272 110 N CA -0.898 51.800 53.050 -0.586 0.000 0.928 110 N CB 0.538 38.551 38.487 -0.789 0.000 1.158 110 N HN 0.071 nan 8.380 nan 0.000 0.463 111 P HA -0.044 nan 4.420 nan 0.000 0.269 111 P C -1.847 175.624 177.300 0.285 0.000 1.205 111 P CA -0.624 62.502 63.100 0.043 0.000 0.780 111 P CB 0.065 31.823 31.700 0.097 0.000 0.858 112 P HA -0.223 nan 4.420 nan 0.000 0.217 112 P C 0.716 178.136 177.300 0.200 0.000 1.151 112 P CA 1.661 64.933 63.100 0.286 0.000 0.849 112 P CB -0.117 31.669 31.700 0.144 0.000 0.787 113 D N -2.976 117.553 120.400 0.216 0.000 2.347 113 D HA -0.052 4.588 4.640 -0.001 0.000 0.215 113 D C 0.394 176.734 176.300 0.067 0.000 0.976 113 D CA 0.596 54.656 54.000 0.099 0.000 0.884 113 D CB -0.210 40.607 40.800 0.029 0.000 0.915 113 D HN 0.228 nan 8.370 nan 0.000 0.526 114 Y N 0.959 121.270 120.300 0.019 0.000 2.336 114 Y HA 0.220 4.769 4.550 -0.001 0.000 0.331 114 Y C 1.170 177.056 175.900 -0.023 0.000 1.211 114 Y CA 0.134 58.231 58.100 -0.005 0.000 1.346 114 Y CB 0.580 39.029 38.460 -0.018 0.000 1.271 114 Y HN -0.211 nan 8.280 nan 0.000 0.538 115 N N -0.694 118.046 118.700 0.067 0.000 3.344 115 N HA 0.723 5.463 4.740 -0.001 0.000 0.296 115 N C -0.720 174.733 175.510 -0.094 0.000 1.571 115 N CA 0.120 53.146 53.050 -0.041 0.000 0.844 115 N CB 2.093 40.510 38.487 -0.116 0.000 1.718 115 N HN 0.804 nan 8.380 nan 0.000 0.589 116 G N -0.724 107.895 108.800 -0.303 0.000 2.317 116 G HA2 0.437 4.397 3.960 -0.001 0.000 0.293 116 G HA3 0.437 4.397 3.960 -0.001 0.000 0.293 116 G C -2.269 172.289 174.900 -0.571 0.000 1.287 116 G CA -0.661 44.279 45.100 -0.266 0.000 0.850 116 G HN 0.252 nan 8.290 nan 0.000 0.515 117 F N 0.434 120.408 119.950 0.041 0.000 2.573 117 F HA 0.608 5.135 4.527 -0.001 0.000 0.316 117 F C 0.157 176.022 175.800 0.109 0.000 1.148 117 F CA -0.748 57.285 58.000 0.056 0.000 0.940 117 F CB 2.745 41.765 39.000 0.034 0.000 1.214 117 F HN 0.196 nan 8.300 nan 0.000 0.448 118 K N 4.336 124.902 120.400 0.277 0.000 2.206 118 K HA 0.789 5.108 4.320 -0.001 0.000 0.264 118 K C -1.115 175.664 176.600 0.299 0.000 0.967 118 K CA -0.538 55.939 56.287 0.316 0.000 0.844 118 K CB 2.185 34.883 32.500 0.330 0.000 1.099 118 K HN 0.534 nan 8.250 nan 0.000 0.441 119 I N 2.545 123.277 120.570 0.270 0.000 2.499 119 I HA 0.313 4.482 4.170 -0.001 0.000 0.288 119 I C -0.917 175.290 176.117 0.150 0.000 1.048 119 I CA -1.170 60.246 61.300 0.194 0.000 1.062 119 I CB 2.062 40.155 38.000 0.155 0.000 1.238 119 I HN 0.173 nan 8.210 nan 0.000 0.426 120 V N 6.757 126.741 119.914 0.116 0.000 2.487 120 V HA 0.499 4.618 4.120 -0.001 0.000 0.298 120 V C -0.366 175.755 176.094 0.046 0.000 1.028 120 V CA -0.688 61.650 62.300 0.063 0.000 0.860 120 V CB 2.265 34.110 31.823 0.036 0.000 0.991 120 V HN 0.416 nan 8.190 nan 0.000 0.427 121 V N 3.683 123.616 119.914 0.033 0.000 2.483 121 V HA 0.676 4.795 4.120 -0.001 0.000 0.297 121 V C 0.618 176.719 176.094 0.012 0.000 1.027 121 V CA -0.116 62.197 62.300 0.022 0.000 0.855 121 V CB 1.318 33.155 31.823 0.023 0.000 0.995 121 V HN 1.333 nan 8.190 nan 0.000 0.424 122 A N 4.083 126.905 122.820 0.005 0.000 2.704 122 A HA 0.027 4.346 4.320 -0.001 0.000 0.299 122 A C 1.790 179.374 177.584 0.001 0.000 1.507 122 A CA 1.523 53.560 52.037 -0.000 0.000 0.776 122 A CB -1.492 17.508 19.000 -0.000 0.000 1.027 122 A HN 2.660 nan 8.150 nan 0.000 0.475 123 G N -1.856 106.944 108.800 0.001 0.000 2.241 123 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 123 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 123 G C -0.023 174.880 174.900 0.005 0.000 0.998 123 G CA 1.078 46.180 45.100 0.003 0.000 0.621 123 G HN 1.756 nan 8.290 nan 0.000 0.519 124 E N 1.265 121.469 120.200 0.007 0.000 2.175 124 E HA 0.558 4.908 4.350 -0.001 0.000 0.278 124 E C -0.326 176.285 176.600 0.017 0.000 0.969 124 E CA -0.336 56.070 56.400 0.009 0.000 0.796 124 E CB 0.743 30.448 29.700 0.009 0.000 1.104 124 E HN 0.090 nan 8.360 nan 0.000 0.395 125 T N 5.112 119.676 114.554 0.016 0.000 2.779 125 T HA 0.206 4.555 4.350 -0.001 0.000 0.296 125 T C 0.358 175.091 174.700 0.055 0.000 0.938 125 T CA -0.353 61.768 62.100 0.035 0.000 1.119 125 T CB 0.136 69.021 68.868 0.028 0.000 0.891 125 T HN 0.375 nan 8.240 nan 0.000 0.526 126 L N 2.785 124.055 121.223 0.078 0.000 2.426 126 L HA 0.602 4.942 4.340 -0.001 0.000 0.271 126 L C 0.572 177.499 176.870 0.095 0.000 1.169 126 L CA -0.426 54.462 54.840 0.080 0.000 0.836 126 L CB 0.390 42.503 42.059 0.090 0.000 1.112 126 L HN 0.743 nan 8.230 nan 0.000 0.465 127 A N 2.118 124.988 122.820 0.084 0.000 2.609 127 A HA 0.597 4.917 4.320 -0.001 0.000 0.291 127 A C -0.163 177.465 177.584 0.074 0.000 1.096 127 A CA -0.607 51.488 52.037 0.097 0.000 0.684 127 A CB 1.429 20.489 19.000 0.102 0.000 1.282 127 A HN 0.769 nan 8.150 nan 0.000 0.412 128 N N 0.444 119.185 118.700 0.067 0.000 1.241 128 N HA -0.262 4.477 4.740 -0.001 0.000 0.135 128 N C 1.342 176.868 175.510 0.026 0.000 0.723 128 N CA 1.864 54.932 53.050 0.029 0.000 0.950 128 N CB -0.783 37.713 38.487 0.015 0.000 1.215 128 N HN 1.021 nan 8.380 nan 0.000 0.520 129 E N 2.081 122.286 120.200 0.009 0.000 2.209 129 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 129 E C 1.490 178.097 176.600 0.012 0.000 0.993 129 E CA 1.905 58.306 56.400 0.002 0.000 0.819 129 E CB -0.537 29.159 29.700 -0.007 0.000 0.745 129 E HN 0.720 nan 8.360 nan 0.000 0.477 130 Q N -0.044 119.774 119.800 0.029 0.000 2.167 130 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 130 Q C 2.328 178.362 176.000 0.056 0.000 0.970 130 Q CA 1.079 56.904 55.803 0.036 0.000 0.855 130 Q CB 0.031 28.794 28.738 0.042 0.000 0.911 130 Q HN 0.297 nan 8.270 nan 0.000 0.438 131 I N 0.725 121.347 120.570 0.086 0.000 2.353 131 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 131 I C 2.158 178.351 176.117 0.127 0.000 1.119 131 I CA 1.147 62.538 61.300 0.152 0.000 1.417 131 I CB -0.909 37.207 38.000 0.194 0.000 1.078 131 I HN 0.290 nan 8.210 nan 0.000 0.421 132 Q N 0.783 120.611 119.800 0.048 0.000 2.124 132 Q HA -0.103 4.237 4.340 -0.001 0.000 0.202 132 Q C 2.406 178.342 176.000 -0.106 0.000 0.977 132 Q CA 1.646 57.413 55.803 -0.058 0.000 0.850 132 Q CB -0.431 28.282 28.738 -0.042 0.000 0.901 132 Q HN 0.521 nan 8.270 nan 0.000 0.429 133 A N 0.885 123.677 122.820 -0.047 0.000 1.933 133 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 133 A C 2.249 179.798 177.584 -0.059 0.000 1.175 133 A CA 1.038 53.046 52.037 -0.049 0.000 0.628 133 A CB -0.667 18.322 19.000 -0.018 0.000 0.814 133 A HN 0.316 nan 8.150 nan 0.000 0.444 134 L N -1.194 120.011 121.223 -0.030 0.000 2.017 134 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 134 L C 2.799 179.596 176.870 -0.121 0.000 1.073 134 L CA 1.857 56.691 54.840 -0.009 0.000 0.745 134 L CB -0.561 41.562 42.059 0.108 0.000 0.894 134 L HN 0.442 nan 8.230 nan 0.000 0.432 135 R N 0.568 120.831 120.500 -0.394 0.000 2.091 135 R HA -0.216 4.123 4.340 -0.001 0.000 0.238 135 R C 2.141 178.222 176.300 -0.366 0.000 1.136 135 R CA 1.917 57.556 56.100 -0.768 0.000 0.959 135 R CB -0.090 29.402 30.300 -1.345 0.000 0.856 135 R HN 0.415 nan 8.270 nan 0.000 0.437 136 E N -0.393 119.657 120.200 -0.250 0.000 2.106 136 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 136 E C 2.204 178.738 176.600 -0.109 0.000 0.984 136 E CA 1.079 57.385 56.400 -0.155 0.000 0.806 136 E CB 0.005 29.636 29.700 -0.115 0.000 0.750 136 E HN 0.294 nan 8.360 nan 0.000 0.458 137 R N 0.323 120.772 120.500 -0.084 0.000 2.091 137 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 137 R C 2.340 178.613 176.300 -0.045 0.000 1.136 137 R CA 1.349 57.422 56.100 -0.045 0.000 0.959 137 R CB -0.362 29.929 30.300 -0.016 0.000 0.856 137 R HN 0.229 nan 8.270 nan 0.000 0.437 138 I N 0.646 121.181 120.570 -0.059 0.000 2.252 138 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 138 I C 2.296 178.329 176.117 -0.141 0.000 1.102 138 I CA 1.106 62.362 61.300 -0.073 0.000 1.385 138 I CB -0.286 37.694 38.000 -0.033 0.000 1.064 138 I HN 0.109 nan 8.210 nan 0.000 0.414 139 E N 1.336 121.455 120.200 -0.136 0.000 2.118 139 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 139 E C 1.965 178.501 176.600 -0.107 0.000 0.992 139 E CA 1.325 57.647 56.400 -0.130 0.000 0.804 139 E CB -0.141 29.485 29.700 -0.122 0.000 0.741 139 E HN 0.516 nan 8.360 nan 0.000 0.458 140 K N 0.281 120.628 120.400 -0.087 0.000 2.426 140 K HA 0.061 4.381 4.320 -0.001 0.000 0.193 140 K C 0.192 176.760 176.600 -0.055 0.000 1.028 140 K CA -0.096 56.152 56.287 -0.064 0.000 1.047 140 K CB 0.240 32.709 32.500 -0.050 0.000 0.821 140 K HN 0.012 nan 8.250 nan 0.000 0.513 141 N N 2.392 121.052 118.700 -0.066 0.000 2.721 141 N HA -0.199 4.540 4.740 -0.001 0.000 0.249 141 N C -0.767 174.744 175.510 0.002 0.000 1.072 141 N CA 1.000 54.029 53.050 -0.036 0.000 0.710 141 N CB -1.017 37.445 38.487 -0.042 0.000 0.993 141 N HN 0.313 nan 8.380 nan 0.000 0.547 142 D N 1.170 121.568 120.400 -0.003 0.000 2.619 142 D HA 0.347 4.986 4.640 -0.001 0.000 0.224 142 D C -0.369 175.945 176.300 0.023 0.000 1.133 142 D CA 0.058 54.061 54.000 0.005 0.000 1.017 142 D CB -0.212 40.582 40.800 -0.009 0.000 1.077 142 D HN 0.310 nan 8.370 nan 0.000 0.503 143 L N 1.342 122.592 121.223 0.045 0.000 2.408 143 L HA 0.658 4.997 4.340 -0.001 0.000 0.268 143 L C 0.375 177.277 176.870 0.054 0.000 0.986 143 L CA -1.398 53.481 54.840 0.066 0.000 0.820 143 L CB 1.945 44.086 42.059 0.137 0.000 1.303 143 L HN 0.102 nan 8.230 nan 0.000 0.411 144 A N 1.880 124.720 122.820 0.034 0.000 2.406 144 A HA 0.652 4.972 4.320 -0.001 0.000 0.243 144 A C -0.052 177.551 177.584 0.031 0.000 1.082 144 A CA 0.000 52.052 52.037 0.024 0.000 0.786 144 A CB 0.392 19.396 19.000 0.007 0.000 1.029 144 A HN 0.633 nan 8.150 nan 0.000 0.495 145 S N -0.553 115.163 115.700 0.028 0.000 2.571 145 S HA 0.813 5.283 4.470 -0.001 0.000 0.284 145 S C 0.031 174.642 174.600 0.018 0.000 1.128 145 S CA 0.042 58.261 58.200 0.031 0.000 0.970 145 S CB 1.883 65.109 63.200 0.045 0.000 1.039 145 S HN 1.684 nan 8.310 nan 0.000 0.485 146 G N 0.430 109.238 108.800 0.013 0.000 2.488 146 G HA2 0.509 4.469 3.960 -0.001 0.000 0.301 146 G HA3 0.509 4.469 3.960 -0.001 0.000 0.301 146 G C -1.991 172.912 174.900 0.006 0.000 1.339 146 G CA -0.479 44.626 45.100 0.008 0.000 0.803 146 G HN 0.615 nan 8.290 nan 0.000 0.482 147 V N 1.680 121.596 119.914 0.004 0.000 2.257 147 V HA 0.634 4.754 4.120 -0.001 0.000 0.269 147 V C 1.075 177.168 176.094 -0.001 0.000 1.040 147 V CA 0.280 62.581 62.300 0.003 0.000 0.813 147 V CB 0.321 32.146 31.823 0.004 0.000 1.065 147 V HN 1.100 nan 8.190 nan 0.000 0.457 148 G N 3.318 112.116 108.800 -0.004 0.000 2.509 148 G HA2 0.714 4.673 3.960 -0.001 0.000 0.269 148 G HA3 0.714 4.673 3.960 -0.001 0.000 0.269 148 G C -0.092 174.805 174.900 -0.006 0.000 1.416 148 G CA 0.180 45.276 45.100 -0.007 0.000 1.052 148 G HN 0.883 nan 8.290 nan 0.000 0.542 149 S N -2.644 113.051 115.700 -0.008 0.000 2.570 149 S HA 0.638 5.107 4.470 -0.001 0.000 0.270 149 S C -1.404 173.191 174.600 -0.008 0.000 1.149 149 S CA -0.716 57.480 58.200 -0.006 0.000 0.837 149 S CB 1.840 65.037 63.200 -0.006 0.000 1.124 149 S HN 0.865 nan 8.310 nan 0.000 0.465 150 V N 0.459 120.369 119.914 -0.006 0.000 2.588 150 V HA 0.929 5.048 4.120 -0.001 0.000 0.304 150 V C 0.098 176.188 176.094 -0.007 0.000 1.042 150 V CA -0.196 62.099 62.300 -0.007 0.000 0.877 150 V CB 0.961 32.781 31.823 -0.005 0.000 0.996 150 V HN 1.275 nan 8.190 nan 0.000 0.425 151 E N 2.235 122.430 120.200 -0.008 0.000 2.222 151 E HA 0.682 5.032 4.350 -0.001 0.000 0.267 151 E C -0.712 175.884 176.600 -0.007 0.000 0.884 151 E CA -0.976 55.420 56.400 -0.007 0.000 0.764 151 E CB 1.861 31.556 29.700 -0.007 0.000 1.169 151 E HN 0.742 nan 8.360 nan 0.000 0.413 152 Q N 0.090 119.886 119.800 -0.006 0.000 2.288 152 Q HA 0.544 4.884 4.340 -0.001 0.000 0.254 152 Q C -0.748 175.249 176.000 -0.004 0.000 0.932 152 Q CA -0.137 55.662 55.803 -0.006 0.000 0.902 152 Q CB 1.667 30.401 28.738 -0.006 0.000 1.203 152 Q HN 0.489 nan 8.270 nan 0.000 0.415 153 V N 2.552 122.464 119.914 -0.004 0.000 2.577 153 V HA 0.202 4.322 4.120 -0.001 0.000 0.303 153 V C -1.027 175.071 176.094 0.007 0.000 1.042 153 V CA -0.919 61.382 62.300 0.002 0.000 0.872 153 V CB 1.975 33.797 31.823 -0.002 0.000 0.998 153 V HN 0.684 nan 8.190 nan 0.000 0.423 154 D N 3.589 123.998 120.400 0.015 0.000 2.468 154 D HA 0.287 4.926 4.640 -0.001 0.000 0.218 154 D C 0.478 176.805 176.300 0.045 0.000 1.155 154 D CA 0.025 54.037 54.000 0.020 0.000 0.924 154 D CB 1.014 41.822 40.800 0.014 0.000 1.029 154 D HN 0.532 nan 8.370 nan 0.000 0.515 155 I N 3.308 123.911 120.570 0.056 0.000 3.645 155 I HA 0.030 4.199 4.170 -0.001 0.000 0.300 155 I C 1.833 178.041 176.117 0.152 0.000 1.260 155 I CA 0.014 61.385 61.300 0.117 0.000 1.365 155 I CB 0.296 38.371 38.000 0.125 0.000 1.077 155 I HN 0.406 nan 8.210 nan 0.000 0.439 156 L N 1.536 122.814 121.223 0.092 0.000 2.012 156 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 156 L C -0.389 176.600 176.870 0.199 0.000 1.073 156 L CA 1.938 56.850 54.840 0.120 0.000 0.748 156 L CB -1.813 40.285 42.059 0.065 0.000 0.891 156 L HN 0.225 nan 8.230 nan 0.000 0.431 157 P HA -0.172 nan 4.420 nan 0.000 0.216 157 P C 1.596 179.004 177.300 0.180 0.000 1.150 157 P CA 2.000 65.156 63.100 0.093 0.000 0.837 157 P CB -0.127 31.585 31.700 0.021 0.000 0.786 158 R N -0.785 119.838 120.500 0.205 0.000 2.075 158 R HA -0.192 4.148 4.340 -0.001 0.000 0.232 158 R C 2.280 178.732 176.300 0.254 0.000 1.126 158 R CA 1.939 58.191 56.100 0.253 0.000 0.963 158 R CB -2.463 28.023 30.300 0.310 0.000 0.858 158 R HN 0.273 nan 8.270 nan 0.000 0.435 159 Y N -0.109 120.197 120.300 0.010 0.000 2.097 159 Y HA -0.176 4.373 4.550 -0.001 0.000 0.282 159 Y C 2.136 178.028 175.900 -0.013 0.000 1.152 159 Y CA 2.090 59.987 58.100 -0.337 0.000 1.136 159 Y CB -0.592 37.653 38.460 -0.358 0.000 0.975 159 Y HN 0.281 nan 8.280 nan 0.000 0.498 160 F N 1.308 121.291 119.950 0.056 0.000 2.065 160 F HA -0.289 4.237 4.527 -0.001 0.000 0.298 160 F C 2.550 178.325 175.800 -0.042 0.000 1.112 160 F CA 2.576 60.575 58.000 -0.001 0.000 1.212 160 F CB -0.612 38.429 39.000 0.067 0.000 0.975 160 F HN 0.066 nan 8.300 nan 0.000 0.476 161 K N -0.162 120.449 120.400 0.352 0.000 2.057 161 K HA -0.259 4.061 4.320 -0.001 0.000 0.206 161 K C 2.271 178.948 176.600 0.128 0.000 1.050 161 K CA 1.593 58.025 56.287 0.241 0.000 0.935 161 K CB -0.330 32.285 32.500 0.192 0.000 0.715 161 K HN 0.425 nan 8.250 nan 0.000 0.439 162 Q N 0.674 120.543 119.800 0.114 0.000 2.096 162 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 162 Q C 1.885 177.939 176.000 0.090 0.000 0.982 162 Q CA 1.964 57.855 55.803 0.147 0.000 0.850 162 Q CB -0.039 28.854 28.738 0.259 0.000 0.901 162 Q HN 0.401 nan 8.270 nan 0.000 0.422 163 I N -0.243 120.287 120.570 -0.067 0.000 2.163 163 I HA -0.251 3.918 4.170 -0.001 0.000 0.240 163 I C 2.691 178.731 176.117 -0.129 0.000 1.081 163 I CA 1.147 62.359 61.300 -0.146 0.000 1.353 163 I CB -0.459 37.325 38.000 -0.361 0.000 1.054 163 I HN 0.243 nan 8.210 nan 0.000 0.407 164 R N 1.069 121.484 120.500 -0.142 0.000 2.103 164 R HA -0.217 4.123 4.340 -0.001 0.000 0.242 164 R C 1.681 177.964 176.300 -0.029 0.000 1.142 164 R CA 2.076 58.119 56.100 -0.096 0.000 0.960 164 R CB -0.188 30.101 30.300 -0.017 0.000 0.858 164 R HN 0.334 nan 8.270 nan 0.000 0.439 165 D N -0.291 120.117 120.400 0.013 0.000 2.269 165 D HA -0.124 4.515 4.640 -0.001 0.000 0.208 165 D C 1.173 177.481 176.300 0.012 0.000 0.963 165 D CA 1.110 55.126 54.000 0.026 0.000 0.864 165 D CB -0.168 40.665 40.800 0.054 0.000 0.936 165 D HN 0.359 nan 8.370 nan 0.000 0.505 166 D N -0.771 119.633 120.400 0.006 0.000 2.346 166 D HA -0.021 4.618 4.640 -0.001 0.000 0.206 166 D C 0.073 176.342 176.300 -0.052 0.000 1.001 166 D CA 0.223 54.224 54.000 0.002 0.000 0.871 166 D CB 0.454 41.287 40.800 0.055 0.000 0.943 166 D HN -0.075 nan 8.370 nan 0.000 0.518 167 I N 1.377 121.897 120.570 -0.082 0.000 2.377 167 I HA 0.490 4.659 4.170 -0.001 0.000 0.293 167 I C -0.321 175.745 176.117 -0.085 0.000 0.987 167 I CA -0.928 60.298 61.300 -0.123 0.000 1.185 167 I CB 1.254 39.145 38.000 -0.181 0.000 1.341 167 I HN -0.071 nan 8.210 nan 0.000 0.455 168 A N 7.794 130.566 122.820 -0.080 0.000 2.709 168 A HA 0.564 4.884 4.320 -0.001 0.000 0.332 168 A C -0.122 177.429 177.584 -0.055 0.000 1.241 168 A CA -0.589 51.415 52.037 -0.055 0.000 0.782 168 A CB 0.428 19.403 19.000 -0.041 0.000 1.109 168 A HN 0.724 nan 8.150 nan 0.000 0.472 169 M N 1.733 121.301 119.600 -0.055 0.000 2.219 169 M HA 0.191 4.670 4.480 -0.001 0.000 0.353 169 M C 1.395 177.674 176.300 -0.034 0.000 1.304 169 M CA 0.114 55.386 55.300 -0.047 0.000 1.115 169 M CB 1.392 33.965 32.600 -0.045 0.000 1.664 169 M HN 0.743 nan 8.290 nan 0.000 0.459 170 A N 4.346 127.146 122.820 -0.032 0.000 2.030 170 A HA 0.038 4.357 4.320 -0.001 0.000 0.215 170 A C 0.526 178.097 177.584 -0.022 0.000 1.164 170 A CA 0.953 52.974 52.037 -0.026 0.000 0.697 170 A CB 0.176 19.160 19.000 -0.027 0.000 0.827 170 A HN 0.826 nan 8.150 nan 0.000 0.457 171 K N -0.869 119.518 120.400 -0.022 0.000 2.556 171 K HA 0.544 4.864 4.320 -0.001 0.000 0.274 171 K C -3.435 173.156 176.600 -0.016 0.000 0.966 171 K CA -1.988 54.288 56.287 -0.017 0.000 0.865 171 K CB 1.487 33.977 32.500 -0.017 0.000 1.444 171 K HN -0.153 nan 8.250 nan 0.000 0.433 172 P HA 0.114 nan 4.420 nan 0.000 0.271 172 P C -0.989 176.305 177.300 -0.009 0.000 1.218 172 P CA -0.048 63.047 63.100 -0.009 0.000 0.780 172 P CB 0.577 32.273 31.700 -0.006 0.000 0.901 173 M N 1.433 121.028 119.600 -0.007 0.000 2.518 173 M HA 0.372 4.851 4.480 -0.001 0.000 0.300 173 M C -0.035 176.263 176.300 -0.003 0.000 1.175 173 M CA -0.817 54.480 55.300 -0.005 0.000 0.890 173 M CB 3.206 35.802 32.600 -0.006 0.000 1.710 173 M HN 0.188 nan 8.290 nan 0.000 0.453 174 K N 2.089 122.488 120.400 -0.002 0.000 2.213 174 K HA 0.687 5.007 4.320 -0.001 0.000 0.270 174 K C -1.824 174.774 176.600 -0.003 0.000 1.002 174 K CA -0.468 55.818 56.287 -0.002 0.000 0.868 174 K CB 1.155 33.653 32.500 -0.003 0.000 1.093 174 K HN 0.540 nan 8.250 nan 0.000 0.454 175 V N 4.751 124.664 119.914 -0.002 0.000 2.623 175 V HA 0.270 4.389 4.120 -0.001 0.000 0.304 175 V C -0.635 175.456 176.094 -0.005 0.000 1.054 175 V CA -1.091 61.206 62.300 -0.004 0.000 0.882 175 V CB 1.801 33.627 31.823 0.004 0.000 1.002 175 V HN 0.544 nan 8.190 nan 0.000 0.424 176 V N 5.308 125.211 119.914 -0.019 0.000 2.498 176 V HA 0.409 4.528 4.120 -0.001 0.000 0.279 176 V C -0.029 176.053 176.094 -0.020 0.000 1.048 176 V CA -0.310 61.975 62.300 -0.025 0.000 0.967 176 V CB 1.581 33.379 31.823 -0.041 0.000 0.988 176 V HN 0.612 nan 8.190 nan 0.000 0.473 177 V N 4.058 123.974 119.914 0.004 0.000 2.407 177 V HA 0.384 4.504 4.120 -0.001 0.000 0.291 177 V C -0.490 175.640 176.094 0.059 0.000 1.018 177 V CA -0.542 61.788 62.300 0.051 0.000 0.842 177 V CB 1.788 33.694 31.823 0.138 0.000 0.996 177 V HN 0.903 nan 8.190 nan 0.000 0.426 178 D N 3.507 123.941 120.400 0.058 0.000 2.392 178 D HA 0.271 4.911 4.640 -0.001 0.000 0.228 178 D C 0.475 176.909 176.300 0.223 0.000 1.074 178 D CA -0.269 53.804 54.000 0.121 0.000 0.838 178 D CB 1.727 42.611 40.800 0.140 0.000 1.067 178 D HN 0.542 nan 8.370 nan 0.000 0.511 179 C N 2.302 121.755 119.300 0.255 0.000 2.697 179 C HA 0.339 4.798 4.460 -0.001 0.000 0.267 179 C C 1.747 176.875 174.990 0.230 0.000 1.278 179 C CA 0.185 59.374 59.018 0.286 0.000 1.708 179 C CB -0.932 26.940 27.740 0.220 0.000 1.860 179 C HN 0.898 nan 8.230 nan 0.000 0.589 180 G N 2.092 111.020 108.800 0.215 0.000 2.203 180 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.263 180 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.263 180 G C 0.225 175.176 174.900 0.086 0.000 1.012 180 G CA 0.746 45.859 45.100 0.022 0.000 0.749 180 G HN 0.719 nan 8.290 nan 0.000 0.512 181 N N -2.143 116.665 118.700 0.180 0.000 2.741 181 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 181 N C 1.223 176.923 175.510 0.316 0.000 1.112 181 N CA 1.274 54.453 53.050 0.215 0.000 0.750 181 N CB -1.015 37.577 38.487 0.175 0.000 1.119 181 N HN 1.338 nan 8.380 nan 0.000 0.561 182 G N -0.735 108.249 108.800 0.307 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 0.873 175.865 174.900 0.153 0.000 1.349 182 G CA -0.088 45.202 45.100 0.317 0.000 1.038 182 G HN 0.125 nan 8.290 nan 0.000 0.518 183 V N 0.344 120.317 119.914 0.099 0.000 3.217 183 V HA 0.091 4.211 4.120 -0.001 0.000 0.264 183 V C 2.782 178.866 176.094 -0.017 0.000 1.135 183 V CA 1.967 64.282 62.300 0.025 0.000 1.142 183 V CB -0.539 31.281 31.823 -0.005 0.000 0.754 183 V HN 0.790 nan 8.190 nan 0.000 0.484 184 A N 0.117 122.921 122.820 -0.025 0.000 2.125 184 A HA -0.025 4.295 4.320 -0.001 0.000 0.219 184 A C 2.246 179.782 177.584 -0.080 0.000 1.156 184 A CA 1.419 53.375 52.037 -0.135 0.000 0.671 184 A CB -0.973 17.865 19.000 -0.270 0.000 0.794 184 A HN 0.641 nan 8.150 nan 0.000 0.459 185 G N -0.084 108.721 108.800 0.008 0.000 2.498 185 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.219 185 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.219 185 G C 1.427 176.339 174.900 0.021 0.000 1.119 185 G CA 1.344 46.465 45.100 0.034 0.000 0.766 185 G HN 1.022 nan 8.290 nan 0.000 0.552 186 V N -2.146 117.770 119.914 0.003 0.000 2.970 186 V HA 0.297 4.417 4.120 -0.001 0.000 0.260 186 V C 1.883 178.003 176.094 0.043 0.000 1.100 186 V CA 1.734 64.042 62.300 0.012 0.000 1.122 186 V CB -0.017 31.802 31.823 -0.007 0.000 0.721 186 V HN 0.354 nan 8.190 nan 0.000 0.483 187 I N -1.755 118.836 120.570 0.036 0.000 5.007 187 I HA 0.445 4.614 4.170 -0.001 0.000 0.323 187 I C 2.204 178.348 176.117 0.045 0.000 1.195 187 I CA 0.893 62.255 61.300 0.104 0.000 1.407 187 I CB 0.084 38.166 38.000 0.136 0.000 1.544 187 I HN 0.064 nan 8.210 nan 0.000 0.505 188 A N 2.396 125.174 122.820 -0.070 0.000 1.865 188 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 188 A C -0.393 177.198 177.584 0.013 0.000 1.191 188 A CA 2.219 54.182 52.037 -0.123 0.000 0.623 188 A CB -2.095 16.672 19.000 -0.389 0.000 0.826 188 A HN 0.388 nan 8.150 nan 0.000 0.444 189 P HA -0.127 nan 4.420 nan 0.000 0.217 189 P C 1.210 178.557 177.300 0.079 0.000 1.150 189 P CA 1.438 64.584 63.100 0.076 0.000 0.832 189 P CB -0.102 31.642 31.700 0.073 0.000 0.787 190 Q N -0.790 119.080 119.800 0.117 0.000 2.046 190 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 190 Q C 2.108 178.245 176.000 0.229 0.000 0.975 190 Q CA 1.096 57.023 55.803 0.207 0.000 0.836 190 Q CB -1.282 27.634 28.738 0.295 0.000 0.896 190 Q HN 0.153 nan 8.270 nan 0.000 0.428 191 L N 0.179 121.432 121.223 0.051 0.000 2.056 191 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 191 L C 1.846 178.588 176.870 -0.213 0.000 1.078 191 L CA 1.571 56.163 54.840 -0.414 0.000 0.749 191 L CB -0.337 41.356 42.059 -0.611 0.000 0.901 191 L HN 0.244 nan 8.230 nan 0.000 0.433 192 I N -0.477 120.040 120.570 -0.088 0.000 2.286 192 I HA -0.267 3.902 4.170 -0.001 0.000 0.248 192 I C 2.537 178.643 176.117 -0.017 0.000 1.115 192 I CA 1.488 62.761 61.300 -0.044 0.000 1.392 192 I CB -0.424 37.586 38.000 0.017 0.000 1.065 192 I HN 0.450 nan 8.210 nan 0.000 0.418 193 E N 1.532 121.743 120.200 0.019 0.000 2.058 193 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 193 E C 2.271 178.894 176.600 0.039 0.000 0.997 193 E CA 1.509 57.931 56.400 0.036 0.000 0.801 193 E CB -0.035 29.701 29.700 0.060 0.000 0.746 193 E HN 0.487 nan 8.360 nan 0.000 0.450 194 A N 1.041 123.900 122.820 0.064 0.000 2.019 194 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 194 A C 2.170 179.763 177.584 0.014 0.000 1.164 194 A CA 0.846 52.936 52.037 0.089 0.000 0.644 194 A CB -0.517 18.623 19.000 0.234 0.000 0.805 194 A HN 0.314 nan 8.150 nan 0.000 0.449 195 L N -1.552 119.645 121.223 -0.044 0.000 2.362 195 L HA 0.073 4.412 4.340 -0.001 0.000 0.219 195 L C 1.527 178.378 176.870 -0.032 0.000 1.134 195 L CA 0.756 55.559 54.840 -0.060 0.000 0.807 195 L CB -0.394 41.608 42.059 -0.095 0.000 0.927 195 L HN 0.605 nan 8.230 nan 0.000 0.447 196 G N -0.943 107.848 108.800 -0.013 0.000 2.245 196 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.130 196 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.130 196 G C -0.261 174.635 174.900 -0.007 0.000 1.040 196 G CA -0.489 44.607 45.100 -0.007 0.000 0.713 196 G HN 0.209 nan 8.290 nan 0.000 0.488 197 C N 0.151 119.449 119.300 -0.003 0.000 2.562 197 C HA 0.854 5.313 4.460 -0.001 0.000 0.332 197 C C 0.899 175.893 174.990 0.007 0.000 1.201 197 C CA -0.475 58.543 59.018 0.000 0.000 1.803 197 C CB 1.783 29.523 27.740 -0.000 0.000 2.328 197 C HN 0.565 nan 8.230 nan 0.000 0.500 198 S N 0.903 116.607 115.700 0.006 0.000 2.475 198 S HA 0.527 4.997 4.470 -0.001 0.000 0.281 198 S C -0.468 174.137 174.600 0.009 0.000 1.198 198 S CA -0.375 57.830 58.200 0.008 0.000 1.063 198 S CB 0.824 64.027 63.200 0.004 0.000 0.972 198 S HN 0.486 nan 8.310 nan 0.000 0.486 199 V N 4.987 124.910 119.914 0.014 0.000 2.448 199 V HA 0.431 4.551 4.120 -0.001 0.000 0.295 199 V C -0.392 175.708 176.094 0.009 0.000 1.025 199 V CA -0.612 61.698 62.300 0.017 0.000 0.859 199 V CB 1.439 33.281 31.823 0.031 0.000 0.988 199 V HN 0.763 nan 8.190 nan 0.000 0.431 200 I N 8.206 128.776 120.570 0.000 0.000 2.306 200 I HA 0.343 4.512 4.170 -0.001 0.000 0.288 200 I C -2.158 173.947 176.117 -0.020 0.000 1.036 200 I CA -1.727 59.565 61.300 -0.014 0.000 1.221 200 I CB 1.686 39.672 38.000 -0.024 0.000 1.385 200 I HN 0.432 nan 8.210 nan 0.000 0.472 201 P HA 0.275 nan 4.420 nan 0.000 0.280 201 P C -0.957 176.287 177.300 -0.092 0.000 1.244 201 P CA -0.288 62.798 63.100 -0.023 0.000 0.784 201 P CB 1.639 33.338 31.700 -0.002 0.000 0.913 202 L N 4.726 125.872 121.223 -0.128 0.000 2.376 202 L HA 0.300 4.639 4.340 -0.001 0.000 0.275 202 L C -0.328 176.388 176.870 -0.258 0.000 0.987 202 L CA -0.967 53.653 54.840 -0.367 0.000 0.828 202 L CB 0.959 42.761 42.059 -0.428 0.000 1.249 202 L HN 0.364 nan 8.230 nan 0.000 0.409 203 Y N 1.555 121.874 120.300 0.032 0.000 3.108 203 Y HA -0.273 4.277 4.550 -0.001 0.000 0.208 203 Y C 1.173 177.095 175.900 0.036 0.000 1.245 203 Y CA 0.057 58.165 58.100 0.012 0.000 1.171 203 Y CB -2.658 35.773 38.460 -0.049 0.000 1.331 203 Y HN 0.538 nan 8.280 nan 0.000 0.534 204 C N -0.517 118.859 119.300 0.126 0.000 2.791 204 C HA 0.101 4.560 4.460 -0.001 0.000 0.270 204 C C 1.125 176.165 174.990 0.085 0.000 1.257 204 C CA -0.410 58.671 59.018 0.104 0.000 1.699 204 C CB -0.453 27.331 27.740 0.074 0.000 1.904 204 C HN 0.372 nan 8.230 nan 0.000 0.603 205 E N 1.580 121.831 120.200 0.086 0.000 2.316 205 E HA 0.156 4.506 4.350 -0.001 0.000 0.275 205 E C -0.352 176.280 176.600 0.052 0.000 1.029 205 E CA 0.168 56.602 56.400 0.057 0.000 0.871 205 E CB 1.405 31.134 29.700 0.049 0.000 1.022 205 E HN 0.120 nan 8.360 nan 0.000 0.418 206 V N 3.992 123.923 119.914 0.028 0.000 2.446 206 V HA -0.000 4.119 4.120 -0.001 0.000 0.276 206 V C 0.250 176.322 176.094 -0.036 0.000 1.030 206 V CA 0.339 62.646 62.300 0.012 0.000 1.033 206 V CB 0.447 32.270 31.823 -0.001 0.000 0.993 206 V HN 0.532 nan 8.190 nan 0.000 0.477 207 D N 3.921 124.272 120.400 -0.082 0.000 2.375 207 D HA 0.294 4.933 4.640 -0.001 0.000 0.241 207 D C 0.984 177.026 176.300 -0.430 0.000 1.361 207 D CA -0.088 53.810 54.000 -0.170 0.000 0.995 207 D CB 1.589 42.330 40.800 -0.099 0.000 1.312 207 D HN 0.476 nan 8.370 nan 0.000 0.576 208 G N 2.725 111.238 108.800 -0.479 0.000 2.586 208 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.215 208 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.215 208 G C 1.141 175.563 174.900 -0.797 0.000 1.128 208 G CA 0.121 44.754 45.100 -0.778 0.000 0.774 208 G HN 0.474 nan 8.290 nan 0.000 0.543 209 N N 0.497 118.912 118.700 -0.476 0.000 2.494 209 N HA -0.034 4.705 4.740 -0.001 0.000 0.182 209 N C -0.014 175.409 175.510 -0.146 0.000 1.076 209 N CA 0.111 53.010 53.050 -0.252 0.000 0.908 209 N CB -0.078 38.330 38.487 -0.130 0.000 0.967 209 N HN 0.225 nan 8.380 nan 0.000 0.449 210 F N 0.274 120.195 119.950 -0.048 0.000 2.738 210 F HA -0.146 4.381 4.527 -0.001 0.000 0.232 210 F C -1.350 174.386 175.800 -0.107 0.000 1.025 210 F CA -0.415 57.536 58.000 -0.082 0.000 0.895 210 F CB -1.636 37.328 39.000 -0.060 0.000 0.839 210 F HN 0.185 nan 8.300 nan 0.000 0.850 211 P HA -0.039 nan 4.420 nan 0.000 0.242 211 P C 0.918 178.156 177.300 -0.103 0.000 1.197 211 P CA 0.992 64.070 63.100 -0.036 0.000 0.765 211 P CB 0.431 32.105 31.700 -0.044 0.000 0.936 212 N N -0.298 118.269 118.700 -0.221 0.000 2.638 212 N HA 0.042 4.782 4.740 -0.001 0.000 0.220 212 N C 0.387 175.725 175.510 -0.287 0.000 1.031 212 N CA 0.707 53.502 53.050 -0.425 0.000 1.062 212 N CB 0.036 37.884 38.487 -1.064 0.000 1.406 212 N HN 0.388 nan 8.380 nan 0.000 0.495 213 H N -2.954 115.969 119.070 -0.244 0.000 2.980 213 H HA 0.481 5.036 4.556 -0.001 0.000 0.367 213 H C -0.051 175.212 175.328 -0.108 0.000 1.206 213 H CA -0.649 55.321 56.048 -0.130 0.000 1.126 213 H CB -0.443 29.257 29.762 -0.104 0.000 1.838 213 H HN 0.249 nan 8.280 nan 0.000 0.552 214 H N 0.520 119.647 119.070 0.097 0.000 3.064 214 H HA 0.207 4.763 4.556 -0.001 0.000 0.329 214 H C -2.277 173.061 175.328 0.015 0.000 1.020 214 H CA -1.124 54.899 56.048 -0.043 0.000 1.402 214 H CB -0.451 29.294 29.762 -0.027 0.000 1.379 214 H HN 0.766 nan 8.280 nan 0.000 0.594 215 P HA 0.197 nan 4.420 nan 0.000 0.231 215 P C -1.054 176.222 177.300 -0.041 0.000 1.811 215 P CA 0.175 63.197 63.100 -0.130 0.000 1.051 215 P CB -0.101 31.393 31.700 -0.344 0.000 1.951 216 D N 3.099 123.504 120.400 0.009 0.000 2.364 216 D HA 0.158 4.797 4.640 -0.001 0.000 0.251 216 D C -1.820 174.435 176.300 -0.074 0.000 1.282 216 D CA -2.188 51.790 54.000 -0.037 0.000 0.927 216 D CB 1.315 42.109 40.800 -0.009 0.000 1.267 216 D HN 0.051 nan 8.370 nan 0.000 0.531 217 P HA 0.077 nan 4.420 nan 0.000 0.242 217 P C 1.217 178.453 177.300 -0.107 0.000 1.197 217 P CA 0.230 63.264 63.100 -0.110 0.000 0.765 217 P CB 0.297 31.924 31.700 -0.121 0.000 0.936 218 G N 0.041 108.786 108.800 -0.091 0.000 2.572 218 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.216 218 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.216 218 G C 0.611 175.521 174.900 0.016 0.000 1.133 218 G CA 0.079 45.161 45.100 -0.030 0.000 0.791 218 G HN 0.275 nan 8.290 nan 0.000 0.538 219 K N 0.613 120.994 120.400 -0.031 0.000 2.240 219 K HA 0.304 4.623 4.320 -0.001 0.000 0.271 219 K C -1.838 174.739 176.600 -0.038 0.000 1.018 219 K CA -1.993 54.285 56.287 -0.015 0.000 0.874 219 K CB 2.514 34.996 32.500 -0.030 0.000 1.098 219 K HN -0.196 nan 8.250 nan 0.000 0.458 220 P HA -0.292 nan 4.420 nan 0.000 0.217 220 P C 0.917 178.176 177.300 -0.069 0.000 1.151 220 P CA 1.297 64.378 63.100 -0.031 0.000 0.849 220 P CB 0.227 31.940 31.700 0.021 0.000 0.787 221 E N -0.709 119.456 120.200 -0.058 0.000 2.153 221 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 221 E C 1.133 177.650 176.600 -0.138 0.000 0.988 221 E CA 1.196 57.555 56.400 -0.069 0.000 0.811 221 E CB -1.250 28.426 29.700 -0.040 0.000 0.746 221 E HN 0.286 nan 8.360 nan 0.000 0.466 222 N N 0.562 119.142 118.700 -0.200 0.000 2.515 222 N HA 0.053 4.792 4.740 -0.001 0.000 0.185 222 N C 1.481 176.690 175.510 -0.502 0.000 1.109 222 N CA 0.452 53.237 53.050 -0.442 0.000 0.903 222 N CB 0.178 38.466 38.487 -0.331 0.000 0.969 222 N HN 0.300 nan 8.380 nan 0.000 0.450 223 L N -0.105 120.962 121.223 -0.259 0.000 2.693 223 L HA 0.158 4.497 4.340 -0.001 0.000 0.235 223 L C 2.372 179.172 176.870 -0.118 0.000 1.127 223 L CA 0.060 54.788 54.840 -0.186 0.000 0.914 223 L CB -0.160 41.797 42.059 -0.170 0.000 1.193 223 L HN 0.012 nan 8.230 nan 0.000 0.502 224 K N 0.372 120.711 120.400 -0.102 0.000 2.032 224 K HA -0.224 4.095 4.320 -0.001 0.000 0.209 224 K C 1.598 178.194 176.600 -0.007 0.000 1.048 224 K CA 2.220 58.480 56.287 -0.045 0.000 0.927 224 K CB -0.773 31.710 32.500 -0.028 0.000 0.712 224 K HN 0.233 nan 8.250 nan 0.000 0.441 225 D N 0.099 120.523 120.400 0.040 0.000 2.117 225 D HA -0.093 4.546 4.640 -0.001 0.000 0.198 225 D C 1.945 178.267 176.300 0.036 0.000 0.982 225 D CA 1.284 55.342 54.000 0.097 0.000 0.828 225 D CB -0.325 40.647 40.800 0.285 0.000 0.967 225 D HN 0.274 nan 8.370 nan 0.000 0.464 226 L N 0.938 122.172 121.223 0.019 0.000 2.012 226 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 226 L C 2.161 179.005 176.870 -0.043 0.000 1.073 226 L CA 1.437 56.261 54.840 -0.026 0.000 0.748 226 L CB -0.553 41.479 42.059 -0.045 0.000 0.891 226 L HN -0.014 nan 8.230 nan 0.000 0.431 227 I N -0.377 120.163 120.570 -0.050 0.000 2.163 227 I HA -0.338 3.831 4.170 -0.001 0.000 0.243 227 I C 2.602 178.699 176.117 -0.033 0.000 1.085 227 I CA 1.361 62.631 61.300 -0.051 0.000 1.347 227 I CB -0.689 37.278 38.000 -0.057 0.000 1.044 227 I HN 0.401 nan 8.210 nan 0.000 0.408 228 A N 0.466 123.274 122.820 -0.020 0.000 1.902 228 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 228 A C 2.273 179.848 177.584 -0.016 0.000 1.181 228 A CA 2.006 54.036 52.037 -0.012 0.000 0.623 228 A CB -0.452 18.549 19.000 0.002 0.000 0.818 228 A HN 0.251 nan 8.150 nan 0.000 0.443 229 K N -0.212 120.175 120.400 -0.022 0.000 2.057 229 K HA -0.033 4.286 4.320 -0.001 0.000 0.206 229 K C 1.700 178.282 176.600 -0.029 0.000 1.050 229 K CA 1.560 57.829 56.287 -0.030 0.000 0.935 229 K CB -0.640 31.830 32.500 -0.050 0.000 0.715 229 K HN 0.173 nan 8.250 nan 0.000 0.439 230 V N 1.259 121.154 119.914 -0.032 0.000 2.287 230 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 230 V C 2.157 178.239 176.094 -0.021 0.000 1.053 230 V CA 2.109 64.391 62.300 -0.029 0.000 1.027 230 V CB -0.380 31.421 31.823 -0.037 0.000 0.646 230 V HN 0.362 nan 8.190 nan 0.000 0.447 231 K N -0.028 120.360 120.400 -0.020 0.000 2.001 231 K HA -0.107 4.213 4.320 -0.001 0.000 0.208 231 K C 2.334 178.928 176.600 -0.011 0.000 1.048 231 K CA 1.453 57.732 56.287 -0.014 0.000 0.932 231 K CB -0.485 32.007 32.500 -0.014 0.000 0.715 231 K HN 0.457 nan 8.250 nan 0.000 0.437 232 A N 1.621 124.435 122.820 -0.011 0.000 1.940 232 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 232 A C 1.656 179.235 177.584 -0.009 0.000 1.176 232 A CA 1.578 53.609 52.037 -0.009 0.000 0.631 232 A CB -0.180 18.815 19.000 -0.009 0.000 0.814 232 A HN 0.187 nan 8.150 nan 0.000 0.446 233 E N -0.562 119.630 120.200 -0.012 0.000 2.474 233 E HA 0.044 4.393 4.350 -0.001 0.000 0.195 233 E C -0.426 176.169 176.600 -0.009 0.000 1.039 233 E CA 0.040 56.434 56.400 -0.011 0.000 0.881 233 E CB -0.505 29.186 29.700 -0.015 0.000 0.970 233 E HN 0.752 nan 8.360 nan 0.000 0.486 234 N N 0.674 119.369 118.700 -0.008 0.000 2.725 234 N HA -0.207 4.533 4.740 -0.001 0.000 0.251 234 N C -0.315 175.192 175.510 -0.005 0.000 1.031 234 N CA 0.249 53.296 53.050 -0.005 0.000 0.720 234 N CB -0.793 37.693 38.487 -0.002 0.000 0.930 234 N HN 0.185 nan 8.380 nan 0.000 0.543 235 A N -0.119 122.696 122.820 -0.008 0.000 2.304 235 A HA 0.272 4.591 4.320 -0.001 0.000 0.271 235 A C 0.997 178.578 177.584 -0.004 0.000 1.091 235 A CA -0.360 51.672 52.037 -0.008 0.000 0.812 235 A CB 0.514 19.505 19.000 -0.014 0.000 1.056 235 A HN 0.250 nan 8.150 nan 0.000 0.489 236 D N -0.799 119.601 120.400 -0.001 0.000 2.277 236 D HA 0.172 4.811 4.640 -0.001 0.000 0.208 236 D C -0.126 176.179 176.300 0.009 0.000 0.962 236 D CA 1.177 55.181 54.000 0.007 0.000 0.865 236 D CB 0.123 40.927 40.800 0.006 0.000 0.939 236 D HN 0.284 nan 8.370 nan 0.000 0.510 237 L N -1.106 120.115 121.223 -0.003 0.000 2.724 237 L HA 0.516 4.856 4.340 -0.001 0.000 0.258 237 L C -1.323 175.527 176.870 -0.033 0.000 0.967 237 L CA -0.572 54.262 54.840 -0.010 0.000 0.891 237 L CB 2.103 44.165 42.059 0.004 0.000 1.456 237 L HN -0.102 nan 8.230 nan 0.000 0.416 238 G N 2.806 111.570 108.800 -0.060 0.000 2.513 238 G HA2 0.708 4.667 3.960 -0.001 0.000 0.317 238 G HA3 0.708 4.667 3.960 -0.001 0.000 0.317 238 G C -1.887 172.936 174.900 -0.128 0.000 1.277 238 G CA -0.514 44.536 45.100 -0.083 0.000 0.955 238 G HN 0.574 nan 8.290 nan 0.000 0.484 239 L N 1.036 122.165 121.223 -0.156 0.000 2.381 239 L HA 0.809 5.148 4.340 -0.001 0.000 0.268 239 L C 0.145 176.789 176.870 -0.377 0.000 0.997 239 L CA -0.970 53.692 54.840 -0.297 0.000 0.818 239 L CB 2.411 44.279 42.059 -0.318 0.000 1.310 239 L HN 0.668 nan 8.230 nan 0.000 0.416 240 A N 2.250 124.772 122.820 -0.497 0.000 2.386 240 A HA 0.894 5.213 4.320 -0.001 0.000 0.311 240 A C -1.433 175.788 177.584 -0.604 0.000 1.068 240 A CA -0.338 51.465 52.037 -0.389 0.000 0.743 240 A CB 1.066 19.962 19.000 -0.173 0.000 1.258 240 A HN 0.448 nan 8.150 nan 0.000 0.429 241 F N 1.308 121.274 119.950 0.026 0.000 2.522 241 F HA 0.426 4.952 4.527 -0.001 0.000 0.324 241 F C 0.708 176.510 175.800 0.004 0.000 1.077 241 F CA -0.673 57.332 58.000 0.009 0.000 0.944 241 F CB 1.581 40.594 39.000 0.021 0.000 1.175 241 F HN 0.738 nan 8.300 nan 0.000 0.468 242 D N 0.610 121.104 120.400 0.157 0.000 0.000 242 D HA 0.136 4.775 4.640 -0.001 0.000 0.000 242 D C 1.427 177.772 176.300 0.075 0.000 0.000 242 D CA -0.147 53.896 54.000 0.071 0.000 0.000 242 D CB 0.326 41.139 40.800 0.022 0.000 0.000 242 D HN 0.610 nan 8.370 nan 0.000 0.000 243 G N -0.337 108.469 108.800 0.010 0.000 2.469 243 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.220 243 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.220 243 G C 0.893 175.833 174.900 0.066 0.000 1.136 243 G CA 1.389 46.495 45.100 0.010 0.000 0.759 243 G HN 0.743 nan 8.290 nan 0.000 0.562 244 D N -1.400 119.020 120.400 0.033 0.000 2.398 244 D HA 0.219 4.858 4.640 -0.001 0.000 0.210 244 D C 1.569 177.846 176.300 -0.039 0.000 1.094 244 D CA 0.566 54.561 54.000 -0.009 0.000 0.839 244 D CB -0.390 40.391 40.800 -0.031 0.000 0.963 244 D HN 0.536 nan 8.370 nan 0.000 0.506 245 G N 2.251 111.053 108.800 0.004 0.000 2.148 245 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.254 245 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.254 245 G C 0.441 175.361 174.900 0.034 0.000 0.981 245 G CA 0.530 45.628 45.100 -0.004 0.000 0.670 245 G HN 0.521 nan 8.290 nan 0.000 0.528 246 D N -0.696 119.708 120.400 0.008 0.000 2.349 246 D HA 0.159 4.799 4.640 -0.001 0.000 0.214 246 D C 1.036 177.247 176.300 -0.148 0.000 1.063 246 D CA 0.100 54.107 54.000 0.011 0.000 0.847 246 D CB 0.238 41.083 40.800 0.074 0.000 0.933 246 D HN 0.543 nan 8.370 nan 0.000 0.513 247 R N -0.256 120.161 120.500 -0.139 0.000 2.750 247 R HA 0.694 5.034 4.340 -0.001 0.000 0.281 247 R C -1.492 174.824 176.300 0.026 0.000 0.972 247 R CA -1.034 54.952 56.100 -0.189 0.000 0.912 247 R CB 3.159 33.275 30.300 -0.306 0.000 1.187 247 R HN -0.024 nan 8.270 nan 0.000 0.464 248 V N 0.753 120.661 119.914 -0.011 0.000 2.876 248 V HA 0.829 4.948 4.120 -0.001 0.000 0.312 248 V C -0.734 175.271 176.094 -0.148 0.000 1.085 248 V CA -0.397 61.850 62.300 -0.089 0.000 0.945 248 V CB 2.181 34.000 31.823 -0.007 0.000 1.017 248 V HN 0.903 nan 8.190 nan 0.000 0.428 249 G N 3.575 112.225 108.800 -0.250 0.000 2.481 249 G HA2 0.696 4.655 3.960 -0.001 0.000 0.315 249 G HA3 0.696 4.655 3.960 -0.001 0.000 0.315 249 G C -1.745 172.988 174.900 -0.280 0.000 1.231 249 G CA -0.613 44.342 45.100 -0.242 0.000 0.968 249 G HN 0.891 nan 8.290 nan 0.000 0.482 250 V N 0.535 120.276 119.914 -0.288 0.000 2.760 250 V HA 0.646 4.765 4.120 -0.001 0.000 0.309 250 V C -0.652 175.269 176.094 -0.289 0.000 1.077 250 V CA -0.666 61.470 62.300 -0.273 0.000 0.910 250 V CB 1.932 33.582 31.823 -0.289 0.000 1.008 250 V HN 0.610 nan 8.190 nan 0.000 0.424 251 V N 2.917 122.703 119.914 -0.214 0.000 2.709 251 V HA 0.565 4.684 4.120 -0.001 0.000 0.308 251 V C 0.369 176.394 176.094 -0.117 0.000 1.062 251 V CA -0.407 61.784 62.300 -0.182 0.000 0.901 251 V CB 2.633 34.365 31.823 -0.152 0.000 1.003 251 V HN 1.068 nan 8.190 nan 0.000 0.425 252 T N 0.665 115.163 114.554 -0.094 0.000 2.754 252 T HA 0.110 4.460 4.350 -0.001 0.000 0.286 252 T C 1.342 176.029 174.700 -0.020 0.000 0.997 252 T CA 0.092 62.179 62.100 -0.022 0.000 0.982 252 T CB 0.386 69.255 68.868 0.002 0.000 1.027 252 T HN 0.779 nan 8.240 nan 0.000 0.529 253 N N 0.273 118.976 118.700 0.005 0.000 2.364 253 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 253 N C 1.435 176.940 175.510 -0.008 0.000 1.022 253 N CA 1.673 54.724 53.050 0.001 0.000 0.883 253 N CB -0.920 37.578 38.487 0.018 0.000 0.965 253 N HN 0.844 nan 8.380 nan 0.000 0.438 254 T N -5.139 109.406 114.554 -0.016 0.000 3.086 254 T HA 0.429 4.778 4.350 -0.001 0.000 0.250 254 T C 1.297 175.977 174.700 -0.034 0.000 1.074 254 T CA 0.339 62.425 62.100 -0.023 0.000 0.988 254 T CB -0.017 68.833 68.868 -0.032 0.000 0.988 254 T HN 0.381 nan 8.240 nan 0.000 0.530 255 G N 1.087 109.860 108.800 -0.045 0.000 2.157 255 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.248 255 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.248 255 G C 0.120 174.973 174.900 -0.077 0.000 0.979 255 G CA -0.008 45.056 45.100 -0.058 0.000 0.650 255 G HN 0.682 nan 8.290 nan 0.000 0.529 256 T N 1.540 116.047 114.554 -0.079 0.000 2.834 256 T HA 0.459 4.808 4.350 -0.001 0.000 0.298 256 T C 1.067 175.668 174.700 -0.165 0.000 0.966 256 T CA 0.088 62.130 62.100 -0.097 0.000 1.141 256 T CB 1.051 69.874 68.868 -0.075 0.000 0.905 256 T HN 0.322 nan 8.240 nan 0.000 0.535 257 I N 4.259 124.704 120.570 -0.207 0.000 2.471 257 I HA 0.124 4.294 4.170 -0.001 0.000 0.286 257 I C 0.185 176.038 176.117 -0.439 0.000 1.079 257 I CA -0.282 60.790 61.300 -0.381 0.000 1.398 257 I CB 0.434 38.124 38.000 -0.516 0.000 1.403 257 I HN 0.366 nan 8.210 nan 0.000 0.530 258 I N 7.965 128.232 120.570 -0.506 0.000 2.307 258 I HA 0.205 4.374 4.170 -0.001 0.000 0.287 258 I C -0.013 175.817 176.117 -0.478 0.000 1.054 258 I CA -0.555 60.431 61.300 -0.524 0.000 1.218 258 I CB -0.162 37.332 38.000 -0.843 0.000 1.398 258 I HN 0.378 nan 8.210 nan 0.000 0.475 259 Y N 7.916 128.090 120.300 -0.210 0.000 2.457 259 Y HA 0.110 4.659 4.550 -0.001 0.000 0.341 259 Y C -1.049 174.764 175.900 -0.144 0.000 1.240 259 Y CA -0.984 57.030 58.100 -0.143 0.000 1.437 259 Y CB 0.036 38.444 38.460 -0.085 0.000 1.328 259 Y HN 0.423 nan 8.280 nan 0.000 0.588 260 P HA -0.162 nan 4.420 nan 0.000 0.220 260 P C 0.775 178.094 177.300 0.032 0.000 1.148 260 P CA 1.770 64.890 63.100 0.033 0.000 0.803 260 P CB 0.163 31.916 31.700 0.089 0.000 0.782 261 D N -0.422 120.006 120.400 0.047 0.000 2.178 261 D HA -0.164 4.475 4.640 -0.001 0.000 0.202 261 D C 1.755 178.016 176.300 -0.066 0.000 0.974 261 D CA 1.227 55.224 54.000 -0.004 0.000 0.841 261 D CB -0.846 39.949 40.800 -0.009 0.000 0.953 261 D HN 0.172 nan 8.370 nan 0.000 0.478 262 R N -0.071 120.392 120.500 -0.062 0.000 2.093 262 R HA 0.182 4.522 4.340 -0.001 0.000 0.224 262 R C 2.654 178.875 176.300 -0.132 0.000 1.101 262 R CA 0.239 56.278 56.100 -0.102 0.000 0.979 262 R CB -0.271 29.999 30.300 -0.051 0.000 0.877 262 R HN 0.210 nan 8.270 nan 0.000 0.441 263 L N 0.636 121.742 121.223 -0.196 0.000 2.013 263 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 263 L C 2.359 179.046 176.870 -0.305 0.000 1.073 263 L CA 1.058 55.739 54.840 -0.265 0.000 0.753 263 L CB -0.448 41.442 42.059 -0.281 0.000 0.890 263 L HN 0.180 nan 8.230 nan 0.000 0.432 264 L N -0.613 120.540 121.223 -0.116 0.000 2.131 264 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 264 L C 2.469 179.296 176.870 -0.073 0.000 1.092 264 L CA 1.637 56.479 54.840 0.003 0.000 0.759 264 L CB -0.323 41.767 42.059 0.051 0.000 0.903 264 L HN 0.188 nan 8.230 nan 0.000 0.435 265 M N -1.918 117.556 119.600 -0.210 0.000 2.080 265 M HA -0.250 4.229 4.480 -0.001 0.000 0.260 265 M C 2.150 178.230 176.300 -0.366 0.000 1.068 265 M CA 1.731 56.815 55.300 -0.360 0.000 1.109 265 M CB -0.587 31.593 32.600 -0.699 0.000 1.342 265 M HN 0.316 nan 8.290 nan 0.000 0.405 266 L N -0.133 120.882 121.223 -0.347 0.000 2.027 266 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 266 L C 2.071 178.952 176.870 0.018 0.000 1.074 266 L CA 1.865 56.607 54.840 -0.164 0.000 0.745 266 L CB -0.608 41.351 42.059 -0.167 0.000 0.898 266 L HN 0.079 nan 8.230 nan 0.000 0.433 267 F N 0.015 119.985 119.950 0.034 0.000 2.171 267 F HA -0.113 4.414 4.527 -0.001 0.000 0.300 267 F C 2.562 178.372 175.800 0.018 0.000 1.090 267 F CA 0.814 58.860 58.000 0.076 0.000 1.293 267 F CB -1.658 37.386 39.000 0.074 0.000 1.013 267 F HN 0.203 nan 8.300 nan 0.000 0.486 268 A N -0.129 122.787 122.820 0.160 0.000 1.898 268 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 268 A C 2.340 179.933 177.584 0.016 0.000 1.181 268 A CA 1.800 53.885 52.037 0.080 0.000 0.620 268 A CB -0.782 18.253 19.000 0.059 0.000 0.819 268 A HN 0.337 nan 8.150 nan 0.000 0.442 269 K N -0.245 120.114 120.400 -0.069 0.000 2.032 269 K HA -0.277 4.042 4.320 -0.001 0.000 0.209 269 K C 1.809 178.287 176.600 -0.203 0.000 1.048 269 K CA 2.118 58.198 56.287 -0.345 0.000 0.927 269 K CB -0.323 31.941 32.500 -0.392 0.000 0.712 269 K HN 0.447 nan 8.250 nan 0.000 0.441 270 D N -0.163 120.215 120.400 -0.036 0.000 2.087 270 D HA -0.161 4.479 4.640 -0.001 0.000 0.192 270 D C 1.846 178.166 176.300 0.033 0.000 0.993 270 D CA 1.743 55.757 54.000 0.023 0.000 0.828 270 D CB -0.020 40.858 40.800 0.130 0.000 0.968 270 D HN 0.080 nan 8.370 nan 0.000 0.448 271 V N -0.076 119.887 119.914 0.082 0.000 2.295 271 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 271 V C 2.647 178.764 176.094 0.039 0.000 1.049 271 V CA 1.494 63.842 62.300 0.081 0.000 1.024 271 V CB -0.452 31.434 31.823 0.106 0.000 0.648 271 V HN 0.183 nan 8.190 nan 0.000 0.447 272 V N 1.054 120.981 119.914 0.021 0.000 2.490 272 V HA -0.226 3.893 4.120 -0.001 0.000 0.250 272 V C 2.731 178.828 176.094 0.005 0.000 1.061 272 V CA 2.037 64.351 62.300 0.023 0.000 1.064 272 V CB -0.927 30.927 31.823 0.052 0.000 0.670 272 V HN 0.781 nan 8.190 nan 0.000 0.461 273 S N 0.889 116.565 115.700 -0.039 0.000 2.402 273 S HA -0.256 4.213 4.470 -0.001 0.000 0.233 273 S C 1.940 176.537 174.600 -0.005 0.000 1.030 273 S CA 1.644 59.822 58.200 -0.037 0.000 1.003 273 S CB -0.403 62.755 63.200 -0.069 0.000 0.813 273 S HN 0.667 nan 8.310 nan 0.000 0.477 274 R N 0.864 121.366 120.500 0.003 0.000 2.334 274 R HA 0.321 4.660 4.340 -0.001 0.000 0.212 274 R C -0.280 176.029 176.300 0.015 0.000 0.897 274 R CA 0.067 56.173 56.100 0.009 0.000 1.056 274 R CB 0.224 30.531 30.300 0.011 0.000 1.046 274 R HN 0.391 nan 8.270 nan 0.000 0.513 275 N N 1.364 120.077 118.700 0.020 0.000 2.726 275 N HA 0.172 4.911 4.740 -0.001 0.000 0.253 275 N C -2.862 172.664 175.510 0.027 0.000 1.530 275 N CA -1.139 51.925 53.050 0.022 0.000 0.772 275 N CB 1.817 40.319 38.487 0.026 0.000 1.220 275 N HN -0.075 nan 8.380 nan 0.000 0.508 276 P HA 0.031 nan 4.420 nan 0.000 0.262 276 P C 1.083 178.400 177.300 0.029 0.000 1.182 276 P CA 1.014 64.133 63.100 0.033 0.000 0.761 276 P CB 0.522 32.240 31.700 0.029 0.000 0.795 277 G N 1.775 110.597 108.800 0.036 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 0.455 175.369 174.900 0.022 0.000 0.977 277 G CA 0.085 45.202 45.100 0.028 0.000 0.641 277 G HN 0.885 nan 8.290 nan 0.000 0.533 278 A N 0.003 122.838 122.820 0.026 0.000 2.531 278 A HA 0.496 4.815 4.320 -0.001 0.000 0.236 278 A C 0.693 178.288 177.584 0.018 0.000 1.062 278 A CA 1.381 53.429 52.037 0.019 0.000 0.760 278 A CB -0.240 18.776 19.000 0.026 0.000 0.995 278 A HN 1.800 nan 8.150 nan 0.000 0.501 279 D N 1.722 122.121 120.400 -0.001 0.000 2.350 279 D HA 0.503 5.142 4.640 -0.001 0.000 0.249 279 D C -0.282 176.018 176.300 -0.000 0.000 1.119 279 D CA -0.144 53.849 54.000 -0.011 0.000 0.886 279 D CB 0.415 41.185 40.800 -0.049 0.000 1.195 279 D HN 0.427 nan 8.370 nan 0.000 0.437 280 I N 1.982 122.569 120.570 0.027 0.000 2.447 280 I HA 0.357 4.527 4.170 -0.001 0.000 0.287 280 I C -0.148 176.016 176.117 0.078 0.000 1.023 280 I CA -0.672 60.663 61.300 0.058 0.000 1.083 280 I CB 1.332 39.394 38.000 0.104 0.000 1.245 280 I HN 0.476 nan 8.210 nan 0.000 0.434 281 I N 7.041 127.619 120.570 0.013 0.000 2.385 281 I HA 0.443 4.613 4.170 -0.001 0.000 0.294 281 I C -0.503 175.651 176.117 0.062 0.000 0.988 281 I CA -0.559 60.695 61.300 -0.077 0.000 1.265 281 I CB 1.175 39.075 38.000 -0.168 0.000 1.388 281 I HN 0.430 nan 8.210 nan 0.000 0.480 282 F N 2.960 122.899 119.950 -0.018 0.000 2.613 282 F HA 0.580 5.107 4.527 -0.000 0.000 0.310 282 F C -0.690 175.103 175.800 -0.011 0.000 1.085 282 F CA -1.320 56.672 58.000 -0.013 0.000 0.945 282 F CB 0.744 39.721 39.000 -0.038 0.000 1.298 282 F HN 0.426 nan 8.300 nan 0.000 0.455 283 D N 0.897 121.375 120.400 0.129 0.000 2.387 283 D HA 0.155 4.795 4.640 -0.001 0.000 0.251 283 D C 1.281 177.593 176.300 0.021 0.000 1.141 283 D CA -0.253 53.755 54.000 0.013 0.000 0.987 283 D CB 1.705 42.519 40.800 0.023 0.000 1.116 283 D HN 0.715 nan 8.370 nan 0.000 0.491 284 V N -1.721 118.152 119.914 -0.069 0.000 3.026 284 V HA -0.170 3.949 4.120 -0.001 0.000 0.265 284 V C 1.645 177.686 176.094 -0.088 0.000 1.121 284 V CA 1.131 63.370 62.300 -0.100 0.000 1.142 284 V CB -1.138 30.618 31.823 -0.112 0.000 0.730 284 V HN 0.460 nan 8.190 nan 0.000 0.503 285 K N -0.525 119.877 120.400 0.003 0.000 2.426 285 K HA 0.207 4.526 4.320 -0.001 0.000 0.193 285 K C 0.673 177.335 176.600 0.103 0.000 1.028 285 K CA 0.183 56.531 56.287 0.101 0.000 1.047 285 K CB 0.011 32.568 32.500 0.094 0.000 0.821 285 K HN 0.537 nan 8.250 nan 0.000 0.513 286 C N 1.013 120.287 119.300 -0.044 0.000 2.459 286 C HA 0.150 4.609 4.460 -0.001 0.000 0.374 286 C C 1.080 175.871 174.990 -0.332 0.000 1.241 286 C CA -0.924 58.049 59.018 -0.076 0.000 2.352 286 C CB 0.970 28.701 27.740 -0.016 0.000 2.490 286 C HN 0.320 nan 8.230 nan 0.000 0.583 287 T N 1.472 115.942 114.554 -0.139 0.000 2.934 287 T HA 0.024 4.373 4.350 -0.001 0.000 0.306 287 T C 1.561 176.023 174.700 -0.396 0.000 1.042 287 T CA 0.060 62.109 62.100 -0.084 0.000 1.145 287 T CB 0.281 69.180 68.868 0.052 0.000 0.982 287 T HN 0.835 nan 8.240 nan 0.000 0.544 288 R N 4.259 124.490 120.500 -0.449 0.000 2.200 288 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 288 R C 1.871 178.044 176.300 -0.211 0.000 1.127 288 R CA 0.809 56.692 56.100 -0.363 0.000 0.989 288 R CB -0.145 30.051 30.300 -0.172 0.000 0.869 288 R HN 0.461 nan 8.270 nan 0.000 0.459 289 R N 1.188 121.616 120.500 -0.121 0.000 2.159 289 R HA -0.031 4.309 4.340 -0.001 0.000 0.237 289 R C 2.225 178.424 176.300 -0.169 0.000 1.131 289 R CA 0.880 56.928 56.100 -0.087 0.000 0.982 289 R CB -0.691 29.597 30.300 -0.019 0.000 0.868 289 R HN 0.378 nan 8.270 nan 0.000 0.453 290 L N 0.351 121.388 121.223 -0.309 0.000 2.046 290 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 290 L C 2.284 178.920 176.870 -0.390 0.000 1.077 290 L CA 1.223 55.807 54.840 -0.427 0.000 0.747 290 L CB -0.331 41.265 42.059 -0.772 0.000 0.896 290 L HN 0.106 nan 8.230 nan 0.000 0.432 291 I N -0.497 119.836 120.570 -0.394 0.000 2.127 291 I HA -0.310 3.859 4.170 -0.001 0.000 0.241 291 I C 2.796 178.866 176.117 -0.079 0.000 1.075 291 I CA 1.337 62.539 61.300 -0.164 0.000 1.334 291 I CB -0.643 37.319 38.000 -0.063 0.000 1.040 291 I HN 0.199 nan 8.210 nan 0.000 0.405 292 A N 0.873 123.643 122.820 -0.083 0.000 1.877 292 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 292 A C 2.375 179.918 177.584 -0.068 0.000 1.186 292 A CA 1.711 53.715 52.037 -0.056 0.000 0.620 292 A CB -0.974 17.999 19.000 -0.045 0.000 0.822 292 A HN 0.434 nan 8.150 nan 0.000 0.443 293 L N -0.326 120.852 121.223 -0.074 0.000 2.012 293 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 293 L C 2.390 179.271 176.870 0.017 0.000 1.073 293 L CA 1.875 56.683 54.840 -0.054 0.000 0.748 293 L CB -0.264 41.782 42.059 -0.022 0.000 0.891 293 L HN 0.462 nan 8.230 nan 0.000 0.431 294 I N -1.148 119.440 120.570 0.031 0.000 2.179 294 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 294 I C 2.501 178.670 176.117 0.087 0.000 1.088 294 I CA 1.416 62.776 61.300 0.099 0.000 1.357 294 I CB -0.433 37.614 38.000 0.078 0.000 1.051 294 I HN 0.195 nan 8.210 nan 0.000 0.409 295 S N 0.740 116.461 115.700 0.034 0.000 2.370 295 S HA -0.161 4.309 4.470 -0.001 0.000 0.226 295 S C 2.119 176.716 174.600 -0.004 0.000 1.033 295 S CA 1.481 59.693 58.200 0.021 0.000 1.011 295 S CB -0.783 62.421 63.200 0.006 0.000 0.852 295 S HN 0.669 nan 8.310 nan 0.000 0.457 296 G N -0.482 108.275 108.800 -0.072 0.000 2.422 296 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.218 296 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.218 296 G C 0.853 175.655 174.900 -0.164 0.000 1.140 296 G CA 0.451 45.452 45.100 -0.165 0.000 0.775 296 G HN 0.520 nan 8.290 nan 0.000 0.545 297 Y N 0.352 120.670 120.300 0.029 0.000 2.490 297 Y HA 0.332 4.882 4.550 -0.001 0.000 0.281 297 Y C 2.049 177.966 175.900 0.027 0.000 1.174 297 Y CA -0.408 57.712 58.100 0.033 0.000 1.295 297 Y CB 0.122 38.607 38.460 0.041 0.000 1.062 297 Y HN 0.282 nan 8.280 nan 0.000 0.522 298 G N -0.226 108.656 108.800 0.137 0.000 2.137 298 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.237 298 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.237 298 G C 0.630 175.580 174.900 0.084 0.000 1.002 298 G CA -0.040 45.114 45.100 0.090 0.000 0.702 298 G HN 0.725 nan 8.290 nan 0.000 0.515 299 G N -0.914 107.946 108.800 0.100 0.000 2.502 299 G HA2 0.616 4.576 3.960 -0.001 0.000 0.305 299 G HA3 0.616 4.576 3.960 -0.001 0.000 0.305 299 G C -0.009 174.929 174.900 0.063 0.000 1.190 299 G CA -0.961 44.187 45.100 0.080 0.000 0.933 299 G HN 0.428 nan 8.290 nan 0.000 0.503 300 R N 1.516 122.046 120.500 0.050 0.000 2.239 300 R HA 0.278 4.617 4.340 -0.001 0.000 0.332 300 R C -2.488 173.849 176.300 0.062 0.000 0.988 300 R CA -1.480 54.644 56.100 0.040 0.000 0.859 300 R CB 1.837 32.144 30.300 0.011 0.000 1.148 300 R HN 0.363 nan 8.270 nan 0.000 0.482 301 P HA 0.075 nan 4.420 nan 0.000 0.276 301 P C -0.557 176.795 177.300 0.087 0.000 1.235 301 P CA -0.207 63.028 63.100 0.226 0.000 0.772 301 P CB 1.338 33.231 31.700 0.322 0.000 0.871 302 V N 5.390 125.260 119.914 -0.073 0.000 2.349 302 V HA 0.304 4.423 4.120 -0.001 0.000 0.284 302 V C 0.461 176.159 176.094 -0.661 0.000 1.014 302 V CA -0.607 61.538 62.300 -0.259 0.000 0.826 302 V CB 1.395 33.091 31.823 -0.211 0.000 1.009 302 V HN 0.610 nan 8.190 nan 0.000 0.431 303 M N 5.645 124.837 119.600 -0.681 0.000 2.211 303 M HA 0.427 4.907 4.480 -0.001 0.000 0.356 303 M C -0.963 175.215 176.300 -0.204 0.000 1.216 303 M CA 0.161 54.953 55.300 -0.847 0.000 1.134 303 M CB 1.124 33.431 32.600 -0.489 0.000 1.564 303 M HN 0.814 nan 8.290 nan 0.000 0.463 304 W N 3.968 124.994 121.300 -0.457 0.000 3.003 304 W HA 0.375 5.034 4.660 -0.002 0.000 0.362 304 W C -1.030 175.372 176.519 -0.195 0.000 1.213 304 W CA -0.902 56.275 57.345 -0.279 0.000 1.157 304 W CB 1.570 30.871 29.460 -0.266 0.000 1.493 304 W HN 0.496 nan 8.180 nan 0.000 0.589 305 K N 1.618 121.403 120.400 -1.025 0.000 2.436 305 K HA 0.130 4.449 4.320 -0.001 0.000 0.275 305 K C 0.178 176.604 176.600 -0.290 0.000 0.999 305 K CA 0.447 56.324 56.287 -0.683 0.000 0.980 305 K CB 0.591 32.584 32.500 -0.844 0.000 0.919 305 K HN 0.157 nan 8.250 nan 0.000 0.484 306 T N 1.416 115.873 114.554 -0.163 0.000 2.926 306 T HA 0.349 4.698 4.350 -0.001 0.000 0.307 306 T C 0.291 174.884 174.700 -0.180 0.000 1.059 306 T CA 0.344 62.395 62.100 -0.081 0.000 1.122 306 T CB 0.756 69.631 68.868 0.012 0.000 0.972 306 T HN 0.789 nan 8.240 nan 0.000 0.545 307 G N 1.933 110.522 108.800 -0.351 0.000 3.162 307 G HA2 0.018 3.978 3.960 -0.001 0.000 0.599 307 G HA3 0.018 3.978 3.960 -0.001 0.000 0.599 307 G C 0.101 174.594 174.900 -0.679 0.000 1.335 307 G CA -0.025 44.441 45.100 -1.057 0.000 1.091 307 G HN 1.025 nan 8.290 nan 0.000 0.570 308 H N 0.885 119.641 119.070 -0.522 0.000 2.319 308 H HA -0.109 4.447 4.556 -0.001 0.000 0.297 308 H C 2.511 177.840 175.328 0.001 0.000 1.097 308 H CA 2.545 58.529 56.048 -0.107 0.000 1.285 308 H CB -0.169 29.447 29.762 -0.243 0.000 1.368 308 H HN 0.401 nan 8.280 nan 0.000 0.495 309 S N 0.736 116.081 115.700 -0.593 0.000 2.382 309 S HA -0.051 4.419 4.470 -0.001 0.000 0.228 309 S C 2.157 176.704 174.600 -0.087 0.000 1.027 309 S CA 1.323 59.401 58.200 -0.202 0.000 0.991 309 S CB -0.242 62.857 63.200 -0.169 0.000 0.823 309 S HN 0.349 nan 8.310 nan 0.000 0.469 310 L N 0.941 122.090 121.223 -0.123 0.000 2.072 310 L HA -0.034 4.305 4.340 -0.001 0.000 0.205 310 L C 2.189 179.104 176.870 0.075 0.000 1.079 310 L CA 0.707 55.571 54.840 0.041 0.000 0.752 310 L CB -0.606 41.479 42.059 0.043 0.000 0.906 310 L HN 0.277 nan 8.230 nan 0.000 0.436 311 I N 0.468 120.992 120.570 -0.076 0.000 2.226 311 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 311 I C 2.475 178.376 176.117 -0.360 0.000 1.100 311 I CA 1.595 62.742 61.300 -0.256 0.000 1.374 311 I CB -0.859 36.779 38.000 -0.603 0.000 1.057 311 I HN 0.285 nan 8.210 nan 0.000 0.413 312 K N 0.871 121.122 120.400 -0.249 0.000 2.063 312 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 312 K C 2.136 178.682 176.600 -0.090 0.000 1.048 312 K CA 1.416 57.642 56.287 -0.103 0.000 0.928 312 K CB -0.054 32.494 32.500 0.079 0.000 0.713 312 K HN 0.278 nan 8.250 nan 0.000 0.442 313 K N 0.615 120.973 120.400 -0.070 0.000 2.057 313 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 313 K C 2.102 178.606 176.600 -0.161 0.000 1.049 313 K CA 1.280 57.525 56.287 -0.071 0.000 0.931 313 K CB -0.057 32.434 32.500 -0.015 0.000 0.714 313 K HN -0.103 nan 8.250 nan 0.000 0.440 314 K N 1.198 121.446 120.400 -0.253 0.000 2.147 314 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 314 K C 1.878 178.269 176.600 -0.347 0.000 1.049 314 K CA 1.331 57.333 56.287 -0.476 0.000 0.936 314 K CB -0.036 31.959 32.500 -0.841 0.000 0.722 314 K HN 0.073 nan 8.250 nan 0.000 0.446 315 M N 0.078 119.524 119.600 -0.258 0.000 2.159 315 M HA -0.182 4.297 4.480 -0.001 0.000 0.263 315 M C 2.448 178.670 176.300 -0.129 0.000 1.063 315 M CA 2.289 57.481 55.300 -0.181 0.000 1.110 315 M CB -0.367 32.151 32.600 -0.137 0.000 1.374 315 M HN 0.223 nan 8.290 nan 0.000 0.411 316 K N 0.838 121.170 120.400 -0.113 0.000 2.057 316 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 316 K C 1.507 178.042 176.600 -0.108 0.000 1.049 316 K CA 1.930 58.166 56.287 -0.085 0.000 0.931 316 K CB -1.171 31.291 32.500 -0.063 0.000 0.714 316 K HN 0.597 nan 8.250 nan 0.000 0.440 317 E N 0.010 120.116 120.200 -0.157 0.000 2.358 317 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 317 E C 1.959 178.453 176.600 -0.176 0.000 1.010 317 E CA 1.460 57.758 56.400 -0.171 0.000 0.856 317 E CB 0.185 29.748 29.700 -0.228 0.000 0.795 317 E HN 0.821 nan 8.360 nan 0.000 0.504 318 T N -4.274 110.169 114.554 -0.185 0.000 2.971 318 T HA 0.264 4.613 4.350 -0.001 0.000 0.252 318 T C 1.569 176.203 174.700 -0.110 0.000 1.022 318 T CA 0.296 62.298 62.100 -0.163 0.000 0.980 318 T CB 0.786 69.531 68.868 -0.204 0.000 1.044 318 T HN 0.172 nan 8.240 nan 0.000 0.501 319 G N 1.983 110.726 108.800 -0.095 0.000 2.160 319 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.251 319 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.251 319 G C 0.343 175.210 174.900 -0.054 0.000 1.008 319 G CA 0.020 45.082 45.100 -0.063 0.000 0.724 319 G HN 1.242 nan 8.290 nan 0.000 0.514 320 A N -0.619 122.156 122.820 -0.074 0.000 2.531 320 A HA 0.564 4.883 4.320 -0.001 0.000 0.236 320 A C 1.466 179.034 177.584 -0.026 0.000 1.062 320 A CA 0.734 52.736 52.037 -0.059 0.000 0.760 320 A CB 0.233 19.178 19.000 -0.092 0.000 0.995 320 A HN 0.841 nan 8.150 nan 0.000 0.501 321 L N 0.964 122.183 121.223 -0.005 0.000 2.529 321 L HA 0.249 4.589 4.340 -0.001 0.000 0.223 321 L C 0.011 176.895 176.870 0.024 0.000 1.113 321 L CA 0.368 55.222 54.840 0.024 0.000 0.861 321 L CB -0.121 41.959 42.059 0.036 0.000 1.012 321 L HN 0.658 nan 8.230 nan 0.000 0.461 322 L N -0.514 120.698 121.223 -0.018 0.000 2.545 322 L HA 0.773 5.112 4.340 -0.001 0.000 0.258 322 L C -1.567 175.277 176.870 -0.043 0.000 0.942 322 L CA -0.266 54.520 54.840 -0.089 0.000 0.855 322 L CB 1.883 43.853 42.059 -0.148 0.000 1.374 322 L HN -0.140 nan 8.230 nan 0.000 0.411 323 A N 2.107 124.924 122.820 -0.006 0.000 2.556 323 A HA 1.015 5.335 4.320 -0.001 0.000 0.294 323 A C -0.756 176.971 177.584 0.238 0.000 1.091 323 A CA -0.046 52.012 52.037 0.035 0.000 0.704 323 A CB 1.825 20.707 19.000 -0.197 0.000 1.300 323 A HN 1.299 nan 8.150 nan 0.000 0.406 324 G N -0.075 108.874 108.800 0.248 0.000 2.696 324 G HA2 0.617 4.577 3.960 -0.001 0.000 0.295 324 G HA3 0.617 4.577 3.960 -0.001 0.000 0.295 324 G C -1.462 173.628 174.900 0.316 0.000 1.398 324 G CA -0.488 44.821 45.100 0.348 0.000 0.920 324 G HN 0.676 nan 8.290 nan 0.000 0.492 325 E N 0.871 121.287 120.200 0.359 0.000 2.244 325 E HA 0.266 4.615 4.350 -0.001 0.000 0.266 325 E C 0.787 177.518 176.600 0.218 0.000 0.914 325 E CA -1.162 55.402 56.400 0.274 0.000 0.794 325 E CB 2.452 32.345 29.700 0.321 0.000 1.210 325 E HN 0.405 nan 8.360 nan 0.000 0.414 326 M N 1.889 121.588 119.600 0.165 0.000 2.267 326 M HA -0.171 4.309 4.480 -0.001 0.000 0.263 326 M C 1.842 178.225 176.300 0.140 0.000 1.063 326 M CA 1.888 57.269 55.300 0.133 0.000 1.090 326 M CB -0.334 32.326 32.600 0.101 0.000 1.392 326 M HN 0.504 nan 8.290 nan 0.000 0.422 327 S N -1.220 114.578 115.700 0.164 0.000 2.474 327 S HA 0.200 4.669 4.470 -0.001 0.000 0.235 327 S C 1.681 176.342 174.600 0.102 0.000 0.997 327 S CA 0.706 58.994 58.200 0.147 0.000 0.949 327 S CB -0.733 62.604 63.200 0.229 0.000 0.766 327 S HN 0.917 nan 8.310 nan 0.000 0.517 328 G N 0.312 109.193 108.800 0.134 0.000 2.168 328 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.197 328 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.197 328 G C -0.164 174.751 174.900 0.026 0.000 0.997 328 G CA -0.183 44.952 45.100 0.058 0.000 0.658 328 G HN 0.642 nan 8.290 nan 0.000 0.513 329 H N 0.351 119.487 119.070 0.110 0.000 2.878 329 H HA 0.428 4.983 4.556 -0.001 0.000 0.290 329 H C -0.276 175.076 175.328 0.040 0.000 1.065 329 H CA 0.460 56.517 56.048 0.014 0.000 1.477 329 H CB 1.437 31.246 29.762 0.078 0.000 1.484 329 H HN 0.102 nan 8.280 nan 0.000 0.504 330 V N 5.902 125.824 119.914 0.013 0.000 2.540 330 V HA 0.203 4.322 4.120 -0.001 0.000 0.302 330 V C -0.604 175.491 176.094 0.002 0.000 1.035 330 V CA -0.723 61.654 62.300 0.128 0.000 0.873 330 V CB 1.379 33.328 31.823 0.211 0.000 0.992 330 V HN 0.478 nan 8.190 nan 0.000 0.428 331 F N 4.419 124.401 119.950 0.053 0.000 2.359 331 F HA 0.573 5.100 4.527 -0.001 0.000 0.369 331 F C -0.320 175.458 175.800 -0.037 0.000 1.084 331 F CA -0.936 57.133 58.000 0.115 0.000 1.096 331 F CB 0.727 39.798 39.000 0.118 0.000 1.335 331 F HN 0.266 nan 8.300 nan 0.000 0.457 332 F N 2.752 122.860 119.950 0.263 0.000 2.424 332 F HA 0.332 4.858 4.527 -0.001 0.000 0.356 332 F C 1.415 177.340 175.800 0.208 0.000 1.110 332 F CA -0.326 57.791 58.000 0.195 0.000 1.161 332 F CB 1.448 40.564 39.000 0.194 0.000 1.115 332 F HN 0.346 nan 8.300 nan 0.000 0.507 333 K N 1.810 122.367 120.400 0.261 0.000 2.168 333 K HA 0.003 4.323 4.320 -0.001 0.000 0.201 333 K C 0.504 177.185 176.600 0.134 0.000 1.049 333 K CA 0.484 56.861 56.287 0.150 0.000 0.974 333 K CB 0.028 32.573 32.500 0.075 0.000 0.792 333 K HN 0.540 nan 8.250 nan 0.000 0.463 334 E N 1.712 122.018 120.200 0.177 0.000 2.493 334 E HA -0.078 4.271 4.350 -0.001 0.000 0.255 334 E C -0.582 176.113 176.600 0.159 0.000 0.999 334 E CA 0.358 56.844 56.400 0.143 0.000 0.934 334 E CB 0.132 29.926 29.700 0.156 0.000 0.940 334 E HN 0.257 nan 8.360 nan 0.000 0.473 335 R N 1.518 122.054 120.500 0.061 0.000 4.000 335 R HA -0.217 4.123 4.340 -0.001 0.000 0.362 335 R C -0.117 176.211 176.300 0.046 0.000 1.183 335 R CA 1.670 57.794 56.100 0.040 0.000 1.011 335 R CB -1.449 28.892 30.300 0.067 0.000 1.501 335 R HN 0.747 nan 8.270 nan 0.000 0.553 336 W N -1.907 119.163 121.300 -0.382 0.000 3.690 336 W HA 0.346 5.006 4.660 -0.001 0.000 0.395 336 W C -0.579 175.484 176.519 -0.759 0.000 1.113 336 W CA -0.547 56.394 57.345 -0.673 0.000 1.158 336 W CB 0.422 29.535 29.460 -0.578 0.000 1.555 336 W HN -0.181 nan 8.180 nan 0.000 0.628 337 F N 0.590 120.129 119.950 -0.685 0.000 2.728 337 F HA 0.301 4.827 4.527 -0.001 0.000 0.314 337 F C 1.498 177.135 175.800 -0.272 0.000 1.094 337 F CA 0.880 58.557 58.000 -0.539 0.000 1.217 337 F CB 0.668 39.256 39.000 -0.687 0.000 1.056 337 F HN 0.599 nan 8.300 nan 0.000 0.577 338 G N 0.793 109.568 108.800 -0.042 0.000 2.176 338 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.232 338 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.232 338 G C 0.228 175.310 174.900 0.303 0.000 0.986 338 G CA 0.045 45.232 45.100 0.145 0.000 0.643 338 G HN 0.277 nan 8.290 nan 0.000 0.522 339 F N 1.877 122.057 119.950 0.383 0.000 2.380 339 F HA 0.687 5.213 4.527 -0.001 0.000 0.321 339 F C 0.338 176.363 175.800 0.376 0.000 1.103 339 F CA -2.106 56.110 58.000 0.361 0.000 1.067 339 F CB 0.438 39.550 39.000 0.187 0.000 1.265 339 F HN 0.117 nan 8.300 nan 0.000 0.517 340 D N 0.586 121.196 120.400 0.350 0.000 2.389 340 D HA 0.236 4.875 4.640 -0.001 0.000 0.247 340 D C -1.009 175.554 176.300 0.439 0.000 1.128 340 D CA 0.002 53.916 54.000 -0.144 0.000 0.884 340 D CB 1.313 41.698 40.800 -0.691 0.000 1.194 340 D HN 0.664 nan 8.370 nan 0.000 0.441 341 D N 0.575 121.179 120.400 0.339 0.000 2.419 341 D HA 0.215 4.854 4.640 -0.001 0.000 0.219 341 D C 0.929 177.414 176.300 0.308 0.000 1.349 341 D CA -0.646 53.627 54.000 0.454 0.000 0.964 341 D CB 1.192 42.437 40.800 0.742 0.000 1.463 341 D HN 0.398 nan 8.370 nan 0.000 0.573 342 G N 2.503 111.452 108.800 0.250 0.000 2.421 342 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.217 342 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.217 342 G C 1.561 176.697 174.900 0.394 0.000 1.143 342 G CA 0.526 45.817 45.100 0.318 0.000 0.784 342 G HN 0.561 nan 8.290 nan 0.000 0.541 343 I N -1.089 119.601 120.570 0.201 0.000 2.277 343 I HA -0.041 4.129 4.170 -0.001 0.000 0.243 343 I C 2.373 178.518 176.117 0.047 0.000 1.094 343 I CA 0.688 62.021 61.300 0.056 0.000 1.393 343 I CB -0.260 37.720 38.000 -0.033 0.000 1.078 343 I HN 0.136 nan 8.210 nan 0.000 0.417 344 Y N 1.695 121.928 120.300 -0.112 0.000 2.165 344 Y HA -0.274 4.275 4.550 -0.001 0.000 0.286 344 Y C 2.771 178.432 175.900 -0.399 0.000 1.155 344 Y CA 1.646 59.468 58.100 -0.464 0.000 1.164 344 Y CB -0.366 37.572 38.460 -0.869 0.000 0.978 344 Y HN 0.051 nan 8.280 nan 0.000 0.513 345 S N 0.207 115.817 115.700 -0.151 0.000 2.368 345 S HA -0.207 4.262 4.470 -0.001 0.000 0.225 345 S C 2.303 176.908 174.600 0.010 0.000 1.030 345 S CA 1.027 59.186 58.200 -0.068 0.000 0.999 345 S CB -0.851 62.517 63.200 0.280 0.000 0.844 345 S HN 0.630 nan 8.310 nan 0.000 0.459 346 A N 1.686 124.561 122.820 0.091 0.000 1.908 346 A HA -0.003 4.317 4.320 -0.001 0.000 0.218 346 A C 2.364 179.926 177.584 -0.036 0.000 1.181 346 A CA 1.869 53.972 52.037 0.110 0.000 0.627 346 A CB -1.131 18.035 19.000 0.278 0.000 0.818 346 A HN 0.531 nan 8.150 nan 0.000 0.445 347 A N -0.678 122.016 122.820 -0.209 0.000 1.902 347 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 347 A C 2.215 179.562 177.584 -0.394 0.000 1.181 347 A CA 1.432 53.277 52.037 -0.319 0.000 0.623 347 A CB -0.433 18.300 19.000 -0.446 0.000 0.818 347 A HN 0.399 nan 8.150 nan 0.000 0.443 348 R N -0.900 119.219 120.500 -0.636 0.000 2.096 348 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 348 R C 2.046 178.302 176.300 -0.074 0.000 1.127 348 R CA 1.341 57.079 56.100 -0.604 0.000 0.968 348 R CB -1.219 28.328 30.300 -1.255 0.000 0.861 348 R HN 0.543 nan 8.270 nan 0.000 0.440 349 L N 1.026 122.353 121.223 0.174 0.000 2.027 349 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 349 L C 2.149 179.072 176.870 0.089 0.000 1.074 349 L CA 1.533 56.547 54.840 0.291 0.000 0.745 349 L CB -0.598 41.627 42.059 0.277 0.000 0.898 349 L HN 0.063 nan 8.230 nan 0.000 0.433 350 L N -0.504 120.730 121.223 0.018 0.000 2.083 350 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 350 L C 2.588 179.436 176.870 -0.037 0.000 1.083 350 L CA 1.638 56.469 54.840 -0.014 0.000 0.752 350 L CB -0.584 41.453 42.059 -0.036 0.000 0.899 350 L HN 0.462 nan 8.230 nan 0.000 0.433 351 E N 0.843 121.001 120.200 -0.070 0.000 2.038 351 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 351 E C 2.292 178.864 176.600 -0.046 0.000 1.000 351 E CA 1.499 57.852 56.400 -0.078 0.000 0.803 351 E CB -0.056 29.565 29.700 -0.131 0.000 0.750 351 E HN 0.447 nan 8.360 nan 0.000 0.448 352 I N 0.878 121.438 120.570 -0.017 0.000 2.179 352 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 352 I C 2.476 178.572 176.117 -0.034 0.000 1.088 352 I CA 0.948 62.242 61.300 -0.009 0.000 1.357 352 I CB -0.239 37.785 38.000 0.040 0.000 1.051 352 I HN 0.209 nan 8.210 nan 0.000 0.409 353 L N 0.451 121.655 121.223 -0.031 0.000 2.131 353 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 353 L C 2.741 179.590 176.870 -0.036 0.000 1.092 353 L CA 1.618 56.431 54.840 -0.044 0.000 0.759 353 L CB -0.674 41.376 42.059 -0.016 0.000 0.903 353 L HN 0.395 nan 8.230 nan 0.000 0.435 354 S N -1.016 114.666 115.700 -0.031 0.000 2.453 354 S HA -0.185 4.284 4.470 -0.001 0.000 0.231 354 S C 1.680 176.260 174.600 -0.032 0.000 1.005 354 S CA 0.632 58.815 58.200 -0.030 0.000 0.949 354 S CB -0.164 63.017 63.200 -0.031 0.000 0.774 354 S HN 0.509 nan 8.310 nan 0.000 0.510 355 Q N 0.644 120.422 119.800 -0.037 0.000 2.360 355 Q HA 0.277 4.617 4.340 -0.001 0.000 0.202 355 Q C -0.524 175.451 176.000 -0.041 0.000 0.915 355 Q CA 0.015 55.797 55.803 -0.036 0.000 0.943 355 Q CB 0.323 29.039 28.738 -0.036 0.000 1.064 355 Q HN 0.472 nan 8.270 nan 0.000 0.511 356 D N -0.473 119.899 120.400 -0.046 0.000 2.308 356 D HA 0.137 4.776 4.640 -0.001 0.000 0.242 356 D C 0.647 176.919 176.300 -0.046 0.000 1.059 356 D CA 0.061 54.029 54.000 -0.053 0.000 0.830 356 D CB 1.540 42.296 40.800 -0.072 0.000 1.161 356 D HN 0.142 nan 8.370 nan 0.000 0.494 357 Q N 3.704 123.477 119.800 -0.046 0.000 2.291 357 Q HA -0.088 4.251 4.340 -0.001 0.000 0.205 357 Q C 1.077 177.049 176.000 -0.046 0.000 0.970 357 Q CA 0.974 56.751 55.803 -0.042 0.000 0.876 357 Q CB -0.375 28.337 28.738 -0.043 0.000 0.935 357 Q HN 0.497 nan 8.270 nan 0.000 0.455 358 R N 1.994 122.462 120.500 -0.053 0.000 2.679 358 R HA 0.342 4.681 4.340 -0.001 0.000 0.269 358 R C -0.298 175.997 176.300 -0.008 0.000 1.076 358 R CA -0.188 55.883 56.100 -0.049 0.000 1.160 358 R CB 0.375 30.643 30.300 -0.053 0.000 1.054 358 R HN 0.691 nan 8.270 nan 0.000 0.507 359 D N -0.164 120.261 120.400 0.042 0.000 2.371 359 D HA -0.057 4.583 4.640 -0.001 0.000 0.242 359 D C 0.764 177.110 176.300 0.077 0.000 1.218 359 D CA -0.356 53.687 54.000 0.071 0.000 0.945 359 D CB 0.690 41.554 40.800 0.107 0.000 1.137 359 D HN 0.445 nan 8.370 nan 0.000 0.464 360 S N -0.312 115.430 115.700 0.070 0.000 2.399 360 S HA -0.266 4.203 4.470 -0.001 0.000 0.231 360 S C 1.646 176.344 174.600 0.165 0.000 1.022 360 S CA 1.184 59.446 58.200 0.103 0.000 0.983 360 S CB -0.533 62.754 63.200 0.145 0.000 0.803 360 S HN 0.606 nan 8.310 nan 0.000 0.480 361 E N 1.701 121.959 120.200 0.097 0.000 2.058 361 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 361 E C 1.736 178.304 176.600 -0.052 0.000 0.997 361 E CA 1.952 58.359 56.400 0.012 0.000 0.801 361 E CB -0.654 28.985 29.700 -0.102 0.000 0.746 361 E HN 0.817 nan 8.360 nan 0.000 0.450 362 H N -1.198 117.883 119.070 0.018 0.000 2.428 362 H HA 0.044 4.599 4.556 -0.001 0.000 0.296 362 H C 2.024 177.303 175.328 -0.082 0.000 1.062 362 H CA 1.174 57.207 56.048 -0.025 0.000 1.350 362 H CB 0.123 29.860 29.762 -0.041 0.000 1.403 362 H HN 0.018 nan 8.280 nan 0.000 0.533 363 V N 0.170 120.074 119.914 -0.016 0.000 2.287 363 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 363 V C 1.738 177.673 176.094 -0.264 0.000 1.053 363 V CA 1.781 63.952 62.300 -0.216 0.000 1.027 363 V CB -0.515 31.110 31.823 -0.330 0.000 0.646 363 V HN 0.326 nan 8.190 nan 0.000 0.447 364 F N 0.968 120.944 119.950 0.043 0.000 2.234 364 F HA -0.076 4.450 4.527 -0.001 0.000 0.296 364 F C 2.711 178.575 175.800 0.107 0.000 1.089 364 F CA 1.283 59.371 58.000 0.147 0.000 1.343 364 F CB -0.780 38.271 39.000 0.084 0.000 1.040 364 F HN 0.243 nan 8.300 nan 0.000 0.498 365 S N 0.016 115.810 115.700 0.155 0.000 2.507 365 S HA -0.036 4.433 4.470 -0.001 0.000 0.235 365 S C 2.093 176.705 174.600 0.019 0.000 0.988 365 S CA 0.601 58.844 58.200 0.071 0.000 0.944 365 S CB -0.684 62.500 63.200 -0.026 0.000 0.762 365 S HN 0.215 nan 8.310 nan 0.000 0.526 366 A N 0.791 123.553 122.820 -0.096 0.000 2.015 366 A HA 0.268 4.587 4.320 -0.001 0.000 0.219 366 A C 0.525 177.974 177.584 -0.227 0.000 1.163 366 A CA 0.323 52.225 52.037 -0.224 0.000 0.646 366 A CB -0.671 18.089 19.000 -0.400 0.000 0.806 366 A HN 0.514 nan 8.150 nan 0.000 0.448 367 F N 0.395 120.379 119.950 0.056 0.000 2.429 367 F HA 0.404 4.931 4.527 -0.001 0.000 0.348 367 F C -1.853 173.976 175.800 0.048 0.000 1.109 367 F CA -2.562 55.474 58.000 0.059 0.000 1.232 367 F CB -0.109 38.943 39.000 0.085 0.000 1.157 367 F HN -0.041 nan 8.300 nan 0.000 0.564 368 P HA 0.125 nan 4.420 nan 0.000 0.268 368 P C -0.972 176.407 177.300 0.132 0.000 1.208 368 P CA 0.048 63.229 63.100 0.135 0.000 0.777 368 P CB 0.627 32.388 31.700 0.101 0.000 0.875 369 S N 0.839 116.597 115.700 0.096 0.000 2.549 369 S HA 0.445 4.914 4.470 -0.001 0.000 0.280 369 S C -0.893 173.748 174.600 0.068 0.000 1.109 369 S CA -0.607 57.644 58.200 0.086 0.000 0.905 369 S CB 1.434 64.682 63.200 0.081 0.000 1.081 369 S HN 0.334 nan 8.310 nan 0.000 0.477 370 D N 0.947 121.388 120.400 0.070 0.000 2.440 370 D HA 0.495 5.134 4.640 -0.001 0.000 0.258 370 D C -0.117 176.201 176.300 0.029 0.000 1.092 370 D CA -0.541 53.493 54.000 0.057 0.000 1.016 370 D CB 0.749 41.600 40.800 0.085 0.000 1.141 370 D HN 0.358 nan 8.370 nan 0.000 0.552 371 I N 0.869 121.442 120.570 0.006 0.000 2.396 371 I HA 0.139 4.308 4.170 -0.001 0.000 0.289 371 I C 0.294 176.379 176.117 -0.053 0.000 1.056 371 I CA 0.220 61.508 61.300 -0.019 0.000 1.365 371 I CB 0.654 38.639 38.000 -0.025 0.000 1.407 371 I HN -0.087 nan 8.210 nan 0.000 0.509 372 S N 3.635 119.295 115.700 -0.066 0.000 2.503 372 S HA 0.424 4.893 4.470 -0.001 0.000 0.301 372 S C 0.047 174.569 174.600 -0.130 0.000 1.087 372 S CA -0.753 57.375 58.200 -0.119 0.000 1.042 372 S CB 1.717 64.843 63.200 -0.123 0.000 1.043 372 S HN 0.748 nan 8.310 nan 0.000 0.489 373 T N 1.764 116.227 114.554 -0.153 0.000 2.913 373 T HA 0.464 4.813 4.350 -0.001 0.000 0.297 373 T C -2.452 172.157 174.700 -0.151 0.000 1.029 373 T CA -1.431 60.599 62.100 -0.117 0.000 1.104 373 T CB 0.071 68.898 68.868 -0.067 0.000 0.964 373 T HN 0.321 nan 8.240 nan 0.000 0.532 374 P HA 0.181 nan 4.420 nan 0.000 0.272 374 P C -0.076 177.160 177.300 -0.108 0.000 1.223 374 P CA -0.451 62.578 63.100 -0.118 0.000 0.784 374 P CB 0.423 32.088 31.700 -0.059 0.000 0.923 375 E N 0.985 121.118 120.200 -0.111 0.000 2.452 375 E HA 0.076 4.425 4.350 -0.001 0.000 0.261 375 E C -0.512 176.053 176.600 -0.057 0.000 0.987 375 E CA -0.065 56.276 56.400 -0.098 0.000 0.926 375 E CB 0.057 29.715 29.700 -0.071 0.000 0.934 375 E HN 0.289 nan 8.360 nan 0.000 0.452 376 I N 4.271 124.798 120.570 -0.071 0.000 2.377 376 I HA 0.252 4.421 4.170 -0.001 0.000 0.293 376 I C 0.013 176.131 176.117 0.003 0.000 0.987 376 I CA -0.360 60.934 61.300 -0.011 0.000 1.185 376 I CB 1.495 39.486 38.000 -0.015 0.000 1.341 376 I HN 0.467 nan 8.210 nan 0.000 0.455 377 N N 6.711 125.437 118.700 0.043 0.000 2.314 377 N HA 0.621 5.361 4.740 -0.001 0.000 0.294 377 N C -1.240 174.316 175.510 0.076 0.000 1.029 377 N CA -0.661 52.418 53.050 0.048 0.000 0.845 377 N CB 2.389 40.899 38.487 0.038 0.000 1.321 377 N HN 0.370 nan 8.380 nan 0.000 0.481 378 I N 1.694 122.312 120.570 0.079 0.000 2.418 378 I HA 0.182 4.351 4.170 -0.001 0.000 0.287 378 I C -0.097 176.053 176.117 0.055 0.000 1.008 378 I CA -0.510 60.842 61.300 0.088 0.000 1.104 378 I CB 1.910 39.987 38.000 0.127 0.000 1.264 378 I HN 0.329 nan 8.210 nan 0.000 0.438 379 T N 6.338 120.919 114.554 0.045 0.000 2.779 379 T HA 0.360 4.709 4.350 -0.001 0.000 0.296 379 T C 0.436 175.150 174.700 0.022 0.000 0.938 379 T CA -0.383 61.734 62.100 0.029 0.000 1.119 379 T CB 0.877 69.761 68.868 0.028 0.000 0.891 379 T HN 0.465 nan 8.240 nan 0.000 0.526 380 V N 1.077 120.994 119.914 0.006 0.000 4.114 380 V HA 0.875 4.995 4.120 -0.001 0.000 0.293 380 V C 0.335 176.420 176.094 -0.014 0.000 1.371 380 V CA -0.901 61.397 62.300 -0.002 0.000 0.929 380 V CB 1.105 32.923 31.823 -0.008 0.000 1.281 380 V HN 0.809 nan 8.190 nan 0.000 0.468 381 T N -3.809 110.730 114.554 -0.026 0.000 2.925 381 T HA 0.673 5.022 4.350 -0.001 0.000 0.285 381 T C 0.937 175.599 174.700 -0.063 0.000 1.021 381 T CA 0.354 62.438 62.100 -0.027 0.000 1.042 381 T CB 1.450 70.312 68.868 -0.011 0.000 1.037 381 T HN 1.379 nan 8.240 nan 0.000 0.481 382 E N 0.887 121.056 120.200 -0.052 0.000 2.160 382 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 382 E C 1.312 177.862 176.600 -0.083 0.000 0.991 382 E CA 1.681 58.034 56.400 -0.079 0.000 0.810 382 E CB -0.846 28.840 29.700 -0.023 0.000 0.742 382 E HN 0.828 nan 8.360 nan 0.000 0.466 383 D N -1.171 119.212 120.400 -0.029 0.000 2.340 383 D HA 0.058 4.697 4.640 -0.001 0.000 0.217 383 D C 1.595 177.901 176.300 0.010 0.000 1.081 383 D CA 1.035 55.042 54.000 0.013 0.000 0.842 383 D CB 0.779 41.597 40.800 0.029 0.000 0.934 383 D HN 0.506 nan 8.370 nan 0.000 0.511 384 S N -0.503 115.178 115.700 -0.031 0.000 2.549 384 S HA -0.014 4.455 4.470 -0.001 0.000 0.225 384 S C 1.716 176.288 174.600 -0.047 0.000 1.039 384 S CA -0.302 57.889 58.200 -0.014 0.000 0.942 384 S CB 0.231 63.428 63.200 -0.004 0.000 0.881 384 S HN 0.158 nan 8.310 nan 0.000 0.503 385 K N 0.840 121.143 120.400 -0.162 0.000 2.063 385 K HA -0.071 4.248 4.320 -0.001 0.000 0.208 385 K C 1.341 177.835 176.600 -0.177 0.000 1.048 385 K CA 1.607 57.755 56.287 -0.232 0.000 0.928 385 K CB -0.811 31.453 32.500 -0.393 0.000 0.713 385 K HN 0.325 nan 8.250 nan 0.000 0.442 386 F N 1.845 121.810 119.950 0.026 0.000 2.234 386 F HA 0.056 4.583 4.527 -0.000 0.000 0.299 386 F C 2.776 178.592 175.800 0.027 0.000 1.087 386 F CA 0.715 58.728 58.000 0.022 0.000 1.340 386 F CB -0.813 38.194 39.000 0.012 0.000 1.031 386 F HN 0.164 nan 8.300 nan 0.000 0.500 387 A N 0.445 123.370 122.820 0.175 0.000 1.930 387 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 387 A C 2.272 179.911 177.584 0.091 0.000 1.175 387 A CA 1.415 53.521 52.037 0.114 0.000 0.627 387 A CB -1.065 17.984 19.000 0.081 0.000 0.815 387 A HN 0.359 nan 8.150 nan 0.000 0.443 388 I N 0.002 120.618 120.570 0.077 0.000 2.163 388 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 388 I C 2.169 178.348 176.117 0.103 0.000 1.085 388 I CA 0.954 62.300 61.300 0.077 0.000 1.347 388 I CB -0.341 37.698 38.000 0.065 0.000 1.044 388 I HN 0.231 nan 8.210 nan 0.000 0.408 389 I N 0.854 121.496 120.570 0.120 0.000 2.179 389 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 389 I C 2.494 178.686 176.117 0.125 0.000 1.088 389 I CA 1.712 63.095 61.300 0.138 0.000 1.357 389 I CB -1.297 36.798 38.000 0.159 0.000 1.051 389 I HN 0.329 nan 8.210 nan 0.000 0.409 390 E N 0.853 121.123 120.200 0.116 0.000 2.085 390 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 390 E C 2.345 178.993 176.600 0.080 0.000 0.994 390 E CA 1.499 57.953 56.400 0.089 0.000 0.801 390 E CB -0.175 29.573 29.700 0.080 0.000 0.743 390 E HN 0.502 nan 8.360 nan 0.000 0.453 391 A N 1.024 123.891 122.820 0.078 0.000 1.883 391 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 391 A C 2.189 179.816 177.584 0.072 0.000 1.186 391 A CA 1.289 53.364 52.037 0.063 0.000 0.624 391 A CB -0.710 18.323 19.000 0.054 0.000 0.822 391 A HN 0.152 nan 8.150 nan 0.000 0.444 392 L N -1.050 120.237 121.223 0.107 0.000 2.046 392 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 392 L C 2.894 179.878 176.870 0.189 0.000 1.077 392 L CA 1.651 56.585 54.840 0.156 0.000 0.747 392 L CB -0.546 41.660 42.059 0.246 0.000 0.896 392 L HN 0.472 nan 8.230 nan 0.000 0.432 393 Q N -0.622 119.273 119.800 0.159 0.000 2.170 393 Q HA -0.184 4.156 4.340 -0.001 0.000 0.203 393 Q C 2.352 178.417 176.000 0.107 0.000 0.976 393 Q CA 1.245 57.131 55.803 0.139 0.000 0.858 393 Q CB -0.025 28.768 28.738 0.092 0.000 0.907 393 Q HN 0.430 nan 8.270 nan 0.000 0.433 394 R N 0.018 120.565 120.500 0.079 0.000 2.062 394 R HA -0.067 4.272 4.340 -0.001 0.000 0.226 394 R C 0.997 177.320 176.300 0.038 0.000 1.125 394 R CA 1.290 57.422 56.100 0.052 0.000 0.966 394 R CB 0.230 30.552 30.300 0.038 0.000 0.861 394 R HN 0.251 nan 8.270 nan 0.000 0.433 395 D N -0.410 120.005 120.400 0.025 0.000 2.422 395 D HA 0.131 4.771 4.640 -0.001 0.000 0.218 395 D C 0.219 176.471 176.300 -0.081 0.000 1.047 395 D CA 0.124 54.112 54.000 -0.020 0.000 0.885 395 D CB 0.217 41.002 40.800 -0.025 0.000 1.035 395 D HN 0.087 nan 8.370 nan 0.000 0.502 396 A N 0.736 123.495 122.820 -0.101 0.000 2.425 396 A HA 0.338 4.658 4.320 -0.001 0.000 0.242 396 A C 0.057 177.344 177.584 -0.495 0.000 1.077 396 A CA 0.101 51.911 52.037 -0.378 0.000 0.781 396 A CB 0.375 19.085 19.000 -0.484 0.000 1.020 396 A HN -0.002 nan 8.150 nan 0.000 0.494 397 Q N -0.163 119.193 119.800 -0.741 0.000 2.321 397 Q HA 0.393 4.732 4.340 -0.001 0.000 0.270 397 Q C -1.145 174.455 176.000 -0.666 0.000 1.032 397 Q CA -0.113 55.392 55.803 -0.496 0.000 0.784 397 Q CB 1.741 30.334 28.738 -0.242 0.000 1.264 397 Q HN 0.875 nan 8.270 nan 0.000 0.448 398 W N 1.489 122.798 121.300 0.015 0.000 2.870 398 W HA 0.382 5.041 4.660 -0.002 0.000 0.358 398 W C 0.969 177.596 176.519 0.179 0.000 1.043 398 W CA 0.187 57.571 57.345 0.065 0.000 1.692 398 W CB 0.981 30.461 29.460 0.034 0.000 1.100 398 W HN 0.998 nan 8.180 nan 0.000 0.557 399 G N 1.744 110.703 108.800 0.265 0.000 2.645 399 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.239 399 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.239 399 G C -0.496 174.575 174.900 0.285 0.000 1.331 399 G CA -0.250 44.992 45.100 0.238 0.000 0.890 399 G HN 0.140 nan 8.290 nan 0.000 0.572 400 E N 0.734 121.093 120.200 0.265 0.000 2.257 400 E HA 0.560 4.910 4.350 -0.001 0.000 0.278 400 E C 0.615 177.390 176.600 0.291 0.000 1.049 400 E CA 1.165 57.701 56.400 0.227 0.000 0.876 400 E CB 0.250 30.052 29.700 0.171 0.000 1.035 400 E HN 1.924 nan 8.360 nan 0.000 0.419 401 G N 3.411 112.290 108.800 0.132 0.000 2.328 401 G HA2 0.137 4.096 3.960 -0.001 0.000 0.295 401 G HA3 0.137 4.096 3.960 -0.001 0.000 0.295 401 G C -1.482 173.374 174.900 -0.074 0.000 1.413 401 G CA -1.118 43.956 45.100 -0.045 0.000 0.817 401 G HN 0.453 nan 8.290 nan 0.000 0.546 402 N N 0.485 119.112 118.700 -0.122 0.000 2.406 402 N HA 0.380 5.119 4.740 -0.001 0.000 0.251 402 N C -0.255 175.172 175.510 -0.138 0.000 1.069 402 N CA -0.057 52.940 53.050 -0.088 0.000 0.947 402 N CB 1.445 39.896 38.487 -0.059 0.000 1.111 402 N HN 0.407 nan 8.380 nan 0.000 0.497 403 I N 1.323 121.827 120.570 -0.110 0.000 2.353 403 I HA 0.199 4.368 4.170 -0.001 0.000 0.293 403 I C 0.305 176.354 176.117 -0.113 0.000 0.992 403 I CA -0.144 61.062 61.300 -0.155 0.000 1.268 403 I CB 1.166 39.099 38.000 -0.113 0.000 1.387 403 I HN 0.179 nan 8.210 nan 0.000 0.478 404 T N 2.958 117.429 114.554 -0.139 0.000 2.840 404 T HA 0.296 4.646 4.350 -0.001 0.000 0.287 404 T C 0.478 175.112 174.700 -0.110 0.000 0.991 404 T CA -0.565 61.473 62.100 -0.104 0.000 0.964 404 T CB 1.256 70.062 68.868 -0.104 0.000 0.954 404 T HN 0.747 nan 8.240 nan 0.000 0.438 405 T N 0.204 114.710 114.554 -0.081 0.000 3.228 405 T HA 0.148 4.497 4.350 -0.001 0.000 0.278 405 T C 1.682 176.324 174.700 -0.096 0.000 1.014 405 T CA -0.434 61.624 62.100 -0.071 0.000 0.904 405 T CB -0.570 68.281 68.868 -0.028 0.000 1.110 405 T HN 0.405 nan 8.240 nan 0.000 0.541 406 L N -1.382 119.757 121.223 -0.141 0.000 2.201 406 L HA 0.424 4.763 4.340 -0.001 0.000 0.212 406 L C 0.218 176.905 176.870 -0.305 0.000 1.105 406 L CA 1.189 55.885 54.840 -0.240 0.000 0.775 406 L CB -0.454 41.419 42.059 -0.310 0.000 0.913 406 L HN 0.151 nan 8.230 nan 0.000 0.440 407 D N -0.265 119.999 120.400 -0.227 0.000 2.323 407 D HA 0.470 5.109 4.640 -0.001 0.000 0.242 407 D C 0.465 176.719 176.300 -0.077 0.000 1.347 407 D CA 0.631 54.528 54.000 -0.171 0.000 0.988 407 D CB 0.890 41.557 40.800 -0.222 0.000 1.314 407 D HN 0.465 nan 8.370 nan 0.000 0.564 408 G N 1.619 110.406 108.800 -0.023 0.000 2.527 408 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.268 408 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.268 408 G C -0.855 174.043 174.900 -0.004 0.000 1.175 408 G CA 0.121 45.234 45.100 0.022 0.000 0.962 408 G HN 0.968 nan 8.290 nan 0.000 0.560 409 V N 0.960 120.869 119.914 -0.008 0.000 2.525 409 V HA 0.706 4.825 4.120 -0.001 0.000 0.299 409 V C 0.273 176.291 176.094 -0.127 0.000 1.034 409 V CA -0.194 62.037 62.300 -0.115 0.000 0.863 409 V CB 1.597 33.306 31.823 -0.190 0.000 0.999 409 V HN 0.951 nan 8.190 nan 0.000 0.423 410 R N 3.482 123.893 120.500 -0.150 0.000 2.562 410 R HA 0.847 5.186 4.340 -0.001 0.000 0.298 410 R C -1.820 174.380 176.300 -0.166 0.000 0.961 410 R CA -0.419 55.637 56.100 -0.073 0.000 0.881 410 R CB 2.078 32.350 30.300 -0.047 0.000 1.159 410 R HN 0.519 nan 8.270 nan 0.000 0.450 411 V N 3.487 123.355 119.914 -0.078 0.000 2.483 411 V HA 0.282 4.402 4.120 -0.001 0.000 0.297 411 V C -1.074 174.897 176.094 -0.206 0.000 1.027 411 V CA -0.849 61.295 62.300 -0.259 0.000 0.855 411 V CB 1.853 33.431 31.823 -0.408 0.000 0.995 411 V HN 0.832 nan 8.190 nan 0.000 0.424 412 D N 3.649 123.903 120.400 -0.243 0.000 2.329 412 D HA 0.561 5.200 4.640 -0.001 0.000 0.232 412 D C -0.846 175.337 176.300 -0.195 0.000 1.088 412 D CA -0.064 53.883 54.000 -0.089 0.000 0.835 412 D CB 1.046 41.826 40.800 -0.034 0.000 1.078 412 D HN 0.428 nan 8.370 nan 0.000 0.495 413 Y N 1.901 122.309 120.300 0.180 0.000 2.480 413 Y HA 0.295 4.845 4.550 -0.001 0.000 0.323 413 Y C -1.130 174.841 175.900 0.119 0.000 1.267 413 Y CA -2.176 56.011 58.100 0.145 0.000 1.336 413 Y CB 0.104 38.659 38.460 0.158 0.000 1.361 413 Y HN 0.335 nan 8.280 nan 0.000 0.518 414 P HA -0.150 nan 4.420 nan 0.000 0.216 414 P C 0.123 177.516 177.300 0.156 0.000 1.150 414 P CA 2.052 65.252 63.100 0.167 0.000 0.843 414 P CB 0.207 31.990 31.700 0.137 0.000 0.787 415 K N -1.723 118.785 120.400 0.181 0.000 2.506 415 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 415 K C 0.485 177.180 176.600 0.159 0.000 1.045 415 K CA -0.117 56.252 56.287 0.136 0.000 1.074 415 K CB 1.278 33.831 32.500 0.088 0.000 0.842 415 K HN 0.124 nan 8.250 nan 0.000 0.514 416 G N 1.057 110.007 108.800 0.249 0.000 2.320 416 G HA2 0.287 4.247 3.960 -0.001 0.000 0.296 416 G HA3 0.287 4.247 3.960 -0.001 0.000 0.296 416 G C -2.317 172.851 174.900 0.447 0.000 1.306 416 G CA -0.949 44.314 45.100 0.271 0.000 0.836 416 G HN 0.125 nan 8.290 nan 0.000 0.517 417 W N -0.542 120.866 121.300 0.180 0.000 3.074 417 W HA 0.790 5.450 4.660 -0.001 0.000 0.332 417 W C -0.509 176.051 176.519 0.068 0.000 1.253 417 W CA -1.143 56.288 57.345 0.143 0.000 1.180 417 W CB 1.295 30.760 29.460 0.008 0.000 1.445 417 W HN 1.505 nan 8.180 nan 0.000 0.573 418 G N 1.155 110.017 108.800 0.104 0.000 2.612 418 G HA2 0.696 4.655 3.960 -0.001 0.000 0.298 418 G HA3 0.696 4.655 3.960 -0.001 0.000 0.298 418 G C -2.623 172.042 174.900 -0.391 0.000 1.336 418 G CA -0.961 43.772 45.100 -0.613 0.000 0.953 418 G HN 0.710 nan 8.290 nan 0.000 0.482 419 L N 1.215 121.991 121.223 -0.745 0.000 2.455 419 L HA 0.844 5.183 4.340 -0.001 0.000 0.264 419 L C -1.380 175.320 176.870 -0.284 0.000 0.968 419 L CA -0.971 53.732 54.840 -0.229 0.000 0.827 419 L CB 2.223 44.292 42.059 0.016 0.000 1.317 419 L HN 0.652 nan 8.230 nan 0.000 0.407 420 V N 6.059 126.001 119.914 0.046 0.000 2.638 420 V HA 0.884 5.003 4.120 -0.001 0.000 0.306 420 V C -1.036 175.100 176.094 0.070 0.000 1.052 420 V CA -0.216 62.131 62.300 0.078 0.000 0.885 420 V CB 1.758 33.751 31.823 0.283 0.000 0.999 420 V HN 1.049 nan 8.190 nan 0.000 0.424 421 R N 5.193 125.720 120.500 0.045 0.000 2.764 421 R HA 0.895 5.234 4.340 -0.001 0.000 0.270 421 R C -1.002 175.334 176.300 0.060 0.000 1.014 421 R CA -0.541 55.593 56.100 0.058 0.000 0.904 421 R CB 1.874 32.196 30.300 0.037 0.000 1.236 421 R HN 0.882 nan 8.270 nan 0.000 0.466 422 A N 1.297 124.168 122.820 0.085 0.000 2.328 422 A HA 0.373 4.693 4.320 -0.001 0.000 0.284 422 A C 0.121 177.744 177.584 0.065 0.000 1.160 422 A CA -0.354 51.703 52.037 0.033 0.000 0.818 422 A CB 0.985 19.979 19.000 -0.010 0.000 1.087 422 A HN 0.675 nan 8.150 nan 0.000 0.504 423 S N 1.606 117.318 115.700 0.019 0.000 2.562 423 S HA 0.068 4.538 4.470 -0.001 0.000 0.281 423 S C 0.689 175.315 174.600 0.043 0.000 1.333 423 S CA -0.458 57.777 58.200 0.058 0.000 1.052 423 S CB 0.006 63.231 63.200 0.042 0.000 0.884 423 S HN 0.670 nan 8.310 nan 0.000 0.506 424 N N 2.144 120.876 118.700 0.054 0.000 2.235 424 N HA 0.068 4.808 4.740 -0.001 0.000 0.209 424 N C 0.798 176.230 175.510 -0.130 0.000 1.122 424 N CA 0.571 53.570 53.050 -0.083 0.000 0.845 424 N CB 0.696 38.927 38.487 -0.427 0.000 1.004 424 N HN 0.830 nan 8.380 nan 0.000 0.499 425 T N -3.802 110.755 114.554 0.004 0.000 2.969 425 T HA 0.097 4.447 4.350 -0.001 0.000 0.258 425 T C 0.677 175.416 174.700 0.064 0.000 0.962 425 T CA 0.007 62.140 62.100 0.055 0.000 0.903 425 T CB 0.528 69.489 68.868 0.154 0.000 1.177 425 T HN 0.085 nan 8.240 nan 0.000 0.511 426 T N -0.156 114.424 114.554 0.044 0.000 2.868 426 T HA 0.595 4.945 4.350 -0.001 0.000 0.306 426 T C -3.305 171.392 174.700 -0.006 0.000 1.224 426 T CA -1.647 60.475 62.100 0.036 0.000 1.012 426 T CB 1.986 70.886 68.868 0.053 0.000 1.221 426 T HN -0.174 nan 8.240 nan 0.000 0.499 427 P HA 0.331 nan 4.420 nan 0.000 0.218 427 P C -0.198 177.078 177.300 -0.039 0.000 1.793 427 P CA -0.229 62.844 63.100 -0.046 0.000 0.941 427 P CB -0.505 31.181 31.700 -0.022 0.000 1.919 428 V N -1.235 118.655 119.914 -0.040 0.000 3.078 428 V HA 0.543 4.662 4.120 -0.001 0.000 0.311 428 V C -0.781 175.303 176.094 -0.017 0.000 1.138 428 V CA -1.410 60.883 62.300 -0.012 0.000 1.007 428 V CB 2.419 34.252 31.823 0.017 0.000 1.045 428 V HN -0.083 nan 8.190 nan 0.000 0.432 429 L N 2.865 124.095 121.223 0.012 0.000 2.312 429 L HA 0.666 5.006 4.340 -0.001 0.000 0.281 429 L C -0.451 176.439 176.870 0.032 0.000 1.070 429 L CA -0.749 54.109 54.840 0.030 0.000 0.805 429 L CB 1.669 43.769 42.059 0.068 0.000 1.174 429 L HN 0.557 nan 8.230 nan 0.000 0.434 430 V N 4.627 124.551 119.914 0.016 0.000 2.435 430 V HA 0.477 4.597 4.120 -0.001 0.000 0.290 430 V C -0.134 175.912 176.094 -0.080 0.000 1.030 430 V CA -0.490 61.800 62.300 -0.016 0.000 0.881 430 V CB 1.796 33.619 31.823 -0.000 0.000 0.983 430 V HN 0.441 nan 8.190 nan 0.000 0.445 431 L N 5.662 126.784 121.223 -0.170 0.000 2.370 431 L HA 0.753 5.092 4.340 -0.001 0.000 0.266 431 L C -0.084 176.457 176.870 -0.547 0.000 1.002 431 L CA -0.461 54.129 54.840 -0.416 0.000 0.818 431 L CB 2.046 43.791 42.059 -0.523 0.000 1.325 431 L HN 0.451 nan 8.230 nan 0.000 0.418 432 R N 1.790 121.777 120.500 -0.856 0.000 2.673 432 R HA 0.714 5.054 4.340 -0.001 0.000 0.281 432 R C -1.769 173.650 176.300 -1.468 0.000 0.991 432 R CA -0.686 54.923 56.100 -0.819 0.000 0.896 432 R CB 2.377 32.430 30.300 -0.411 0.000 1.201 432 R HN 0.382 nan 8.270 nan 0.000 0.457 433 F N 0.231 119.710 119.950 -0.785 0.000 2.591 433 F HA 0.430 4.957 4.527 -0.001 0.000 0.309 433 F C 0.065 175.370 175.800 -0.826 0.000 1.098 433 F CA -0.703 56.770 58.000 -0.877 0.000 0.937 433 F CB 2.403 41.050 39.000 -0.589 0.000 1.250 433 F HN 0.409 nan 8.300 nan 0.000 0.447 434 E N 1.693 121.451 120.200 -0.737 0.000 2.352 434 E HA 0.823 5.173 4.350 -0.001 0.000 0.280 434 E C -2.027 174.419 176.600 -0.258 0.000 0.930 434 E CA -0.747 55.373 56.400 -0.467 0.000 0.765 434 E CB 2.315 31.735 29.700 -0.466 0.000 1.219 434 E HN 0.867 nan 8.360 nan 0.000 0.434 435 A N 2.900 125.664 122.820 -0.093 0.000 2.609 435 A HA 0.360 4.679 4.320 -0.001 0.000 0.291 435 A C -0.236 177.358 177.584 0.017 0.000 1.096 435 A CA -0.427 51.605 52.037 -0.008 0.000 0.684 435 A CB 1.672 20.659 19.000 -0.021 0.000 1.282 435 A HN 0.738 nan 8.150 nan 0.000 0.412 436 D N 0.015 120.439 120.400 0.040 0.000 2.178 436 D HA 0.024 4.663 4.640 -0.001 0.000 0.202 436 D C 0.956 177.266 176.300 0.018 0.000 0.974 436 D CA 2.307 56.329 54.000 0.036 0.000 0.841 436 D CB 0.193 41.021 40.800 0.046 0.000 0.953 436 D HN 0.787 nan 8.370 nan 0.000 0.478 437 T N -3.204 111.354 114.554 0.007 0.000 2.916 437 T HA 0.329 4.678 4.350 -0.001 0.000 0.292 437 T C 0.776 175.465 174.700 -0.018 0.000 1.055 437 T CA -0.832 61.266 62.100 -0.003 0.000 1.009 437 T CB 1.843 70.711 68.868 -0.001 0.000 1.118 437 T HN -0.243 nan 8.240 nan 0.000 0.497 438 E N 0.886 121.073 120.200 -0.021 0.000 2.153 438 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 438 E C 2.477 179.054 176.600 -0.039 0.000 0.988 438 E CA 1.797 58.177 56.400 -0.033 0.000 0.811 438 E CB -0.584 29.099 29.700 -0.028 0.000 0.746 438 E HN 0.956 nan 8.360 nan 0.000 0.466 439 E N 1.471 121.653 120.200 -0.030 0.000 2.077 439 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 439 E C 1.852 178.427 176.600 -0.042 0.000 0.989 439 E CA 1.633 58.013 56.400 -0.033 0.000 0.800 439 E CB -0.568 29.118 29.700 -0.022 0.000 0.746 439 E HN 0.249 nan 8.360 nan 0.000 0.452 440 E N -0.278 119.900 120.200 -0.036 0.000 2.106 440 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 440 E C 1.957 178.518 176.600 -0.066 0.000 0.984 440 E CA 0.967 57.341 56.400 -0.044 0.000 0.806 440 E CB -0.353 29.338 29.700 -0.015 0.000 0.750 440 E HN 0.400 nan 8.360 nan 0.000 0.458 441 L N 0.961 122.142 121.223 -0.071 0.000 2.013 441 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 441 L C 2.240 179.018 176.870 -0.154 0.000 1.073 441 L CA 2.161 56.934 54.840 -0.111 0.000 0.753 441 L CB -0.640 41.358 42.059 -0.102 0.000 0.890 441 L HN 0.170 nan 8.230 nan 0.000 0.432 442 E N -0.431 119.701 120.200 -0.113 0.000 2.106 442 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 442 E C 2.413 178.956 176.600 -0.095 0.000 0.984 442 E CA 1.191 57.526 56.400 -0.108 0.000 0.806 442 E CB -0.221 29.435 29.700 -0.073 0.000 0.750 442 E HN 0.398 nan 8.360 nan 0.000 0.458 443 R N -0.023 120.427 120.500 -0.082 0.000 2.073 443 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 443 R C 2.367 178.629 176.300 -0.064 0.000 1.134 443 R CA 1.683 57.739 56.100 -0.073 0.000 0.952 443 R CB -0.356 29.891 30.300 -0.089 0.000 0.850 443 R HN 0.255 nan 8.270 nan 0.000 0.433 444 I N 0.852 121.372 120.570 -0.084 0.000 2.202 444 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 444 I C 2.327 178.487 176.117 0.071 0.000 1.091 444 I CA 1.434 62.754 61.300 0.033 0.000 1.368 444 I CB -0.267 37.778 38.000 0.074 0.000 1.058 444 I HN 0.151 nan 8.210 nan 0.000 0.410 445 K N 0.317 120.540 120.400 -0.295 0.000 2.074 445 K HA -0.189 4.131 4.320 -0.001 0.000 0.209 445 K C 2.124 178.774 176.600 0.083 0.000 1.048 445 K CA 2.103 58.141 56.287 -0.415 0.000 0.926 445 K CB -0.399 31.839 32.500 -0.436 0.000 0.713 445 K HN 0.330 nan 8.250 nan 0.000 0.444 446 T N 0.979 115.556 114.554 0.039 0.000 2.746 446 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 446 T C 2.009 176.791 174.700 0.137 0.000 1.039 446 T CA 1.275 63.411 62.100 0.060 0.000 1.142 446 T CB -0.226 68.643 68.868 0.003 0.000 0.866 446 T HN -0.045 nan 8.240 nan 0.000 0.444 447 V N 0.858 120.890 119.914 0.197 0.000 2.252 447 V HA -0.187 3.932 4.120 -0.001 0.000 0.249 447 V C 2.147 178.422 176.094 0.302 0.000 1.056 447 V CA 1.823 64.263 62.300 0.233 0.000 1.022 447 V CB -0.783 31.239 31.823 0.332 0.000 0.641 447 V HN 0.380 nan 8.190 nan 0.000 0.445 448 F N 0.082 120.278 119.950 0.409 0.000 2.146 448 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 448 F C 2.577 178.641 175.800 0.441 0.000 1.096 448 F CA 1.437 59.784 58.000 0.578 0.000 1.275 448 F CB -0.598 38.860 39.000 0.763 0.000 1.008 448 F HN -0.043 nan 8.300 nan 0.000 0.480 449 R N 0.259 121.078 120.500 0.531 0.000 2.115 449 R HA -0.227 4.112 4.340 -0.001 0.000 0.239 449 R C 1.961 178.310 176.300 0.083 0.000 1.133 449 R CA 1.899 58.091 56.100 0.154 0.000 0.935 449 R CB -0.736 29.524 30.300 -0.066 0.000 0.853 449 R HN 0.270 nan 8.270 nan 0.000 0.433 450 N N 0.276 119.008 118.700 0.053 0.000 2.166 450 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 450 N C 1.796 177.266 175.510 -0.066 0.000 1.019 450 N CA 1.036 54.074 53.050 -0.020 0.000 0.856 450 N CB -0.179 38.286 38.487 -0.036 0.000 0.993 450 N HN 0.234 nan 8.380 nan 0.000 0.426 451 Q N 0.582 120.317 119.800 -0.109 0.000 2.123 451 Q HA 0.066 4.405 4.340 -0.001 0.000 0.199 451 Q C 2.364 178.321 176.000 -0.071 0.000 0.966 451 Q CA 0.534 56.192 55.803 -0.241 0.000 0.845 451 Q CB -0.405 27.933 28.738 -0.666 0.000 0.907 451 Q HN 0.421 nan 8.270 nan 0.000 0.439 452 L N 0.626 121.892 121.223 0.071 0.000 2.017 452 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 452 L C 2.333 179.232 176.870 0.048 0.000 1.073 452 L CA 1.097 56.007 54.840 0.117 0.000 0.745 452 L CB -0.376 41.814 42.059 0.219 0.000 0.894 452 L HN 0.106 nan 8.230 nan 0.000 0.432 453 K N 0.105 120.516 120.400 0.018 0.000 2.147 453 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 453 K C 2.095 178.683 176.600 -0.021 0.000 1.049 453 K CA 1.395 57.678 56.287 -0.008 0.000 0.936 453 K CB -0.343 32.141 32.500 -0.025 0.000 0.722 453 K HN 0.294 nan 8.250 nan 0.000 0.446 454 A N 0.829 123.625 122.820 -0.040 0.000 1.968 454 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 454 A C 2.441 180.003 177.584 -0.037 0.000 1.169 454 A CA 1.045 53.050 52.037 -0.053 0.000 0.638 454 A CB -0.327 18.618 19.000 -0.093 0.000 0.812 454 A HN 0.049 nan 8.150 nan 0.000 0.446 455 V N -0.118 119.783 119.914 -0.022 0.000 2.323 455 V HA -0.033 4.086 4.120 -0.001 0.000 0.244 455 V C 0.525 176.624 176.094 0.007 0.000 1.041 455 V CA 1.932 64.232 62.300 -0.001 0.000 1.025 455 V CB -0.268 31.569 31.823 0.023 0.000 0.656 455 V HN 0.654 nan 8.190 nan 0.000 0.451 456 D N -1.723 118.685 120.400 0.012 0.000 2.470 456 D HA 0.158 4.797 4.640 -0.001 0.000 0.233 456 D C 0.872 177.176 176.300 0.007 0.000 1.372 456 D CA 0.471 54.479 54.000 0.012 0.000 0.994 456 D CB 1.594 42.407 40.800 0.022 0.000 1.377 456 D HN 0.136 nan 8.370 nan 0.000 0.586 457 S N 1.510 117.209 115.700 -0.002 0.000 2.469 457 S HA -0.153 4.316 4.470 -0.001 0.000 0.238 457 S C 1.597 176.192 174.600 -0.007 0.000 0.998 457 S CA 1.205 59.400 58.200 -0.009 0.000 0.957 457 S CB -0.242 62.950 63.200 -0.014 0.000 0.764 457 S HN 0.361 nan 8.310 nan 0.000 0.514 458 S N 0.494 116.194 115.700 -0.000 0.000 2.558 458 S HA 0.306 4.776 4.470 -0.001 0.000 0.217 458 S C 0.518 175.122 174.600 0.006 0.000 0.975 458 S CA -0.576 57.625 58.200 0.001 0.000 0.912 458 S CB -0.672 62.530 63.200 0.003 0.000 0.776 458 S HN 0.496 nan 8.310 nan 0.000 0.526 459 L N 2.633 123.864 121.223 0.014 0.000 2.453 459 L HA 0.294 4.634 4.340 -0.001 0.000 0.272 459 L C -2.311 174.569 176.870 0.017 0.000 1.182 459 L CA -1.923 52.933 54.840 0.027 0.000 0.858 459 L CB 0.226 42.315 42.059 0.050 0.000 1.120 459 L HN 0.080 nan 8.230 nan 0.000 0.474 460 P HA 0.029 nan 4.420 nan 0.000 0.271 460 P C -0.880 176.423 177.300 0.006 0.000 1.216 460 P CA -0.141 62.967 63.100 0.013 0.000 0.771 460 P CB 0.709 32.430 31.700 0.034 0.000 0.864 461 V N 1.072 120.936 119.914 -0.084 0.000 2.315 461 V HA 0.380 4.499 4.120 -0.001 0.000 0.265 461 V C -2.264 173.648 176.094 -0.304 0.000 1.019 461 V CA -1.861 60.273 62.300 -0.276 0.000 0.824 461 V CB 1.090 32.653 31.823 -0.433 0.000 1.072 461 V HN 0.399 nan 8.190 nan 0.000 0.448 462 P HA 0.370 nan 4.420 nan 0.000 0.220 462 P C -0.573 176.833 177.300 0.177 0.000 1.793 462 P CA 0.151 63.282 63.100 0.051 0.000 0.917 462 P CB -0.725 31.048 31.700 0.120 0.000 1.755 463 F N 0.000 119.956 119.950 0.011 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.983 58.000 -0.028 0.000 1.383 463 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574