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 1w8q_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.397 176.300 0.162 0.000 0.893 1 R CA 0.000 56.166 56.100 0.109 0.000 0.921 1 R CB 0.000 30.341 30.300 0.069 0.000 0.687 2 L N 1.378 122.689 121.223 0.146 0.000 2.093 2 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 2 L C 2.216 179.135 176.870 0.081 0.000 1.085 2 L CA 1.929 56.836 54.840 0.113 0.000 0.755 2 L CB -0.525 41.574 42.059 0.066 0.000 0.904 2 L HN 0.762 nan 8.230 nan 0.000 0.435 3 T N -3.341 111.251 114.554 0.063 0.000 3.118 3 T HA -0.224 4.125 4.350 -0.000 0.000 0.269 3 T C 1.448 176.181 174.700 0.055 0.000 1.166 3 T CA 1.539 63.666 62.100 0.046 0.000 1.073 3 T CB -0.121 68.767 68.868 0.033 0.000 0.884 3 T HN 0.435 nan 8.240 nan 0.000 0.550 4 E N -0.665 119.580 120.200 0.075 0.000 2.244 4 E HA 0.242 4.592 4.350 -0.000 0.000 0.196 4 E C 1.748 178.399 176.600 0.084 0.000 0.939 4 E CA -0.078 56.366 56.400 0.074 0.000 0.884 4 E CB 0.005 29.752 29.700 0.079 0.000 0.850 4 E HN 0.380 nan 8.360 nan 0.000 0.481 5 L N 1.184 122.469 121.223 0.104 0.000 2.049 5 L HA 0.007 4.347 4.340 -0.000 0.000 0.203 5 L C 2.078 178.994 176.870 0.076 0.000 1.074 5 L CA 1.551 56.437 54.840 0.076 0.000 0.749 5 L CB -0.261 41.805 42.059 0.012 0.000 0.907 5 L HN -0.062 nan 8.230 nan 0.000 0.439 6 R N 0.222 120.797 120.500 0.126 0.000 2.119 6 R HA -0.245 4.095 4.340 -0.000 0.000 0.246 6 R C 2.041 178.464 176.300 0.205 0.000 1.146 6 R CA 2.003 58.250 56.100 0.245 0.000 0.962 6 R CB -0.718 29.654 30.300 0.120 0.000 0.863 6 R HN 0.722 nan 8.270 nan 0.000 0.442 7 E N 0.571 120.835 120.200 0.108 0.000 2.274 7 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 7 E C 0.724 177.362 176.600 0.063 0.000 0.996 7 E CA 1.247 57.695 56.400 0.080 0.000 0.840 7 E CB 0.005 29.736 29.700 0.051 0.000 0.772 7 E HN 0.276 nan 8.360 nan 0.000 0.491 8 D N 1.513 121.943 120.400 0.050 0.000 2.091 8 D HA -0.060 4.580 4.640 -0.000 0.000 0.199 8 D C 1.985 178.277 176.300 -0.014 0.000 0.980 8 D CA 1.172 55.180 54.000 0.014 0.000 0.831 8 D CB -0.110 40.693 40.800 0.005 0.000 0.987 8 D HN 0.188 nan 8.370 nan 0.000 0.460 9 I N 0.993 121.536 120.570 -0.046 0.000 2.194 9 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 9 I C 1.711 177.795 176.117 -0.055 0.000 1.093 9 I CA 1.170 62.374 61.300 -0.161 0.000 1.355 9 I CB -0.290 37.413 38.000 -0.496 0.000 1.046 9 I HN -0.032 nan 8.210 nan 0.000 0.413 10 D N 1.040 121.489 120.400 0.082 0.000 2.133 10 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 10 D C 2.231 178.556 176.300 0.041 0.000 0.997 10 D CA 1.719 55.782 54.000 0.104 0.000 0.840 10 D CB -0.190 40.681 40.800 0.118 0.000 0.947 10 D HN 0.396 nan 8.370 nan 0.000 0.452 11 A N 0.391 123.225 122.820 0.023 0.000 1.873 11 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 11 A C 2.370 179.949 177.584 -0.008 0.000 1.186 11 A CA 0.873 52.915 52.037 0.008 0.000 0.616 11 A CB -0.671 18.332 19.000 0.006 0.000 0.823 11 A HN 0.219 nan 8.150 nan 0.000 0.442 12 I N -0.224 120.330 120.570 -0.027 0.000 2.286 12 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 12 I C 2.028 178.122 176.117 -0.040 0.000 1.115 12 I CA 1.060 62.334 61.300 -0.044 0.000 1.392 12 I CB -0.343 37.611 38.000 -0.076 0.000 1.065 12 I HN 0.251 nan 8.210 nan 0.000 0.418 13 L N 0.411 121.614 121.223 -0.033 0.000 2.551 13 L HA -0.085 4.255 4.340 -0.000 0.000 0.228 13 L C 1.809 178.679 176.870 0.000 0.000 1.153 13 L CA 0.540 55.369 54.840 -0.017 0.000 0.851 13 L CB -0.360 41.703 42.059 0.006 0.000 0.959 13 L HN 0.228 nan 8.230 nan 0.000 0.451 14 E N -0.057 120.145 120.200 0.002 0.000 2.476 14 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 14 E C 0.042 176.642 176.600 -0.000 0.000 1.064 14 E CA 0.019 56.423 56.400 0.007 0.000 0.866 14 E CB -0.261 29.445 29.700 0.010 0.000 0.952 14 E HN 0.400 nan 8.360 nan 0.000 0.492 15 D N 1.266 121.660 120.400 -0.009 0.000 2.478 15 D HA -0.071 4.569 4.640 -0.000 0.000 0.234 15 D C -1.148 175.149 176.300 -0.006 0.000 1.154 15 D CA -0.874 53.119 54.000 -0.013 0.000 0.874 15 D CB 1.152 41.937 40.800 -0.025 0.000 1.198 15 D HN -0.071 nan 8.370 nan 0.000 0.455 16 P HA -0.124 nan 4.420 nan 0.000 0.221 16 P C 0.719 178.023 177.300 0.006 0.000 1.150 16 P CA 0.841 63.943 63.100 0.003 0.000 0.800 16 P CB 0.024 31.725 31.700 0.002 0.000 0.787 17 A N -0.656 122.162 122.820 -0.004 0.000 2.178 17 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 17 A C 1.928 179.514 177.584 0.003 0.000 1.157 17 A CA 1.008 53.042 52.037 -0.004 0.000 0.689 17 A CB -1.174 17.808 19.000 -0.030 0.000 0.787 17 A HN 0.147 nan 8.150 nan 0.000 0.465 18 L N -0.212 121.012 121.223 0.002 0.000 2.640 18 L HA 0.201 4.541 4.340 -0.000 0.000 0.230 18 L C 0.066 176.958 176.870 0.037 0.000 1.123 18 L CA 0.036 54.885 54.840 0.015 0.000 0.900 18 L CB 0.002 42.058 42.059 -0.005 0.000 1.146 18 L HN 0.153 nan 8.230 nan 0.000 0.484 19 E N 0.702 120.922 120.200 0.034 0.000 2.585 19 E HA 0.186 4.536 4.350 -0.000 0.000 0.252 19 E C 1.271 177.894 176.600 0.039 0.000 0.981 19 E CA 0.868 57.287 56.400 0.031 0.000 0.943 19 E CB -0.007 29.708 29.700 0.025 0.000 0.923 19 E HN 0.351 nan 8.360 nan 0.000 0.486 20 G N 2.085 110.905 108.800 0.033 0.000 2.153 20 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 20 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 20 G C 0.469 175.393 174.900 0.039 0.000 0.994 20 G CA 0.484 45.602 45.100 0.031 0.000 0.698 20 G HN 0.776 nan 8.290 nan 0.000 0.521 21 A N -1.392 121.461 122.820 0.055 0.000 2.420 21 A HA 0.921 5.241 4.320 -0.000 0.000 0.291 21 A C -0.010 177.610 177.584 0.059 0.000 1.228 21 A CA 0.032 52.113 52.037 0.074 0.000 0.933 21 A CB 1.613 20.693 19.000 0.133 0.000 1.428 21 A HN 1.180 nan 8.150 nan 0.000 0.493 22 V N 1.447 121.401 119.914 0.068 0.000 2.443 22 V HA 0.312 4.432 4.120 -0.000 0.000 0.272 22 V C -0.496 175.635 176.094 0.060 0.000 1.002 22 V CA -0.437 61.895 62.300 0.054 0.000 0.840 22 V CB 0.781 32.629 31.823 0.041 0.000 1.042 22 V HN 0.713 nan 8.190 nan 0.000 0.446 23 S N 2.820 118.554 115.700 0.057 0.000 2.475 23 S HA 0.619 5.089 4.470 -0.000 0.000 0.281 23 S C 0.606 175.243 174.600 0.063 0.000 1.198 23 S CA -0.399 57.833 58.200 0.053 0.000 1.063 23 S CB 1.607 64.829 63.200 0.038 0.000 0.972 23 S HN 0.905 nan 8.310 nan 0.000 0.486 24 G N 2.187 111.023 108.800 0.061 0.000 2.504 24 G HA2 0.523 4.483 3.960 -0.000 0.000 0.326 24 G HA3 0.523 4.483 3.960 -0.000 0.000 0.326 24 G C -0.646 174.304 174.900 0.083 0.000 1.073 24 G CA -0.449 44.694 45.100 0.071 0.000 1.030 24 G HN 0.596 nan 8.290 nan 0.000 0.448 25 V N 2.523 122.510 119.914 0.121 0.000 2.459 25 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 25 V C -0.322 175.893 176.094 0.202 0.000 1.029 25 V CA -0.788 61.589 62.300 0.127 0.000 0.874 25 V CB 1.734 33.590 31.823 0.055 0.000 0.985 25 V HN 0.437 nan 8.190 nan 0.000 0.438 26 V N 5.084 125.098 119.914 0.166 0.000 2.567 26 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 26 V C -0.566 175.629 176.094 0.167 0.000 1.047 26 V CA -0.467 61.938 62.300 0.175 0.000 0.880 26 V CB 2.148 34.039 31.823 0.113 0.000 1.009 26 V HN 0.634 nan 8.190 nan 0.000 0.429 27 V N 5.623 125.645 119.914 0.181 0.000 2.459 27 V HA 0.722 4.842 4.120 -0.000 0.000 0.295 27 V C -0.354 175.807 176.094 0.113 0.000 1.029 27 V CA -0.551 61.838 62.300 0.147 0.000 0.874 27 V CB 2.042 33.916 31.823 0.084 0.000 0.985 27 V HN 0.591 nan 8.190 nan 0.000 0.438 28 V N 2.895 122.876 119.914 0.112 0.000 2.925 28 V HA 0.411 4.531 4.120 -0.000 0.000 0.311 28 V C -0.938 175.221 176.094 0.108 0.000 1.104 28 V CA -0.773 61.583 62.300 0.094 0.000 0.954 28 V CB 2.451 34.325 31.823 0.085 0.000 1.022 28 V HN 0.979 nan 8.190 nan 0.000 0.427 29 D N 1.653 122.111 120.400 0.095 0.000 2.359 29 D HA 0.346 4.986 4.640 -0.000 0.000 0.230 29 D C 1.169 177.526 176.300 0.095 0.000 1.118 29 D CA 0.004 54.069 54.000 0.108 0.000 0.844 29 D CB 1.638 42.502 40.800 0.107 0.000 1.059 29 D HN 0.599 nan 8.370 nan 0.000 0.493 30 T N 2.537 117.156 114.554 0.108 0.000 2.635 30 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 30 T C 1.929 176.662 174.700 0.055 0.000 1.040 30 T CA 1.556 63.708 62.100 0.086 0.000 1.156 30 T CB -0.355 68.567 68.868 0.091 0.000 0.863 30 T HN 0.568 nan 8.240 nan 0.000 0.430 31 A N 1.865 124.718 122.820 0.055 0.000 1.842 31 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 31 A C 2.704 180.308 177.584 0.035 0.000 1.206 31 A CA 3.163 55.223 52.037 0.038 0.000 0.630 31 A CB -1.548 17.477 19.000 0.041 0.000 0.839 31 A HN 0.668 nan 8.150 nan 0.000 0.447 32 T N -4.498 110.083 114.554 0.045 0.000 2.770 32 T HA 0.345 4.695 4.350 -0.000 0.000 0.263 32 T C 1.644 176.366 174.700 0.037 0.000 1.039 32 T CA 1.799 63.923 62.100 0.039 0.000 1.142 32 T CB -0.349 68.547 68.868 0.048 0.000 0.868 32 T HN 1.953 nan 8.240 nan 0.000 0.435 33 G N 0.828 109.655 108.800 0.046 0.000 2.184 33 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.206 33 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.206 33 G C -0.143 174.783 174.900 0.043 0.000 0.995 33 G CA 0.146 45.271 45.100 0.041 0.000 0.651 33 G HN 0.849 nan 8.290 nan 0.000 0.511 34 E N 1.086 121.315 120.200 0.048 0.000 2.414 34 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 34 E C 0.143 176.772 176.600 0.048 0.000 1.000 34 E CA -0.136 56.292 56.400 0.046 0.000 0.914 34 E CB 0.293 30.025 29.700 0.054 0.000 0.948 34 E HN 0.366 nan 8.360 nan 0.000 0.444 35 E N 5.804 126.026 120.200 0.037 0.000 1.861 35 E HA 0.021 4.371 4.350 -0.000 0.000 0.263 35 E C 0.816 177.436 176.600 0.033 0.000 1.137 35 E CA -0.220 56.203 56.400 0.038 0.000 0.944 35 E CB 0.128 29.842 29.700 0.023 0.000 1.092 35 E HN 0.674 nan 8.360 nan 0.000 0.420 36 L N 3.843 125.090 121.223 0.040 0.000 2.127 36 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 36 L C 0.540 177.454 176.870 0.074 0.000 1.089 36 L CA 1.171 56.019 54.840 0.013 0.000 0.757 36 L CB -0.274 41.744 42.059 -0.070 0.000 0.899 36 L HN 0.540 nan 8.230 nan 0.000 0.434 37 Y N -1.626 118.648 120.300 -0.045 0.000 2.565 37 Y HA 0.473 5.022 4.550 -0.000 0.000 0.330 37 Y C -1.090 174.805 175.900 -0.008 0.000 1.150 37 Y CA -1.260 56.819 58.100 -0.034 0.000 1.055 37 Y CB 1.825 40.252 38.460 -0.055 0.000 1.337 37 Y HN -0.276 nan 8.280 nan 0.000 0.457 38 S N 4.923 120.490 115.700 -0.222 0.000 2.605 38 S HA 0.633 5.103 4.470 -0.000 0.000 0.279 38 S C -2.039 172.498 174.600 -0.106 0.000 1.166 38 S CA -0.692 57.499 58.200 -0.016 0.000 0.975 38 S CB 0.809 63.993 63.200 -0.026 0.000 1.111 38 S HN 0.846 nan 8.310 nan 0.000 0.465 39 R N 3.393 123.951 120.500 0.096 0.000 2.515 39 R HA 0.359 4.699 4.340 -0.000 0.000 0.291 39 R C -0.959 175.390 176.300 0.083 0.000 1.046 39 R CA -0.285 55.862 56.100 0.079 0.000 0.914 39 R CB 0.643 31.062 30.300 0.199 0.000 1.191 39 R HN 0.733 nan 8.270 nan 0.000 0.435 40 D N 2.926 123.353 120.400 0.044 0.000 2.882 40 D HA -0.173 4.466 4.640 -0.000 0.000 0.229 40 D C 0.874 177.201 176.300 0.045 0.000 1.167 40 D CA 1.385 55.410 54.000 0.041 0.000 0.759 40 D CB -0.744 40.084 40.800 0.046 0.000 1.088 40 D HN 0.930 nan 8.370 nan 0.000 0.425 41 G N 0.311 109.139 108.800 0.047 0.000 2.501 41 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.220 41 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.220 41 G C 1.526 176.450 174.900 0.040 0.000 1.114 41 G CA 1.099 46.230 45.100 0.051 0.000 0.757 41 G HN 0.477 nan 8.290 nan 0.000 0.559 42 G N -0.576 108.242 108.800 0.029 0.000 2.887 42 G HA2 0.219 4.178 3.960 -0.000 0.000 0.211 42 G HA3 0.219 4.178 3.960 -0.000 0.000 0.211 42 G C 0.382 175.293 174.900 0.019 0.000 1.152 42 G CA -0.253 44.861 45.100 0.023 0.000 0.769 42 G HN 0.340 nan 8.290 nan 0.000 0.541 43 E N 1.405 121.617 120.200 0.021 0.000 2.417 43 E HA 0.189 4.539 4.350 -0.000 0.000 0.261 43 E C 0.285 176.893 176.600 0.013 0.000 1.000 43 E CA 0.164 56.574 56.400 0.017 0.000 0.919 43 E CB 0.379 30.092 29.700 0.022 0.000 0.955 43 E HN 0.355 nan 8.360 nan 0.000 0.455 44 Q N 3.250 123.052 119.800 0.004 0.000 2.296 44 Q HA 0.396 4.736 4.340 -0.000 0.000 0.262 44 Q C -0.432 175.566 176.000 -0.004 0.000 0.981 44 Q CA 0.025 55.824 55.803 -0.006 0.000 0.905 44 Q CB 0.758 29.486 28.738 -0.016 0.000 1.186 44 Q HN 0.402 nan 8.270 nan 0.000 0.399 45 L N 1.899 123.118 121.223 -0.006 0.000 2.376 45 L HA 0.438 4.778 4.340 -0.000 0.000 0.258 45 L C -0.951 175.911 176.870 -0.013 0.000 1.013 45 L CA -1.339 53.501 54.840 -0.001 0.000 0.822 45 L CB 1.226 43.295 42.059 0.017 0.000 1.388 45 L HN 0.385 nan 8.230 nan 0.000 0.413 46 L N 3.661 124.875 121.223 -0.014 0.000 2.410 46 L HA 0.190 4.530 4.340 -0.000 0.000 0.273 46 L C -1.424 175.438 176.870 -0.014 0.000 1.144 46 L CA -0.566 54.257 54.840 -0.027 0.000 0.863 46 L CB 0.212 42.250 42.059 -0.035 0.000 1.140 46 L HN 0.408 nan 8.230 nan 0.000 0.463 47 P HA 0.096 nan 4.420 nan 0.000 0.245 47 P C 0.553 177.849 177.300 -0.006 0.000 1.199 47 P CA 0.950 64.052 63.100 0.004 0.000 0.807 47 P CB 0.691 32.404 31.700 0.022 0.000 1.002 48 A N 0.554 123.358 122.820 -0.027 0.000 5.699 48 A HA -0.254 4.066 4.320 -0.000 0.000 0.280 48 A C 1.748 179.316 177.584 -0.028 0.000 2.071 48 A CA 1.321 53.330 52.037 -0.047 0.000 0.714 48 A CB -2.467 16.502 19.000 -0.051 0.000 1.162 48 A HN 0.141 nan 8.150 nan 0.000 0.363 49 S N 0.365 116.039 115.700 -0.042 0.000 2.500 49 S HA -0.112 4.358 4.470 -0.000 0.000 0.239 49 S C 1.485 176.072 174.600 -0.023 0.000 0.989 49 S CA 1.464 59.645 58.200 -0.031 0.000 0.951 49 S CB -0.718 62.446 63.200 -0.060 0.000 0.759 49 S HN 0.645 nan 8.310 nan 0.000 0.523 50 N N 1.258 119.952 118.700 -0.010 0.000 2.364 50 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 50 N C 1.473 177.059 175.510 0.127 0.000 1.022 50 N CA 0.663 53.720 53.050 0.012 0.000 0.883 50 N CB -0.255 38.246 38.487 0.023 0.000 0.965 50 N HN 0.278 nan 8.380 nan 0.000 0.438 51 M N 0.934 120.618 119.600 0.140 0.000 2.267 51 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 51 M C 1.278 177.744 176.300 0.275 0.000 1.063 51 M CA 1.484 56.921 55.300 0.229 0.000 1.090 51 M CB -0.051 32.609 32.600 0.100 0.000 1.392 51 M HN -0.047 nan 8.290 nan 0.000 0.422 52 K N -0.368 120.117 120.400 0.142 0.000 2.211 52 K HA -0.120 4.199 4.320 -0.000 0.000 0.204 52 K C 1.827 178.458 176.600 0.052 0.000 1.047 52 K CA 1.213 57.559 56.287 0.099 0.000 0.935 52 K CB -0.420 32.004 32.500 -0.126 0.000 0.728 52 K HN 0.421 nan 8.250 nan 0.000 0.452 53 L N -0.345 120.892 121.223 0.024 0.000 2.083 53 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 53 L C 2.028 178.968 176.870 0.117 0.000 1.083 53 L CA 1.268 56.097 54.840 -0.018 0.000 0.752 53 L CB -0.368 41.628 42.059 -0.104 0.000 0.899 53 L HN 0.101 nan 8.230 nan 0.000 0.433 54 F N -0.472 119.577 119.950 0.164 0.000 2.259 54 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 54 F C 2.615 178.506 175.800 0.151 0.000 1.088 54 F CA 1.270 59.359 58.000 0.148 0.000 1.358 54 F CB -0.917 38.140 39.000 0.095 0.000 1.040 54 F HN -0.041 nan 8.300 nan 0.000 0.505 55 T N -0.170 114.591 114.554 0.345 0.000 2.737 55 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 55 T C 2.346 177.211 174.700 0.276 0.000 1.038 55 T CA 1.261 63.538 62.100 0.295 0.000 1.144 55 T CB -0.626 68.455 68.868 0.355 0.000 0.866 55 T HN 0.262 nan 8.240 nan 0.000 0.434 56 A N 1.700 124.706 122.820 0.311 0.000 1.865 56 A HA 0.097 4.416 4.320 -0.000 0.000 0.217 56 A C 2.648 180.335 177.584 0.172 0.000 1.191 56 A CA 2.031 54.240 52.037 0.287 0.000 0.623 56 A CB -1.313 17.770 19.000 0.137 0.000 0.826 56 A HN 0.499 nan 8.150 nan 0.000 0.444 57 A N -0.016 122.960 122.820 0.261 0.000 1.849 57 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 57 A C 2.568 180.058 177.584 -0.156 0.000 1.202 57 A CA 2.839 54.811 52.037 -0.108 0.000 0.629 57 A CB -1.354 17.587 19.000 -0.099 0.000 0.834 57 A HN 1.291 nan 8.150 nan 0.000 0.447 58 A N -0.624 122.205 122.820 0.015 0.000 2.024 58 A HA 0.126 4.446 4.320 -0.000 0.000 0.220 58 A C 2.443 180.016 177.584 -0.017 0.000 1.164 58 A CA 2.274 54.327 52.037 0.027 0.000 0.643 58 A CB -0.945 18.108 19.000 0.088 0.000 0.806 58 A HN 1.124 nan 8.150 nan 0.000 0.451 59 A N -0.171 122.641 122.820 -0.014 0.000 1.841 59 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 59 A C 2.113 179.624 177.584 -0.122 0.000 1.195 59 A CA 1.417 53.438 52.037 -0.027 0.000 0.611 59 A CB -0.709 18.319 19.000 0.047 0.000 0.835 59 A HN 0.448 nan 8.150 nan 0.000 0.443 60 L N -0.719 120.343 121.223 -0.268 0.000 2.127 60 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 60 L C 2.563 179.222 176.870 -0.351 0.000 1.089 60 L CA 1.761 56.315 54.840 -0.477 0.000 0.757 60 L CB -0.397 40.970 42.059 -1.154 0.000 0.899 60 L HN 0.533 nan 8.230 nan 0.000 0.434 61 E N -0.073 119.991 120.200 -0.227 0.000 1.998 61 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 61 E C 2.099 178.726 176.600 0.045 0.000 0.994 61 E CA 1.412 57.850 56.400 0.064 0.000 0.835 61 E CB -0.268 29.495 29.700 0.105 0.000 0.786 61 E HN 0.074 nan 8.360 nan 0.000 0.467 62 V N 0.756 120.677 119.914 0.013 0.000 2.317 62 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 62 V C 2.309 178.389 176.094 -0.023 0.000 1.065 62 V CA 2.060 64.362 62.300 0.004 0.000 1.049 62 V CB -0.547 31.271 31.823 -0.007 0.000 0.651 62 V HN 0.317 nan 8.190 nan 0.000 0.450 63 L N -1.265 119.912 121.223 -0.077 0.000 2.425 63 L HA 0.517 4.856 4.340 -0.000 0.000 0.215 63 L C 1.129 177.981 176.870 -0.030 0.000 1.065 63 L CA 0.612 55.355 54.840 -0.161 0.000 0.842 63 L CB -0.269 41.536 42.059 -0.422 0.000 1.033 63 L HN 0.530 nan 8.230 nan 0.000 0.474 64 G N -0.064 108.730 108.800 -0.011 0.000 2.716 64 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 64 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 64 G C 0.458 175.390 174.900 0.052 0.000 1.337 64 G CA -0.313 44.820 45.100 0.056 0.000 0.829 64 G HN 0.230 nan 8.290 nan 0.000 0.599 65 A N 0.224 123.096 122.820 0.087 0.000 2.216 65 A HA 0.158 4.478 4.320 -0.000 0.000 0.214 65 A C 1.965 179.589 177.584 0.067 0.000 1.160 65 A CA 2.051 54.140 52.037 0.087 0.000 0.725 65 A CB -0.248 18.838 19.000 0.143 0.000 0.784 65 A HN 1.061 nan 8.150 nan 0.000 0.472 66 D N -1.669 118.767 120.400 0.060 0.000 2.355 66 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 66 D C 0.720 177.005 176.300 -0.024 0.000 1.010 66 D CA -0.156 53.856 54.000 0.020 0.000 0.875 66 D CB -0.763 40.050 40.800 0.021 0.000 0.966 66 D HN 0.590 nan 8.370 nan 0.000 0.512 67 H N 1.372 120.370 119.070 -0.121 0.000 2.998 67 H HA 0.191 4.747 4.556 -0.000 0.000 0.353 67 H C 0.091 175.197 175.328 -0.369 0.000 1.099 67 H CA 0.978 56.886 56.048 -0.234 0.000 1.393 67 H CB 0.582 30.194 29.762 -0.250 0.000 1.343 67 H HN 0.099 nan 8.280 nan 0.000 0.609 68 S N 3.079 118.290 115.700 -0.816 0.000 2.607 68 S HA 0.559 5.029 4.470 -0.000 0.000 0.273 68 S C -1.516 172.541 174.600 -0.905 0.000 1.148 68 S CA -1.024 56.778 58.200 -0.664 0.000 0.833 68 S CB 1.262 64.249 63.200 -0.355 0.000 1.130 68 S HN 0.423 nan 8.310 nan 0.000 0.470 69 F N 0.099 119.970 119.950 -0.132 0.000 2.522 69 F HA 0.842 5.369 4.527 -0.000 0.000 0.324 69 F C 0.917 176.610 175.800 -0.180 0.000 1.077 69 F CA -0.382 57.542 58.000 -0.127 0.000 0.944 69 F CB 2.318 41.288 39.000 -0.051 0.000 1.175 69 F HN 1.019 nan 8.300 nan 0.000 0.468 70 G N 0.041 108.821 108.800 -0.034 0.000 2.574 70 G HA2 0.662 4.622 3.960 -0.000 0.000 0.299 70 G HA3 0.662 4.622 3.960 -0.000 0.000 0.299 70 G C -1.624 173.210 174.900 -0.111 0.000 1.298 70 G CA -0.816 44.224 45.100 -0.100 0.000 0.952 70 G HN 0.532 nan 8.290 nan 0.000 0.477 71 T N 0.642 115.154 114.554 -0.070 0.000 2.863 71 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 71 T C -0.773 173.878 174.700 -0.082 0.000 1.009 71 T CA -0.622 61.424 62.100 -0.090 0.000 0.989 71 T CB 2.257 71.094 68.868 -0.053 0.000 1.004 71 T HN 0.544 nan 8.240 nan 0.000 0.455 72 E N 0.816 120.952 120.200 -0.107 0.000 2.340 72 E HA 0.625 4.975 4.350 -0.000 0.000 0.273 72 E C -1.269 175.293 176.600 -0.063 0.000 0.891 72 E CA -0.995 55.364 56.400 -0.070 0.000 0.757 72 E CB 2.523 32.187 29.700 -0.060 0.000 1.231 72 E HN 0.258 nan 8.360 nan 0.000 0.439 73 V N 1.091 120.996 119.914 -0.015 0.000 2.547 73 V HA 0.843 4.963 4.120 -0.000 0.000 0.299 73 V C -0.421 175.741 176.094 0.114 0.000 1.040 73 V CA -0.466 61.859 62.300 0.041 0.000 0.913 73 V CB 1.351 33.237 31.823 0.105 0.000 0.992 73 V HN 0.811 nan 8.190 nan 0.000 0.449 74 A N 3.198 126.140 122.820 0.204 0.000 2.574 74 A HA 0.981 5.301 4.320 -0.000 0.000 0.297 74 A C -0.725 177.087 177.584 0.379 0.000 1.062 74 A CA -0.068 52.113 52.037 0.241 0.000 0.686 74 A CB 1.858 20.991 19.000 0.223 0.000 1.285 74 A HN 1.524 nan 8.150 nan 0.000 0.403 75 A N 0.125 123.085 122.820 0.234 0.000 2.430 75 A HA 0.740 5.060 4.320 -0.000 0.000 0.300 75 A C 0.627 177.980 177.584 -0.385 0.000 1.124 75 A CA 0.218 52.327 52.037 0.120 0.000 0.766 75 A CB 1.077 20.114 19.000 0.063 0.000 1.328 75 A HN 1.031 nan 8.150 nan 0.000 0.424 76 E N 0.063 119.649 120.200 -1.024 0.000 2.160 76 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 76 E C 0.195 176.418 176.600 -0.628 0.000 0.991 76 E CA 1.647 57.159 56.400 -1.481 0.000 0.810 76 E CB 0.082 28.959 29.700 -1.371 0.000 0.742 76 E HN 0.613 nan 8.360 nan 0.000 0.466 77 S N -1.748 113.739 115.700 -0.355 0.000 2.688 77 S HA 0.631 5.100 4.470 -0.000 0.000 0.275 77 S C -1.029 173.505 174.600 -0.110 0.000 1.175 77 S CA -0.576 57.506 58.200 -0.196 0.000 0.818 77 S CB 1.420 64.520 63.200 -0.165 0.000 1.157 77 S HN 0.315 nan 8.310 nan 0.000 0.482 78 A N 2.164 124.941 122.820 -0.071 0.000 2.346 78 A HA 0.634 4.954 4.320 -0.000 0.000 0.252 78 A C -2.386 175.179 177.584 -0.031 0.000 1.089 78 A CA -1.164 50.851 52.037 -0.038 0.000 0.797 78 A CB -0.869 18.114 19.000 -0.028 0.000 1.047 78 A HN 0.546 nan 8.150 nan 0.000 0.494 79 P HA 0.121 nan 4.420 nan 0.000 0.264 79 P C 0.544 177.835 177.300 -0.014 0.000 1.193 79 P CA 0.527 63.621 63.100 -0.010 0.000 0.763 79 P CB 0.361 32.061 31.700 -0.001 0.000 0.810 80 G N 3.548 112.339 108.800 -0.014 0.000 2.529 80 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.277 80 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.277 80 G C 1.180 176.073 174.900 -0.010 0.000 1.383 80 G CA -0.445 44.646 45.100 -0.014 0.000 1.050 80 G HN 0.424 nan 8.290 nan 0.000 0.526 81 R N -0.727 119.768 120.500 -0.010 0.000 2.097 81 R HA -0.091 4.249 4.340 -0.000 0.000 0.236 81 R C 2.563 178.859 176.300 -0.006 0.000 1.135 81 R CA 1.591 57.686 56.100 -0.008 0.000 0.934 81 R CB -0.270 30.026 30.300 -0.007 0.000 0.846 81 R HN 0.358 nan 8.270 nan 0.000 0.431 82 R N 0.128 120.625 120.500 -0.005 0.000 2.339 82 R HA 0.010 4.350 4.340 -0.000 0.000 0.199 82 R C 0.567 176.864 176.300 -0.005 0.000 1.018 82 R CA 0.586 56.683 56.100 -0.005 0.000 1.036 82 R CB 0.104 30.402 30.300 -0.004 0.000 0.899 82 R HN 0.537 nan 8.270 nan 0.000 0.473 83 G N 2.495 111.292 108.800 -0.005 0.000 2.256 83 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.272 83 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.272 83 G C -0.403 174.496 174.900 -0.002 0.000 1.076 83 G CA 0.332 45.429 45.100 -0.004 0.000 0.882 83 G HN 0.448 nan 8.290 nan 0.000 0.497 84 E N -0.445 119.755 120.200 -0.001 0.000 2.199 84 E HA 0.679 5.029 4.350 -0.000 0.000 0.269 84 E C -0.041 176.563 176.600 0.007 0.000 0.899 84 E CA -0.640 55.763 56.400 0.004 0.000 0.772 84 E CB 2.305 32.008 29.700 0.004 0.000 1.155 84 E HN 0.989 nan 8.360 nan 0.000 0.408 85 V N 0.558 120.483 119.914 0.018 0.000 2.715 85 V HA 0.337 4.457 4.120 -0.000 0.000 0.310 85 V C 0.930 177.054 176.094 0.049 0.000 1.054 85 V CA -0.818 61.498 62.300 0.027 0.000 0.928 85 V CB 1.537 33.387 31.823 0.044 0.000 1.007 85 V HN 0.749 nan 8.190 nan 0.000 0.437 86 Q N 1.794 121.630 119.800 0.060 0.000 1.864 86 Q HA 0.089 4.429 4.340 -0.000 0.000 0.219 86 Q C 0.401 176.492 176.000 0.152 0.000 0.975 86 Q CA 1.877 57.738 55.803 0.097 0.000 0.862 86 Q CB -0.071 28.732 28.738 0.107 0.000 0.913 86 Q HN 0.926 nan 8.270 nan 0.000 0.431 87 D N -0.304 120.253 120.400 0.261 0.000 2.217 87 D HA 0.376 5.016 4.640 -0.000 0.000 0.248 87 D C -0.889 175.645 176.300 0.390 0.000 1.008 87 D CA -0.291 53.914 54.000 0.342 0.000 0.914 87 D CB 1.250 42.380 40.800 0.550 0.000 1.182 87 D HN 0.233 nan 8.370 nan 0.000 0.451 88 L N 1.838 123.221 121.223 0.266 0.000 2.386 88 L HA 0.382 4.722 4.340 -0.000 0.000 0.271 88 L C -1.437 175.544 176.870 0.185 0.000 0.993 88 L CA -0.821 54.198 54.840 0.297 0.000 0.819 88 L CB 1.493 43.678 42.059 0.209 0.000 1.294 88 L HN 0.330 nan 8.230 nan 0.000 0.414 89 Y N 3.782 124.236 120.300 0.257 0.000 2.350 89 Y HA 0.366 4.916 4.550 -0.000 0.000 0.338 89 Y C -0.303 175.635 175.900 0.064 0.000 0.961 89 Y CA -0.643 57.559 58.100 0.171 0.000 1.100 89 Y CB 2.010 40.532 38.460 0.104 0.000 1.179 89 Y HN 0.313 nan 8.280 nan 0.000 0.454 90 L N 5.356 126.627 121.223 0.080 0.000 2.287 90 L HA 0.564 4.904 4.340 -0.000 0.000 0.280 90 L C -1.195 175.639 176.870 -0.061 0.000 1.055 90 L CA -0.488 54.276 54.840 -0.127 0.000 0.863 90 L CB 0.169 42.027 42.059 -0.336 0.000 1.245 90 L HN 0.399 nan 8.230 nan 0.000 0.432 91 V N 4.485 124.370 119.914 -0.048 0.000 2.432 91 V HA 0.689 4.809 4.120 -0.000 0.000 0.275 91 V C 0.886 176.899 176.094 -0.135 0.000 1.043 91 V CA -0.220 62.044 62.300 -0.061 0.000 0.925 91 V CB 1.055 32.846 31.823 -0.053 0.000 0.985 91 V HN 0.838 nan 8.190 nan 0.000 0.466 92 G N 3.850 112.561 108.800 -0.148 0.000 2.388 92 G HA2 0.625 4.585 3.960 -0.000 0.000 0.330 92 G HA3 0.625 4.585 3.960 -0.000 0.000 0.330 92 G C -0.120 174.593 174.900 -0.312 0.000 1.142 92 G CA -0.687 44.293 45.100 -0.201 0.000 0.908 92 G HN 0.651 nan 8.290 nan 0.000 0.473 93 R N 1.146 121.404 120.500 -0.403 0.000 2.772 93 R HA 0.337 4.677 4.340 -0.000 0.000 0.358 93 R C 0.899 176.971 176.300 -0.379 0.000 1.143 93 R CA 0.157 55.815 56.100 -0.736 0.000 1.153 93 R CB 0.979 30.657 30.300 -1.037 0.000 1.329 93 R HN 1.057 nan 8.270 nan 0.000 0.615 94 G N 0.968 109.560 108.800 -0.348 0.000 2.132 94 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.234 94 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.234 94 G C -0.329 174.297 174.900 -0.457 0.000 0.989 94 G CA -0.033 44.886 45.100 -0.302 0.000 0.676 94 G HN 0.420 nan 8.290 nan 0.000 0.522 95 D N 0.682 120.935 120.400 -0.244 0.000 2.346 95 D HA 0.400 5.040 4.640 -0.000 0.000 0.260 95 D C -1.101 175.074 176.300 -0.209 0.000 1.252 95 D CA -1.747 52.143 54.000 -0.184 0.000 0.895 95 D CB 1.205 41.998 40.800 -0.011 0.000 1.097 95 D HN 0.175 nan 8.370 nan 0.000 0.489 96 P HA 0.099 nan 4.420 nan 0.000 0.257 96 P C 0.311 177.541 177.300 -0.117 0.000 1.281 96 P CA 0.404 63.384 63.100 -0.200 0.000 0.826 96 P CB 0.337 31.739 31.700 -0.497 0.000 1.237 97 T N -5.112 109.332 114.554 -0.184 0.000 3.170 97 T HA 0.196 4.546 4.350 -0.000 0.000 0.288 97 T C 0.323 175.075 174.700 0.086 0.000 0.992 97 T CA -0.300 61.644 62.100 -0.261 0.000 0.909 97 T CB -0.571 67.771 68.868 -0.875 0.000 1.133 97 T HN -0.031 nan 8.240 nan 0.000 0.530 98 L N 4.354 125.627 121.223 0.083 0.000 2.678 98 L HA 0.254 4.594 4.340 -0.000 0.000 0.276 98 L C 0.663 177.598 176.870 0.108 0.000 1.142 98 L CA -0.180 54.709 54.840 0.082 0.000 0.961 98 L CB 0.026 42.104 42.059 0.032 0.000 1.291 98 L HN 0.550 nan 8.230 nan 0.000 0.476 99 S N 3.145 118.911 115.700 0.110 0.000 2.686 99 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 99 S C 1.082 175.703 174.600 0.036 0.000 1.194 99 S CA -0.191 58.070 58.200 0.101 0.000 0.990 99 S CB 1.674 64.940 63.200 0.110 0.000 1.029 99 S HN 0.627 nan 8.310 nan 0.000 0.560 100 A N -0.191 122.652 122.820 0.038 0.000 2.067 100 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 100 A C 1.997 179.588 177.584 0.012 0.000 1.156 100 A CA 1.382 53.439 52.037 0.033 0.000 0.683 100 A CB -1.019 18.006 19.000 0.041 0.000 0.808 100 A HN 0.900 nan 8.150 nan 0.000 0.455 101 E N 0.975 121.172 120.200 -0.004 0.000 2.072 101 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 101 E C 1.179 177.748 176.600 -0.051 0.000 0.985 101 E CA 1.638 58.027 56.400 -0.018 0.000 0.801 101 E CB -0.177 29.515 29.700 -0.013 0.000 0.750 101 E HN 0.543 nan 8.360 nan 0.000 0.452 102 D N 0.005 120.337 120.400 -0.113 0.000 2.123 102 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 102 D C 2.083 178.309 176.300 -0.123 0.000 0.976 102 D CA 0.620 54.457 54.000 -0.271 0.000 0.831 102 D CB -0.266 40.175 40.800 -0.598 0.000 0.974 102 D HN 0.242 nan 8.370 nan 0.000 0.469 103 L N 0.784 121.989 121.223 -0.030 0.000 2.081 103 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 103 L C 2.161 179.146 176.870 0.192 0.000 1.080 103 L CA 1.187 56.095 54.840 0.113 0.000 0.754 103 L CB -0.213 41.934 42.059 0.147 0.000 0.893 103 L HN -0.024 nan 8.230 nan 0.000 0.433 104 D N -0.291 120.154 120.400 0.075 0.000 2.103 104 D HA -0.125 4.514 4.640 -0.000 0.000 0.199 104 D C 2.167 178.492 176.300 0.042 0.000 0.978 104 D CA 1.276 55.300 54.000 0.041 0.000 0.829 104 D CB 0.143 40.946 40.800 0.005 0.000 0.981 104 D HN 0.215 nan 8.370 nan 0.000 0.464 105 A N 0.382 123.217 122.820 0.025 0.000 1.948 105 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 105 A C 2.368 179.992 177.584 0.067 0.000 1.177 105 A CA 1.839 53.893 52.037 0.028 0.000 0.636 105 A CB -0.643 18.360 19.000 0.004 0.000 0.815 105 A HN 0.337 nan 8.150 nan 0.000 0.449 106 M N -0.976 118.693 119.600 0.115 0.000 2.254 106 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 106 M C 2.522 178.964 176.300 0.237 0.000 1.066 106 M CA 1.111 56.523 55.300 0.185 0.000 1.123 106 M CB -0.437 32.287 32.600 0.206 0.000 1.388 106 M HN 0.478 nan 8.290 nan 0.000 0.425 107 A N 0.775 123.718 122.820 0.204 0.000 1.940 107 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 107 A C 2.382 179.953 177.584 -0.022 0.000 1.176 107 A CA 1.964 53.980 52.037 -0.035 0.000 0.631 107 A CB -0.764 18.122 19.000 -0.189 0.000 0.814 107 A HN 0.484 nan 8.150 nan 0.000 0.446 108 A N -0.277 122.549 122.820 0.011 0.000 1.855 108 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 108 A C 1.901 179.498 177.584 0.021 0.000 1.191 108 A CA 1.532 53.572 52.037 0.005 0.000 0.613 108 A CB -0.600 18.406 19.000 0.009 0.000 0.829 108 A HN 0.587 nan 8.150 nan 0.000 0.442 109 E N -0.322 119.906 120.200 0.046 0.000 2.209 109 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 109 E C 1.886 178.517 176.600 0.053 0.000 0.993 109 E CA 1.229 57.659 56.400 0.050 0.000 0.819 109 E CB -0.225 29.514 29.700 0.064 0.000 0.745 109 E HN 0.429 nan 8.360 nan 0.000 0.477 110 V N 0.862 120.817 119.914 0.068 0.000 2.453 110 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 110 V C 2.244 178.354 176.094 0.025 0.000 1.048 110 V CA 1.669 64.008 62.300 0.066 0.000 1.049 110 V CB -0.522 31.357 31.823 0.093 0.000 0.672 110 V HN 0.305 nan 8.190 nan 0.000 0.457 111 A N 0.208 123.030 122.820 0.003 0.000 1.898 111 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 111 A C 2.400 179.984 177.584 -0.000 0.000 1.181 111 A CA 1.866 53.897 52.037 -0.010 0.000 0.620 111 A CB -0.748 18.238 19.000 -0.024 0.000 0.819 111 A HN 0.543 nan 8.150 nan 0.000 0.442 112 A N -0.707 122.117 122.820 0.006 0.000 2.015 112 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 112 A C 2.236 179.826 177.584 0.010 0.000 1.163 112 A CA 1.719 53.761 52.037 0.007 0.000 0.646 112 A CB -0.704 18.302 19.000 0.011 0.000 0.806 112 A HN 0.404 nan 8.150 nan 0.000 0.448 113 S N -1.495 114.215 115.700 0.016 0.000 2.547 113 S HA 0.250 4.720 4.470 -0.000 0.000 0.235 113 S C 1.410 176.016 174.600 0.010 0.000 0.980 113 S CA 1.051 59.261 58.200 0.017 0.000 0.941 113 S CB -0.212 63.005 63.200 0.028 0.000 0.763 113 S HN 1.619 nan 8.310 nan 0.000 0.532 114 G N 0.224 109.028 108.800 0.006 0.000 2.148 114 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.203 114 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.203 114 G C -0.049 174.852 174.900 0.002 0.000 0.993 114 G CA -0.171 44.930 45.100 0.002 0.000 0.661 114 G HN 0.376 nan 8.290 nan 0.000 0.518 115 V N 0.664 120.581 119.914 0.005 0.000 2.407 115 V HA 0.555 4.675 4.120 -0.000 0.000 0.278 115 V C 1.261 177.351 176.094 -0.006 0.000 1.037 115 V CA -0.223 62.080 62.300 0.004 0.000 0.900 115 V CB 1.409 33.242 31.823 0.016 0.000 0.983 115 V HN 0.359 nan 8.190 nan 0.000 0.459 116 R N 1.809 122.304 120.500 -0.009 0.000 2.369 116 R HA 0.286 4.626 4.340 -0.000 0.000 0.210 116 R C -0.101 176.188 176.300 -0.019 0.000 0.881 116 R CA 0.212 56.302 56.100 -0.016 0.000 1.031 116 R CB 1.108 31.400 30.300 -0.013 0.000 1.184 116 R HN 0.694 nan 8.270 nan 0.000 0.581 117 T N 0.270 114.817 114.554 -0.011 0.000 2.982 117 T HA 0.303 4.653 4.350 -0.000 0.000 0.321 117 T C -1.303 173.397 174.700 0.001 0.000 1.229 117 T CA -0.436 61.657 62.100 -0.011 0.000 1.044 117 T CB 2.964 71.828 68.868 -0.008 0.000 1.184 117 T HN -0.272 nan 8.240 nan 0.000 0.477 118 V N 4.031 123.945 119.914 -0.000 0.000 2.284 118 V HA 0.303 4.423 4.120 -0.000 0.000 0.274 118 V C 1.260 177.362 176.094 0.013 0.000 1.023 118 V CA -0.590 61.720 62.300 0.017 0.000 0.808 118 V CB 0.980 32.813 31.823 0.016 0.000 1.035 118 V HN 0.786 nan 8.190 nan 0.000 0.445 119 R N 2.556 123.070 120.500 0.022 0.000 2.189 119 R HA 0.032 4.372 4.340 -0.000 0.000 0.223 119 R C 1.360 177.676 176.300 0.028 0.000 1.092 119 R CA 1.023 57.136 56.100 0.021 0.000 0.989 119 R CB 0.232 30.547 30.300 0.025 0.000 0.876 119 R HN 0.748 nan 8.270 nan 0.000 0.457 120 G N 0.196 109.022 108.800 0.044 0.000 2.641 120 G HA2 0.127 4.087 3.960 -0.000 0.000 0.239 120 G HA3 0.127 4.087 3.960 -0.000 0.000 0.239 120 G C -0.586 174.315 174.900 0.002 0.000 1.402 120 G CA -0.604 44.528 45.100 0.053 0.000 1.046 120 G HN -0.047 nan 8.290 nan 0.000 0.565 121 D N -0.593 119.789 120.400 -0.030 0.000 2.340 121 D HA 0.352 4.992 4.640 -0.000 0.000 0.251 121 D C -0.764 175.372 176.300 -0.273 0.000 1.080 121 D CA -0.181 53.688 54.000 -0.219 0.000 0.971 121 D CB 2.397 42.925 40.800 -0.454 0.000 1.137 121 D HN 0.109 nan 8.370 nan 0.000 0.475 122 L N 1.758 122.766 121.223 -0.358 0.000 2.298 122 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 122 L C -1.649 174.972 176.870 -0.416 0.000 1.013 122 L CA -0.526 54.169 54.840 -0.241 0.000 0.824 122 L CB 0.490 42.507 42.059 -0.070 0.000 1.221 122 L HN 0.198 nan 8.230 nan 0.000 0.418 123 Y N 3.429 123.541 120.300 -0.313 0.000 2.361 123 Y HA 0.713 5.263 4.550 -0.000 0.000 0.332 123 Y C 0.492 176.292 175.900 -0.166 0.000 1.101 123 Y CA -0.471 57.431 58.100 -0.329 0.000 1.137 123 Y CB 1.866 39.888 38.460 -0.730 0.000 1.207 123 Y HN 0.730 nan 8.280 nan 0.000 0.463 124 A N 2.769 125.643 122.820 0.090 0.000 2.253 124 A HA 0.317 4.637 4.320 -0.000 0.000 0.316 124 A C -0.938 176.702 177.584 0.093 0.000 1.327 124 A CA -0.559 51.513 52.037 0.058 0.000 0.917 124 A CB 0.075 19.099 19.000 0.040 0.000 1.162 124 A HN 0.670 nan 8.150 nan 0.000 0.535 125 D N 2.708 123.160 120.400 0.087 0.000 2.349 125 D HA 0.307 4.946 4.640 -0.000 0.000 0.232 125 D C -0.792 175.521 176.300 0.022 0.000 1.071 125 D CA -0.157 53.897 54.000 0.089 0.000 0.832 125 D CB 1.345 42.226 40.800 0.136 0.000 1.086 125 D HN 0.553 nan 8.370 nan 0.000 0.504 126 D N 1.207 121.622 120.400 0.024 0.000 2.620 126 D HA -0.054 4.586 4.640 -0.000 0.000 0.260 126 D C 1.116 177.438 176.300 0.037 0.000 1.367 126 D CA -0.193 53.803 54.000 -0.006 0.000 0.805 126 D CB -0.374 40.416 40.800 -0.016 0.000 1.096 126 D HN 0.298 nan 8.370 nan 0.000 0.488 127 T N -3.890 110.702 114.554 0.063 0.000 3.155 127 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 127 T C 1.338 176.125 174.700 0.145 0.000 1.160 127 T CA -0.027 62.119 62.100 0.078 0.000 1.075 127 T CB -0.850 68.046 68.868 0.047 0.000 0.921 127 T HN 0.436 nan 8.240 nan 0.000 0.533 128 W N 1.095 122.343 121.300 -0.088 0.000 2.363 128 W HA 0.112 4.772 4.660 0.000 0.000 0.296 128 W C -0.233 176.378 176.519 0.153 0.000 1.212 128 W CA 0.209 57.512 57.345 -0.071 0.000 1.260 128 W CB 0.017 29.315 29.460 -0.270 0.000 1.131 128 W HN 0.254 nan 8.180 nan 0.000 0.530 129 F N 1.542 121.477 119.950 -0.025 0.000 2.541 129 F HA 0.116 4.643 4.527 -0.000 0.000 0.331 129 F C 0.587 176.301 175.800 -0.143 0.000 1.057 129 F CA -1.626 56.263 58.000 -0.185 0.000 0.975 129 F CB 0.797 39.692 39.000 -0.175 0.000 1.246 129 F HN -0.251 nan 8.300 nan 0.000 0.484 130 D N -0.644 119.758 120.400 0.004 0.000 2.360 130 D HA -0.010 4.630 4.640 -0.000 0.000 0.242 130 D C 0.548 176.844 176.300 -0.006 0.000 1.184 130 D CA -0.439 53.544 54.000 -0.027 0.000 0.930 130 D CB 1.044 41.798 40.800 -0.076 0.000 1.161 130 D HN 0.442 nan 8.370 nan 0.000 0.447 131 S N -1.375 114.330 115.700 0.010 0.000 2.803 131 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 131 S C 0.502 175.123 174.600 0.035 0.000 0.953 131 S CA -0.502 57.716 58.200 0.029 0.000 0.983 131 S CB -0.591 62.630 63.200 0.036 0.000 0.784 131 S HN 0.552 nan 8.310 nan 0.000 0.498 132 E N 1.664 121.875 120.200 0.019 0.000 2.070 132 E HA 0.158 4.508 4.350 -0.000 0.000 0.282 132 E C 0.558 177.241 176.600 0.137 0.000 1.104 132 E CA -0.486 55.973 56.400 0.098 0.000 0.876 132 E CB 0.351 30.154 29.700 0.171 0.000 1.055 132 E HN 0.225 nan 8.360 nan 0.000 0.401 133 R N 2.612 123.203 120.500 0.153 0.000 2.119 133 R HA 0.133 4.473 4.340 -0.000 0.000 0.222 133 R C 0.502 176.972 176.300 0.283 0.000 1.088 133 R CA 0.730 56.942 56.100 0.186 0.000 0.984 133 R CB -0.206 30.181 30.300 0.145 0.000 0.884 133 R HN 0.438 nan 8.270 nan 0.000 0.447 134 L N -0.328 121.003 121.223 0.181 0.000 2.371 134 L HA 0.407 4.746 4.340 -0.000 0.000 0.262 134 L C -0.313 176.181 176.870 -0.627 0.000 1.006 134 L CA -1.179 53.589 54.840 -0.119 0.000 0.818 134 L CB 2.545 44.646 42.059 0.070 0.000 1.354 134 L HN -0.354 nan 8.230 nan 0.000 0.415 135 V N 1.120 120.033 119.914 -1.668 0.000 2.740 135 V HA -0.046 4.074 4.120 -0.000 0.000 0.303 135 V C 0.857 176.430 176.094 -0.868 0.000 1.054 135 V CA 0.141 61.422 62.300 -1.698 0.000 1.106 135 V CB 0.939 31.388 31.823 -2.291 0.000 0.957 135 V HN 0.794 nan 8.190 nan 0.000 0.486 136 D N 2.965 123.044 120.400 -0.534 0.000 2.106 136 D HA -0.170 4.470 4.640 -0.000 0.000 0.191 136 D C 1.536 177.759 176.300 -0.128 0.000 0.997 136 D CA 1.997 55.850 54.000 -0.244 0.000 0.834 136 D CB -0.067 40.629 40.800 -0.172 0.000 0.956 136 D HN 0.926 nan 8.370 nan 0.000 0.448 137 D N -0.843 119.472 120.400 -0.141 0.000 2.363 137 D HA -0.117 4.522 4.640 -0.000 0.000 0.226 137 D C 0.401 176.758 176.300 0.096 0.000 1.020 137 D CA -0.169 53.828 54.000 -0.005 0.000 0.892 137 D CB -0.564 40.216 40.800 -0.033 0.000 0.900 137 D HN 0.097 nan 8.370 nan 0.000 0.531 138 W N 0.879 122.097 121.300 -0.137 0.000 2.137 138 W HA 0.216 4.876 4.660 -0.000 0.000 0.344 138 W C 0.600 177.145 176.519 0.044 0.000 1.286 138 W CA -1.193 56.065 57.345 -0.144 0.000 1.240 138 W CB 0.011 29.423 29.460 -0.079 0.000 1.141 138 W HN -0.043 nan 8.180 nan 0.000 0.579 139 W N 3.109 124.541 121.300 0.221 0.000 2.338 139 W HA 0.207 4.866 4.660 -0.000 0.000 0.307 139 W C -1.315 175.284 176.519 0.132 0.000 1.167 139 W CA -2.686 54.742 57.345 0.139 0.000 1.208 139 W CB -0.036 29.482 29.460 0.098 0.000 1.228 139 W HN 0.209 nan 8.180 nan 0.000 0.499 140 P HA -0.203 nan 4.420 nan 0.000 0.221 140 P C 1.154 178.550 177.300 0.159 0.000 1.145 140 P CA 1.759 64.975 63.100 0.194 0.000 0.795 140 P CB 0.508 32.286 31.700 0.130 0.000 0.775 141 E N -0.701 119.615 120.200 0.193 0.000 2.153 141 E HA -0.151 4.198 4.350 -0.000 0.000 0.194 141 E C 1.473 178.210 176.600 0.228 0.000 0.988 141 E CA 1.063 57.562 56.400 0.165 0.000 0.811 141 E CB -0.736 29.044 29.700 0.132 0.000 0.746 141 E HN 0.338 nan 8.360 nan 0.000 0.466 142 D N 0.166 120.743 120.400 0.296 0.000 2.323 142 D HA -0.055 4.585 4.640 -0.000 0.000 0.209 142 D C 1.165 177.465 176.300 0.001 0.000 0.973 142 D CA 0.239 54.420 54.000 0.302 0.000 0.874 142 D CB 0.017 41.049 40.800 0.387 0.000 0.930 142 D HN 0.309 nan 8.370 nan 0.000 0.521 143 E N 0.486 120.690 120.200 0.006 0.000 2.253 143 E HA -0.190 4.160 4.350 -0.000 0.000 0.202 143 E C -0.874 175.600 176.600 -0.211 0.000 1.014 143 E CA 0.952 57.320 56.400 -0.054 0.000 0.823 143 E CB -0.533 29.182 29.700 0.025 0.000 0.736 143 E HN 0.351 nan 8.360 nan 0.000 0.478 144 P HA -0.054 nan 4.420 nan 0.000 0.236 144 P C -0.537 176.356 177.300 -0.679 0.000 1.177 144 P CA 0.815 63.575 63.100 -0.566 0.000 0.773 144 P CB 0.121 31.390 31.700 -0.718 0.000 0.878 145 Y N -1.307 118.813 120.300 -0.301 0.000 2.320 145 Y HA 0.458 5.008 4.550 -0.000 0.000 0.324 145 Y C 1.968 177.604 175.900 -0.439 0.000 1.190 145 Y CA -1.010 56.835 58.100 -0.425 0.000 1.215 145 Y CB 0.426 38.455 38.460 -0.720 0.000 1.221 145 Y HN -0.210 nan 8.280 nan 0.000 0.486 146 A N 2.132 124.905 122.820 -0.079 0.000 1.958 146 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 146 A C 1.687 179.252 177.584 -0.031 0.000 1.178 146 A CA 2.285 54.302 52.037 -0.033 0.000 0.642 146 A CB -1.364 17.658 19.000 0.036 0.000 0.816 146 A HN 0.946 nan 8.150 nan 0.000 0.453 147 Y N -2.356 117.966 120.300 0.037 0.000 2.616 147 Y HA 0.333 4.883 4.550 -0.000 0.000 0.296 147 Y C 1.694 177.515 175.900 -0.132 0.000 1.154 147 Y CA 0.747 58.822 58.100 -0.043 0.000 1.325 147 Y CB -0.519 37.897 38.460 -0.073 0.000 1.007 147 Y HN 0.160 nan 8.280 nan 0.000 0.542 148 S N 0.185 115.701 115.700 -0.306 0.000 2.855 148 S HA 0.614 5.084 4.470 -0.000 0.000 0.249 148 S C 0.539 175.145 174.600 0.010 0.000 1.033 148 S CA -0.236 57.825 58.200 -0.232 0.000 1.038 148 S CB -0.920 62.111 63.200 -0.282 0.000 0.960 148 S HN 0.591 nan 8.310 nan 0.000 0.548 149 A N 1.553 124.394 122.820 0.034 0.000 2.531 149 A HA 0.306 4.626 4.320 -0.000 0.000 0.236 149 A C 0.405 178.119 177.584 0.216 0.000 1.062 149 A CA 0.123 52.217 52.037 0.095 0.000 0.760 149 A CB 0.083 19.128 19.000 0.074 0.000 0.995 149 A HN 0.695 nan 8.150 nan 0.000 0.501 150 Q N 0.562 120.475 119.800 0.188 0.000 2.349 150 Q HA 0.147 4.486 4.340 -0.000 0.000 0.287 150 Q C -0.249 175.880 176.000 0.215 0.000 1.044 150 Q CA 0.073 56.008 55.803 0.219 0.000 0.918 150 Q CB 0.437 29.267 28.738 0.154 0.000 1.242 150 Q HN 0.544 nan 8.270 nan 0.000 0.405 151 I N 1.213 121.926 120.570 0.238 0.000 2.440 151 I HA 0.328 4.498 4.170 -0.000 0.000 0.294 151 I C 0.263 176.458 176.117 0.130 0.000 0.995 151 I CA 0.204 61.615 61.300 0.185 0.000 1.306 151 I CB 1.242 39.328 38.000 0.143 0.000 1.407 151 I HN 0.545 nan 8.210 nan 0.000 0.501 152 S N 2.700 118.494 115.700 0.158 0.000 2.558 152 S HA 0.573 5.043 4.470 -0.000 0.000 0.277 152 S C 0.432 175.059 174.600 0.045 0.000 1.143 152 S CA 0.086 58.363 58.200 0.129 0.000 0.865 152 S CB 1.488 64.728 63.200 0.067 0.000 1.102 152 S HN 0.717 nan 8.310 nan 0.000 0.454 153 A N 2.943 125.655 122.820 -0.179 0.000 1.969 153 A HA 0.233 4.552 4.320 -0.000 0.000 0.218 153 A C 0.857 178.270 177.584 -0.285 0.000 1.169 153 A CA 0.841 52.513 52.037 -0.608 0.000 0.635 153 A CB -0.295 18.301 19.000 -0.673 0.000 0.810 153 A HN 0.743 nan 8.150 nan 0.000 0.445 154 L N 0.707 121.842 121.223 -0.146 0.000 2.277 154 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 154 L C -0.642 176.197 176.870 -0.052 0.000 1.028 154 L CA -0.061 54.719 54.840 -0.101 0.000 0.835 154 L CB 1.298 43.309 42.059 -0.081 0.000 1.215 154 L HN 0.248 nan 8.230 nan 0.000 0.425 155 T N 2.912 117.443 114.554 -0.038 0.000 2.853 155 T HA 0.496 4.846 4.350 -0.000 0.000 0.311 155 T C -1.316 173.396 174.700 0.020 0.000 1.307 155 T CA -0.316 61.785 62.100 0.002 0.000 1.019 155 T CB 1.866 70.755 68.868 0.035 0.000 1.264 155 T HN 0.136 nan 8.240 nan 0.000 0.497 156 V N 3.362 123.300 119.914 0.040 0.000 2.347 156 V HA 0.730 4.850 4.120 -0.000 0.000 0.280 156 V C 0.710 176.881 176.094 0.129 0.000 1.021 156 V CA -0.814 61.529 62.300 0.071 0.000 0.847 156 V CB 0.826 32.681 31.823 0.054 0.000 0.990 156 V HN 1.108 nan 8.190 nan 0.000 0.444 157 A N 3.730 126.664 122.820 0.190 0.000 2.388 157 A HA 0.542 4.862 4.320 -0.000 0.000 0.257 157 A C -0.366 177.366 177.584 0.248 0.000 1.095 157 A CA -0.078 52.129 52.037 0.284 0.000 0.791 157 A CB 0.018 19.311 19.000 0.488 0.000 1.029 157 A HN 1.006 nan 8.150 nan 0.000 0.489 158 H N 0.544 119.676 119.070 0.103 0.000 2.466 158 H HA 0.540 5.096 4.556 -0.000 0.000 0.338 158 H C 0.603 175.892 175.328 -0.064 0.000 1.091 158 H CA 0.934 56.994 56.048 0.020 0.000 1.207 158 H CB 1.051 30.820 29.762 0.012 0.000 1.466 158 H HN 1.577 nan 8.280 nan 0.000 0.493 159 G N 3.399 111.812 108.800 -0.645 0.000 2.860 159 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.553 159 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.553 159 G C 0.591 175.153 174.900 -0.563 0.000 1.439 159 G CA 0.179 44.974 45.100 -0.507 0.000 0.879 159 G HN 0.768 nan 8.290 nan 0.000 0.545 160 E N -0.038 119.910 120.200 -0.419 0.000 2.338 160 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 160 E C 2.552 178.994 176.600 -0.263 0.000 1.007 160 E CA 0.912 57.050 56.400 -0.437 0.000 0.849 160 E CB 0.010 29.666 29.700 -0.074 0.000 0.774 160 E HN 0.482 nan 8.360 nan 0.000 0.506 161 R N -0.181 120.223 120.500 -0.160 0.000 2.275 161 R HA 0.053 4.393 4.340 -0.000 0.000 0.199 161 R C -0.196 176.247 176.300 0.238 0.000 0.989 161 R CA 0.027 56.129 56.100 0.004 0.000 1.016 161 R CB -0.012 30.098 30.300 -0.318 0.000 0.918 161 R HN 0.090 nan 8.270 nan 0.000 0.473 162 F N 1.812 121.868 119.950 0.177 0.000 2.695 162 F HA -0.202 4.325 4.527 -0.000 0.000 0.305 162 F C -0.801 175.081 175.800 0.137 0.000 1.044 162 F CA 0.151 58.275 58.000 0.208 0.000 1.049 162 F CB -1.310 37.904 39.000 0.357 0.000 1.267 162 F HN 0.040 nan 8.300 nan 0.000 0.828 163 D N 1.217 121.741 120.400 0.206 0.000 2.280 163 D HA 0.320 4.960 4.640 -0.000 0.000 0.243 163 D C 0.677 177.074 176.300 0.162 0.000 1.129 163 D CA 0.018 54.096 54.000 0.129 0.000 0.848 163 D CB 1.318 42.176 40.800 0.097 0.000 1.107 163 D HN 0.324 nan 8.370 nan 0.000 0.471 164 T N -2.104 112.528 114.554 0.131 0.000 2.902 164 T HA 0.501 4.851 4.350 -0.000 0.000 0.280 164 T C 1.323 176.079 174.700 0.093 0.000 0.992 164 T CA -0.257 61.923 62.100 0.134 0.000 1.015 164 T CB 1.640 70.597 68.868 0.149 0.000 1.044 164 T HN 0.522 nan 8.240 nan 0.000 0.520 165 G N 0.012 108.859 108.800 0.079 0.000 2.180 165 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.263 165 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.263 165 G C 0.198 175.118 174.900 0.032 0.000 0.989 165 G CA 0.514 45.648 45.100 0.056 0.000 0.692 165 G HN 1.768 nan 8.290 nan 0.000 0.526 166 V N -3.538 116.389 119.914 0.023 0.000 2.994 166 V HA 0.973 5.093 4.120 -0.000 0.000 0.318 166 V C 0.129 176.191 176.094 -0.053 0.000 1.085 166 V CA -0.089 62.199 62.300 -0.019 0.000 0.998 166 V CB 2.027 33.828 31.823 -0.036 0.000 1.063 166 V HN 0.638 nan 8.190 nan 0.000 0.447 167 T N 0.817 115.321 114.554 -0.083 0.000 2.907 167 T HA 0.417 4.767 4.350 -0.000 0.000 0.292 167 T C -0.831 173.765 174.700 -0.173 0.000 1.043 167 T CA -0.440 61.598 62.100 -0.104 0.000 1.003 167 T CB 1.642 70.492 68.868 -0.030 0.000 1.084 167 T HN 1.106 nan 8.240 nan 0.000 0.483 168 E N 3.555 123.621 120.200 -0.223 0.000 2.046 168 E HA 0.485 4.835 4.350 -0.000 0.000 0.279 168 E C -0.959 175.592 176.600 -0.081 0.000 0.989 168 E CA -0.608 55.668 56.400 -0.206 0.000 0.798 168 E CB 0.625 30.165 29.700 -0.267 0.000 1.086 168 E HN 0.380 nan 8.360 nan 0.000 0.399 169 V N 3.973 123.852 119.914 -0.057 0.000 2.481 169 V HA 0.330 4.449 4.120 -0.000 0.000 0.286 169 V C 0.096 176.181 176.094 -0.014 0.000 1.042 169 V CA -0.435 61.849 62.300 -0.026 0.000 0.928 169 V CB 1.378 33.188 31.823 -0.022 0.000 0.986 169 V HN 0.765 nan 8.190 nan 0.000 0.462 170 S N 3.506 119.203 115.700 -0.004 0.000 2.548 170 S HA 0.866 5.335 4.470 -0.000 0.000 0.286 170 S C -1.154 173.448 174.600 0.003 0.000 1.098 170 S CA -0.730 57.471 58.200 0.002 0.000 0.930 170 S CB 2.034 65.238 63.200 0.007 0.000 1.070 170 S HN 0.429 nan 8.310 nan 0.000 0.480 171 V N 2.270 122.187 119.914 0.005 0.000 2.525 171 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 171 V C 0.002 176.100 176.094 0.006 0.000 1.034 171 V CA -0.420 61.883 62.300 0.005 0.000 0.863 171 V CB 1.645 33.471 31.823 0.005 0.000 0.999 171 V HN 1.163 nan 8.190 nan 0.000 0.423 172 T N 3.109 117.666 114.554 0.005 0.000 2.856 172 T HA 0.682 5.032 4.350 -0.000 0.000 0.283 172 T C -2.748 171.954 174.700 0.005 0.000 1.008 172 T CA -2.349 59.754 62.100 0.006 0.000 0.997 172 T CB 2.369 71.241 68.868 0.006 0.000 0.992 172 T HN 0.479 nan 8.240 nan 0.000 0.454 173 P HA 0.395 nan 4.420 nan 0.000 0.272 173 P C -0.207 177.095 177.300 0.003 0.000 1.223 173 P CA -0.322 62.780 63.100 0.004 0.000 0.784 173 P CB 1.091 32.793 31.700 0.004 0.000 0.923 174 A N 2.560 125.382 122.820 0.003 0.000 3.411 174 A HA 0.748 5.068 4.320 -0.000 0.000 0.197 174 A C 0.183 177.768 177.584 0.002 0.000 1.630 174 A CA 0.091 52.129 52.037 0.002 0.000 1.807 174 A CB -0.426 18.575 19.000 0.002 0.000 1.519 174 A HN 0.597 nan 8.150 nan 0.000 0.502 175 A N -0.096 122.725 122.820 0.002 0.000 2.312 175 A HA 0.551 4.871 4.320 -0.000 0.000 0.328 175 A C 0.005 177.590 177.584 0.001 0.000 1.158 175 A CA -0.284 51.754 52.037 0.001 0.000 0.821 175 A CB 0.161 19.162 19.000 0.001 0.000 1.170 175 A HN 0.664 nan 8.150 nan 0.000 0.490 176 E N 0.778 120.979 120.200 0.001 0.000 2.558 176 E HA 0.276 4.626 4.350 -0.000 0.000 0.255 176 E C 1.226 177.826 176.600 0.001 0.000 0.968 176 E CA 1.198 57.599 56.400 0.001 0.000 0.939 176 E CB -0.031 29.670 29.700 0.001 0.000 0.921 176 E HN 1.529 nan 8.360 nan 0.000 0.477 177 G N 3.925 112.725 108.800 0.001 0.000 2.284 177 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.230 177 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.230 177 G C -0.020 174.880 174.900 -0.000 0.000 1.021 177 G CA 0.216 45.316 45.100 0.000 0.000 0.619 177 G HN 0.603 nan 8.290 nan 0.000 0.510 178 E N 2.475 122.675 120.200 0.000 0.000 2.319 178 E HA 0.398 4.747 4.350 -0.000 0.000 0.268 178 E C -2.191 174.409 176.600 0.000 0.000 1.050 178 E CA -1.681 54.719 56.400 -0.000 0.000 0.878 178 E CB 1.118 30.819 29.700 0.000 0.000 1.066 178 E HN 0.303 nan 8.360 nan 0.000 0.406 179 P HA -0.015 nan 4.420 nan 0.000 0.269 179 P C -0.718 176.582 177.300 0.000 0.000 1.217 179 P CA 0.028 63.127 63.100 -0.001 0.000 0.783 179 P CB 0.513 32.212 31.700 -0.002 0.000 0.898 180 A N 2.041 124.861 122.820 0.000 0.000 2.322 180 A HA 0.243 4.563 4.320 -0.000 0.000 0.269 180 A C 0.139 177.723 177.584 0.001 0.000 1.094 180 A CA -0.459 51.579 52.037 0.001 0.000 0.807 180 A CB -0.058 18.943 19.000 0.002 0.000 1.047 180 A HN 0.474 nan 8.150 nan 0.000 0.487 181 D N 0.885 121.286 120.400 0.002 0.000 2.277 181 D HA 0.414 5.054 4.640 -0.000 0.000 0.249 181 D C -0.785 175.517 176.300 0.003 0.000 1.134 181 D CA 0.306 54.307 54.000 0.003 0.000 0.863 181 D CB 1.550 42.352 40.800 0.004 0.000 1.143 181 D HN 0.129 nan 8.370 nan 0.000 0.458 182 V N 2.913 122.828 119.914 0.002 0.000 2.444 182 V HA 0.165 4.285 4.120 -0.000 0.000 0.294 182 V C -0.078 176.019 176.094 0.004 0.000 1.022 182 V CA -0.812 61.489 62.300 0.002 0.000 0.850 182 V CB 2.154 33.976 31.823 -0.001 0.000 0.992 182 V HN 0.426 nan 8.190 nan 0.000 0.426 183 D N 4.302 124.705 120.400 0.006 0.000 2.414 183 D HA 0.333 4.973 4.640 -0.000 0.000 0.232 183 D C 0.690 176.995 176.300 0.008 0.000 1.070 183 D CA -0.369 53.636 54.000 0.010 0.000 0.839 183 D CB 1.885 42.692 40.800 0.013 0.000 1.079 183 D HN 0.462 nan 8.370 nan 0.000 0.521 184 L N 3.361 124.591 121.223 0.011 0.000 2.675 184 L HA 0.128 4.468 4.340 -0.000 0.000 0.238 184 L C 1.711 178.590 176.870 0.015 0.000 1.155 184 L CA 0.381 55.227 54.840 0.010 0.000 0.881 184 L CB -0.860 41.208 42.059 0.014 0.000 1.008 184 L HN 0.677 nan 8.230 nan 0.000 0.443 185 G N 0.641 109.453 108.800 0.020 0.000 2.550 185 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.277 185 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.277 185 G C 0.854 175.785 174.900 0.051 0.000 1.190 185 G CA 0.315 45.431 45.100 0.027 0.000 0.971 185 G HN 0.306 nan 8.290 nan 0.000 0.559 186 A N -0.257 122.596 122.820 0.055 0.000 2.121 186 A HA 0.437 4.757 4.320 -0.000 0.000 0.218 186 A C 2.658 180.305 177.584 0.105 0.000 1.154 186 A CA 2.521 54.608 52.037 0.083 0.000 0.679 186 A CB -0.641 18.406 19.000 0.078 0.000 0.795 186 A HN 2.254 nan 8.150 nan 0.000 0.458 187 A N -0.362 122.506 122.820 0.079 0.000 2.238 187 A HA 0.158 4.478 4.320 -0.000 0.000 0.208 187 A C 0.488 178.135 177.584 0.105 0.000 1.177 187 A CA -0.159 51.945 52.037 0.111 0.000 0.804 187 A CB -0.147 18.921 19.000 0.112 0.000 0.823 187 A HN 0.367 nan 8.150 nan 0.000 0.482 188 E N -0.079 120.183 120.200 0.104 0.000 2.493 188 E HA 0.252 4.602 4.350 -0.000 0.000 0.255 188 E C 1.202 177.881 176.600 0.133 0.000 0.999 188 E CA 1.103 57.560 56.400 0.094 0.000 0.934 188 E CB 0.281 30.036 29.700 0.091 0.000 0.940 188 E HN 0.662 nan 8.360 nan 0.000 0.473 189 G N 3.213 112.047 108.800 0.056 0.000 2.176 189 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.253 189 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.253 189 G C 0.544 175.357 174.900 -0.146 0.000 0.979 189 G CA 0.613 45.740 45.100 0.046 0.000 0.641 189 G HN 0.596 nan 8.290 nan 0.000 0.530 190 Y N 0.810 120.888 120.300 -0.369 0.000 2.439 190 Y HA 0.709 5.259 4.550 -0.000 0.000 0.281 190 Y C 1.723 177.499 175.900 -0.207 0.000 1.145 190 Y CA 1.466 59.289 58.100 -0.462 0.000 1.252 190 Y CB -0.141 38.007 38.460 -0.520 0.000 1.271 190 Y HN 0.632 nan 8.280 nan 0.000 0.516 191 A N 1.478 124.178 122.820 -0.199 0.000 2.293 191 A HA 0.363 4.683 4.320 -0.000 0.000 0.302 191 A C -0.105 177.393 177.584 -0.142 0.000 1.119 191 A CA -0.603 51.301 52.037 -0.221 0.000 0.823 191 A CB 0.251 19.228 19.000 -0.039 0.000 1.097 191 A HN 0.501 nan 8.150 nan 0.000 0.491 192 E N -0.818 119.301 120.200 -0.136 0.000 2.376 192 E HA 0.383 4.733 4.350 -0.000 0.000 0.254 192 E C -1.330 175.235 176.600 -0.058 0.000 1.213 192 E CA -0.436 55.910 56.400 -0.091 0.000 0.945 192 E CB 1.040 30.688 29.700 -0.087 0.000 1.057 192 E HN 0.410 nan 8.360 nan 0.000 0.479 193 L N 1.596 122.793 121.223 -0.044 0.000 2.441 193 L HA 0.265 4.605 4.340 -0.000 0.000 0.270 193 L C -1.413 175.441 176.870 -0.027 0.000 0.973 193 L CA -0.370 54.451 54.840 -0.031 0.000 0.842 193 L CB 1.678 43.724 42.059 -0.022 0.000 1.239 193 L HN 0.255 nan 8.230 nan 0.000 0.406 194 D N 3.348 123.733 120.400 -0.026 0.000 2.479 194 D HA 0.205 4.845 4.640 -0.000 0.000 0.247 194 D C -0.825 175.465 176.300 -0.017 0.000 1.119 194 D CA -0.150 53.837 54.000 -0.022 0.000 0.922 194 D CB 0.415 41.201 40.800 -0.023 0.000 1.014 194 D HN 0.503 nan 8.370 nan 0.000 0.510 195 N N 2.651 121.343 118.700 -0.013 0.000 2.469 195 N HA 0.186 4.926 4.740 -0.000 0.000 0.239 195 N C 0.119 175.624 175.510 -0.008 0.000 1.053 195 N CA -0.106 52.938 53.050 -0.010 0.000 0.937 195 N CB 0.393 38.876 38.487 -0.008 0.000 1.163 195 N HN 0.237 nan 8.380 nan 0.000 0.509 196 R N 1.634 122.130 120.500 -0.007 0.000 2.577 196 R HA 0.411 4.750 4.340 -0.000 0.000 0.344 196 R C -0.097 176.201 176.300 -0.003 0.000 1.037 196 R CA -0.329 55.767 56.100 -0.005 0.000 1.102 196 R CB 0.649 30.945 30.300 -0.006 0.000 1.313 196 R HN 0.496 nan 8.270 nan 0.000 0.561 197 A N 0.368 123.187 122.820 -0.002 0.000 2.287 197 A HA 0.585 4.905 4.320 -0.000 0.000 0.273 197 A C -0.105 177.479 177.584 -0.000 0.000 1.091 197 A CA -0.306 51.731 52.037 -0.000 0.000 0.817 197 A CB 0.744 19.744 19.000 0.001 0.000 1.069 197 A HN 0.037 nan 8.150 nan 0.000 0.492 198 V N -0.353 119.562 119.914 0.001 0.000 3.001 198 V HA 0.526 4.645 4.120 -0.000 0.000 0.314 198 V C 0.033 176.128 176.094 0.002 0.000 1.099 198 V CA -0.710 61.591 62.300 0.001 0.000 0.989 198 V CB 1.993 33.816 31.823 0.001 0.000 1.040 198 V HN 0.855 nan 8.190 nan 0.000 0.434 199 T N 2.434 116.989 114.554 0.001 0.000 2.728 199 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 199 T C 0.512 175.213 174.700 0.002 0.000 0.940 199 T CA 0.028 62.129 62.100 0.002 0.000 1.013 199 T CB 0.964 69.833 68.868 0.002 0.000 0.912 199 T HN 1.052 nan 8.240 nan 0.000 0.484 200 G N 1.803 110.605 108.800 0.002 0.000 2.580 200 G HA2 0.588 4.547 3.960 -0.000 0.000 0.278 200 G HA3 0.588 4.547 3.960 -0.000 0.000 0.278 200 G C 0.106 175.008 174.900 0.002 0.000 1.212 200 G CA -0.843 44.258 45.100 0.002 0.000 0.939 200 G HN 0.956 nan 8.290 nan 0.000 0.513 201 A N -0.472 122.349 122.820 0.002 0.000 2.466 201 A HA 0.567 4.887 4.320 -0.000 0.000 0.238 201 A C 1.065 178.650 177.584 0.002 0.000 1.074 201 A CA 0.406 52.444 52.037 0.002 0.000 0.774 201 A CB -0.170 18.831 19.000 0.001 0.000 1.015 201 A HN 1.910 nan 8.150 nan 0.000 0.498 202 A N 0.591 123.412 122.820 0.002 0.000 2.511 202 A HA 0.482 4.802 4.320 -0.000 0.000 0.242 202 A C 1.623 179.208 177.584 0.002 0.000 1.069 202 A CA 0.811 52.850 52.037 0.002 0.000 0.763 202 A CB -0.760 18.241 19.000 0.002 0.000 1.001 202 A HN 2.764 nan 8.150 nan 0.000 0.498 203 G N 1.290 110.091 108.800 0.002 0.000 2.199 203 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.254 203 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.254 203 G C 0.646 175.547 174.900 0.002 0.000 0.982 203 G CA 0.940 46.042 45.100 0.002 0.000 0.632 203 G HN 2.149 nan 8.290 nan 0.000 0.529 204 S N 0.215 115.917 115.700 0.002 0.000 2.645 204 S HA 0.783 5.253 4.470 -0.000 0.000 0.266 204 S C 0.780 175.381 174.600 0.003 0.000 1.258 204 S CA 0.480 58.682 58.200 0.002 0.000 0.990 204 S CB 1.767 64.968 63.200 0.002 0.000 0.967 204 S HN 1.925 nan 8.310 nan 0.000 0.556 205 A N 1.607 124.428 122.820 0.003 0.000 2.445 205 A HA 0.277 4.597 4.320 -0.000 0.000 0.242 205 A C 0.521 178.108 177.584 0.004 0.000 1.075 205 A CA -0.451 51.588 52.037 0.003 0.000 0.777 205 A CB -0.377 18.625 19.000 0.003 0.000 1.013 205 A HN 0.836 nan 8.150 nan 0.000 0.493 206 N N 1.515 120.218 118.700 0.005 0.000 2.469 206 N HA 0.123 4.863 4.740 -0.000 0.000 0.239 206 N C 0.483 175.997 175.510 0.007 0.000 1.053 206 N CA 0.506 53.560 53.050 0.006 0.000 0.937 206 N CB 0.667 39.157 38.487 0.006 0.000 1.163 206 N HN 0.650 nan 8.380 nan 0.000 0.509 207 T N 1.486 116.044 114.554 0.007 0.000 3.243 207 T HA 0.162 4.512 4.350 -0.000 0.000 0.264 207 T C 0.677 175.384 174.700 0.011 0.000 1.000 207 T CA -0.576 61.529 62.100 0.009 0.000 0.901 207 T CB -0.347 68.525 68.868 0.007 0.000 1.083 207 T HN 0.232 nan 8.240 nan 0.000 0.559 208 L N 2.199 123.429 121.223 0.012 0.000 2.483 208 L HA 0.489 4.829 4.340 -0.000 0.000 0.276 208 L C -0.591 176.291 176.870 0.020 0.000 1.213 208 L CA 0.285 55.133 54.840 0.014 0.000 0.843 208 L CB 0.776 42.842 42.059 0.013 0.000 1.107 208 L HN 0.203 nan 8.230 nan 0.000 0.487 209 V N 6.296 126.223 119.914 0.021 0.000 2.668 209 V HA 0.437 4.556 4.120 -0.000 0.000 0.304 209 V C -0.427 175.681 176.094 0.024 0.000 1.071 209 V CA -0.480 61.839 62.300 0.030 0.000 0.894 209 V CB 1.838 33.679 31.823 0.030 0.000 1.008 209 V HN 0.582 nan 8.190 nan 0.000 0.425 210 I N 4.174 124.764 120.570 0.033 0.000 2.382 210 I HA 0.604 4.774 4.170 -0.000 0.000 0.286 210 I C -0.784 175.332 176.117 -0.002 0.000 1.002 210 I CA -0.106 61.201 61.300 0.012 0.000 1.135 210 I CB 1.810 39.819 38.000 0.014 0.000 1.288 210 I HN 0.667 nan 8.210 nan 0.000 0.448 211 D N 5.092 125.472 120.400 -0.034 0.000 2.610 211 D HA 0.463 5.103 4.640 -0.000 0.000 0.271 211 D C -1.013 175.230 176.300 -0.095 0.000 1.174 211 D CA -0.776 53.175 54.000 -0.083 0.000 0.949 211 D CB 2.154 42.925 40.800 -0.048 0.000 1.430 211 D HN 0.417 nan 8.370 nan 0.000 0.467 212 R N 1.405 121.827 120.500 -0.130 0.000 2.467 212 R HA 0.480 4.820 4.340 -0.000 0.000 0.299 212 R C -2.605 173.645 176.300 -0.082 0.000 1.120 212 R CA -1.732 54.308 56.100 -0.100 0.000 0.940 212 R CB 1.407 31.640 30.300 -0.111 0.000 1.161 212 R HN 0.228 nan 8.270 nan 0.000 0.506 213 P HA -0.160 nan 4.420 nan 0.000 0.261 213 P C -0.141 177.139 177.300 -0.034 0.000 1.173 213 P CA 0.021 63.097 63.100 -0.040 0.000 0.760 213 P CB 0.643 32.325 31.700 -0.031 0.000 0.783 214 V N 4.417 124.317 119.914 -0.023 0.000 2.814 214 V HA 0.137 4.257 4.120 -0.000 0.000 0.307 214 V C 1.559 177.651 176.094 -0.003 0.000 1.089 214 V CA 1.930 64.226 62.300 -0.007 0.000 1.212 214 V CB -0.437 31.391 31.823 0.008 0.000 0.912 214 V HN 1.001 nan 8.190 nan 0.000 0.497 215 G N 3.703 112.506 108.800 0.006 0.000 2.189 215 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 215 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 215 G C 0.425 175.322 174.900 -0.005 0.000 0.975 215 G CA 1.178 46.282 45.100 0.007 0.000 0.644 215 G HN 1.819 nan 8.290 nan 0.000 0.537 216 T N -2.982 111.563 114.554 -0.016 0.000 2.938 216 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 216 T C 0.177 174.854 174.700 -0.037 0.000 1.028 216 T CA -0.033 62.049 62.100 -0.030 0.000 1.005 216 T CB 2.010 70.857 68.868 -0.036 0.000 1.157 216 T HN 0.152 nan 8.240 nan 0.000 0.550 217 N N 0.036 118.700 118.700 -0.061 0.000 2.467 217 N HA 0.279 5.019 4.740 -0.000 0.000 0.278 217 N C -1.099 174.357 175.510 -0.090 0.000 1.306 217 N CA -0.335 52.668 53.050 -0.078 0.000 0.905 217 N CB 0.297 38.697 38.487 -0.145 0.000 1.236 217 N HN 0.665 nan 8.380 nan 0.000 0.509 218 T N 1.276 115.791 114.554 -0.066 0.000 2.770 218 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 218 T C -0.035 174.634 174.700 -0.050 0.000 0.988 218 T CA -0.466 61.598 62.100 -0.061 0.000 0.957 218 T CB 0.935 69.771 68.868 -0.053 0.000 0.930 218 T HN -0.008 nan 8.240 nan 0.000 0.443 219 I N 3.668 124.211 120.570 -0.045 0.000 2.322 219 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 219 I C 0.704 176.800 176.117 -0.035 0.000 1.060 219 I CA -0.623 60.653 61.300 -0.041 0.000 1.309 219 I CB 0.125 38.105 38.000 -0.032 0.000 1.415 219 I HN 0.644 nan 8.210 nan 0.000 0.492 220 A N 7.327 130.126 122.820 -0.035 0.000 2.305 220 A HA 0.701 5.021 4.320 -0.000 0.000 0.322 220 A C -0.433 177.140 177.584 -0.019 0.000 1.187 220 A CA -0.453 51.569 52.037 -0.025 0.000 0.825 220 A CB 1.033 20.018 19.000 -0.025 0.000 1.164 220 A HN 0.430 nan 8.150 nan 0.000 0.498 221 V N 2.890 122.796 119.914 -0.013 0.000 2.444 221 V HA 0.672 4.792 4.120 -0.000 0.000 0.294 221 V C 0.216 176.308 176.094 -0.003 0.000 1.022 221 V CA -0.082 62.214 62.300 -0.006 0.000 0.850 221 V CB 1.284 33.104 31.823 -0.005 0.000 0.992 221 V HN 1.154 nan 8.190 nan 0.000 0.426 222 T N 0.816 115.370 114.554 0.001 0.000 2.887 222 T HA 0.977 5.327 4.350 -0.000 0.000 0.292 222 T C 0.089 174.792 174.700 0.005 0.000 1.087 222 T CA -0.177 61.924 62.100 0.001 0.000 1.009 222 T CB 1.987 70.856 68.868 0.001 0.000 1.203 222 T HN 1.906 nan 8.240 nan 0.000 0.518 223 G N 0.175 108.978 108.800 0.004 0.000 2.549 223 G HA2 0.279 4.239 3.960 -0.000 0.000 0.404 223 G HA3 0.279 4.239 3.960 -0.000 0.000 0.404 223 G C -0.539 174.363 174.900 0.005 0.000 1.292 223 G CA -0.249 44.854 45.100 0.006 0.000 0.935 223 G HN 1.455 nan 8.290 nan 0.000 0.512 224 S N -1.157 114.546 115.700 0.005 0.000 2.500 224 S HA 0.695 5.165 4.470 -0.000 0.000 0.301 224 S C -0.916 173.687 174.600 0.005 0.000 1.092 224 S CA -0.444 57.759 58.200 0.004 0.000 1.030 224 S CB 1.350 64.552 63.200 0.003 0.000 1.031 224 S HN 1.608 nan 8.310 nan 0.000 0.483 225 L N 6.613 127.838 121.223 0.005 0.000 2.325 225 L HA 0.658 4.998 4.340 -0.000 0.000 0.281 225 L C -2.605 174.268 176.870 0.004 0.000 1.004 225 L CA -1.908 52.935 54.840 0.005 0.000 0.823 225 L CB 1.450 43.512 42.059 0.005 0.000 1.236 225 L HN 0.410 nan 8.230 nan 0.000 0.415 226 P HA 0.066 nan 4.420 nan 0.000 0.266 226 P C -0.001 177.301 177.300 0.003 0.000 1.195 226 P CA 0.228 63.330 63.100 0.004 0.000 0.768 226 P CB 0.793 32.495 31.700 0.004 0.000 0.838 227 A N 3.709 126.531 122.820 0.003 0.000 1.972 227 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 227 A C 1.536 179.122 177.584 0.003 0.000 1.169 227 A CA 1.903 53.941 52.037 0.003 0.000 0.635 227 A CB -0.972 18.029 19.000 0.002 0.000 0.810 227 A HN 0.668 nan 8.150 nan 0.000 0.446 228 D N -0.333 120.069 120.400 0.003 0.000 2.328 228 D HA 0.335 4.975 4.640 -0.000 0.000 0.221 228 D C 0.547 176.849 176.300 0.004 0.000 1.072 228 D CA 0.552 54.554 54.000 0.003 0.000 0.850 228 D CB -0.199 40.603 40.800 0.003 0.000 0.922 228 D HN 0.330 nan 8.370 nan 0.000 0.516 229 A N 0.497 123.319 122.820 0.004 0.000 2.322 229 A HA 0.612 4.932 4.320 -0.000 0.000 0.269 229 A C 0.538 178.125 177.584 0.005 0.000 1.094 229 A CA -0.183 51.857 52.037 0.005 0.000 0.807 229 A CB 0.807 19.811 19.000 0.005 0.000 1.047 229 A HN 0.330 nan 8.150 nan 0.000 0.487 230 A N 2.106 124.930 122.820 0.006 0.000 2.296 230 A HA 0.628 4.948 4.320 -0.000 0.000 0.264 230 A C -2.242 175.346 177.584 0.007 0.000 1.097 230 A CA -1.227 50.814 52.037 0.006 0.000 0.811 230 A CB -0.771 18.233 19.000 0.007 0.000 1.072 230 A HN 0.654 nan 8.150 nan 0.000 0.495 231 P HA 0.270 nan 4.420 nan 0.000 0.269 231 P C -0.932 176.373 177.300 0.009 0.000 1.217 231 P CA -0.105 63.000 63.100 0.008 0.000 0.783 231 P CB 0.460 32.165 31.700 0.009 0.000 0.898 232 V N 2.408 122.328 119.914 0.009 0.000 2.435 232 V HA 0.386 4.505 4.120 -0.000 0.000 0.290 232 V C 0.028 176.127 176.094 0.009 0.000 1.030 232 V CA -0.053 62.253 62.300 0.010 0.000 0.881 232 V CB 1.642 33.471 31.823 0.011 0.000 0.983 232 V HN 0.523 nan 8.190 nan 0.000 0.445 233 T N 4.329 118.889 114.554 0.010 0.000 2.864 233 T HA 0.741 5.091 4.350 -0.000 0.000 0.299 233 T C -0.269 174.434 174.700 0.005 0.000 1.011 233 T CA -0.310 61.794 62.100 0.007 0.000 0.975 233 T CB 1.419 70.294 68.868 0.012 0.000 0.962 233 T HN 0.905 nan 8.240 nan 0.000 0.448 234 A N 3.496 126.316 122.820 -0.001 0.000 2.401 234 A HA 0.852 5.172 4.320 -0.000 0.000 0.310 234 A C -0.794 176.775 177.584 -0.025 0.000 1.075 234 A CA -0.790 51.250 52.037 0.005 0.000 0.746 234 A CB 1.095 20.112 19.000 0.028 0.000 1.277 234 A HN 0.821 nan 8.150 nan 0.000 0.425 235 L N 2.846 124.057 121.223 -0.020 0.000 2.265 235 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 235 L C 0.024 176.876 176.870 -0.030 0.000 1.058 235 L CA -0.526 54.277 54.840 -0.062 0.000 0.809 235 L CB 0.736 42.760 42.059 -0.059 0.000 1.179 235 L HN 0.647 nan 8.230 nan 0.000 0.429 236 R N 1.248 121.710 120.500 -0.063 0.000 2.750 236 R HA 0.459 4.798 4.340 -0.000 0.000 0.281 236 R C -0.305 175.949 176.300 -0.077 0.000 0.972 236 R CA -0.679 55.373 56.100 -0.080 0.000 0.912 236 R CB 2.249 32.500 30.300 -0.081 0.000 1.187 236 R HN 0.648 nan 8.270 nan 0.000 0.464 237 T N -1.659 112.838 114.554 -0.096 0.000 2.904 237 T HA 0.463 4.813 4.350 -0.000 0.000 0.290 237 T C 0.753 175.441 174.700 -0.020 0.000 1.018 237 T CA -0.655 61.414 62.100 -0.051 0.000 1.075 237 T CB 1.017 69.851 68.868 -0.057 0.000 0.986 237 T HN 0.369 nan 8.240 nan 0.000 0.523 238 V N -0.868 119.062 119.914 0.027 0.000 3.166 238 V HA 0.709 4.829 4.120 -0.000 0.000 0.317 238 V C -0.604 175.552 176.094 0.103 0.000 1.136 238 V CA -1.209 61.141 62.300 0.084 0.000 1.035 238 V CB 1.622 33.540 31.823 0.158 0.000 1.110 238 V HN 0.955 nan 8.190 nan 0.000 0.450 239 D N 1.013 121.502 120.400 0.148 0.000 2.249 239 D HA 0.340 4.980 4.640 -0.000 0.000 0.246 239 D C -0.287 176.128 176.300 0.192 0.000 1.114 239 D CA 0.428 54.504 54.000 0.128 0.000 0.854 239 D CB 0.495 41.340 40.800 0.074 0.000 1.132 239 D HN 0.780 nan 8.370 nan 0.000 0.461 240 E N 2.820 123.101 120.200 0.137 0.000 2.484 240 E HA -0.129 4.221 4.350 -0.000 0.000 0.181 240 E C -1.924 174.726 176.600 0.083 0.000 1.458 240 E CA 0.065 56.541 56.400 0.126 0.000 0.667 240 E CB -1.025 28.771 29.700 0.160 0.000 1.125 240 E HN 0.512 nan 8.360 nan 0.000 0.384 241 P HA -0.267 nan 4.420 nan 0.000 0.218 241 P C 1.372 178.650 177.300 -0.036 0.000 1.152 241 P CA 2.473 65.575 63.100 0.004 0.000 0.857 241 P CB 0.188 31.910 31.700 0.038 0.000 0.787 242 A N -0.184 122.633 122.820 -0.006 0.000 1.873 242 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 242 A C 2.342 179.908 177.584 -0.030 0.000 1.186 242 A CA 2.044 54.072 52.037 -0.014 0.000 0.616 242 A CB -1.595 17.413 19.000 0.013 0.000 0.823 242 A HN 0.205 nan 8.150 nan 0.000 0.442 243 A N -0.681 122.135 122.820 -0.007 0.000 2.019 243 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 243 A C 2.088 179.516 177.584 -0.260 0.000 1.164 243 A CA 1.714 53.759 52.037 0.013 0.000 0.644 243 A CB -0.498 18.638 19.000 0.226 0.000 0.805 243 A HN 0.714 nan 8.150 nan 0.000 0.449 244 L N -0.653 120.245 121.223 -0.542 0.000 2.109 244 L HA 0.112 4.452 4.340 -0.000 0.000 0.207 244 L C 2.539 179.275 176.870 -0.223 0.000 1.086 244 L CA 1.903 56.296 54.840 -0.745 0.000 0.760 244 L CB -0.747 40.941 42.059 -0.620 0.000 0.910 244 L HN 0.291 nan 8.230 nan 0.000 0.437 245 A N -0.357 122.390 122.820 -0.122 0.000 1.898 245 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 245 A C 2.331 179.933 177.584 0.029 0.000 1.181 245 A CA 1.396 53.413 52.037 -0.033 0.000 0.620 245 A CB -1.555 17.419 19.000 -0.045 0.000 0.819 245 A HN 0.499 nan 8.150 nan 0.000 0.442 246 G N -1.181 107.634 108.800 0.025 0.000 2.418 246 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.217 246 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.217 246 G C 1.491 176.467 174.900 0.126 0.000 1.158 246 G CA 1.505 46.658 45.100 0.089 0.000 0.771 246 G HN 0.731 nan 8.290 nan 0.000 0.545 247 H N 0.635 119.698 119.070 -0.013 0.000 2.267 247 H HA 0.044 4.600 4.556 -0.000 0.000 0.297 247 H C 2.558 177.896 175.328 0.017 0.000 1.080 247 H CA 1.650 57.700 56.048 0.003 0.000 1.278 247 H CB -0.385 29.353 29.762 -0.040 0.000 1.365 247 H HN 0.238 nan 8.280 nan 0.000 0.489 248 L N -0.956 120.283 121.223 0.026 0.000 2.187 248 L HA -0.168 4.171 4.340 -0.000 0.000 0.213 248 L C 2.124 179.014 176.870 0.033 0.000 1.100 248 L CA 1.071 55.909 54.840 -0.004 0.000 0.765 248 L CB -0.417 41.674 42.059 0.054 0.000 0.904 248 L HN 0.298 nan 8.230 nan 0.000 0.437 249 F N 0.619 120.521 119.950 -0.081 0.000 2.270 249 F HA -0.109 4.418 4.527 -0.000 0.000 0.295 249 F C 2.561 178.313 175.800 -0.080 0.000 1.087 249 F CA 1.133 59.094 58.000 -0.065 0.000 1.365 249 F CB -0.121 38.855 39.000 -0.042 0.000 1.056 249 F HN 0.013 nan 8.300 nan 0.000 0.506 250 E N 0.531 120.681 120.200 -0.084 0.000 2.265 250 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 250 E C 1.651 178.110 176.600 -0.234 0.000 0.996 250 E CA 1.293 57.586 56.400 -0.178 0.000 0.832 250 E CB -0.032 29.612 29.700 -0.094 0.000 0.756 250 E HN 0.624 nan 8.360 nan 0.000 0.491 251 E N -0.239 119.814 120.200 -0.244 0.000 2.102 251 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 251 E C 2.080 178.563 176.600 -0.195 0.000 0.971 251 E CA 0.554 56.824 56.400 -0.216 0.000 0.821 251 E CB -0.047 29.517 29.700 -0.228 0.000 0.777 251 E HN 0.220 nan 8.360 nan 0.000 0.460 252 A N 1.758 124.452 122.820 -0.210 0.000 1.908 252 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 252 A C 2.223 179.644 177.584 -0.271 0.000 1.181 252 A CA 1.176 53.092 52.037 -0.202 0.000 0.627 252 A CB -0.763 18.135 19.000 -0.171 0.000 0.818 252 A HN 0.125 nan 8.150 nan 0.000 0.445 253 L N -0.586 120.383 121.223 -0.422 0.000 2.012 253 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 253 L C 2.752 179.497 176.870 -0.209 0.000 1.073 253 L CA 1.498 56.118 54.840 -0.368 0.000 0.748 253 L CB -0.619 41.179 42.059 -0.436 0.000 0.891 253 L HN 0.382 nan 8.230 nan 0.000 0.431 254 E N -0.470 119.623 120.200 -0.179 0.000 2.058 254 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 254 E C 2.266 178.807 176.600 -0.099 0.000 0.997 254 E CA 1.580 57.908 56.400 -0.120 0.000 0.801 254 E CB -0.504 29.132 29.700 -0.106 0.000 0.746 254 E HN 0.293 nan 8.360 nan 0.000 0.450 255 S N 0.661 116.299 115.700 -0.104 0.000 2.493 255 S HA -0.088 4.381 4.470 -0.000 0.000 0.243 255 S C 0.939 175.496 174.600 -0.071 0.000 0.991 255 S CA 0.547 58.700 58.200 -0.078 0.000 0.957 255 S CB -0.099 63.056 63.200 -0.075 0.000 0.756 255 S HN 0.152 nan 8.310 nan 0.000 0.521 256 N N 0.330 118.977 118.700 -0.087 0.000 2.416 256 N HA 0.216 4.956 4.740 -0.000 0.000 0.267 256 N C 0.746 176.218 175.510 -0.063 0.000 1.294 256 N CA 0.553 53.561 53.050 -0.071 0.000 0.891 256 N CB 0.746 39.185 38.487 -0.080 0.000 1.238 256 N HN 0.414 nan 8.380 nan 0.000 0.508 257 G N 0.357 109.121 108.800 -0.060 0.000 2.168 257 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.257 257 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.257 257 G C -0.042 174.826 174.900 -0.053 0.000 0.997 257 G CA 0.292 45.363 45.100 -0.049 0.000 0.708 257 G HN 0.214 nan 8.290 nan 0.000 0.520 258 V N 1.430 121.300 119.914 -0.074 0.000 2.347 258 V HA 0.502 4.621 4.120 -0.000 0.000 0.280 258 V C 0.630 176.678 176.094 -0.077 0.000 1.021 258 V CA -0.180 62.076 62.300 -0.074 0.000 0.847 258 V CB 1.519 33.283 31.823 -0.097 0.000 0.990 258 V HN 0.290 nan 8.190 nan 0.000 0.444 259 T N 4.780 119.301 114.554 -0.055 0.000 2.749 259 T HA 0.360 4.710 4.350 -0.000 0.000 0.295 259 T C 0.041 174.712 174.700 -0.047 0.000 0.936 259 T CA -0.231 61.840 62.100 -0.050 0.000 1.060 259 T CB 1.183 70.030 68.868 -0.034 0.000 0.904 259 T HN 0.354 nan 8.240 nan 0.000 0.500 260 V N 5.923 125.804 119.914 -0.056 0.000 2.288 260 V HA 0.179 4.299 4.120 -0.000 0.000 0.266 260 V C 1.371 177.441 176.094 -0.039 0.000 1.048 260 V CA -0.676 61.594 62.300 -0.050 0.000 0.842 260 V CB 0.763 32.545 31.823 -0.069 0.000 1.064 260 V HN 0.759 nan 8.190 nan 0.000 0.472 261 K N 3.149 123.533 120.400 -0.027 0.000 1.991 261 K HA -0.050 4.270 4.320 -0.000 0.000 0.212 261 K C 1.411 177.996 176.600 -0.023 0.000 1.049 261 K CA 1.366 57.641 56.287 -0.020 0.000 0.932 261 K CB -0.185 32.310 32.500 -0.009 0.000 0.717 261 K HN 0.728 nan 8.250 nan 0.000 0.441 262 G N 1.234 110.017 108.800 -0.029 0.000 2.516 262 G HA2 0.048 4.007 3.960 -0.000 0.000 0.276 262 G HA3 0.048 4.007 3.960 -0.000 0.000 0.276 262 G C -0.144 174.716 174.900 -0.066 0.000 1.390 262 G CA -0.452 44.623 45.100 -0.042 0.000 1.050 262 G HN 0.096 nan 8.290 nan 0.000 0.519 263 D N -1.483 118.864 120.400 -0.089 0.000 2.383 263 D HA 0.371 5.011 4.640 -0.000 0.000 0.248 263 D C -0.202 175.993 176.300 -0.176 0.000 1.170 263 D CA 0.058 53.997 54.000 -0.101 0.000 0.977 263 D CB 1.829 42.580 40.800 -0.082 0.000 1.120 263 D HN -0.030 nan 8.370 nan 0.000 0.481 264 V N 0.485 120.329 119.914 -0.117 0.000 2.384 264 V HA 0.695 4.815 4.120 -0.000 0.000 0.287 264 V C 0.756 176.787 176.094 -0.104 0.000 1.020 264 V CA -0.296 61.931 62.300 -0.121 0.000 0.850 264 V CB 1.289 33.116 31.823 0.006 0.000 0.987 264 V HN 0.698 nan 8.190 nan 0.000 0.436 265 G N 3.768 112.458 108.800 -0.184 0.000 2.782 265 G HA2 0.700 4.660 3.960 -0.000 0.000 0.304 265 G HA3 0.700 4.660 3.960 -0.000 0.000 0.304 265 G C -1.663 173.291 174.900 0.090 0.000 1.315 265 G CA -0.855 44.223 45.100 -0.036 0.000 0.791 265 G HN 0.526 nan 8.290 nan 0.000 0.519 266 L N 0.318 121.648 121.223 0.179 0.000 2.309 266 L HA 0.776 5.116 4.340 -0.000 0.000 0.282 266 L C 0.426 177.447 176.870 0.251 0.000 1.036 266 L CA -0.461 54.494 54.840 0.191 0.000 0.806 266 L CB 1.785 43.916 42.059 0.120 0.000 1.220 266 L HN 0.932 nan 8.230 nan 0.000 0.429 267 G N 1.205 110.116 108.800 0.186 0.000 2.503 267 G HA2 0.451 4.411 3.960 -0.000 0.000 0.305 267 G HA3 0.451 4.411 3.960 -0.000 0.000 0.305 267 G C -0.937 174.015 174.900 0.087 0.000 1.575 267 G CA -0.398 44.724 45.100 0.036 0.000 0.890 267 G HN 0.773 nan 8.290 nan 0.000 0.612 268 G N -0.353 108.443 108.800 -0.006 0.000 2.507 268 G HA2 0.575 4.535 3.960 -0.000 0.000 0.271 268 G HA3 0.575 4.535 3.960 -0.000 0.000 0.271 268 G C 0.422 175.152 174.900 -0.283 0.000 1.189 268 G CA -0.410 44.656 45.100 -0.057 0.000 0.859 268 G HN 1.137 nan 8.290 nan 0.000 0.542 269 V N 2.686 122.296 119.914 -0.507 0.000 2.720 269 V HA -0.027 4.093 4.120 -0.000 0.000 0.307 269 V C -0.771 174.769 176.094 -0.923 0.000 1.071 269 V CA -0.288 61.339 62.300 -1.122 0.000 1.199 269 V CB 1.224 32.578 31.823 -0.782 0.000 0.900 269 V HN 0.659 nan 8.190 nan 0.000 0.494 270 P HA -0.248 nan 4.420 nan 0.000 0.220 270 P C 1.226 178.237 177.300 -0.483 0.000 1.142 270 P CA 1.784 64.367 63.100 -0.861 0.000 0.801 270 P CB 0.027 31.006 31.700 -1.202 0.000 0.764 271 A N 0.022 122.588 122.820 -0.424 0.000 2.617 271 A HA -0.343 3.977 4.320 -0.000 0.000 0.236 271 A C 1.700 179.257 177.584 -0.046 0.000 0.514 271 A CA 1.987 53.923 52.037 -0.169 0.000 1.126 271 A CB -2.592 16.329 19.000 -0.133 0.000 1.393 271 A HN 0.458 nan 8.150 nan 0.000 0.693 272 D N -1.374 119.004 120.400 -0.036 0.000 2.392 272 D HA -0.038 4.602 4.640 -0.000 0.000 0.228 272 D C 0.127 176.566 176.300 0.232 0.000 1.003 272 D CA 0.419 54.464 54.000 0.076 0.000 0.917 272 D CB -0.530 40.312 40.800 0.070 0.000 0.890 272 D HN 0.631 nan 8.370 nan 0.000 0.532 273 W N 2.733 123.995 121.300 -0.063 0.000 2.430 273 W HA 0.232 4.892 4.660 -0.000 0.000 0.380 273 W C 1.304 177.796 176.519 -0.046 0.000 1.045 273 W CA -1.153 56.156 57.345 -0.060 0.000 1.547 273 W CB 0.324 29.727 29.460 -0.096 0.000 1.554 273 W HN -0.060 nan 8.180 nan 0.000 0.378 274 Q N 1.052 120.933 119.800 0.135 0.000 2.028 274 Q HA -0.247 4.093 4.340 -0.000 0.000 0.213 274 Q C 0.006 176.041 176.000 0.058 0.000 1.017 274 Q CA 1.711 57.554 55.803 0.067 0.000 0.875 274 Q CB -0.264 28.490 28.738 0.026 0.000 0.962 274 Q HN 0.428 nan 8.270 nan 0.000 0.413 275 D N -1.176 119.242 120.400 0.030 0.000 2.479 275 D HA 0.483 5.123 4.640 -0.000 0.000 0.246 275 D C -1.471 174.822 176.300 -0.012 0.000 1.336 275 D CA -0.040 53.971 54.000 0.018 0.000 0.967 275 D CB 0.994 41.791 40.800 -0.005 0.000 1.275 275 D HN 0.266 nan 8.370 nan 0.000 0.577 276 A N 3.029 125.881 122.820 0.054 0.000 2.346 276 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 276 A C 0.099 177.681 177.584 -0.004 0.000 1.089 276 A CA -0.320 51.742 52.037 0.041 0.000 0.797 276 A CB 0.671 19.831 19.000 0.265 0.000 1.047 276 A HN 0.538 nan 8.150 nan 0.000 0.494 277 E N 0.476 120.659 120.200 -0.028 0.000 2.129 277 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 277 E C -1.353 175.266 176.600 0.033 0.000 0.900 277 E CA -0.355 56.036 56.400 -0.014 0.000 0.755 277 E CB 1.211 30.883 29.700 -0.047 0.000 1.117 277 E HN 0.246 nan 8.360 nan 0.000 0.410 278 V N 7.765 127.697 119.914 0.030 0.000 2.313 278 V HA 0.052 4.172 4.120 -0.000 0.000 0.252 278 V C 1.254 177.371 176.094 0.039 0.000 1.112 278 V CA 0.096 62.419 62.300 0.039 0.000 0.984 278 V CB -0.025 31.808 31.823 0.018 0.000 1.157 278 V HN 0.843 nan 8.190 nan 0.000 0.493 279 L N 3.265 124.524 121.223 0.060 0.000 2.376 279 L HA 0.246 4.586 4.340 -0.000 0.000 0.219 279 L C 1.004 177.915 176.870 0.068 0.000 1.133 279 L CA 0.983 55.861 54.840 0.062 0.000 0.816 279 L CB -0.207 41.901 42.059 0.083 0.000 0.933 279 L HN 0.742 nan 8.230 nan 0.000 0.449 280 A N -0.023 122.838 122.820 0.069 0.000 2.586 280 A HA 0.573 4.893 4.320 -0.000 0.000 0.291 280 A C -1.866 175.746 177.584 0.046 0.000 1.062 280 A CA -0.552 51.527 52.037 0.070 0.000 0.666 280 A CB 1.348 20.417 19.000 0.116 0.000 1.281 280 A HN 0.167 nan 8.150 nan 0.000 0.421 281 D N -1.059 119.371 120.400 0.050 0.000 2.710 281 D HA 0.635 5.275 4.640 -0.000 0.000 0.276 281 D C -0.892 175.467 176.300 0.099 0.000 1.267 281 D CA -0.257 53.765 54.000 0.038 0.000 0.772 281 D CB 0.709 41.507 40.800 -0.002 0.000 1.299 281 D HN 0.967 nan 8.370 nan 0.000 0.421 282 H N -1.695 117.351 119.070 -0.040 0.000 3.046 282 H HA 0.737 5.293 4.556 -0.000 0.000 0.363 282 H C -1.605 173.697 175.328 -0.043 0.000 1.203 282 H CA -0.303 55.727 56.048 -0.030 0.000 1.169 282 H CB 2.375 32.126 29.762 -0.019 0.000 1.851 282 H HN 0.439 nan 8.280 nan 0.000 0.546 283 T N 2.871 116.967 114.554 -0.764 0.000 2.848 283 T HA 0.401 4.751 4.350 -0.000 0.000 0.285 283 T C -0.342 174.002 174.700 -0.592 0.000 0.995 283 T CA -0.568 61.230 62.100 -0.504 0.000 0.970 283 T CB 1.054 69.743 68.868 -0.298 0.000 0.976 283 T HN 0.735 nan 8.240 nan 0.000 0.441 284 S N 2.330 117.871 115.700 -0.266 0.000 2.634 284 S HA 0.745 5.215 4.470 -0.000 0.000 0.261 284 S C 0.798 175.341 174.600 -0.096 0.000 1.271 284 S CA -0.719 57.417 58.200 -0.106 0.000 0.985 284 S CB 0.452 63.689 63.200 0.061 0.000 0.968 284 S HN 0.950 nan 8.310 nan 0.000 0.568 285 A N 0.382 123.177 122.820 -0.043 0.000 2.292 285 A HA 0.394 4.714 4.320 -0.000 0.000 0.265 285 A C 0.349 177.912 177.584 -0.035 0.000 1.133 285 A CA -0.497 51.522 52.037 -0.031 0.000 0.807 285 A CB -0.470 18.530 19.000 0.000 0.000 1.102 285 A HN 0.899 nan 8.150 nan 0.000 0.502 286 E N -1.025 119.160 120.200 -0.025 0.000 2.349 286 E HA 0.209 4.559 4.350 -0.000 0.000 0.262 286 E C 0.831 177.445 176.600 0.023 0.000 1.088 286 E CA -0.572 55.810 56.400 -0.030 0.000 0.899 286 E CB 0.629 30.320 29.700 -0.014 0.000 1.044 286 E HN 0.537 nan 8.360 nan 0.000 0.420 287 L N 2.538 123.779 121.223 0.031 0.000 2.137 287 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 287 L C 2.005 178.932 176.870 0.096 0.000 1.085 287 L CA 2.360 57.254 54.840 0.090 0.000 0.760 287 L CB -0.711 41.389 42.059 0.067 0.000 0.893 287 L HN 0.661 nan 8.230 nan 0.000 0.434 288 S N -2.095 113.655 115.700 0.083 0.000 2.423 288 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 288 S C 1.707 176.369 174.600 0.103 0.000 1.014 288 S CA 0.889 59.150 58.200 0.102 0.000 0.965 288 S CB -0.397 62.865 63.200 0.103 0.000 0.785 288 S HN 0.552 nan 8.310 nan 0.000 0.495 289 E N 1.367 121.620 120.200 0.088 0.000 2.190 289 E HA 0.226 4.576 4.350 -0.000 0.000 0.191 289 E C 2.011 178.681 176.600 0.116 0.000 0.978 289 E CA 0.485 56.943 56.400 0.096 0.000 0.839 289 E CB -0.255 29.488 29.700 0.072 0.000 0.787 289 E HN 0.615 nan 8.360 nan 0.000 0.473 290 I N 0.967 121.590 120.570 0.088 0.000 2.676 290 I HA -0.140 4.030 4.170 -0.000 0.000 0.259 290 I C 2.231 178.445 176.117 0.161 0.000 1.194 290 I CA 0.476 61.811 61.300 0.057 0.000 1.473 290 I CB -0.182 37.800 38.000 -0.029 0.000 1.096 290 I HN -0.004 nan 8.210 nan 0.000 0.443 291 L N 0.112 121.452 121.223 0.195 0.000 2.275 291 L HA -0.142 4.198 4.340 -0.000 0.000 0.215 291 L C 2.528 179.524 176.870 0.209 0.000 1.119 291 L CA 0.668 55.672 54.840 0.273 0.000 0.790 291 L CB -0.356 41.814 42.059 0.185 0.000 0.919 291 L HN 0.108 nan 8.230 nan 0.000 0.443 292 V N 0.860 120.886 119.914 0.186 0.000 2.237 292 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 292 V C -0.116 176.085 176.094 0.179 0.000 1.046 292 V CA 2.194 64.584 62.300 0.150 0.000 1.007 292 V CB -1.704 30.247 31.823 0.213 0.000 0.638 292 V HN 0.377 nan 8.190 nan 0.000 0.445 293 P HA -0.212 nan 4.420 nan 0.000 0.220 293 P C 1.806 179.409 177.300 0.505 0.000 1.148 293 P CA 1.658 65.078 63.100 0.534 0.000 0.803 293 P CB -0.173 32.011 31.700 0.808 0.000 0.782 294 F N 0.366 120.508 119.950 0.320 0.000 2.113 294 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 294 F C 2.059 177.920 175.800 0.102 0.000 1.103 294 F CA 1.153 59.335 58.000 0.304 0.000 1.248 294 F CB -0.140 39.013 39.000 0.255 0.000 0.999 294 F HN -0.264 nan 8.300 nan 0.000 0.475 295 M N 0.120 119.586 119.600 -0.224 0.000 2.429 295 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 295 M C 1.940 178.040 176.300 -0.333 0.000 1.120 295 M CA 0.920 55.951 55.300 -0.447 0.000 1.173 295 M CB -1.028 31.292 32.600 -0.466 0.000 1.343 295 M HN -0.005 nan 8.290 nan 0.000 0.464 296 K N 0.551 120.731 120.400 -0.366 0.000 2.032 296 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 296 K C 1.600 177.816 176.600 -0.640 0.000 1.048 296 K CA 1.528 57.451 56.287 -0.608 0.000 0.927 296 K CB -0.465 31.457 32.500 -0.963 0.000 0.712 296 K HN 0.298 nan 8.250 nan 0.000 0.441 297 F N 0.545 120.433 119.950 -0.103 0.000 2.664 297 F HA 0.228 4.755 4.527 -0.000 0.000 0.303 297 F C 0.627 176.398 175.800 -0.048 0.000 1.092 297 F CA -0.595 57.351 58.000 -0.090 0.000 1.305 297 F CB -0.170 38.768 39.000 -0.104 0.000 1.054 297 F HN -0.194 nan 8.300 nan 0.000 0.565 298 S N 1.581 117.308 115.700 0.046 0.000 3.436 298 S HA -0.322 4.148 4.470 -0.000 0.000 0.393 298 S C 0.137 174.822 174.600 0.141 0.000 0.914 298 S CA 0.203 58.419 58.200 0.027 0.000 1.317 298 S CB -1.749 61.435 63.200 -0.026 0.000 0.920 298 S HN 0.658 nan 8.310 nan 0.000 0.564 299 N N 2.090 120.950 118.700 0.266 0.000 2.439 299 N HA 0.292 5.032 4.740 -0.000 0.000 0.243 299 N C 1.217 176.860 175.510 0.222 0.000 1.088 299 N CA -0.680 52.470 53.050 0.168 0.000 0.940 299 N CB 0.326 38.777 38.487 -0.059 0.000 1.180 299 N HN 0.390 nan 8.380 nan 0.000 0.505 300 N N 2.851 121.648 118.700 0.162 0.000 2.104 300 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 300 N C 1.790 177.427 175.510 0.212 0.000 1.024 300 N CA 1.286 54.453 53.050 0.197 0.000 0.853 300 N CB -0.502 38.057 38.487 0.121 0.000 1.008 300 N HN 0.710 nan 8.380 nan 0.000 0.424 301 G N 0.908 109.788 108.800 0.133 0.000 2.440 301 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 301 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 301 G C 1.262 176.263 174.900 0.168 0.000 1.154 301 G CA 0.948 46.145 45.100 0.162 0.000 0.767 301 G HN 0.367 nan 8.290 nan 0.000 0.552 302 H N 1.082 120.141 119.070 -0.019 0.000 2.293 302 H HA 0.049 4.605 4.556 -0.000 0.000 0.300 302 H C 2.926 177.998 175.328 -0.427 0.000 1.082 302 H CA 1.106 56.972 56.048 -0.302 0.000 1.308 302 H CB -0.995 28.454 29.762 -0.522 0.000 1.375 302 H HN 0.355 nan 8.280 nan 0.000 0.495 303 A N 1.732 124.460 122.820 -0.153 0.000 1.849 303 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 303 A C 2.332 179.992 177.584 0.126 0.000 1.202 303 A CA 2.108 54.183 52.037 0.063 0.000 0.629 303 A CB -0.375 18.878 19.000 0.423 0.000 0.834 303 A HN 0.352 nan 8.150 nan 0.000 0.447 304 E N -0.345 120.003 120.200 0.246 0.000 2.118 304 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 304 E C 2.075 178.697 176.600 0.036 0.000 0.992 304 E CA 1.487 58.083 56.400 0.328 0.000 0.804 304 E CB -0.531 29.504 29.700 0.559 0.000 0.741 304 E HN 0.751 nan 8.360 nan 0.000 0.458 305 M N 0.007 119.620 119.600 0.021 0.000 2.175 305 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 305 M C 2.385 178.622 176.300 -0.104 0.000 1.063 305 M CA 0.940 56.230 55.300 -0.016 0.000 1.119 305 M CB -0.210 32.435 32.600 0.075 0.000 1.377 305 M HN 0.051 nan 8.290 nan 0.000 0.415 306 L N -0.603 120.549 121.223 -0.118 0.000 1.976 306 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 306 L C 2.453 179.275 176.870 -0.080 0.000 1.071 306 L CA 1.086 55.874 54.840 -0.087 0.000 0.746 306 L CB -0.727 41.272 42.059 -0.101 0.000 0.890 306 L HN 0.072 nan 8.230 nan 0.000 0.432 307 V N 0.006 119.882 119.914 -0.063 0.000 2.370 307 V HA -0.374 3.746 4.120 -0.000 0.000 0.252 307 V C 2.422 178.368 176.094 -0.247 0.000 1.068 307 V CA 1.942 64.204 62.300 -0.065 0.000 1.061 307 V CB -0.679 31.189 31.823 0.075 0.000 0.656 307 V HN 0.450 nan 8.190 nan 0.000 0.455 308 K N -0.471 119.615 120.400 -0.524 0.000 2.228 308 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 308 K C 2.381 178.572 176.600 -0.682 0.000 1.051 308 K CA 1.223 56.960 56.287 -0.916 0.000 0.960 308 K CB -0.139 31.266 32.500 -1.825 0.000 0.743 308 K HN 0.434 nan 8.250 nan 0.000 0.458 309 S N 1.665 117.198 115.700 -0.279 0.000 2.355 309 S HA -0.052 4.418 4.470 -0.000 0.000 0.222 309 S C 1.981 176.598 174.600 0.029 0.000 1.031 309 S CA 0.861 59.152 58.200 0.151 0.000 0.993 309 S CB -0.162 63.244 63.200 0.343 0.000 0.859 309 S HN 0.193 nan 8.310 nan 0.000 0.453 310 I N 1.646 122.194 120.570 -0.037 0.000 2.248 310 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 310 I C 2.632 178.704 176.117 -0.074 0.000 1.107 310 I CA 1.239 62.513 61.300 -0.042 0.000 1.373 310 I CB -0.835 37.145 38.000 -0.033 0.000 1.055 310 I HN 0.389 nan 8.210 nan 0.000 0.418 311 G N -0.302 108.412 108.800 -0.143 0.000 2.422 311 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 311 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 311 G C 1.605 176.400 174.900 -0.175 0.000 1.146 311 G CA 0.332 45.332 45.100 -0.167 0.000 0.769 311 G HN 0.270 nan 8.290 nan 0.000 0.547 312 Q N 0.008 119.678 119.800 -0.217 0.000 2.079 312 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 312 Q C 2.452 178.393 176.000 -0.098 0.000 0.974 312 Q CA 1.476 57.114 55.803 -0.276 0.000 0.840 312 Q CB -0.284 28.168 28.738 -0.476 0.000 0.898 312 Q HN 0.559 nan 8.270 nan 0.000 0.430 313 E N -0.119 120.076 120.200 -0.007 0.000 2.150 313 E HA -0.102 4.247 4.350 -0.000 0.000 0.193 313 E C 1.548 178.155 176.600 0.012 0.000 0.985 313 E CA 1.693 58.118 56.400 0.043 0.000 0.814 313 E CB 0.023 29.750 29.700 0.044 0.000 0.752 313 E HN 0.401 nan 8.360 nan 0.000 0.466 314 T N -4.042 110.501 114.554 -0.018 0.000 3.023 314 T HA 0.517 4.867 4.350 -0.000 0.000 0.253 314 T C 0.915 175.600 174.700 -0.026 0.000 1.038 314 T CA 0.215 62.306 62.100 -0.014 0.000 0.962 314 T CB 0.809 69.669 68.868 -0.013 0.000 1.018 314 T HN 0.106 nan 8.240 nan 0.000 0.521 315 A N 0.030 122.821 122.820 -0.048 0.000 2.502 315 A HA 0.673 4.993 4.320 -0.000 0.000 0.253 315 A C 1.342 178.879 177.584 -0.078 0.000 0.938 315 A CA 0.182 52.187 52.037 -0.053 0.000 1.086 315 A CB -0.540 18.427 19.000 -0.055 0.000 1.176 315 A HN 1.265 nan 8.150 nan 0.000 0.499 316 G N -0.206 108.536 108.800 -0.096 0.000 2.341 316 G HA2 0.176 4.136 3.960 -0.000 0.000 0.292 316 G HA3 0.176 4.136 3.960 -0.000 0.000 0.292 316 G C 0.332 175.114 174.900 -0.196 0.000 1.021 316 G CA 0.681 45.696 45.100 -0.142 0.000 0.905 316 G HN 2.094 nan 8.290 nan 0.000 0.508 317 A N -0.540 122.148 122.820 -0.221 0.000 2.446 317 A HA 0.765 5.085 4.320 -0.000 0.000 0.282 317 A C 0.583 177.991 177.584 -0.293 0.000 1.102 317 A CA 0.430 52.333 52.037 -0.223 0.000 0.737 317 A CB 1.291 20.202 19.000 -0.148 0.000 1.212 317 A HN 1.622 nan 8.150 nan 0.000 0.434 318 G N 2.411 111.004 108.800 -0.346 0.000 3.401 318 G HA2 0.426 4.386 3.960 -0.000 0.000 0.251 318 G HA3 0.426 4.386 3.960 -0.000 0.000 0.251 318 G C 0.394 174.991 174.900 -0.504 0.000 0.960 318 G CA 0.644 45.473 45.100 -0.453 0.000 1.900 318 G HN 1.083 nan 8.290 nan 0.000 0.645 319 T N -4.045 110.271 114.554 -0.397 0.000 2.924 319 T HA 0.344 4.694 4.350 -0.000 0.000 0.291 319 T C 0.790 175.315 174.700 -0.291 0.000 1.045 319 T CA -0.950 60.947 62.100 -0.338 0.000 1.015 319 T CB 1.805 70.578 68.868 -0.158 0.000 1.103 319 T HN 0.193 nan 8.240 nan 0.000 0.496 320 W N 0.963 122.143 121.300 -0.200 0.000 2.358 320 W HA -0.072 4.588 4.660 -0.000 0.000 0.303 320 W C 1.606 178.045 176.519 -0.134 0.000 1.208 320 W CA 1.309 58.549 57.345 -0.175 0.000 1.274 320 W CB -0.699 28.656 29.460 -0.174 0.000 1.138 320 W HN 0.806 nan 8.180 nan 0.000 0.515 321 D N 0.040 120.506 120.400 0.109 0.000 2.106 321 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 321 D C 2.153 178.452 176.300 -0.001 0.000 0.997 321 D CA 2.241 56.263 54.000 0.036 0.000 0.834 321 D CB -0.717 40.089 40.800 0.011 0.000 0.956 321 D HN 0.067 nan 8.370 nan 0.000 0.448 322 A N 0.478 123.276 122.820 -0.037 0.000 2.067 322 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 322 A C 2.272 179.822 177.584 -0.057 0.000 1.156 322 A CA 1.538 53.542 52.037 -0.054 0.000 0.683 322 A CB -0.502 18.446 19.000 -0.086 0.000 0.808 322 A HN 0.291 nan 8.150 nan 0.000 0.455 323 G N -0.179 108.582 108.800 -0.065 0.000 2.394 323 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.214 323 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.214 323 G C 1.321 176.226 174.900 0.009 0.000 1.176 323 G CA 0.836 45.900 45.100 -0.061 0.000 0.786 323 G HN 0.300 nan 8.290 nan 0.000 0.533 324 L N 0.754 122.005 121.223 0.046 0.000 2.044 324 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 324 L C 3.146 180.031 176.870 0.025 0.000 1.075 324 L CA 0.784 55.653 54.840 0.048 0.000 0.747 324 L CB -1.262 40.822 42.059 0.042 0.000 0.903 324 L HN 0.082 nan 8.230 nan 0.000 0.435 325 V N 0.278 120.199 119.914 0.011 0.000 2.392 325 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 325 V C 2.529 178.628 176.094 0.009 0.000 1.059 325 V CA 1.834 64.137 62.300 0.005 0.000 1.051 325 V CB -1.094 30.727 31.823 -0.004 0.000 0.658 325 V HN 0.569 nan 8.190 nan 0.000 0.455 326 G N -1.024 107.778 108.800 0.004 0.000 2.448 326 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 326 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 326 G C 1.607 176.522 174.900 0.024 0.000 1.135 326 G CA 0.956 46.059 45.100 0.005 0.000 0.784 326 G HN 0.388 nan 8.290 nan 0.000 0.543 327 V N 0.401 120.336 119.914 0.036 0.000 2.323 327 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 327 V C 2.676 178.815 176.094 0.075 0.000 1.041 327 V CA 1.923 64.261 62.300 0.064 0.000 1.025 327 V CB -0.044 31.829 31.823 0.084 0.000 0.656 327 V HN 0.385 nan 8.190 nan 0.000 0.451 328 E N 0.712 120.947 120.200 0.057 0.000 2.021 328 E HA -0.289 4.061 4.350 -0.000 0.000 0.200 328 E C 2.146 178.781 176.600 0.058 0.000 1.015 328 E CA 2.237 58.670 56.400 0.055 0.000 0.824 328 E CB -0.224 29.492 29.700 0.027 0.000 0.762 328 E HN 0.735 nan 8.360 nan 0.000 0.454 329 E N 0.400 120.625 120.200 0.041 0.000 2.086 329 E HA -0.262 4.087 4.350 -0.000 0.000 0.205 329 E C 2.123 178.753 176.600 0.051 0.000 1.027 329 E CA 1.510 57.933 56.400 0.039 0.000 0.830 329 E CB -0.360 29.357 29.700 0.028 0.000 0.751 329 E HN 0.395 nan 8.360 nan 0.000 0.456 330 A N 1.096 123.950 122.820 0.056 0.000 1.948 330 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 330 A C 2.221 179.856 177.584 0.084 0.000 1.177 330 A CA 1.416 53.493 52.037 0.067 0.000 0.636 330 A CB -0.682 18.355 19.000 0.062 0.000 0.815 330 A HN 0.157 nan 8.150 nan 0.000 0.449 331 L N -0.013 121.269 121.223 0.098 0.000 2.023 331 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 331 L C 3.130 180.054 176.870 0.091 0.000 1.073 331 L CA 1.621 56.532 54.840 0.117 0.000 0.745 331 L CB -0.567 41.601 42.059 0.182 0.000 0.900 331 L HN 0.616 nan 8.230 nan 0.000 0.435 332 S N -0.070 115.676 115.700 0.076 0.000 2.368 332 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 332 S C 2.024 176.651 174.600 0.046 0.000 1.030 332 S CA 1.040 59.274 58.200 0.057 0.000 0.999 332 S CB -1.275 61.952 63.200 0.045 0.000 0.844 332 S HN 0.434 nan 8.310 nan 0.000 0.459 333 G N 0.734 109.563 108.800 0.048 0.000 2.586 333 G HA2 0.023 3.983 3.960 -0.000 0.000 0.215 333 G HA3 0.023 3.983 3.960 -0.000 0.000 0.215 333 G C 1.156 176.083 174.900 0.045 0.000 1.128 333 G CA 0.705 45.830 45.100 0.042 0.000 0.774 333 G HN 0.504 nan 8.290 nan 0.000 0.543 334 L N -0.480 120.776 121.223 0.055 0.000 2.607 334 L HA 0.455 4.795 4.340 -0.000 0.000 0.228 334 L C 1.808 178.689 176.870 0.018 0.000 1.123 334 L CA 1.268 56.139 54.840 0.051 0.000 0.890 334 L CB 0.243 42.356 42.059 0.090 0.000 1.103 334 L HN 0.286 nan 8.230 nan 0.000 0.468 335 G N -1.239 107.575 108.800 0.023 0.000 2.313 335 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 335 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 335 G C 0.274 175.190 174.900 0.027 0.000 1.023 335 G CA -0.037 45.071 45.100 0.014 0.000 0.626 335 G HN 0.149 nan 8.290 nan 0.000 0.503 336 V N 2.266 122.204 119.914 0.041 0.000 2.788 336 V HA 0.319 4.439 4.120 -0.000 0.000 0.307 336 V C 0.577 176.714 176.094 0.071 0.000 1.069 336 V CA 0.693 63.032 62.300 0.065 0.000 1.173 336 V CB 1.439 33.324 31.823 0.104 0.000 0.925 336 V HN 0.416 nan 8.190 nan 0.000 0.492 337 D N 3.267 123.710 120.400 0.072 0.000 2.456 337 D HA 0.105 4.745 4.640 -0.000 0.000 0.219 337 D C 0.755 177.096 176.300 0.068 0.000 1.126 337 D CA -0.341 53.694 54.000 0.058 0.000 0.890 337 D CB 0.874 41.701 40.800 0.044 0.000 1.025 337 D HN 0.745 nan 8.370 nan 0.000 0.511 338 T N 1.164 115.755 114.554 0.062 0.000 4.099 338 T HA 0.471 4.821 4.350 -0.000 0.000 0.223 338 T C 0.992 175.701 174.700 0.014 0.000 0.968 338 T CA -0.255 61.871 62.100 0.045 0.000 0.966 338 T CB 0.490 69.386 68.868 0.046 0.000 1.328 338 T HN 0.217 nan 8.240 nan 0.000 0.783 339 A N 1.286 124.115 122.820 0.014 0.000 1.963 339 A HA 0.585 4.905 4.320 -0.000 0.000 0.207 339 A C 2.223 179.802 177.584 -0.009 0.000 1.243 339 A CA 0.364 52.403 52.037 0.003 0.000 0.728 339 A CB -0.560 18.445 19.000 0.009 0.000 0.895 339 A HN 0.673 nan 8.150 nan 0.000 0.467 340 G N -0.515 108.280 108.800 -0.009 0.000 3.088 340 G HA2 0.389 4.349 3.960 -0.000 0.000 0.212 340 G HA3 0.389 4.349 3.960 -0.000 0.000 0.212 340 G C 0.362 175.231 174.900 -0.051 0.000 1.173 340 G CA -0.180 44.908 45.100 -0.020 0.000 0.779 340 G HN 0.329 nan 8.290 nan 0.000 0.540 341 L N 0.706 121.885 121.223 -0.072 0.000 2.375 341 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 341 L C -0.605 176.199 176.870 -0.111 0.000 1.107 341 L CA -0.649 54.108 54.840 -0.138 0.000 0.806 341 L CB 2.145 44.091 42.059 -0.188 0.000 1.146 341 L HN -0.181 nan 8.230 nan 0.000 0.447 342 V N 4.141 123.975 119.914 -0.133 0.000 2.532 342 V HA 0.266 4.385 4.120 -0.000 0.000 0.294 342 V C -0.738 175.288 176.094 -0.114 0.000 1.036 342 V CA -0.488 61.753 62.300 -0.098 0.000 0.876 342 V CB 1.776 33.552 31.823 -0.078 0.000 1.012 342 V HN 0.397 nan 8.190 nan 0.000 0.432 343 L N 4.406 125.571 121.223 -0.096 0.000 2.262 343 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 343 L C 1.121 177.944 176.870 -0.078 0.000 1.035 343 L CA 0.343 55.132 54.840 -0.085 0.000 0.820 343 L CB 0.776 42.801 42.059 -0.057 0.000 1.204 343 L HN 0.455 nan 8.230 nan 0.000 0.424 344 N N 1.251 119.896 118.700 -0.093 0.000 2.414 344 N HA 0.026 4.766 4.740 -0.000 0.000 0.177 344 N C -0.411 174.970 175.510 -0.215 0.000 1.062 344 N CA 0.501 53.467 53.050 -0.140 0.000 0.890 344 N CB 0.690 39.101 38.487 -0.128 0.000 1.070 344 N HN 0.875 nan 8.380 nan 0.000 0.454 345 D N -3.471 116.855 120.400 -0.122 0.000 2.692 345 D HA 0.282 4.922 4.640 -0.000 0.000 0.290 345 D C 0.700 177.048 176.300 0.081 0.000 1.281 345 D CA -0.558 53.377 54.000 -0.108 0.000 0.804 345 D CB 0.335 41.069 40.800 -0.109 0.000 1.331 345 D HN -0.119 nan 8.370 nan 0.000 0.432 346 G N -0.949 107.971 108.800 0.201 0.000 2.539 346 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.215 346 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.215 346 G C 1.181 176.237 174.900 0.260 0.000 1.141 346 G CA 0.854 46.096 45.100 0.236 0.000 0.806 346 G HN 0.599 nan 8.290 nan 0.000 0.533 347 S N -0.330 115.538 115.700 0.279 0.000 2.406 347 S HA 0.290 4.760 4.470 -0.000 0.000 0.228 347 S C 2.008 176.691 174.600 0.139 0.000 1.020 347 S CA 1.338 59.685 58.200 0.245 0.000 0.965 347 S CB -0.258 63.089 63.200 0.245 0.000 0.798 347 S HN 1.490 nan 8.310 nan 0.000 0.488 348 G N 0.777 109.644 108.800 0.111 0.000 2.159 348 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 348 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 348 G C 0.469 175.353 174.900 -0.027 0.000 0.986 348 G CA 0.295 45.417 45.100 0.037 0.000 0.651 348 G HN 0.469 nan 8.290 nan 0.000 0.523 349 L N 1.016 122.217 121.223 -0.036 0.000 2.056 349 L HA 0.146 4.486 4.340 -0.000 0.000 0.207 349 L C 1.994 178.742 176.870 -0.203 0.000 1.078 349 L CA 1.686 56.394 54.840 -0.220 0.000 0.749 349 L CB -0.481 41.283 42.059 -0.492 0.000 0.901 349 L HN 0.480 nan 8.230 nan 0.000 0.433 350 S N 0.323 116.046 115.700 0.039 0.000 2.546 350 S HA -0.052 4.418 4.470 -0.000 0.000 0.290 350 S C 1.054 175.600 174.600 -0.090 0.000 1.290 350 S CA -0.198 58.033 58.200 0.051 0.000 1.069 350 S CB 0.396 63.659 63.200 0.105 0.000 0.846 350 S HN 0.311 nan 8.310 nan 0.000 0.495 351 R N 3.321 123.725 120.500 -0.161 0.000 2.346 351 R HA 0.077 4.416 4.340 -0.000 0.000 0.225 351 R C 1.544 177.797 176.300 -0.079 0.000 0.987 351 R CA 0.510 56.525 56.100 -0.141 0.000 1.106 351 R CB -0.324 29.869 30.300 -0.177 0.000 1.090 351 R HN 0.783 nan 8.270 nan 0.000 0.502 352 G N -0.323 108.435 108.800 -0.070 0.000 3.159 352 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.232 352 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.232 352 G C 0.254 175.114 174.900 -0.066 0.000 1.116 352 G CA -0.330 44.733 45.100 -0.062 0.000 0.767 352 G HN 0.126 nan 8.290 nan 0.000 0.547 353 N N 0.510 119.169 118.700 -0.067 0.000 2.515 353 N HA 0.583 5.323 4.740 -0.000 0.000 0.279 353 N C -0.789 174.674 175.510 -0.078 0.000 1.164 353 N CA 0.104 53.108 53.050 -0.077 0.000 0.982 353 N CB 1.954 40.399 38.487 -0.070 0.000 1.170 353 N HN 0.001 nan 8.380 nan 0.000 0.474 354 L N 0.656 121.819 121.223 -0.100 0.000 2.466 354 L HA 0.602 4.942 4.340 -0.000 0.000 0.258 354 L C -0.325 176.466 176.870 -0.132 0.000 0.973 354 L CA -0.905 53.881 54.840 -0.090 0.000 0.826 354 L CB 2.162 44.180 42.059 -0.069 0.000 1.372 354 L HN 0.326 nan 8.230 nan 0.000 0.409 355 V N -1.203 118.652 119.914 -0.097 0.000 3.130 355 V HA 0.897 5.017 4.120 -0.000 0.000 0.308 355 V C -0.843 175.236 176.094 -0.024 0.000 1.413 355 V CA -0.518 61.719 62.300 -0.104 0.000 1.053 355 V CB 2.149 33.911 31.823 -0.101 0.000 1.075 355 V HN 0.833 nan 8.190 nan 0.000 0.465 356 T N -2.641 111.924 114.554 0.018 0.000 2.933 356 T HA 0.777 5.127 4.350 -0.000 0.000 0.305 356 T C 0.848 175.589 174.700 0.067 0.000 1.092 356 T CA 0.050 62.172 62.100 0.037 0.000 1.008 356 T CB 1.595 70.483 68.868 0.032 0.000 1.102 356 T HN 1.999 nan 8.240 nan 0.000 0.469 357 A N 1.969 124.825 122.820 0.060 0.000 1.927 357 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 357 A C 1.915 179.540 177.584 0.069 0.000 1.185 357 A CA 2.221 54.296 52.037 0.064 0.000 0.639 357 A CB -1.017 18.023 19.000 0.067 0.000 0.820 357 A HN 0.918 nan 8.150 nan 0.000 0.451 358 D N -0.627 119.813 120.400 0.067 0.000 2.087 358 D HA -0.109 4.531 4.640 -0.000 0.000 0.192 358 D C 2.077 178.427 176.300 0.084 0.000 0.993 358 D CA 2.036 56.075 54.000 0.065 0.000 0.828 358 D CB -0.989 39.843 40.800 0.054 0.000 0.968 358 D HN 0.403 nan 8.370 nan 0.000 0.448 359 T N 0.939 115.559 114.554 0.111 0.000 2.721 359 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 359 T C 2.179 177.023 174.700 0.240 0.000 1.038 359 T CA 0.901 63.109 62.100 0.180 0.000 1.145 359 T CB -0.347 68.642 68.868 0.201 0.000 0.858 359 T HN -0.023 nan 8.240 nan 0.000 0.459 360 V N 0.772 120.815 119.914 0.215 0.000 2.323 360 V HA -0.114 4.005 4.120 -0.000 0.000 0.244 360 V C 2.641 178.717 176.094 -0.030 0.000 1.041 360 V CA 1.228 63.594 62.300 0.110 0.000 1.025 360 V CB -0.589 31.288 31.823 0.090 0.000 0.656 360 V HN 0.325 nan 8.190 nan 0.000 0.451 361 V N 0.553 120.462 119.914 -0.008 0.000 2.358 361 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 361 V C 2.416 178.510 176.094 -0.000 0.000 1.047 361 V CA 2.205 64.489 62.300 -0.026 0.000 1.035 361 V CB -0.721 31.111 31.823 0.015 0.000 0.658 361 V HN 0.633 nan 8.190 nan 0.000 0.452 362 D N 0.491 120.907 120.400 0.025 0.000 2.103 362 D HA -0.219 4.420 4.640 -0.000 0.000 0.190 362 D C 2.042 178.342 176.300 -0.001 0.000 0.997 362 D CA 1.926 55.943 54.000 0.029 0.000 0.833 362 D CB -0.292 40.541 40.800 0.055 0.000 0.961 362 D HN 0.309 nan 8.370 nan 0.000 0.447 363 L N 0.364 121.567 121.223 -0.032 0.000 2.079 363 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 363 L C 2.337 179.137 176.870 -0.116 0.000 1.081 363 L CA 1.482 56.249 54.840 -0.121 0.000 0.752 363 L CB -0.704 41.148 42.059 -0.344 0.000 0.896 363 L HN 0.176 nan 8.230 nan 0.000 0.433 364 L N -0.656 120.527 121.223 -0.066 0.000 2.131 364 L HA -0.097 4.242 4.340 -0.000 0.000 0.210 364 L C 2.453 179.431 176.870 0.180 0.000 1.092 364 L CA 1.050 55.912 54.840 0.036 0.000 0.759 364 L CB -1.275 40.676 42.059 -0.181 0.000 0.903 364 L HN 0.484 nan 8.230 nan 0.000 0.435 365 G N -1.029 107.818 108.800 0.078 0.000 2.464 365 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 365 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 365 G C 1.388 176.282 174.900 -0.011 0.000 1.218 365 G CA 0.133 45.274 45.100 0.069 0.000 0.794 365 G HN 0.213 nan 8.290 nan 0.000 0.542 366 Q N 0.868 120.638 119.800 -0.051 0.000 1.967 366 Q HA -0.243 4.097 4.340 -0.000 0.000 0.210 366 Q C 2.998 178.874 176.000 -0.208 0.000 1.005 366 Q CA 1.874 57.613 55.803 -0.107 0.000 0.862 366 Q CB -1.339 27.352 28.738 -0.078 0.000 0.939 366 Q HN 0.396 nan 8.270 nan 0.000 0.417 367 A N 1.225 123.896 122.820 -0.249 0.000 1.896 367 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 367 A C 2.441 179.766 177.584 -0.431 0.000 1.206 367 A CA 2.575 54.338 52.037 -0.456 0.000 0.647 367 A CB -1.526 16.893 19.000 -0.969 0.000 0.828 367 A HN 0.539 nan 8.150 nan 0.000 0.455 368 G N -0.521 108.171 108.800 -0.180 0.000 2.505 368 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 368 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 368 G C 1.233 175.999 174.900 -0.224 0.000 1.145 368 G CA 1.569 46.557 45.100 -0.187 0.000 0.761 368 G HN 1.253 nan 8.290 nan 0.000 0.571 369 S N -0.282 115.286 115.700 -0.220 0.000 2.835 369 S HA 0.791 5.261 4.470 -0.000 0.000 0.194 369 S C -0.062 174.346 174.600 -0.320 0.000 1.364 369 S CA -0.056 58.013 58.200 -0.218 0.000 1.167 369 S CB 0.876 63.991 63.200 -0.142 0.000 1.223 369 S HN 0.717 nan 8.310 nan 0.000 0.512 370 A N 1.900 124.425 122.820 -0.492 0.000 2.485 370 A HA 0.905 5.225 4.320 -0.000 0.000 0.292 370 A C -2.164 174.984 177.584 -0.727 0.000 1.147 370 A CA -2.029 49.561 52.037 -0.746 0.000 0.750 370 A CB 0.266 18.443 19.000 -1.373 0.000 1.331 370 A HN 0.334 nan 8.150 nan 0.000 0.419 371 P HA -0.168 nan 4.420 nan 0.000 0.213 371 P C 1.133 178.231 177.300 -0.337 0.000 1.176 371 P CA 2.148 64.976 63.100 -0.454 0.000 0.919 371 P CB -0.134 31.358 31.700 -0.345 0.000 0.791 372 W N -1.233 120.069 121.300 0.003 0.000 3.077 372 W HA 0.389 5.048 4.660 -0.000 0.000 0.245 372 W C 1.583 178.149 176.519 0.077 0.000 1.316 372 W CA 0.277 57.651 57.345 0.048 0.000 1.537 372 W CB -1.629 27.877 29.460 0.077 0.000 1.131 372 W HN -0.094 nan 8.180 nan 0.000 0.695 373 A N 1.541 124.361 122.820 0.000 0.000 2.038 373 A HA -0.353 3.967 4.320 -0.000 0.000 0.224 373 A C 2.220 179.958 177.584 0.257 0.000 1.190 373 A CA 2.420 54.511 52.037 0.090 0.000 0.668 373 A CB -0.813 18.088 19.000 -0.163 0.000 0.820 373 A HN 0.283 nan 8.150 nan 0.000 0.474 374 Q N -0.725 119.187 119.800 0.186 0.000 1.965 374 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 374 Q C 2.577 178.710 176.000 0.221 0.000 0.981 374 Q CA 2.692 58.593 55.803 0.162 0.000 0.834 374 Q CB -1.035 27.766 28.738 0.106 0.000 0.900 374 Q HN 0.849 nan 8.270 nan 0.000 0.426 375 T N -1.108 113.599 114.554 0.256 0.000 2.720 375 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 375 T C 1.628 176.488 174.700 0.267 0.000 1.037 375 T CA 1.429 63.667 62.100 0.230 0.000 1.144 375 T CB -0.900 68.103 68.868 0.225 0.000 0.864 375 T HN 0.533 nan 8.240 nan 0.000 0.444 376 W N 2.990 124.410 121.300 0.200 0.000 2.318 376 W HA -0.237 4.423 4.660 -0.000 0.000 0.313 376 W C 2.414 179.017 176.519 0.140 0.000 1.221 376 W CA 2.514 59.968 57.345 0.181 0.000 1.266 376 W CB -0.891 28.791 29.460 0.369 0.000 1.150 376 W HN 0.541 nan 8.180 nan 0.000 0.496 377 S N 0.960 116.843 115.700 0.305 0.000 2.406 377 S HA -0.006 4.464 4.470 -0.000 0.000 0.228 377 S C 2.130 176.744 174.600 0.024 0.000 1.020 377 S CA 1.246 59.527 58.200 0.135 0.000 0.965 377 S CB -0.878 62.425 63.200 0.171 0.000 0.798 377 S HN 0.245 nan 8.310 nan 0.000 0.488 378 A N 2.061 124.914 122.820 0.055 0.000 2.067 378 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 378 A C 2.451 180.025 177.584 -0.016 0.000 1.158 378 A CA 1.703 53.759 52.037 0.031 0.000 0.661 378 A CB -1.040 17.998 19.000 0.063 0.000 0.801 378 A HN 0.837 nan 8.150 nan 0.000 0.452 379 S N -0.419 115.244 115.700 -0.063 0.000 2.414 379 S HA 0.144 4.614 4.470 -0.000 0.000 0.227 379 S C 0.760 175.234 174.600 -0.210 0.000 1.022 379 S CA -0.084 58.044 58.200 -0.119 0.000 0.958 379 S CB -0.678 62.435 63.200 -0.145 0.000 0.797 379 S HN 0.392 nan 8.310 nan 0.000 0.493 380 L N 2.485 123.561 121.223 -0.247 0.000 2.456 380 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 380 L C -2.410 174.358 176.870 -0.171 0.000 1.189 380 L CA -2.023 52.665 54.840 -0.252 0.000 0.846 380 L CB -0.140 41.780 42.059 -0.232 0.000 1.111 380 L HN 0.044 nan 8.230 nan 0.000 0.475 381 P HA 0.038 nan 4.420 nan 0.000 0.269 381 P C -0.947 176.304 177.300 -0.082 0.000 1.209 381 P CA -0.101 62.909 63.100 -0.150 0.000 0.776 381 P CB 0.727 32.331 31.700 -0.161 0.000 0.876 382 V N 2.680 122.557 119.914 -0.062 0.000 2.378 382 V HA 0.469 4.588 4.120 -0.000 0.000 0.288 382 V C 0.488 176.567 176.094 -0.025 0.000 1.016 382 V CA -1.082 61.201 62.300 -0.029 0.000 0.840 382 V CB 0.832 32.645 31.823 -0.016 0.000 0.994 382 V HN 0.698 nan 8.190 nan 0.000 0.431 383 A N 3.893 126.702 122.820 -0.018 0.000 2.587 383 A HA 0.429 4.749 4.320 -0.000 0.000 0.233 383 A C 1.720 179.294 177.584 -0.017 0.000 1.049 383 A CA 0.985 53.011 52.037 -0.018 0.000 0.754 383 A CB -0.471 18.518 19.000 -0.018 0.000 0.977 383 A HN 2.265 nan 8.150 nan 0.000 0.509 384 G N 0.736 109.528 108.800 -0.013 0.000 2.302 384 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.263 384 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.263 384 G C 0.216 175.117 174.900 0.001 0.000 0.995 384 G CA 0.599 45.695 45.100 -0.007 0.000 0.622 384 G HN 0.912 nan 8.290 nan 0.000 0.538 385 E N 1.170 121.370 120.200 0.001 0.000 2.292 385 E HA 0.274 4.624 4.350 -0.000 0.000 0.265 385 E C 1.317 177.930 176.600 0.022 0.000 1.093 385 E CA 0.634 57.041 56.400 0.011 0.000 0.922 385 E CB 1.156 30.862 29.700 0.009 0.000 1.001 385 E HN 0.272 nan 8.360 nan 0.000 0.444 386 S N 2.806 118.523 115.700 0.029 0.000 2.382 386 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 386 S C 0.768 175.405 174.600 0.061 0.000 1.027 386 S CA 0.638 58.861 58.200 0.039 0.000 0.991 386 S CB 0.119 63.340 63.200 0.036 0.000 0.823 386 S HN 0.515 nan 8.310 nan 0.000 0.469 387 D N 1.527 121.970 120.400 0.072 0.000 2.363 387 D HA 0.105 4.745 4.640 -0.000 0.000 0.263 387 D C -1.571 174.814 176.300 0.142 0.000 1.258 387 D CA -1.691 52.378 54.000 0.115 0.000 0.907 387 D CB 1.328 42.198 40.800 0.117 0.000 1.107 387 D HN 0.119 nan 8.370 nan 0.000 0.495 388 P HA -0.199 nan 4.420 nan 0.000 0.216 388 P C 1.121 178.510 177.300 0.149 0.000 1.167 388 P CA 1.303 64.546 63.100 0.237 0.000 0.914 388 P CB -0.056 31.823 31.700 0.298 0.000 0.793 389 F N -1.949 118.146 119.950 0.241 0.000 2.722 389 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 389 F C 1.927 177.695 175.800 -0.052 0.000 1.175 389 F CA 0.697 58.757 58.000 0.099 0.000 1.462 389 F CB -0.526 38.583 39.000 0.183 0.000 1.111 389 F HN -0.189 nan 8.300 nan 0.000 0.592 390 V N -1.721 118.245 119.914 0.087 0.000 2.721 390 V HA 0.145 4.264 4.120 -0.000 0.000 0.236 390 V C 2.453 178.516 176.094 -0.051 0.000 1.116 390 V CA 1.290 63.606 62.300 0.027 0.000 1.148 390 V CB -0.948 30.911 31.823 0.060 0.000 0.886 390 V HN 0.227 nan 8.190 nan 0.000 0.490 391 G N -0.555 108.223 108.800 -0.037 0.000 2.430 391 G HA2 0.302 4.262 3.960 -0.000 0.000 0.216 391 G HA3 0.302 4.262 3.960 -0.000 0.000 0.216 391 G C 1.170 175.995 174.900 -0.125 0.000 1.146 391 G CA 1.153 46.219 45.100 -0.056 0.000 0.793 391 G HN 0.898 nan 8.290 nan 0.000 0.537 392 G N 0.043 108.718 108.800 -0.209 0.000 2.634 392 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.309 392 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.309 392 G C 1.416 176.256 174.900 -0.100 0.000 1.265 392 G CA 2.200 47.093 45.100 -0.345 0.000 0.998 392 G HN 1.213 nan 8.290 nan 0.000 0.551 393 T N -0.501 113.990 114.554 -0.106 0.000 3.163 393 T HA 0.320 4.670 4.350 -0.000 0.000 0.260 393 T C 1.966 176.639 174.700 -0.044 0.000 1.156 393 T CA 1.575 63.649 62.100 -0.044 0.000 1.072 393 T CB 0.014 68.848 68.868 -0.056 0.000 0.937 393 T HN 0.508 nan 8.240 nan 0.000 0.528 394 L N -0.186 121.003 121.223 -0.057 0.000 2.728 394 L HA 0.492 4.832 4.340 -0.000 0.000 0.238 394 L C 2.619 179.474 176.870 -0.026 0.000 1.143 394 L CA 0.050 54.867 54.840 -0.039 0.000 0.937 394 L CB -0.257 41.776 42.059 -0.043 0.000 1.225 394 L HN 0.286 nan 8.230 nan 0.000 0.507 395 A N 0.964 123.774 122.820 -0.018 0.000 1.883 395 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 395 A C 1.652 179.237 177.584 0.002 0.000 1.186 395 A CA 1.910 53.947 52.037 -0.000 0.000 0.624 395 A CB -0.522 18.490 19.000 0.021 0.000 0.822 395 A HN 0.575 nan 8.150 nan 0.000 0.444 396 N N -1.021 117.679 118.700 0.001 0.000 2.314 396 N HA 0.118 4.858 4.740 -0.000 0.000 0.200 396 N C -0.264 175.241 175.510 -0.008 0.000 1.135 396 N CA -0.167 52.882 53.050 -0.001 0.000 0.835 396 N CB 0.339 38.827 38.487 0.001 0.000 0.989 396 N HN 0.351 nan 8.380 nan 0.000 0.478 397 R N 0.533 121.026 120.500 -0.012 0.000 2.514 397 R HA 0.397 4.737 4.340 -0.000 0.000 0.301 397 R C 0.072 176.361 176.300 -0.019 0.000 0.962 397 R CA -0.560 55.530 56.100 -0.017 0.000 0.882 397 R CB 1.266 31.554 30.300 -0.020 0.000 1.143 397 R HN 0.096 nan 8.270 nan 0.000 0.452 398 M N 0.645 120.232 119.600 -0.022 0.000 2.732 398 M HA -0.251 4.229 4.480 -0.000 0.000 0.207 398 M C -0.608 175.680 176.300 -0.019 0.000 0.513 398 M CA 0.978 56.263 55.300 -0.025 0.000 0.652 398 M CB -1.270 31.310 32.600 -0.032 0.000 2.410 398 M HN 0.555 nan 8.290 nan 0.000 0.660 399 R N 0.490 120.982 120.500 -0.013 0.000 2.390 399 R HA 0.439 4.779 4.340 -0.000 0.000 0.291 399 R C 1.328 177.623 176.300 -0.007 0.000 1.070 399 R CA 0.796 56.891 56.100 -0.008 0.000 1.014 399 R CB 0.825 31.123 30.300 -0.003 0.000 1.007 399 R HN 0.522 nan 8.270 nan 0.000 0.466 400 G N 1.473 110.270 108.800 -0.004 0.000 2.136 400 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 400 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 400 G C 0.120 175.018 174.900 -0.003 0.000 0.989 400 G CA 0.437 45.536 45.100 -0.002 0.000 0.682 400 G HN 0.729 nan 8.290 nan 0.000 0.522 401 T N -4.058 110.491 114.554 -0.008 0.000 2.907 401 T HA 0.822 5.172 4.350 -0.000 0.000 0.290 401 T C 1.503 176.197 174.700 -0.009 0.000 1.066 401 T CA 0.352 62.446 62.100 -0.010 0.000 1.012 401 T CB 1.683 70.538 68.868 -0.022 0.000 1.184 401 T HN 1.412 nan 8.240 nan 0.000 0.522 402 A N 0.507 123.326 122.820 -0.001 0.000 2.032 402 A HA 0.165 4.485 4.320 -0.000 0.000 0.221 402 A C 2.455 180.008 177.584 -0.052 0.000 1.165 402 A CA 2.020 54.065 52.037 0.014 0.000 0.645 402 A CB -1.457 17.574 19.000 0.051 0.000 0.807 402 A HN 1.292 nan 8.150 nan 0.000 0.453 403 A N -0.268 122.513 122.820 -0.065 0.000 1.968 403 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 403 A C 1.157 178.691 177.584 -0.082 0.000 1.169 403 A CA 0.774 52.753 52.037 -0.096 0.000 0.638 403 A CB -0.423 18.530 19.000 -0.079 0.000 0.812 403 A HN 0.659 nan 8.150 nan 0.000 0.446 404 E N -0.375 119.794 120.200 -0.051 0.000 2.608 404 E HA 0.176 4.526 4.350 -0.000 0.000 0.259 404 E C 1.227 177.804 176.600 -0.038 0.000 0.951 404 E CA 0.611 56.991 56.400 -0.033 0.000 0.945 404 E CB -0.157 29.533 29.700 -0.016 0.000 0.916 404 E HN 0.778 nan 8.360 nan 0.000 0.477 405 G N 2.538 111.322 108.800 -0.027 0.000 2.228 405 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.270 405 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.270 405 G C 0.730 175.607 174.900 -0.038 0.000 0.976 405 G CA 0.611 45.699 45.100 -0.019 0.000 0.636 405 G HN 0.463 nan 8.290 nan 0.000 0.542 406 V N -0.081 119.781 119.914 -0.086 0.000 2.599 406 V HA 0.197 4.317 4.120 -0.000 0.000 0.237 406 V C 1.823 177.877 176.094 -0.065 0.000 1.081 406 V CA 0.840 63.053 62.300 -0.145 0.000 1.107 406 V CB -0.009 31.566 31.823 -0.414 0.000 0.808 406 V HN 0.241 nan 8.190 nan 0.000 0.486 407 V N 2.065 121.952 119.914 -0.046 0.000 2.585 407 V HA 0.079 4.199 4.120 -0.000 0.000 0.296 407 V C 0.062 176.200 176.094 0.073 0.000 1.035 407 V CA 0.321 62.647 62.300 0.045 0.000 1.084 407 V CB 0.193 32.041 31.823 0.043 0.000 0.953 407 V HN 0.534 nan 8.190 nan 0.000 0.483 408 E N 3.550 123.831 120.200 0.136 0.000 2.141 408 E HA 0.688 5.037 4.350 -0.000 0.000 0.259 408 E C -0.438 176.193 176.600 0.051 0.000 0.883 408 E CA -0.275 56.182 56.400 0.095 0.000 0.744 408 E CB 1.761 31.559 29.700 0.163 0.000 1.150 408 E HN 0.844 nan 8.360 nan 0.000 0.420 409 A N 2.942 125.746 122.820 -0.027 0.000 2.549 409 A HA 0.555 4.875 4.320 -0.000 0.000 0.297 409 A C -1.147 176.337 177.584 -0.166 0.000 1.061 409 A CA -0.888 51.072 52.037 -0.128 0.000 0.690 409 A CB 1.590 20.576 19.000 -0.025 0.000 1.287 409 A HN 0.355 nan 8.150 nan 0.000 0.402 410 K N 1.047 121.305 120.400 -0.236 0.000 2.205 410 K HA 0.598 4.918 4.320 -0.000 0.000 0.279 410 K C 0.599 177.103 176.600 -0.160 0.000 1.027 410 K CA 0.486 56.639 56.287 -0.224 0.000 0.932 410 K CB 0.715 33.053 32.500 -0.270 0.000 1.032 410 K HN 0.885 nan 8.250 nan 0.000 0.466 411 T N -0.151 114.324 114.554 -0.132 0.000 2.888 411 T HA 0.795 5.144 4.350 -0.000 0.000 0.283 411 T C 0.194 174.843 174.700 -0.085 0.000 1.013 411 T CA -0.559 61.486 62.100 -0.092 0.000 0.938 411 T CB 1.311 70.133 68.868 -0.077 0.000 1.298 411 T HN 0.650 nan 8.240 nan 0.000 0.580 412 G N 0.191 108.950 108.800 -0.067 0.000 1.882 412 G HA2 0.451 4.411 3.960 -0.000 0.000 0.256 412 G HA3 0.451 4.411 3.960 -0.000 0.000 0.256 412 G C -0.918 173.951 174.900 -0.052 0.000 2.065 412 G CA -0.729 44.333 45.100 -0.063 0.000 0.882 412 G HN 0.816 nan 8.290 nan 0.000 0.574 413 T N 2.650 117.165 114.554 -0.066 0.000 2.921 413 T HA 0.821 5.171 4.350 -0.000 0.000 0.297 413 T C 0.170 174.823 174.700 -0.078 0.000 1.013 413 T CA -0.439 61.632 62.100 -0.048 0.000 0.990 413 T CB 1.651 70.494 68.868 -0.040 0.000 1.023 413 T HN 1.126 nan 8.240 nan 0.000 0.447 414 M N -0.386 119.186 119.600 -0.047 0.000 2.949 414 M HA 0.634 5.114 4.480 -0.000 0.000 0.270 414 M C -0.286 176.005 176.300 -0.016 0.000 1.221 414 M CA -1.129 54.128 55.300 -0.073 0.000 0.818 414 M CB 1.568 34.084 32.600 -0.140 0.000 1.635 414 M HN 0.370 nan 8.290 nan 0.000 0.492 415 S N 0.781 116.479 115.700 -0.003 0.000 3.225 415 S HA 0.292 4.762 4.470 -0.000 0.000 0.378 415 S C 1.338 175.906 174.600 -0.054 0.000 1.190 415 S CA 2.005 60.212 58.200 0.013 0.000 1.104 415 S CB -1.194 62.065 63.200 0.097 0.000 0.795 415 S HN 1.867 nan 8.310 nan 0.000 0.517 416 G N 2.828 111.519 108.800 -0.181 0.000 2.189 416 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.267 416 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.267 416 G C 0.046 174.722 174.900 -0.374 0.000 0.975 416 G CA 0.274 45.083 45.100 -0.485 0.000 0.644 416 G HN 1.242 nan 8.290 nan 0.000 0.537 417 V N -0.322 119.583 119.914 -0.014 0.000 2.686 417 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 417 V C -0.139 176.065 176.094 0.184 0.000 1.065 417 V CA -0.101 62.278 62.300 0.132 0.000 0.894 417 V CB 2.039 33.873 31.823 0.018 0.000 1.004 417 V HN 0.708 nan 8.190 nan 0.000 0.424 418 S N 2.413 118.209 115.700 0.159 0.000 2.566 418 S HA 0.899 5.369 4.470 -0.000 0.000 0.273 418 S C -0.829 173.772 174.600 0.003 0.000 1.157 418 S CA 0.266 58.484 58.200 0.030 0.000 0.938 418 S CB 1.656 64.812 63.200 -0.074 0.000 1.087 418 S HN 1.465 nan 8.310 nan 0.000 0.474 419 A N 2.720 125.531 122.820 -0.015 0.000 2.556 419 A HA 0.934 5.254 4.320 -0.000 0.000 0.294 419 A C -1.821 175.747 177.584 -0.027 0.000 1.091 419 A CA -0.633 51.394 52.037 -0.016 0.000 0.704 419 A CB 1.807 20.798 19.000 -0.015 0.000 1.300 419 A HN 1.180 nan 8.150 nan 0.000 0.406 420 L N 0.897 122.108 121.223 -0.020 0.000 2.680 420 L HA 0.603 4.943 4.340 -0.000 0.000 0.260 420 L C -1.173 175.621 176.870 -0.126 0.000 0.975 420 L CA 0.334 55.168 54.840 -0.011 0.000 0.920 420 L CB 1.592 43.714 42.059 0.105 0.000 1.234 420 L HN 0.533 nan 8.230 nan 0.000 0.429 421 S N 2.668 118.170 115.700 -0.330 0.000 2.605 421 S HA 0.991 5.461 4.470 -0.000 0.000 0.308 421 S C -0.026 174.100 174.600 -0.790 0.000 1.113 421 S CA -0.080 57.726 58.200 -0.657 0.000 1.049 421 S CB 1.667 64.646 63.200 -0.369 0.000 1.001 421 S HN 0.988 nan 8.310 nan 0.000 0.480 422 G N 1.533 109.523 108.800 -1.349 0.000 2.650 422 G HA2 0.613 4.573 3.960 -0.000 0.000 0.310 422 G HA3 0.613 4.573 3.960 -0.000 0.000 0.310 422 G C -2.223 172.288 174.900 -0.650 0.000 1.270 422 G CA -0.518 44.091 45.100 -0.818 0.000 0.810 422 G HN 0.450 nan 8.290 nan 0.000 0.493 423 Y N -1.252 119.076 120.300 0.048 0.000 2.496 423 Y HA 0.632 5.182 4.550 -0.000 0.000 0.331 423 Y C 0.150 176.209 175.900 0.265 0.000 1.140 423 Y CA -0.851 57.354 58.100 0.175 0.000 1.166 423 Y CB 2.565 41.102 38.460 0.129 0.000 1.249 423 Y HN 0.228 nan 8.280 nan 0.000 0.479 424 V N 4.076 124.234 119.914 0.406 0.000 2.454 424 V HA 0.285 4.405 4.120 -0.000 0.000 0.267 424 V C -2.492 173.729 176.094 0.212 0.000 0.993 424 V CA -1.682 60.764 62.300 0.244 0.000 0.836 424 V CB 0.860 32.786 31.823 0.171 0.000 1.055 424 V HN 0.552 nan 8.190 nan 0.000 0.452 425 P HA 0.654 nan 4.420 nan 0.000 0.276 425 P C 0.085 177.557 177.300 0.287 0.000 1.244 425 P CA 0.260 63.464 63.100 0.173 0.000 0.801 425 P CB 2.380 34.151 31.700 0.119 0.000 1.006 426 G N 1.142 110.084 108.800 0.236 0.000 2.321 426 G HA2 0.220 4.180 3.960 -0.000 0.000 0.298 426 G HA3 0.220 4.180 3.960 -0.000 0.000 0.298 426 G C -2.580 172.348 174.900 0.048 0.000 1.385 426 G CA -0.721 44.508 45.100 0.214 0.000 0.856 426 G HN 0.210 nan 8.290 nan 0.000 0.584 427 P HA -0.076 nan 4.420 nan 0.000 0.216 427 P C 0.876 178.161 177.300 -0.025 0.000 1.150 427 P CA 1.209 64.282 63.100 -0.046 0.000 0.837 427 P CB 0.216 31.862 31.700 -0.091 0.000 0.786 428 E N 0.343 120.524 120.200 -0.031 0.000 2.505 428 E HA 0.218 4.568 4.350 -0.000 0.000 0.197 428 E C 0.970 177.601 176.600 0.051 0.000 1.111 428 E CA 0.439 56.830 56.400 -0.015 0.000 0.887 428 E CB -0.495 29.166 29.700 -0.065 0.000 0.913 428 E HN 0.332 nan 8.360 nan 0.000 0.517 429 G N 2.188 111.024 108.800 0.060 0.000 2.570 429 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 429 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 429 G C -1.022 173.946 174.900 0.113 0.000 1.257 429 G CA -0.777 44.372 45.100 0.082 0.000 0.846 429 G HN 0.131 nan 8.290 nan 0.000 0.627 430 E N -0.154 120.108 120.200 0.103 0.000 2.089 430 E HA 0.600 4.950 4.350 -0.000 0.000 0.284 430 E C -0.142 176.558 176.600 0.167 0.000 1.023 430 E CA -0.570 55.903 56.400 0.122 0.000 0.819 430 E CB 0.750 30.492 29.700 0.070 0.000 1.076 430 E HN 0.520 nan 8.360 nan 0.000 0.396 431 L N 3.416 124.768 121.223 0.215 0.000 2.360 431 L HA 0.759 5.099 4.340 -0.000 0.000 0.271 431 L C -0.235 176.832 176.870 0.328 0.000 1.057 431 L CA -0.546 54.436 54.840 0.237 0.000 0.803 431 L CB 1.754 43.938 42.059 0.209 0.000 1.207 431 L HN 0.698 nan 8.230 nan 0.000 0.445 432 A N 2.772 125.759 122.820 0.279 0.000 2.359 432 A HA 0.817 5.137 4.320 -0.000 0.000 0.303 432 A C -1.111 176.593 177.584 0.201 0.000 1.066 432 A CA -0.418 51.747 52.037 0.213 0.000 0.730 432 A CB 0.801 19.899 19.000 0.165 0.000 1.211 432 A HN 0.563 nan 8.150 nan 0.000 0.439 433 F N 0.386 120.309 119.950 -0.045 0.000 2.629 433 F HA 0.899 5.426 4.527 -0.000 0.000 0.316 433 F C -0.359 175.403 175.800 -0.063 0.000 1.081 433 F CA -0.911 57.063 58.000 -0.043 0.000 0.954 433 F CB 1.815 40.785 39.000 -0.051 0.000 1.337 433 F HN 0.521 nan 8.300 nan 0.000 0.474 434 S N 1.952 117.652 115.700 0.000 0.000 2.614 434 S HA 0.728 5.198 4.470 -0.000 0.000 0.275 434 S C -1.544 173.100 174.600 0.074 0.000 1.161 434 S CA -0.520 57.628 58.200 -0.086 0.000 0.969 434 S CB 0.829 63.991 63.200 -0.063 0.000 1.059 434 S HN 0.681 nan 8.310 nan 0.000 0.482 435 I N 4.658 125.270 120.570 0.071 0.000 2.439 435 I HA 0.443 4.613 4.170 -0.000 0.000 0.283 435 I C -1.012 175.126 176.117 0.034 0.000 1.023 435 I CA -0.832 60.514 61.300 0.076 0.000 1.100 435 I CB 1.970 40.032 38.000 0.103 0.000 1.238 435 I HN 0.323 nan 8.210 nan 0.000 0.445 436 V N 5.729 125.664 119.914 0.035 0.000 2.326 436 V HA 0.371 4.491 4.120 -0.000 0.000 0.281 436 V C -0.251 175.869 176.094 0.043 0.000 1.015 436 V CA -0.724 61.596 62.300 0.033 0.000 0.823 436 V CB 1.260 33.104 31.823 0.036 0.000 1.009 436 V HN 0.632 nan 8.190 nan 0.000 0.436 437 N N 4.540 123.268 118.700 0.046 0.000 2.419 437 N HA 0.444 5.184 4.740 -0.000 0.000 0.277 437 N C -0.829 174.801 175.510 0.201 0.000 1.006 437 N CA -0.232 52.865 53.050 0.079 0.000 0.923 437 N CB 1.806 40.271 38.487 -0.038 0.000 1.140 437 N HN 0.683 nan 8.380 nan 0.000 0.488 438 N N 0.065 118.870 118.700 0.176 0.000 2.295 438 N HA 0.417 5.157 4.740 -0.000 0.000 0.293 438 N C 0.292 175.849 175.510 0.078 0.000 1.040 438 N CA -0.513 52.606 53.050 0.114 0.000 0.840 438 N CB 2.240 40.754 38.487 0.046 0.000 1.468 438 N HN 0.699 nan 8.380 nan 0.000 0.478 439 G N 1.028 109.792 108.800 -0.060 0.000 2.192 439 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.193 439 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.193 439 G C -0.154 174.713 174.900 -0.055 0.000 0.999 439 G CA -0.432 44.633 45.100 -0.058 0.000 0.659 439 G HN 0.797 nan 8.290 nan 0.000 0.503 440 H N 0.735 119.808 119.070 0.005 0.000 2.790 440 H HA 0.608 5.164 4.556 -0.000 0.000 0.358 440 H C 1.069 176.399 175.328 0.004 0.000 1.103 440 H CA 0.430 56.480 56.048 0.003 0.000 1.426 440 H CB 1.037 30.798 29.762 -0.001 0.000 1.424 440 H HN 0.004 nan 8.280 nan 0.000 0.599 441 S N 1.656 117.395 115.700 0.066 0.000 2.446 441 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 441 S C 1.435 176.056 174.600 0.036 0.000 1.016 441 S CA 0.440 58.651 58.200 0.018 0.000 0.943 441 S CB 0.201 63.414 63.200 0.021 0.000 0.786 441 S HN 0.891 nan 8.310 nan 0.000 0.508 442 G N 1.411 110.260 108.800 0.083 0.000 3.194 442 G HA2 0.541 4.501 3.960 -0.000 0.000 0.160 442 G HA3 0.541 4.501 3.960 -0.000 0.000 0.160 442 G C -2.723 172.245 174.900 0.114 0.000 1.267 442 G CA -0.968 44.175 45.100 0.071 0.000 0.962 442 G HN 0.157 nan 8.290 nan 0.000 0.612 443 P HA 0.397 nan 4.420 nan 0.000 0.270 443 P C -0.170 177.168 177.300 0.064 0.000 1.223 443 P CA -0.075 63.060 63.100 0.058 0.000 0.785 443 P CB 0.565 32.275 31.700 0.017 0.000 0.923 444 A N 3.896 126.734 122.820 0.029 0.000 2.511 444 A HA 0.231 4.551 4.320 -0.000 0.000 0.242 444 A C -1.534 175.955 177.584 -0.159 0.000 1.069 444 A CA -0.807 51.172 52.037 -0.098 0.000 0.763 444 A CB -0.854 18.118 19.000 -0.046 0.000 1.001 444 A HN 0.461 nan 8.150 nan 0.000 0.498 445 P HA 0.072 nan 4.420 nan 0.000 0.249 445 P C 0.778 178.003 177.300 -0.126 0.000 1.686 445 P CA 0.014 63.004 63.100 -0.183 0.000 0.873 445 P CB -0.153 31.411 31.700 -0.227 0.000 1.828 446 L N 0.028 121.193 121.223 -0.096 0.000 2.081 446 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 446 L C 2.593 179.428 176.870 -0.058 0.000 1.080 446 L CA 1.765 56.564 54.840 -0.068 0.000 0.754 446 L CB -1.217 40.810 42.059 -0.052 0.000 0.893 446 L HN 0.102 nan 8.230 nan 0.000 0.433 447 A N -0.169 122.618 122.820 -0.055 0.000 1.933 447 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 447 A C 2.330 179.881 177.584 -0.056 0.000 1.175 447 A CA 1.737 53.745 52.037 -0.048 0.000 0.628 447 A CB -0.695 18.280 19.000 -0.041 0.000 0.814 447 A HN 0.223 nan 8.150 nan 0.000 0.444 448 V N -0.238 119.638 119.914 -0.064 0.000 2.453 448 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 448 V C 2.558 178.606 176.094 -0.077 0.000 1.048 448 V CA 2.049 64.307 62.300 -0.070 0.000 1.049 448 V CB -0.890 30.890 31.823 -0.072 0.000 0.672 448 V HN 0.626 nan 8.190 nan 0.000 0.457 449 Q N -0.280 119.479 119.800 -0.068 0.000 2.079 449 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 449 Q C 2.076 178.037 176.000 -0.065 0.000 0.974 449 Q CA 1.702 57.474 55.803 -0.051 0.000 0.840 449 Q CB -0.223 28.500 28.738 -0.025 0.000 0.898 449 Q HN 0.608 nan 8.270 nan 0.000 0.430 450 D N 0.654 121.018 120.400 -0.060 0.000 2.097 450 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 450 D C 1.823 178.069 176.300 -0.091 0.000 0.989 450 D CA 1.340 55.301 54.000 -0.066 0.000 0.827 450 D CB -0.308 40.462 40.800 -0.050 0.000 0.966 450 D HN 0.243 nan 8.370 nan 0.000 0.456 451 A N 1.069 123.839 122.820 -0.084 0.000 1.873 451 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 451 A C 2.414 179.924 177.584 -0.124 0.000 1.193 451 A CA 1.350 53.334 52.037 -0.088 0.000 0.629 451 A CB -0.897 18.058 19.000 -0.075 0.000 0.826 451 A HN 0.232 nan 8.150 nan 0.000 0.447 452 I N -0.468 120.008 120.570 -0.156 0.000 2.286 452 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 452 I C 2.973 178.908 176.117 -0.303 0.000 1.115 452 I CA 0.955 62.121 61.300 -0.223 0.000 1.392 452 I CB -0.445 37.412 38.000 -0.239 0.000 1.065 452 I HN 0.383 nan 8.210 nan 0.000 0.418 453 A N 0.642 123.272 122.820 -0.318 0.000 1.858 453 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 453 A C 2.441 179.866 177.584 -0.265 0.000 1.190 453 A CA 1.818 53.603 52.037 -0.420 0.000 0.617 453 A CB -1.024 17.814 19.000 -0.272 0.000 0.827 453 A HN 0.225 nan 8.150 nan 0.000 0.443 454 V N -0.016 119.801 119.914 -0.162 0.000 2.407 454 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 454 V C 2.679 178.726 176.094 -0.078 0.000 1.055 454 V CA 2.385 64.625 62.300 -0.100 0.000 1.049 454 V CB -0.833 30.949 31.823 -0.068 0.000 0.662 454 V HN 0.645 nan 8.190 nan 0.000 0.455 455 R N 0.439 120.880 120.500 -0.098 0.000 2.070 455 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 455 R C 2.097 178.374 176.300 -0.039 0.000 1.137 455 R CA 1.799 57.862 56.100 -0.061 0.000 0.945 455 R CB -0.825 29.420 30.300 -0.092 0.000 0.845 455 R HN 0.453 nan 8.270 nan 0.000 0.430 456 L N -0.004 121.140 121.223 -0.131 0.000 2.127 456 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 456 L C 2.427 179.310 176.870 0.022 0.000 1.089 456 L CA 1.295 56.070 54.840 -0.108 0.000 0.757 456 L CB -0.592 41.296 42.059 -0.285 0.000 0.899 456 L HN 0.373 nan 8.230 nan 0.000 0.434 457 A N 0.135 122.944 122.820 -0.018 0.000 1.855 457 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 457 A C 2.136 179.815 177.584 0.158 0.000 1.191 457 A CA 1.479 53.540 52.037 0.041 0.000 0.613 457 A CB -0.419 18.550 19.000 -0.052 0.000 0.829 457 A HN 0.436 nan 8.150 nan 0.000 0.442 458 E N -1.462 118.802 120.200 0.108 0.000 2.097 458 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 458 E C 1.893 178.567 176.600 0.124 0.000 1.000 458 E CA 1.674 58.139 56.400 0.108 0.000 0.804 458 E CB -0.419 29.322 29.700 0.068 0.000 0.740 458 E HN 0.774 nan 8.360 nan 0.000 0.454 459 Y N 1.317 121.630 120.300 0.022 0.000 2.128 459 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 459 Y C 2.227 178.149 175.900 0.036 0.000 1.154 459 Y CA 1.474 59.586 58.100 0.020 0.000 1.149 459 Y CB -0.254 38.213 38.460 0.011 0.000 0.976 459 Y HN -0.001 nan 8.280 nan 0.000 0.505 460 A N 0.089 123.071 122.820 0.270 0.000 2.259 460 A HA 0.174 4.494 4.320 -0.000 0.000 0.212 460 A C 1.593 179.189 177.584 0.021 0.000 1.178 460 A CA 1.094 53.252 52.037 0.202 0.000 0.734 460 A CB -1.688 17.507 19.000 0.324 0.000 0.774 460 A HN 1.095 nan 8.150 nan 0.000 0.481 461 G N -1.032 107.743 108.800 -0.042 0.000 2.303 461 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.260 461 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.260 461 G C -0.257 174.486 174.900 -0.262 0.000 1.106 461 G CA 0.158 45.167 45.100 -0.152 0.000 0.900 461 G HN 0.705 nan 8.290 nan 0.000 0.495 462 H N -0.688 118.382 119.070 -0.001 0.000 2.834 462 H HA 0.706 5.262 4.556 -0.000 0.000 0.369 462 H C 0.098 175.426 175.328 -0.000 0.000 1.174 462 H CA -0.224 55.826 56.048 0.004 0.000 1.165 462 H CB 2.073 31.843 29.762 0.013 0.000 1.820 462 H HN 0.460 nan 8.280 nan 0.000 0.558 463 Q N -0.164 119.723 119.800 0.146 0.000 2.462 463 Q HA 0.545 4.885 4.340 -0.000 0.000 0.285 463 Q C -0.991 175.046 176.000 0.061 0.000 1.035 463 Q CA -1.083 54.764 55.803 0.073 0.000 0.799 463 Q CB 2.963 31.724 28.738 0.039 0.000 1.452 463 Q HN 0.766 nan 8.270 nan 0.000 0.404 464 A N 2.669 125.510 122.820 0.035 0.000 2.566 464 A HA 0.271 4.591 4.320 -0.000 0.000 0.245 464 A C -1.849 175.750 177.584 0.025 0.000 1.056 464 A CA -0.472 51.578 52.037 0.023 0.000 0.757 464 A CB -0.727 18.281 19.000 0.013 0.000 0.979 464 A HN 0.419 nan 8.150 nan 0.000 0.508 465 P HA 0.651 nan 4.420 nan 0.000 0.274 465 P C -0.158 177.152 177.300 0.017 0.000 1.256 465 P CA 0.649 63.763 63.100 0.024 0.000 0.795 465 P CB 1.023 32.737 31.700 0.023 0.000 1.038 466 E N 0.000 120.210 120.200 0.016 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440