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 2xdm_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 0.000 176.428 176.300 0.214 0.000 0.893 1 R CA 0.000 56.188 56.100 0.147 0.000 0.921 1 R CB 0.000 30.387 30.300 0.144 0.000 0.687 2 L N 1.628 122.967 121.223 0.193 0.000 1.997 2 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 2 L C 1.999 178.910 176.870 0.069 0.000 1.074 2 L CA 2.669 57.585 54.840 0.126 0.000 0.763 2 L CB -0.326 41.792 42.059 0.100 0.000 0.890 2 L HN 0.377 nan 8.230 nan 0.000 0.434 3 T N -3.757 110.836 114.554 0.065 0.000 2.833 3 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 3 T C 1.671 176.402 174.700 0.052 0.000 1.054 3 T CA 1.289 63.418 62.100 0.048 0.000 1.135 3 T CB -0.307 68.584 68.868 0.038 0.000 0.869 3 T HN 0.415 nan 8.240 nan 0.000 0.466 4 E N 0.439 120.677 120.200 0.062 0.000 2.107 4 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 4 E C 2.105 178.734 176.600 0.048 0.000 0.982 4 E CA 0.620 57.055 56.400 0.057 0.000 0.809 4 E CB -0.146 29.594 29.700 0.067 0.000 0.756 4 E HN 0.399 nan 8.360 nan 0.000 0.459 5 L N 1.506 122.755 121.223 0.044 0.000 2.042 5 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 5 L C 2.341 179.208 176.870 -0.006 0.000 1.076 5 L CA 1.714 56.530 54.840 -0.040 0.000 0.749 5 L CB -0.241 41.676 42.059 -0.238 0.000 0.893 5 L HN -0.008 nan 8.230 nan 0.000 0.432 6 R N -0.314 120.234 120.500 0.079 0.000 2.073 6 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 6 R C 2.163 178.562 176.300 0.166 0.000 1.134 6 R CA 1.685 57.916 56.100 0.218 0.000 0.952 6 R CB -0.523 29.867 30.300 0.150 0.000 0.850 6 R HN 0.696 nan 8.270 nan 0.000 0.433 7 E N 0.986 121.236 120.200 0.083 0.000 2.077 7 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 7 E C 1.000 177.617 176.600 0.029 0.000 0.989 7 E CA 1.501 57.934 56.400 0.056 0.000 0.800 7 E CB -0.217 29.506 29.700 0.037 0.000 0.746 7 E HN 0.232 nan 8.360 nan 0.000 0.452 8 D N 1.280 121.683 120.400 0.004 0.000 2.117 8 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 8 D C 2.189 178.445 176.300 -0.075 0.000 0.987 8 D CA 1.166 55.148 54.000 -0.030 0.000 0.829 8 D CB -0.250 40.530 40.800 -0.033 0.000 0.961 8 D HN 0.341 nan 8.370 nan 0.000 0.460 9 I N 1.107 121.597 120.570 -0.135 0.000 2.315 9 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 9 I C 1.801 177.829 176.117 -0.148 0.000 1.117 9 I CA 0.873 62.005 61.300 -0.280 0.000 1.404 9 I CB -0.157 37.398 38.000 -0.741 0.000 1.071 9 I HN -0.172 nan 8.210 nan 0.000 0.419 10 D N 1.293 121.706 120.400 0.022 0.000 2.149 10 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 10 D C 2.218 178.535 176.300 0.028 0.000 0.990 10 D CA 1.707 55.763 54.000 0.092 0.000 0.839 10 D CB -0.089 40.782 40.800 0.118 0.000 0.948 10 D HN 0.393 nan 8.370 nan 0.000 0.460 11 A N 0.012 122.833 122.820 0.002 0.000 2.021 11 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 11 A C 2.303 179.874 177.584 -0.022 0.000 1.163 11 A CA 0.270 52.303 52.037 -0.005 0.000 0.676 11 A CB -0.336 18.660 19.000 -0.006 0.000 0.818 11 A HN 0.155 nan 8.150 nan 0.000 0.453 12 I N -0.305 120.238 120.570 -0.045 0.000 2.252 12 I HA -0.207 3.962 4.170 -0.000 0.000 0.245 12 I C 2.129 178.218 176.117 -0.047 0.000 1.102 12 I CA 0.960 62.226 61.300 -0.057 0.000 1.385 12 I CB -0.244 37.701 38.000 -0.092 0.000 1.064 12 I HN 0.249 nan 8.210 nan 0.000 0.414 13 L N 0.210 121.408 121.223 -0.041 0.000 2.265 13 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 13 L C 1.053 177.922 176.870 -0.001 0.000 1.117 13 L CA 0.689 55.519 54.840 -0.017 0.000 0.782 13 L CB -0.383 41.683 42.059 0.011 0.000 0.914 13 L HN 0.165 nan 8.230 nan 0.000 0.441 14 E N 1.361 121.561 120.200 0.000 0.000 2.467 14 E HA 0.027 4.377 4.350 -0.000 0.000 0.321 14 E C -0.559 176.038 176.600 -0.005 0.000 1.388 14 E CA 0.215 56.617 56.400 0.003 0.000 1.508 14 E CB -0.495 29.209 29.700 0.007 0.000 1.250 14 E HN 0.225 nan 8.360 nan 0.000 0.500 15 D N 1.052 121.446 120.400 -0.010 0.000 2.185 15 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 15 D C -1.583 174.713 176.300 -0.007 0.000 1.027 15 D CA -2.190 51.801 54.000 -0.015 0.000 0.861 15 D CB 2.183 42.966 40.800 -0.028 0.000 1.202 15 D HN -0.087 nan 8.370 nan 0.000 0.453 16 P HA -0.203 nan 4.420 nan 0.000 0.217 16 P C 0.947 178.250 177.300 0.005 0.000 1.158 16 P CA 1.272 64.373 63.100 0.001 0.000 0.887 16 P CB 0.046 31.745 31.700 -0.001 0.000 0.792 17 A N -1.661 121.156 122.820 -0.005 0.000 2.225 17 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 17 A C 1.829 179.416 177.584 0.005 0.000 1.164 17 A CA 1.017 53.051 52.037 -0.004 0.000 0.710 17 A CB -0.992 17.988 19.000 -0.033 0.000 0.780 17 A HN 0.123 nan 8.150 nan 0.000 0.473 18 L N -0.484 120.742 121.223 0.005 0.000 2.808 18 L HA 0.261 4.601 4.340 -0.000 0.000 0.246 18 L C -0.051 176.843 176.870 0.041 0.000 1.153 18 L CA -0.040 54.813 54.840 0.022 0.000 0.956 18 L CB 0.069 42.127 42.059 -0.003 0.000 1.270 18 L HN 0.108 nan 8.230 nan 0.000 0.528 19 E N 0.496 120.718 120.200 0.035 0.000 2.417 19 E HA 0.337 4.687 4.350 -0.000 0.000 0.261 19 E C 1.326 177.950 176.600 0.040 0.000 1.000 19 E CA 0.786 57.205 56.400 0.032 0.000 0.919 19 E CB 0.235 29.949 29.700 0.023 0.000 0.955 19 E HN 0.334 nan 8.360 nan 0.000 0.455 20 G N 2.105 110.925 108.800 0.034 0.000 2.184 20 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 20 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 20 G C 0.519 175.444 174.900 0.041 0.000 0.975 20 G CA 0.412 45.532 45.100 0.032 0.000 0.642 20 G HN 0.786 nan 8.290 nan 0.000 0.536 21 A N -1.062 121.794 122.820 0.059 0.000 2.242 21 A HA 0.886 5.206 4.320 -0.000 0.000 0.304 21 A C 0.084 177.707 177.584 0.066 0.000 1.100 21 A CA 0.093 52.179 52.037 0.081 0.000 0.860 21 A CB 1.539 20.627 19.000 0.145 0.000 1.168 21 A HN 1.160 nan 8.150 nan 0.000 0.503 22 V N 0.589 120.547 119.914 0.075 0.000 2.540 22 V HA 0.557 4.676 4.120 -0.000 0.000 0.302 22 V C -0.284 175.853 176.094 0.072 0.000 1.035 22 V CA -0.348 61.989 62.300 0.061 0.000 0.873 22 V CB 1.604 33.455 31.823 0.047 0.000 0.992 22 V HN 0.765 nan 8.190 nan 0.000 0.428 23 S N 2.792 118.530 115.700 0.064 0.000 2.707 23 S HA 0.573 5.043 4.470 -0.000 0.000 0.312 23 S C 0.314 174.959 174.600 0.075 0.000 1.116 23 S CA -0.544 57.695 58.200 0.066 0.000 1.078 23 S CB 1.623 64.856 63.200 0.054 0.000 0.997 23 S HN 1.069 nan 8.310 nan 0.000 0.477 24 G N 1.900 110.743 108.800 0.072 0.000 2.351 24 G HA2 0.501 4.461 3.960 -0.000 0.000 0.287 24 G HA3 0.501 4.461 3.960 -0.000 0.000 0.287 24 G C -0.670 174.292 174.900 0.103 0.000 1.159 24 G CA -0.256 44.892 45.100 0.080 0.000 0.929 24 G HN 0.589 nan 8.290 nan 0.000 0.435 25 V N 3.438 123.442 119.914 0.149 0.000 2.447 25 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 25 V C -0.434 175.822 176.094 0.269 0.000 1.021 25 V CA -0.679 61.738 62.300 0.196 0.000 0.850 25 V CB 1.681 33.620 31.823 0.195 0.000 1.005 25 V HN 0.539 nan 8.190 nan 0.000 0.426 26 V N 5.354 125.393 119.914 0.208 0.000 2.588 26 V HA 0.617 4.737 4.120 -0.000 0.000 0.304 26 V C -0.492 175.721 176.094 0.198 0.000 1.042 26 V CA -0.626 61.789 62.300 0.192 0.000 0.877 26 V CB 2.347 34.240 31.823 0.117 0.000 0.996 26 V HN 0.588 nan 8.190 nan 0.000 0.425 27 V N 5.167 125.198 119.914 0.195 0.000 2.487 27 V HA 0.655 4.775 4.120 -0.000 0.000 0.298 27 V C -0.487 175.683 176.094 0.127 0.000 1.028 27 V CA -0.577 61.822 62.300 0.164 0.000 0.860 27 V CB 2.013 33.895 31.823 0.099 0.000 0.991 27 V HN 0.590 nan 8.190 nan 0.000 0.427 28 V N 3.163 123.159 119.914 0.135 0.000 2.709 28 V HA 0.418 4.538 4.120 -0.000 0.000 0.308 28 V C -0.611 175.563 176.094 0.133 0.000 1.062 28 V CA -0.658 61.711 62.300 0.115 0.000 0.901 28 V CB 2.260 34.144 31.823 0.102 0.000 1.003 28 V HN 0.944 nan 8.190 nan 0.000 0.425 29 D N 2.766 123.237 120.400 0.118 0.000 2.317 29 D HA 0.129 4.769 4.640 -0.000 0.000 0.252 29 D C 0.970 177.332 176.300 0.103 0.000 1.174 29 D CA -0.002 54.073 54.000 0.124 0.000 0.866 29 D CB 2.002 42.875 40.800 0.122 0.000 1.127 29 D HN 0.618 nan 8.370 nan 0.000 0.467 30 T N 2.939 117.559 114.554 0.109 0.000 2.904 30 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 30 T C 1.743 176.474 174.700 0.053 0.000 1.059 30 T CA 1.045 63.197 62.100 0.085 0.000 1.137 30 T CB 0.120 69.043 68.868 0.091 0.000 0.879 30 T HN 0.544 nan 8.240 nan 0.000 0.467 31 A N 2.479 125.330 122.820 0.051 0.000 1.824 31 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 31 A C 2.698 180.301 177.584 0.032 0.000 1.209 31 A CA 2.382 54.439 52.037 0.033 0.000 0.614 31 A CB -1.476 17.542 19.000 0.031 0.000 0.852 31 A HN 0.571 nan 8.150 nan 0.000 0.447 32 T N -3.855 110.723 114.554 0.040 0.000 2.777 32 T HA 0.304 4.654 4.350 -0.000 0.000 0.266 32 T C 1.621 176.343 174.700 0.037 0.000 1.040 32 T CA 1.830 63.952 62.100 0.037 0.000 1.141 32 T CB -0.490 68.404 68.868 0.043 0.000 0.868 32 T HN 1.940 nan 8.240 nan 0.000 0.444 33 G N 0.788 109.617 108.800 0.048 0.000 2.184 33 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.206 33 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.206 33 G C -0.153 174.777 174.900 0.050 0.000 0.995 33 G CA 0.108 45.236 45.100 0.046 0.000 0.651 33 G HN 0.804 nan 8.290 nan 0.000 0.511 34 E N 0.865 121.099 120.200 0.057 0.000 2.413 34 E HA 0.273 4.623 4.350 -0.000 0.000 0.263 34 E C -0.054 176.582 176.600 0.060 0.000 1.015 34 E CA -0.137 56.297 56.400 0.056 0.000 0.916 34 E CB 0.333 30.072 29.700 0.065 0.000 0.947 34 E HN 0.345 nan 8.360 nan 0.000 0.440 35 E N 5.544 125.772 120.200 0.047 0.000 2.079 35 E HA 0.071 4.421 4.350 -0.000 0.000 0.252 35 E C 0.806 177.428 176.600 0.036 0.000 0.992 35 E CA -0.209 56.217 56.400 0.044 0.000 0.829 35 E CB 0.186 29.903 29.700 0.028 0.000 1.158 35 E HN 0.624 nan 8.360 nan 0.000 0.435 36 L N 3.275 124.524 121.223 0.044 0.000 2.012 36 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 36 L C 0.772 177.677 176.870 0.058 0.000 1.073 36 L CA 1.260 56.108 54.840 0.014 0.000 0.748 36 L CB -0.324 41.690 42.059 -0.075 0.000 0.891 36 L HN 0.476 nan 8.230 nan 0.000 0.431 37 Y N -0.779 119.488 120.300 -0.055 0.000 2.457 37 Y HA 0.494 5.044 4.550 -0.000 0.000 0.343 37 Y C -0.686 175.209 175.900 -0.009 0.000 0.994 37 Y CA -0.917 57.158 58.100 -0.042 0.000 1.031 37 Y CB 2.066 40.488 38.460 -0.062 0.000 1.246 37 Y HN -0.192 nan 8.280 nan 0.000 0.449 38 S N 6.633 122.109 115.700 -0.373 0.000 2.750 38 S HA 0.526 4.996 4.470 -0.000 0.000 0.276 38 S C -1.854 172.549 174.600 -0.328 0.000 1.165 38 S CA -0.711 57.376 58.200 -0.188 0.000 1.047 38 S CB 0.604 63.751 63.200 -0.088 0.000 1.056 38 S HN 0.830 nan 8.310 nan 0.000 0.481 39 R N 3.342 123.770 120.500 -0.120 0.000 2.513 39 R HA 0.322 4.662 4.340 -0.000 0.000 0.301 39 R C -0.852 175.467 176.300 0.031 0.000 0.968 39 R CA -0.286 55.780 56.100 -0.055 0.000 0.872 39 R CB 0.658 30.984 30.300 0.043 0.000 1.177 39 R HN 0.825 nan 8.270 nan 0.000 0.444 40 D N 3.013 123.418 120.400 0.008 0.000 2.751 40 D HA -0.171 4.468 4.640 -0.000 0.000 0.233 40 D C 0.817 177.136 176.300 0.032 0.000 1.149 40 D CA 1.212 55.226 54.000 0.022 0.000 0.682 40 D CB -0.760 40.062 40.800 0.035 0.000 1.068 40 D HN 0.956 nan 8.370 nan 0.000 0.429 41 G N 0.215 109.030 108.800 0.026 0.000 2.471 41 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.219 41 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.219 41 G C 1.476 176.398 174.900 0.035 0.000 1.125 41 G CA 0.913 46.036 45.100 0.038 0.000 0.775 41 G HN 0.471 nan 8.290 nan 0.000 0.548 42 G N -0.614 108.200 108.800 0.024 0.000 3.126 42 G HA2 0.279 4.239 3.960 -0.000 0.000 0.224 42 G HA3 0.279 4.239 3.960 -0.000 0.000 0.224 42 G C 0.224 175.135 174.900 0.018 0.000 1.142 42 G CA -0.246 44.867 45.100 0.021 0.000 0.759 42 G HN 0.340 nan 8.290 nan 0.000 0.550 43 E N 1.187 121.400 120.200 0.021 0.000 2.324 43 E HA 0.214 4.564 4.350 -0.000 0.000 0.271 43 E C 0.243 176.854 176.600 0.018 0.000 1.028 43 E CA -0.006 56.405 56.400 0.019 0.000 0.890 43 E CB 0.358 30.072 29.700 0.024 0.000 1.004 43 E HN 0.257 nan 8.360 nan 0.000 0.431 44 Q N 3.620 123.426 119.800 0.010 0.000 2.307 44 Q HA 0.326 4.666 4.340 -0.000 0.000 0.259 44 Q C -0.642 175.361 176.000 0.004 0.000 0.998 44 Q CA -0.003 55.801 55.803 0.002 0.000 0.923 44 Q CB 0.611 29.345 28.738 -0.007 0.000 1.196 44 Q HN 0.447 nan 8.270 nan 0.000 0.416 45 L N 2.434 123.661 121.223 0.006 0.000 2.371 45 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 45 L C -0.804 176.066 176.870 -0.001 0.000 1.006 45 L CA -1.254 53.592 54.840 0.010 0.000 0.818 45 L CB 1.355 43.430 42.059 0.027 0.000 1.354 45 L HN 0.402 nan 8.230 nan 0.000 0.415 46 L N 3.947 125.167 121.223 -0.005 0.000 2.513 46 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 46 L C -1.413 175.455 176.870 -0.003 0.000 1.187 46 L CA -0.412 54.418 54.840 -0.016 0.000 0.895 46 L CB 0.129 42.171 42.059 -0.030 0.000 1.147 46 L HN 0.425 nan 8.230 nan 0.000 0.483 47 P HA 0.045 nan 4.420 nan 0.000 0.239 47 P C 0.797 178.099 177.300 0.004 0.000 1.188 47 P CA 0.901 64.014 63.100 0.022 0.000 0.794 47 P CB 0.450 32.182 31.700 0.054 0.000 0.937 48 A N 0.945 123.750 122.820 -0.025 0.000 5.476 48 A HA -0.301 4.019 4.320 -0.000 0.000 0.327 48 A C 1.860 179.428 177.584 -0.026 0.000 1.778 48 A CA 2.252 54.258 52.037 -0.053 0.000 0.721 48 A CB -2.384 16.571 19.000 -0.075 0.000 1.388 48 A HN 0.223 nan 8.150 nan 0.000 0.397 49 S N 0.878 116.551 115.700 -0.045 0.000 2.603 49 S HA -0.032 4.438 4.470 -0.000 0.000 0.229 49 S C 1.283 175.872 174.600 -0.019 0.000 0.972 49 S CA 0.998 59.180 58.200 -0.030 0.000 0.935 49 S CB -0.632 62.529 63.200 -0.065 0.000 0.769 49 S HN 0.609 nan 8.310 nan 0.000 0.536 50 N N 1.604 120.301 118.700 -0.003 0.000 2.443 50 N HA 0.003 4.743 4.740 -0.000 0.000 0.184 50 N C 1.397 177.006 175.510 0.165 0.000 1.037 50 N CA 0.453 53.518 53.050 0.025 0.000 0.896 50 N CB -0.337 38.166 38.487 0.027 0.000 0.959 50 N HN 0.267 nan 8.380 nan 0.000 0.442 51 M N 0.971 120.680 119.600 0.183 0.000 2.267 51 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 51 M C 1.278 177.765 176.300 0.313 0.000 1.063 51 M CA 1.457 56.929 55.300 0.287 0.000 1.090 51 M CB -0.055 32.636 32.600 0.151 0.000 1.392 51 M HN -0.059 nan 8.290 nan 0.000 0.422 52 K N -0.530 119.981 120.400 0.185 0.000 2.280 52 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 52 K C 1.805 178.490 176.600 0.142 0.000 1.047 52 K CA 1.058 57.451 56.287 0.176 0.000 0.942 52 K CB -0.342 32.141 32.500 -0.028 0.000 0.739 52 K HN 0.397 nan 8.250 nan 0.000 0.457 53 L N -0.303 120.968 121.223 0.081 0.000 2.017 53 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 53 L C 2.086 179.075 176.870 0.197 0.000 1.073 53 L CA 1.428 56.312 54.840 0.073 0.000 0.745 53 L CB -0.425 41.567 42.059 -0.112 0.000 0.894 53 L HN 0.087 nan 8.230 nan 0.000 0.432 54 F N -0.292 119.786 119.950 0.213 0.000 2.113 54 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 54 F C 2.674 178.574 175.800 0.168 0.000 1.103 54 F CA 1.613 59.713 58.000 0.168 0.000 1.248 54 F CB -1.232 37.835 39.000 0.111 0.000 0.999 54 F HN -0.021 nan 8.300 nan 0.000 0.475 55 T N 0.307 115.088 114.554 0.378 0.000 2.607 55 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 55 T C 2.311 177.181 174.700 0.283 0.000 1.049 55 T CA 1.642 63.925 62.100 0.304 0.000 1.162 55 T CB -0.943 68.136 68.868 0.352 0.000 0.863 55 T HN 0.309 nan 8.240 nan 0.000 0.424 56 A N 1.730 124.784 122.820 0.390 0.000 1.884 56 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 56 A C 2.699 180.380 177.584 0.162 0.000 1.197 56 A CA 2.395 54.661 52.037 0.382 0.000 0.637 56 A CB -1.355 17.898 19.000 0.423 0.000 0.827 56 A HN 0.569 nan 8.150 nan 0.000 0.450 57 A N -0.545 122.372 122.820 0.162 0.000 1.940 57 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 57 A C 2.454 179.894 177.584 -0.240 0.000 1.176 57 A CA 2.298 54.187 52.037 -0.246 0.000 0.631 57 A CB -0.908 17.983 19.000 -0.181 0.000 0.814 57 A HN 1.185 nan 8.150 nan 0.000 0.446 58 A N -0.790 122.009 122.820 -0.035 0.000 2.016 58 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 58 A C 2.327 179.871 177.584 -0.066 0.000 1.162 58 A CA 1.472 53.502 52.037 -0.013 0.000 0.662 58 A CB -0.613 18.425 19.000 0.063 0.000 0.812 58 A HN 0.941 nan 8.150 nan 0.000 0.450 59 A N -0.484 122.294 122.820 -0.071 0.000 2.016 59 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 59 A C 2.023 179.507 177.584 -0.167 0.000 1.162 59 A CA 0.993 52.988 52.037 -0.070 0.000 0.662 59 A CB -0.365 18.642 19.000 0.012 0.000 0.812 59 A HN 0.427 nan 8.150 nan 0.000 0.450 60 L N -1.161 119.844 121.223 -0.363 0.000 2.131 60 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 60 L C 2.518 179.089 176.870 -0.498 0.000 1.087 60 L CA 1.432 55.908 54.840 -0.606 0.000 0.767 60 L CB -0.240 41.015 42.059 -1.340 0.000 0.917 60 L HN 0.422 nan 8.230 nan 0.000 0.441 61 E N -0.111 119.873 120.200 -0.361 0.000 2.047 61 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 61 E C 2.093 178.694 176.600 0.002 0.000 0.987 61 E CA 1.324 57.736 56.400 0.020 0.000 0.799 61 E CB 0.036 29.803 29.700 0.112 0.000 0.752 61 E HN 0.150 nan 8.360 nan 0.000 0.449 62 V N 0.148 120.032 119.914 -0.050 0.000 2.346 62 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 62 V C 2.210 178.253 176.094 -0.085 0.000 1.037 62 V CA 1.472 63.744 62.300 -0.046 0.000 1.029 62 V CB -0.276 31.519 31.823 -0.046 0.000 0.663 62 V HN 0.288 nan 8.190 nan 0.000 0.454 63 L N -0.542 120.596 121.223 -0.141 0.000 2.354 63 L HA 0.470 4.810 4.340 -0.000 0.000 0.212 63 L C 1.093 177.895 176.870 -0.113 0.000 1.091 63 L CA 0.761 55.449 54.840 -0.253 0.000 0.828 63 L CB -0.357 41.461 42.059 -0.402 0.000 0.973 63 L HN 0.531 nan 8.230 nan 0.000 0.461 64 G N -0.564 108.196 108.800 -0.067 0.000 2.719 64 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 64 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 64 G C 0.470 175.380 174.900 0.017 0.000 1.201 64 G CA -0.355 44.747 45.100 0.004 0.000 0.768 64 G HN 0.169 nan 8.290 nan 0.000 0.629 65 A N 0.337 123.189 122.820 0.053 0.000 2.125 65 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 65 A C 1.935 179.559 177.584 0.067 0.000 1.156 65 A CA 2.349 54.433 52.037 0.078 0.000 0.671 65 A CB -0.285 18.802 19.000 0.145 0.000 0.794 65 A HN 1.392 nan 8.150 nan 0.000 0.459 66 D N -2.067 118.365 120.400 0.054 0.000 2.339 66 D HA 0.050 4.690 4.640 -0.000 0.000 0.217 66 D C 0.555 176.838 176.300 -0.028 0.000 1.050 66 D CA -0.222 53.789 54.000 0.018 0.000 0.856 66 D CB -0.858 39.952 40.800 0.017 0.000 0.922 66 D HN 0.527 nan 8.370 nan 0.000 0.518 67 H N 0.889 119.881 119.070 -0.130 0.000 2.848 67 H HA 0.353 4.908 4.556 -0.000 0.000 0.341 67 H C -0.004 175.081 175.328 -0.404 0.000 1.060 67 H CA 0.177 56.066 56.048 -0.264 0.000 1.444 67 H CB 0.626 30.213 29.762 -0.291 0.000 1.446 67 H HN 0.080 nan 8.280 nan 0.000 0.583 68 S N 3.593 118.714 115.700 -0.965 0.000 2.599 68 S HA 0.614 5.084 4.470 -0.000 0.000 0.287 68 S C -1.284 172.702 174.600 -1.024 0.000 1.105 68 S CA -0.972 56.773 58.200 -0.758 0.000 0.899 68 S CB 1.393 64.353 63.200 -0.401 0.000 1.100 68 S HN 0.395 nan 8.310 nan 0.000 0.482 69 F N 0.279 120.085 119.950 -0.239 0.000 2.495 69 F HA 0.743 5.270 4.527 -0.000 0.000 0.327 69 F C 0.883 176.559 175.800 -0.207 0.000 1.103 69 F CA -0.502 57.380 58.000 -0.196 0.000 0.949 69 F CB 2.188 41.126 39.000 -0.103 0.000 1.142 69 F HN 0.965 nan 8.300 nan 0.000 0.457 70 G N 0.629 109.384 108.800 -0.076 0.000 2.417 70 G HA2 0.654 4.613 3.960 -0.000 0.000 0.334 70 G HA3 0.654 4.613 3.960 -0.000 0.000 0.334 70 G C -1.246 173.579 174.900 -0.124 0.000 1.150 70 G CA -0.598 44.422 45.100 -0.132 0.000 0.923 70 G HN 0.536 nan 8.290 nan 0.000 0.485 71 T N 0.597 115.105 114.554 -0.078 0.000 2.900 71 T HA 0.623 4.973 4.350 -0.000 0.000 0.295 71 T C -0.819 173.828 174.700 -0.089 0.000 1.044 71 T CA -0.535 61.509 62.100 -0.093 0.000 0.995 71 T CB 2.450 71.283 68.868 -0.058 0.000 1.072 71 T HN 0.528 nan 8.240 nan 0.000 0.473 72 E N 0.802 120.932 120.200 -0.116 0.000 2.356 72 E HA 0.602 4.952 4.350 -0.000 0.000 0.275 72 E C -1.492 175.060 176.600 -0.081 0.000 0.904 72 E CA -0.822 55.529 56.400 -0.082 0.000 0.757 72 E CB 2.338 31.993 29.700 -0.076 0.000 1.232 72 E HN 0.322 nan 8.360 nan 0.000 0.442 73 V N 1.759 121.656 119.914 -0.028 0.000 2.378 73 V HA 0.676 4.796 4.120 -0.000 0.000 0.288 73 V C -0.407 175.756 176.094 0.115 0.000 1.016 73 V CA -0.651 61.670 62.300 0.035 0.000 0.840 73 V CB 1.083 32.954 31.823 0.079 0.000 0.994 73 V HN 0.703 nan 8.190 nan 0.000 0.431 74 A N 4.048 126.983 122.820 0.192 0.000 2.330 74 A HA 0.997 5.317 4.320 -0.000 0.000 0.327 74 A C -0.027 177.797 177.584 0.401 0.000 1.155 74 A CA -0.160 52.029 52.037 0.253 0.000 0.803 74 A CB 1.559 20.703 19.000 0.241 0.000 1.208 74 A HN 1.301 nan 8.150 nan 0.000 0.477 75 A N 0.659 123.649 122.820 0.284 0.000 2.435 75 A HA 0.696 5.016 4.320 -0.000 0.000 0.296 75 A C 0.646 178.107 177.584 -0.206 0.000 1.147 75 A CA -0.140 52.017 52.037 0.200 0.000 0.775 75 A CB 0.991 20.050 19.000 0.099 0.000 1.340 75 A HN 0.890 nan 8.150 nan 0.000 0.427 76 E N -0.183 119.573 120.200 -0.741 0.000 2.158 76 E HA 0.067 4.416 4.350 -0.000 0.000 0.191 76 E C -0.031 176.239 176.600 -0.551 0.000 0.982 76 E CA 1.003 56.650 56.400 -1.255 0.000 0.823 76 E CB 0.169 28.927 29.700 -1.570 0.000 0.766 76 E HN 0.593 nan 8.360 nan 0.000 0.468 77 S N -0.987 114.521 115.700 -0.320 0.000 2.661 77 S HA 0.612 5.082 4.470 -0.000 0.000 0.285 77 S C -0.859 173.681 174.600 -0.101 0.000 1.138 77 S CA -0.538 57.554 58.200 -0.180 0.000 0.855 77 S CB 1.741 64.850 63.200 -0.152 0.000 1.136 77 S HN 0.334 nan 8.310 nan 0.000 0.484 78 A N 2.509 125.290 122.820 -0.066 0.000 2.492 78 A HA 0.466 4.785 4.320 -0.000 0.000 0.236 78 A C -2.295 175.271 177.584 -0.030 0.000 1.078 78 A CA -0.714 51.302 52.037 -0.035 0.000 0.773 78 A CB -0.955 18.029 19.000 -0.027 0.000 1.023 78 A HN 0.531 nan 8.150 nan 0.000 0.504 79 P HA 0.079 nan 4.420 nan 0.000 0.264 79 P C 0.646 177.938 177.300 -0.014 0.000 1.183 79 P CA 0.716 63.811 63.100 -0.009 0.000 0.763 79 P CB 0.186 31.886 31.700 -0.001 0.000 0.807 80 G N 2.920 111.711 108.800 -0.014 0.000 2.486 80 G HA2 0.008 3.968 3.960 -0.000 0.000 0.272 80 G HA3 0.008 3.968 3.960 -0.000 0.000 0.272 80 G C 1.104 175.998 174.900 -0.010 0.000 1.426 80 G CA -0.485 44.606 45.100 -0.014 0.000 1.058 80 G HN 0.404 nan 8.290 nan 0.000 0.531 81 R N -0.877 119.617 120.500 -0.009 0.000 2.148 81 R HA 0.008 4.348 4.340 -0.000 0.000 0.227 81 R C 2.062 178.358 176.300 -0.006 0.000 1.103 81 R CA 0.797 56.892 56.100 -0.008 0.000 0.983 81 R CB -0.010 30.286 30.300 -0.007 0.000 0.874 81 R HN 0.291 nan 8.270 nan 0.000 0.451 82 R N -0.255 120.242 120.500 -0.005 0.000 2.466 82 R HA 0.111 4.451 4.340 -0.000 0.000 0.279 82 R C 0.343 176.641 176.300 -0.005 0.000 0.976 82 R CA 0.340 56.437 56.100 -0.005 0.000 1.081 82 R CB 0.982 31.279 30.300 -0.004 0.000 1.215 82 R HN 0.330 nan 8.270 nan 0.000 0.546 83 G N 2.207 111.004 108.800 -0.005 0.000 2.176 83 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.252 83 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.252 83 G C -0.238 174.661 174.900 -0.002 0.000 1.024 83 G CA 0.511 45.609 45.100 -0.004 0.000 0.755 83 G HN 0.432 nan 8.290 nan 0.000 0.507 84 E N 0.040 120.240 120.200 -0.001 0.000 2.179 84 E HA 0.666 5.015 4.350 -0.000 0.000 0.275 84 E C 0.162 176.767 176.600 0.008 0.000 0.945 84 E CA -0.393 56.009 56.400 0.003 0.000 0.792 84 E CB 2.118 31.820 29.700 0.003 0.000 1.125 84 E HN 0.992 nan 8.360 nan 0.000 0.397 85 V N 0.538 120.464 119.914 0.019 0.000 3.019 85 V HA 0.403 4.523 4.120 -0.000 0.000 0.317 85 V C 0.698 176.821 176.094 0.048 0.000 1.094 85 V CA -0.783 61.536 62.300 0.031 0.000 1.000 85 V CB 1.553 33.408 31.823 0.052 0.000 1.060 85 V HN 0.695 nan 8.190 nan 0.000 0.443 86 Q N 0.869 120.711 119.800 0.070 0.000 1.714 86 Q HA 0.218 4.558 4.340 -0.000 0.000 0.383 86 Q C 0.199 176.285 176.000 0.143 0.000 0.936 86 Q CA 1.385 57.249 55.803 0.101 0.000 0.888 86 Q CB -0.217 28.593 28.738 0.121 0.000 0.973 86 Q HN 0.941 nan 8.270 nan 0.000 0.420 87 D N -0.124 120.426 120.400 0.251 0.000 2.312 87 D HA 0.361 5.001 4.640 -0.000 0.000 0.248 87 D C -0.661 175.839 176.300 0.333 0.000 1.086 87 D CA -0.139 54.035 54.000 0.291 0.000 0.948 87 D CB 0.899 41.975 40.800 0.459 0.000 1.162 87 D HN 0.213 nan 8.370 nan 0.000 0.446 88 L N 1.185 122.529 121.223 0.203 0.000 2.422 88 L HA 0.378 4.718 4.340 -0.000 0.000 0.264 88 L C -1.586 175.352 176.870 0.113 0.000 0.984 88 L CA -0.826 54.163 54.840 0.249 0.000 0.819 88 L CB 1.677 43.843 42.059 0.178 0.000 1.330 88 L HN 0.368 nan 8.230 nan 0.000 0.410 89 Y N 3.516 123.957 120.300 0.236 0.000 2.331 89 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 89 Y C -0.269 175.667 175.900 0.061 0.000 0.960 89 Y CA -0.557 57.634 58.100 0.151 0.000 1.130 89 Y CB 2.066 40.565 38.460 0.066 0.000 1.164 89 Y HN 0.336 nan 8.280 nan 0.000 0.458 90 L N 5.492 126.778 121.223 0.104 0.000 2.261 90 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 90 L C -1.125 175.721 176.870 -0.040 0.000 1.059 90 L CA -0.377 54.404 54.840 -0.100 0.000 0.816 90 L CB 0.412 42.305 42.059 -0.277 0.000 1.191 90 L HN 0.397 nan 8.230 nan 0.000 0.431 91 V N 5.212 125.085 119.914 -0.068 0.000 2.334 91 V HA 0.643 4.763 4.120 -0.000 0.000 0.281 91 V C 0.721 176.734 176.094 -0.135 0.000 1.016 91 V CA -0.423 61.836 62.300 -0.067 0.000 0.832 91 V CB 0.967 32.753 31.823 -0.062 0.000 0.999 91 V HN 0.874 nan 8.190 nan 0.000 0.439 92 G N 3.689 112.406 108.800 -0.139 0.000 2.332 92 G HA2 0.557 4.517 3.960 -0.000 0.000 0.310 92 G HA3 0.557 4.517 3.960 -0.000 0.000 0.310 92 G C 0.040 174.777 174.900 -0.270 0.000 1.123 92 G CA -0.677 44.313 45.100 -0.183 0.000 0.873 92 G HN 0.669 nan 8.290 nan 0.000 0.460 93 R N 1.713 121.992 120.500 -0.369 0.000 2.997 93 R HA 0.337 4.677 4.340 -0.000 0.000 0.358 93 R C 1.017 177.100 176.300 -0.362 0.000 1.191 93 R CA 0.200 55.896 56.100 -0.674 0.000 1.113 93 R CB 0.818 30.449 30.300 -1.116 0.000 1.433 93 R HN 0.970 nan 8.270 nan 0.000 0.584 94 G N 1.018 109.623 108.800 -0.325 0.000 2.131 94 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.223 94 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.223 94 G C -0.308 174.365 174.900 -0.378 0.000 0.990 94 G CA -0.139 44.803 45.100 -0.264 0.000 0.671 94 G HN 0.442 nan 8.290 nan 0.000 0.521 95 D N 1.048 121.309 120.400 -0.232 0.000 2.363 95 D HA 0.351 4.991 4.640 -0.000 0.000 0.263 95 D C -0.494 175.649 176.300 -0.262 0.000 1.258 95 D CA -1.607 52.258 54.000 -0.224 0.000 0.907 95 D CB 1.141 41.926 40.800 -0.025 0.000 1.107 95 D HN 0.211 nan 8.370 nan 0.000 0.495 96 P HA 0.048 nan 4.420 nan 0.000 0.253 96 P C 0.198 177.373 177.300 -0.208 0.000 1.260 96 P CA 0.368 63.277 63.100 -0.318 0.000 0.800 96 P CB 0.034 31.346 31.700 -0.647 0.000 1.162 97 T N -3.951 110.462 114.554 -0.234 0.000 3.516 97 T HA 0.230 4.580 4.350 -0.000 0.000 0.300 97 T C -0.023 174.648 174.700 -0.049 0.000 0.995 97 T CA -0.405 61.493 62.100 -0.337 0.000 0.982 97 T CB -0.587 67.688 68.868 -0.987 0.000 1.199 97 T HN -0.056 nan 8.240 nan 0.000 0.481 98 L N 3.755 124.994 121.223 0.026 0.000 2.315 98 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 98 L C 0.440 177.351 176.870 0.069 0.000 1.089 98 L CA -0.206 54.648 54.840 0.022 0.000 0.833 98 L CB 0.934 42.982 42.059 -0.018 0.000 1.170 98 L HN 0.611 nan 8.230 nan 0.000 0.442 99 S N 3.120 118.852 115.700 0.055 0.000 2.713 99 S HA 0.467 4.937 4.470 -0.000 0.000 0.283 99 S C 1.031 175.642 174.600 0.019 0.000 1.161 99 S CA -0.178 58.069 58.200 0.078 0.000 0.999 99 S CB 1.789 65.055 63.200 0.110 0.000 1.039 99 S HN 0.680 nan 8.310 nan 0.000 0.548 100 A N 0.534 123.375 122.820 0.036 0.000 1.972 100 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 100 A C 2.001 179.593 177.584 0.014 0.000 1.169 100 A CA 1.487 53.542 52.037 0.030 0.000 0.635 100 A CB -1.018 18.006 19.000 0.040 0.000 0.810 100 A HN 0.934 nan 8.150 nan 0.000 0.446 101 E N -0.063 120.140 120.200 0.004 0.000 2.110 101 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 101 E C 1.202 177.783 176.600 -0.031 0.000 0.988 101 E CA 1.186 57.585 56.400 -0.002 0.000 0.804 101 E CB -0.218 29.487 29.700 0.008 0.000 0.745 101 E HN 0.582 nan 8.360 nan 0.000 0.458 102 D N 0.820 121.163 120.400 -0.095 0.000 2.149 102 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 102 D C 2.155 178.364 176.300 -0.150 0.000 0.972 102 D CA 0.627 54.473 54.000 -0.257 0.000 0.835 102 D CB -0.152 40.303 40.800 -0.576 0.000 0.966 102 D HN 0.160 nan 8.370 nan 0.000 0.476 103 L N 0.654 121.846 121.223 -0.051 0.000 2.046 103 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 103 L C 2.218 179.205 176.870 0.196 0.000 1.077 103 L CA 1.340 56.242 54.840 0.103 0.000 0.747 103 L CB -0.365 41.785 42.059 0.151 0.000 0.896 103 L HN -0.014 nan 8.230 nan 0.000 0.432 104 D N -0.091 120.359 120.400 0.083 0.000 2.117 104 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 104 D C 2.166 178.500 176.300 0.056 0.000 0.987 104 D CA 1.305 55.336 54.000 0.052 0.000 0.829 104 D CB 0.140 40.950 40.800 0.016 0.000 0.961 104 D HN 0.251 nan 8.370 nan 0.000 0.460 105 A N 0.007 122.854 122.820 0.045 0.000 1.933 105 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 105 A C 2.326 179.959 177.584 0.082 0.000 1.175 105 A CA 1.401 53.468 52.037 0.049 0.000 0.628 105 A CB -0.616 18.409 19.000 0.041 0.000 0.814 105 A HN 0.338 nan 8.150 nan 0.000 0.444 106 M N -0.855 118.813 119.600 0.114 0.000 2.200 106 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 106 M C 2.515 178.983 176.300 0.282 0.000 1.066 106 M CA 1.160 56.560 55.300 0.167 0.000 1.127 106 M CB -0.335 32.327 32.600 0.103 0.000 1.379 106 M HN 0.501 nan 8.290 nan 0.000 0.420 107 A N 0.443 123.458 122.820 0.326 0.000 1.902 107 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 107 A C 2.328 179.926 177.584 0.024 0.000 1.181 107 A CA 1.876 53.961 52.037 0.080 0.000 0.623 107 A CB -0.852 18.055 19.000 -0.156 0.000 0.818 107 A HN 0.494 nan 8.150 nan 0.000 0.443 108 A N -0.292 122.550 122.820 0.036 0.000 1.933 108 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 108 A C 1.915 179.520 177.584 0.034 0.000 1.175 108 A CA 1.585 53.634 52.037 0.021 0.000 0.628 108 A CB -0.477 18.535 19.000 0.020 0.000 0.814 108 A HN 0.638 nan 8.150 nan 0.000 0.444 109 E N -0.416 119.820 120.200 0.060 0.000 2.150 109 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 109 E C 1.944 178.579 176.600 0.059 0.000 0.985 109 E CA 1.110 57.545 56.400 0.058 0.000 0.814 109 E CB -0.169 29.573 29.700 0.069 0.000 0.752 109 E HN 0.437 nan 8.360 nan 0.000 0.466 110 V N 1.295 121.257 119.914 0.080 0.000 2.358 110 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 110 V C 2.342 178.457 176.094 0.035 0.000 1.047 110 V CA 1.762 64.107 62.300 0.075 0.000 1.035 110 V CB -0.591 31.299 31.823 0.112 0.000 0.658 110 V HN 0.283 nan 8.190 nan 0.000 0.452 111 A N -0.006 122.823 122.820 0.015 0.000 1.933 111 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 111 A C 2.253 179.840 177.584 0.004 0.000 1.175 111 A CA 1.956 53.992 52.037 -0.002 0.000 0.628 111 A CB -0.583 18.408 19.000 -0.015 0.000 0.814 111 A HN 0.586 nan 8.150 nan 0.000 0.444 112 A N -1.342 121.485 122.820 0.011 0.000 2.208 112 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 112 A C 2.091 179.682 177.584 0.012 0.000 1.161 112 A CA 1.160 53.204 52.037 0.010 0.000 0.782 112 A CB -0.415 18.592 19.000 0.012 0.000 0.816 112 A HN 0.357 nan 8.150 nan 0.000 0.477 113 S N -1.415 114.296 115.700 0.018 0.000 2.489 113 S HA 0.274 4.743 4.470 -0.000 0.000 0.228 113 S C 1.490 176.096 174.600 0.010 0.000 0.995 113 S CA 1.076 59.286 58.200 0.017 0.000 0.934 113 S CB 0.030 63.246 63.200 0.027 0.000 0.771 113 S HN 1.472 nan 8.310 nan 0.000 0.522 114 G N 0.139 108.944 108.800 0.008 0.000 2.192 114 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.193 114 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.193 114 G C 0.007 174.909 174.900 0.002 0.000 0.999 114 G CA -0.185 44.917 45.100 0.003 0.000 0.659 114 G HN 0.340 nan 8.290 nan 0.000 0.503 115 V N 1.202 121.120 119.914 0.007 0.000 2.488 115 V HA 0.517 4.637 4.120 -0.000 0.000 0.277 115 V C 1.414 177.504 176.094 -0.006 0.000 1.046 115 V CA 0.766 63.069 62.300 0.005 0.000 0.986 115 V CB 1.386 33.219 31.823 0.017 0.000 0.989 115 V HN 0.416 nan 8.190 nan 0.000 0.475 116 R N 2.596 123.091 120.500 -0.009 0.000 2.310 116 R HA 0.210 4.550 4.340 -0.000 0.000 0.199 116 R C 0.026 176.313 176.300 -0.021 0.000 0.891 116 R CA 0.409 56.499 56.100 -0.016 0.000 1.060 116 R CB 0.831 31.124 30.300 -0.013 0.000 1.188 116 R HN 0.733 nan 8.270 nan 0.000 0.607 117 T N 0.599 115.145 114.554 -0.014 0.000 2.921 117 T HA 0.349 4.699 4.350 -0.000 0.000 0.297 117 T C -1.264 173.433 174.700 -0.006 0.000 1.013 117 T CA -0.483 61.608 62.100 -0.014 0.000 0.990 117 T CB 2.559 71.421 68.868 -0.010 0.000 1.023 117 T HN -0.199 nan 8.240 nan 0.000 0.447 118 V N 4.481 124.388 119.914 -0.012 0.000 2.318 118 V HA 0.298 4.418 4.120 -0.000 0.000 0.271 118 V C 1.321 177.414 176.094 -0.001 0.000 1.030 118 V CA -0.420 61.882 62.300 0.002 0.000 0.844 118 V CB 0.856 32.676 31.823 -0.006 0.000 1.015 118 V HN 0.789 nan 8.190 nan 0.000 0.460 119 R N 2.730 123.238 120.500 0.014 0.000 2.153 119 R HA 0.115 4.455 4.340 -0.000 0.000 0.218 119 R C 1.446 177.756 176.300 0.016 0.000 1.072 119 R CA 0.927 57.035 56.100 0.013 0.000 0.990 119 R CB 0.313 30.624 30.300 0.019 0.000 0.889 119 R HN 0.801 nan 8.270 nan 0.000 0.452 120 G N 0.077 108.894 108.800 0.029 0.000 3.134 120 G HA2 0.102 4.062 3.960 -0.000 0.000 0.158 120 G HA3 0.102 4.062 3.960 -0.000 0.000 0.158 120 G C -0.680 174.203 174.900 -0.027 0.000 1.334 120 G CA -0.442 44.676 45.100 0.030 0.000 1.001 120 G HN -0.022 nan 8.290 nan 0.000 0.600 121 D N -0.103 120.260 120.400 -0.062 0.000 2.217 121 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 121 D C -0.835 175.249 176.300 -0.359 0.000 1.008 121 D CA -0.307 53.523 54.000 -0.282 0.000 0.914 121 D CB 2.626 43.102 40.800 -0.540 0.000 1.182 121 D HN 0.100 nan 8.370 nan 0.000 0.451 122 L N 2.330 123.313 121.223 -0.400 0.000 2.272 122 L HA 0.287 4.627 4.340 -0.000 0.000 0.289 122 L C -1.540 175.043 176.870 -0.478 0.000 1.032 122 L CA -0.366 54.294 54.840 -0.299 0.000 0.810 122 L CB 0.184 42.172 42.059 -0.117 0.000 1.205 122 L HN 0.200 nan 8.230 nan 0.000 0.422 123 Y N 3.646 123.764 120.300 -0.302 0.000 2.377 123 Y HA 0.688 5.238 4.550 -0.000 0.000 0.339 123 Y C 0.394 176.215 175.900 -0.132 0.000 1.011 123 Y CA -0.731 57.185 58.100 -0.307 0.000 1.093 123 Y CB 1.861 39.900 38.460 -0.702 0.000 1.201 123 Y HN 0.703 nan 8.280 nan 0.000 0.455 124 A N 2.739 125.626 122.820 0.112 0.000 2.260 124 A HA 0.282 4.602 4.320 -0.000 0.000 0.312 124 A C -0.726 176.930 177.584 0.119 0.000 1.321 124 A CA -0.548 51.537 52.037 0.080 0.000 0.928 124 A CB -0.087 18.936 19.000 0.037 0.000 1.158 124 A HN 0.655 nan 8.150 nan 0.000 0.542 125 D N 2.992 123.467 120.400 0.124 0.000 2.396 125 D HA 0.205 4.845 4.640 -0.000 0.000 0.225 125 D C -0.543 175.775 176.300 0.030 0.000 1.121 125 D CA -0.210 53.853 54.000 0.105 0.000 0.853 125 D CB 1.031 41.907 40.800 0.127 0.000 1.043 125 D HN 0.540 nan 8.370 nan 0.000 0.500 126 D N 1.524 121.941 120.400 0.027 0.000 2.670 126 D HA -0.048 4.592 4.640 -0.000 0.000 0.255 126 D C 1.113 177.429 176.300 0.026 0.000 1.286 126 D CA -0.248 53.751 54.000 -0.001 0.000 0.830 126 D CB -0.199 40.599 40.800 -0.002 0.000 1.065 126 D HN 0.275 nan 8.370 nan 0.000 0.486 127 T N -4.419 110.164 114.554 0.047 0.000 3.118 127 T HA -0.114 4.236 4.350 -0.000 0.000 0.260 127 T C 1.459 176.227 174.700 0.114 0.000 1.139 127 T CA -0.152 61.983 62.100 0.059 0.000 1.085 127 T CB -0.832 68.052 68.868 0.026 0.000 0.934 127 T HN 0.407 nan 8.240 nan 0.000 0.518 128 W N 1.315 122.547 121.300 -0.113 0.000 2.325 128 W HA 0.044 4.704 4.660 0.000 0.000 0.299 128 W C -0.230 176.338 176.519 0.080 0.000 1.215 128 W CA 0.426 57.705 57.345 -0.110 0.000 1.244 128 W CB -0.069 29.219 29.460 -0.286 0.000 1.140 128 W HN 0.260 nan 8.180 nan 0.000 0.523 129 F N 1.093 121.028 119.950 -0.024 0.000 2.557 129 F HA 0.118 4.645 4.527 -0.000 0.000 0.336 129 F C 0.740 176.461 175.800 -0.131 0.000 1.058 129 F CA -1.604 56.295 58.000 -0.169 0.000 0.988 129 F CB 0.543 39.445 39.000 -0.163 0.000 1.275 129 F HN -0.257 nan 8.300 nan 0.000 0.488 130 D N -0.860 119.561 120.400 0.035 0.000 2.398 130 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 130 D C 0.425 176.729 176.300 0.007 0.000 1.227 130 D CA -0.501 53.493 54.000 -0.010 0.000 0.980 130 D CB 0.851 41.617 40.800 -0.057 0.000 1.106 130 D HN 0.418 nan 8.370 nan 0.000 0.493 131 S N -2.146 113.561 115.700 0.013 0.000 2.614 131 S HA 0.026 4.496 4.470 -0.000 0.000 0.230 131 S C 0.433 175.057 174.600 0.040 0.000 0.952 131 S CA -0.616 57.604 58.200 0.033 0.000 0.949 131 S CB -0.584 62.638 63.200 0.037 0.000 0.786 131 S HN 0.555 nan 8.310 nan 0.000 0.478 132 E N 1.652 121.869 120.200 0.027 0.000 2.070 132 E HA 0.175 4.524 4.350 -0.000 0.000 0.282 132 E C 0.617 177.300 176.600 0.139 0.000 1.104 132 E CA -0.516 55.941 56.400 0.095 0.000 0.876 132 E CB 0.358 30.148 29.700 0.150 0.000 1.055 132 E HN 0.182 nan 8.360 nan 0.000 0.401 133 R N 2.850 123.445 120.500 0.159 0.000 2.127 133 R HA 0.167 4.507 4.340 -0.000 0.000 0.217 133 R C 0.385 176.863 176.300 0.296 0.000 1.074 133 R CA 0.693 56.907 56.100 0.190 0.000 0.991 133 R CB -0.205 30.186 30.300 0.150 0.000 0.895 133 R HN 0.448 nan 8.270 nan 0.000 0.450 134 L N -0.529 120.798 121.223 0.175 0.000 2.393 134 L HA 0.408 4.748 4.340 -0.000 0.000 0.260 134 L C -0.476 175.971 176.870 -0.705 0.000 1.002 134 L CA -1.096 53.635 54.840 -0.182 0.000 0.818 134 L CB 2.544 44.630 42.059 0.045 0.000 1.369 134 L HN -0.366 nan 8.230 nan 0.000 0.412 135 V N 1.232 120.084 119.914 -1.770 0.000 2.555 135 V HA -0.006 4.114 4.120 -0.000 0.000 0.286 135 V C 0.744 176.388 176.094 -0.751 0.000 1.044 135 V CA 0.004 61.355 62.300 -1.582 0.000 1.026 135 V CB 1.022 31.586 31.823 -2.099 0.000 0.981 135 V HN 0.772 nan 8.190 nan 0.000 0.480 136 D N 3.398 123.534 120.400 -0.441 0.000 2.157 136 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 136 D C 1.623 177.869 176.300 -0.090 0.000 1.004 136 D CA 2.132 56.018 54.000 -0.190 0.000 0.854 136 D CB -0.062 40.659 40.800 -0.131 0.000 0.936 136 D HN 0.926 nan 8.370 nan 0.000 0.446 137 D N -0.712 119.625 120.400 -0.106 0.000 2.349 137 D HA -0.122 4.518 4.640 -0.000 0.000 0.224 137 D C 0.365 176.778 176.300 0.188 0.000 1.029 137 D CA -0.199 53.828 54.000 0.046 0.000 0.879 137 D CB -0.490 40.322 40.800 0.021 0.000 0.906 137 D HN 0.094 nan 8.370 nan 0.000 0.528 138 W N 0.784 122.049 121.300 -0.058 0.000 2.112 138 W HA 0.193 4.853 4.660 -0.000 0.000 0.349 138 W C 0.597 177.216 176.519 0.167 0.000 1.289 138 W CA -1.147 56.174 57.345 -0.041 0.000 1.256 138 W CB -0.136 29.304 29.460 -0.034 0.000 1.148 138 W HN -0.054 nan 8.180 nan 0.000 0.590 139 W N 3.174 124.616 121.300 0.236 0.000 2.335 139 W HA 0.212 4.872 4.660 -0.000 0.000 0.306 139 W C -1.216 175.388 176.519 0.141 0.000 1.216 139 W CA -2.705 54.729 57.345 0.147 0.000 1.237 139 W CB -0.242 29.284 29.460 0.110 0.000 1.243 139 W HN 0.195 nan 8.180 nan 0.000 0.493 140 P HA -0.192 nan 4.420 nan 0.000 0.221 140 P C 1.029 178.422 177.300 0.155 0.000 1.145 140 P CA 1.641 64.853 63.100 0.187 0.000 0.795 140 P CB 0.512 32.282 31.700 0.117 0.000 0.775 141 E N -0.758 119.559 120.200 0.195 0.000 2.216 141 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 141 E C 1.355 178.108 176.600 0.254 0.000 0.988 141 E CA 0.850 57.355 56.400 0.175 0.000 0.834 141 E CB -0.603 29.187 29.700 0.149 0.000 0.772 141 E HN 0.254 nan 8.360 nan 0.000 0.479 142 D N 0.459 121.048 120.400 0.315 0.000 2.347 142 D HA -0.080 4.559 4.640 -0.000 0.000 0.215 142 D C 1.133 177.458 176.300 0.042 0.000 0.976 142 D CA 0.393 54.582 54.000 0.314 0.000 0.884 142 D CB -0.036 40.958 40.800 0.322 0.000 0.915 142 D HN 0.296 nan 8.370 nan 0.000 0.526 143 E N 0.393 120.600 120.200 0.013 0.000 2.160 143 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 143 E C -0.758 175.722 176.600 -0.200 0.000 0.991 143 E CA 0.808 57.177 56.400 -0.052 0.000 0.810 143 E CB -0.610 29.108 29.700 0.030 0.000 0.742 143 E HN 0.336 nan 8.360 nan 0.000 0.466 144 P HA -0.121 nan 4.420 nan 0.000 0.221 144 P C -0.328 176.608 177.300 -0.607 0.000 1.150 144 P CA 1.079 63.850 63.100 -0.548 0.000 0.800 144 P CB -0.008 31.215 31.700 -0.795 0.000 0.787 145 Y N -1.283 118.859 120.300 -0.263 0.000 2.301 145 Y HA 0.397 4.947 4.550 -0.000 0.000 0.328 145 Y C 1.985 177.651 175.900 -0.390 0.000 1.242 145 Y CA -0.801 57.082 58.100 -0.362 0.000 1.323 145 Y CB 0.225 38.354 38.460 -0.552 0.000 1.266 145 Y HN -0.191 nan 8.280 nan 0.000 0.527 146 A N 1.958 124.741 122.820 -0.061 0.000 2.019 146 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 146 A C 1.639 179.221 177.584 -0.003 0.000 1.164 146 A CA 1.576 53.603 52.037 -0.018 0.000 0.644 146 A CB -1.199 17.827 19.000 0.044 0.000 0.805 146 A HN 0.929 nan 8.150 nan 0.000 0.449 147 Y N -1.988 118.335 120.300 0.039 0.000 2.616 147 Y HA 0.272 4.822 4.550 -0.000 0.000 0.296 147 Y C 1.659 177.488 175.900 -0.119 0.000 1.154 147 Y CA 0.740 58.819 58.100 -0.035 0.000 1.325 147 Y CB -0.517 37.906 38.460 -0.062 0.000 1.007 147 Y HN 0.179 nan 8.280 nan 0.000 0.542 148 S N 0.407 115.927 115.700 -0.300 0.000 2.754 148 S HA 0.608 5.078 4.470 -0.000 0.000 0.247 148 S C 0.642 175.248 174.600 0.010 0.000 1.031 148 S CA -0.231 57.834 58.200 -0.225 0.000 1.014 148 S CB -1.049 61.979 63.200 -0.288 0.000 0.918 148 S HN 0.613 nan 8.310 nan 0.000 0.519 149 A N 1.498 124.342 122.820 0.040 0.000 2.586 149 A HA 0.213 4.533 4.320 -0.000 0.000 0.231 149 A C 0.423 178.147 177.584 0.234 0.000 1.055 149 A CA 0.346 52.451 52.037 0.114 0.000 0.756 149 A CB 0.044 19.111 19.000 0.111 0.000 0.988 149 A HN 0.728 nan 8.150 nan 0.000 0.509 150 Q N 0.119 120.044 119.800 0.207 0.000 2.394 150 Q HA 0.289 4.629 4.340 -0.000 0.000 0.248 150 Q C -0.452 175.692 176.000 0.240 0.000 0.992 150 Q CA -0.241 55.709 55.803 0.245 0.000 0.888 150 Q CB 0.699 29.544 28.738 0.178 0.000 1.257 150 Q HN 0.577 nan 8.270 nan 0.000 0.462 151 I N 1.626 122.347 120.570 0.252 0.000 2.304 151 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 151 I C 0.057 176.251 176.117 0.128 0.000 1.018 151 I CA 0.227 61.638 61.300 0.185 0.000 1.260 151 I CB 0.635 38.711 38.000 0.126 0.000 1.390 151 I HN 0.440 nan 8.210 nan 0.000 0.475 152 S N 4.036 119.827 115.700 0.151 0.000 2.569 152 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 152 S C 0.719 175.388 174.600 0.115 0.000 1.111 152 S CA -0.092 58.185 58.200 0.130 0.000 0.887 152 S CB 1.939 65.183 63.200 0.074 0.000 1.095 152 S HN 0.664 nan 8.310 nan 0.000 0.476 153 A N 2.913 125.688 122.820 -0.075 0.000 2.119 153 A HA 0.301 4.621 4.320 -0.000 0.000 0.217 153 A C 0.704 178.140 177.584 -0.247 0.000 1.153 153 A CA 0.553 52.283 52.037 -0.513 0.000 0.692 153 A CB -0.277 18.220 19.000 -0.840 0.000 0.799 153 A HN 0.704 nan 8.150 nan 0.000 0.458 154 L N 0.757 121.911 121.223 -0.115 0.000 2.324 154 L HA 0.443 4.783 4.340 -0.000 0.000 0.274 154 L C -0.812 176.039 176.870 -0.032 0.000 1.012 154 L CA -0.034 54.757 54.840 -0.081 0.000 0.859 154 L CB 1.364 43.383 42.059 -0.066 0.000 1.224 154 L HN 0.174 nan 8.230 nan 0.000 0.429 155 T N 2.889 117.429 114.554 -0.022 0.000 2.916 155 T HA 0.497 4.847 4.350 -0.000 0.000 0.305 155 T C -0.972 173.745 174.700 0.029 0.000 1.119 155 T CA -0.309 61.803 62.100 0.021 0.000 1.008 155 T CB 1.859 70.763 68.868 0.059 0.000 1.129 155 T HN 0.130 nan 8.240 nan 0.000 0.480 156 V N 3.838 123.783 119.914 0.051 0.000 2.406 156 V HA 0.678 4.798 4.120 -0.000 0.000 0.272 156 V C 0.719 176.893 176.094 0.135 0.000 1.043 156 V CA -0.754 61.592 62.300 0.077 0.000 0.915 156 V CB 0.794 32.659 31.823 0.070 0.000 0.988 156 V HN 1.067 nan 8.190 nan 0.000 0.466 157 A N 3.809 126.735 122.820 0.177 0.000 2.289 157 A HA 0.527 4.847 4.320 -0.000 0.000 0.298 157 A C -0.315 177.423 177.584 0.256 0.000 1.208 157 A CA -0.323 51.877 52.037 0.273 0.000 0.845 157 A CB -0.124 19.120 19.000 0.407 0.000 1.125 157 A HN 1.015 nan 8.150 nan 0.000 0.517 158 H N 1.983 121.127 119.070 0.124 0.000 2.527 158 H HA 0.524 5.080 4.556 -0.000 0.000 0.321 158 H C 0.823 176.138 175.328 -0.022 0.000 1.087 158 H CA 1.192 57.271 56.048 0.051 0.000 1.337 158 H CB 0.774 30.557 29.762 0.035 0.000 1.440 158 H HN 1.525 nan 8.280 nan 0.000 0.490 159 G N 3.643 112.047 108.800 -0.661 0.000 2.782 159 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.228 159 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.228 159 G C 0.712 175.300 174.900 -0.521 0.000 1.372 159 G CA 0.163 44.922 45.100 -0.568 0.000 0.862 159 G HN 0.869 nan 8.290 nan 0.000 0.547 160 E N -0.533 119.398 120.200 -0.449 0.000 2.435 160 E HA 0.105 4.455 4.350 -0.000 0.000 0.195 160 E C 2.106 178.366 176.600 -0.568 0.000 1.029 160 E CA 0.644 56.695 56.400 -0.581 0.000 0.865 160 E CB 0.084 29.660 29.700 -0.208 0.000 0.833 160 E HN 0.530 nan 8.360 nan 0.000 0.510 161 R N -0.102 120.173 120.500 -0.374 0.000 2.275 161 R HA 0.106 4.446 4.340 -0.000 0.000 0.199 161 R C -0.397 175.932 176.300 0.049 0.000 0.989 161 R CA 0.282 56.249 56.100 -0.221 0.000 1.016 161 R CB -0.291 29.750 30.300 -0.432 0.000 0.918 161 R HN 0.134 nan 8.270 nan 0.000 0.473 162 F N 1.396 121.421 119.950 0.125 0.000 2.905 162 F HA -0.225 4.302 4.527 -0.000 0.000 0.291 162 F C -0.782 175.108 175.800 0.151 0.000 1.002 162 F CA 0.148 58.261 58.000 0.188 0.000 0.978 162 F CB -1.566 37.631 39.000 0.327 0.000 1.036 162 F HN 0.072 nan 8.300 nan 0.000 0.820 163 D N 1.492 122.016 120.400 0.208 0.000 2.325 163 D HA 0.217 4.857 4.640 -0.000 0.000 0.251 163 D C 0.794 177.209 176.300 0.192 0.000 1.196 163 D CA 0.248 54.339 54.000 0.152 0.000 0.866 163 D CB 1.218 42.079 40.800 0.103 0.000 1.101 163 D HN 0.327 nan 8.370 nan 0.000 0.476 164 T N -1.716 112.948 114.554 0.184 0.000 2.909 164 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 164 T C 1.212 175.994 174.700 0.136 0.000 1.002 164 T CA -0.281 61.928 62.100 0.181 0.000 1.074 164 T CB 1.674 70.662 68.868 0.199 0.000 0.984 164 T HN 0.548 nan 8.240 nan 0.000 0.495 165 G N 0.709 109.580 108.800 0.120 0.000 2.198 165 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.260 165 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.260 165 G C 0.084 175.032 174.900 0.081 0.000 1.025 165 G CA 0.268 45.429 45.100 0.101 0.000 0.769 165 G HN 1.833 nan 8.290 nan 0.000 0.507 166 V N -3.793 116.164 119.914 0.071 0.000 3.103 166 V HA 0.993 5.112 4.120 -0.000 0.000 0.318 166 V C 0.101 176.201 176.094 0.010 0.000 1.114 166 V CA -0.108 62.207 62.300 0.025 0.000 1.020 166 V CB 2.098 33.916 31.823 -0.008 0.000 1.085 166 V HN 0.759 nan 8.190 nan 0.000 0.446 167 T N 0.526 115.062 114.554 -0.030 0.000 2.893 167 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 167 T C -0.849 173.770 174.700 -0.135 0.000 1.028 167 T CA -0.394 61.678 62.100 -0.047 0.000 0.995 167 T CB 1.649 70.527 68.868 0.017 0.000 1.051 167 T HN 1.079 nan 8.240 nan 0.000 0.470 168 E N 3.202 123.294 120.200 -0.179 0.000 2.044 168 E HA 0.460 4.810 4.350 -0.000 0.000 0.282 168 E C -0.741 175.819 176.600 -0.068 0.000 1.031 168 E CA -0.577 55.712 56.400 -0.184 0.000 0.824 168 E CB 0.477 30.046 29.700 -0.219 0.000 1.076 168 E HN 0.397 nan 8.360 nan 0.000 0.395 169 V N 4.050 123.931 119.914 -0.054 0.000 2.546 169 V HA 0.279 4.399 4.120 -0.000 0.000 0.284 169 V C 0.070 176.155 176.094 -0.015 0.000 1.050 169 V CA -0.424 61.860 62.300 -0.026 0.000 0.981 169 V CB 1.225 33.032 31.823 -0.026 0.000 0.990 169 V HN 0.737 nan 8.190 nan 0.000 0.474 170 S N 3.584 119.281 115.700 -0.004 0.000 2.557 170 S HA 0.790 5.260 4.470 -0.000 0.000 0.291 170 S C -1.106 173.496 174.600 0.003 0.000 1.116 170 S CA -0.730 57.472 58.200 0.002 0.000 0.992 170 S CB 1.776 64.980 63.200 0.008 0.000 1.028 170 S HN 0.397 nan 8.310 nan 0.000 0.484 171 V N 3.013 122.930 119.914 0.004 0.000 2.444 171 V HA 0.741 4.861 4.120 -0.000 0.000 0.294 171 V C 0.311 176.409 176.094 0.006 0.000 1.022 171 V CA -0.373 61.929 62.300 0.004 0.000 0.850 171 V CB 1.403 33.228 31.823 0.004 0.000 0.992 171 V HN 1.123 nan 8.190 nan 0.000 0.426 172 T N 3.313 117.870 114.554 0.005 0.000 2.885 172 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 172 T C -2.936 171.766 174.700 0.005 0.000 1.019 172 T CA -2.491 59.612 62.100 0.006 0.000 1.010 172 T CB 2.383 71.255 68.868 0.006 0.000 1.022 172 T HN 0.435 nan 8.240 nan 0.000 0.466 173 P HA 0.399 nan 4.420 nan 0.000 0.276 173 P C -0.248 177.054 177.300 0.003 0.000 1.230 173 P CA -0.287 62.815 63.100 0.004 0.000 0.776 173 P CB 0.960 32.662 31.700 0.004 0.000 0.888 174 A N 3.482 126.304 122.820 0.003 0.000 3.778 174 A HA 0.729 5.049 4.320 -0.000 0.000 0.156 174 A C 0.268 177.854 177.584 0.002 0.000 1.681 174 A CA -0.086 51.952 52.037 0.002 0.000 1.240 174 A CB -0.535 18.466 19.000 0.002 0.000 1.750 174 A HN 0.559 nan 8.150 nan 0.000 0.675 175 A N -0.188 122.633 122.820 0.002 0.000 2.340 175 A HA 0.473 4.793 4.320 -0.000 0.000 0.268 175 A C 0.259 177.844 177.584 0.001 0.000 1.100 175 A CA -0.205 51.833 52.037 0.001 0.000 0.803 175 A CB -0.196 18.805 19.000 0.001 0.000 1.043 175 A HN 0.679 nan 8.150 nan 0.000 0.488 176 E N 0.787 120.988 120.200 0.001 0.000 2.652 176 E HA 0.211 4.561 4.350 -0.000 0.000 0.255 176 E C 1.267 177.867 176.600 0.001 0.000 0.952 176 E CA 1.230 57.631 56.400 0.001 0.000 0.947 176 E CB -0.075 29.626 29.700 0.001 0.000 0.912 176 E HN 1.487 nan 8.360 nan 0.000 0.489 177 G N 3.680 112.481 108.800 0.001 0.000 2.199 177 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 177 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 177 G C 0.050 174.950 174.900 -0.000 0.000 0.982 177 G CA 0.387 45.487 45.100 0.000 0.000 0.632 177 G HN 0.596 nan 8.290 nan 0.000 0.529 178 E N 0.930 121.130 120.200 0.000 0.000 2.227 178 E HA 0.456 4.806 4.350 -0.000 0.000 0.268 178 E C -2.542 174.058 176.600 -0.000 0.000 0.990 178 E CA -2.239 54.161 56.400 -0.000 0.000 0.856 178 E CB 1.453 31.153 29.700 -0.000 0.000 1.159 178 E HN 0.056 nan 8.360 nan 0.000 0.401 179 P HA -0.062 nan 4.420 nan 0.000 0.265 179 P C -1.049 176.250 177.300 -0.000 0.000 1.187 179 P CA 0.287 63.387 63.100 -0.001 0.000 0.766 179 P CB 0.472 32.170 31.700 -0.002 0.000 0.820 180 A N 2.965 125.785 122.820 -0.000 0.000 2.386 180 A HA 0.182 4.502 4.320 -0.000 0.000 0.248 180 A C 0.078 177.662 177.584 0.000 0.000 1.082 180 A CA -0.238 51.799 52.037 0.001 0.000 0.789 180 A CB -0.073 18.928 19.000 0.001 0.000 1.025 180 A HN 0.445 nan 8.150 nan 0.000 0.490 181 D N 0.751 121.151 120.400 0.001 0.000 2.308 181 D HA 0.423 5.063 4.640 -0.000 0.000 0.251 181 D C -0.647 175.654 176.300 0.002 0.000 1.127 181 D CA 0.298 54.300 54.000 0.002 0.000 0.876 181 D CB 1.439 42.241 40.800 0.003 0.000 1.176 181 D HN 0.131 nan 8.370 nan 0.000 0.446 182 V N 2.384 122.298 119.914 0.001 0.000 2.444 182 V HA 0.220 4.340 4.120 -0.000 0.000 0.294 182 V C -0.254 175.841 176.094 0.002 0.000 1.022 182 V CA -0.877 61.423 62.300 -0.000 0.000 0.850 182 V CB 2.009 33.829 31.823 -0.005 0.000 0.992 182 V HN 0.397 nan 8.190 nan 0.000 0.426 183 D N 2.996 123.399 120.400 0.005 0.000 2.217 183 D HA 0.482 5.122 4.640 -0.000 0.000 0.243 183 D C 0.710 177.015 176.300 0.009 0.000 1.054 183 D CA -0.455 53.551 54.000 0.011 0.000 0.838 183 D CB 1.721 42.530 40.800 0.015 0.000 1.162 183 D HN 0.429 nan 8.370 nan 0.000 0.472 184 L N 3.122 124.353 121.223 0.013 0.000 2.591 184 L HA 0.292 4.632 4.340 -0.000 0.000 0.228 184 L C 1.575 178.459 176.870 0.023 0.000 1.133 184 L CA 0.308 55.155 54.840 0.011 0.000 0.880 184 L CB -1.087 40.978 42.059 0.009 0.000 1.033 184 L HN 0.782 nan 8.230 nan 0.000 0.450 185 G N 0.736 109.556 108.800 0.034 0.000 2.527 185 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.268 185 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.268 185 G C 0.930 175.876 174.900 0.077 0.000 1.175 185 G CA 0.386 45.514 45.100 0.047 0.000 0.962 185 G HN 0.251 nan 8.290 nan 0.000 0.560 186 A N -0.409 122.465 122.820 0.089 0.000 1.948 186 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 186 A C 2.885 180.576 177.584 0.178 0.000 1.177 186 A CA 3.633 55.745 52.037 0.125 0.000 0.636 186 A CB -0.990 18.082 19.000 0.119 0.000 0.815 186 A HN 2.396 nan 8.150 nan 0.000 0.449 187 A N -0.459 122.448 122.820 0.144 0.000 2.239 187 A HA 0.094 4.414 4.320 -0.000 0.000 0.209 187 A C 0.639 178.288 177.584 0.109 0.000 1.171 187 A CA 0.031 52.169 52.037 0.168 0.000 0.768 187 A CB -0.294 18.794 19.000 0.148 0.000 0.790 187 A HN 0.453 nan 8.150 nan 0.000 0.478 188 E N -0.199 120.075 120.200 0.124 0.000 2.493 188 E HA 0.218 4.568 4.350 -0.000 0.000 0.255 188 E C 1.244 177.928 176.600 0.140 0.000 0.999 188 E CA 1.105 57.567 56.400 0.103 0.000 0.934 188 E CB 0.233 29.994 29.700 0.101 0.000 0.940 188 E HN 0.669 nan 8.360 nan 0.000 0.473 189 G N 3.365 112.192 108.800 0.046 0.000 2.162 189 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 189 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 189 G C 0.457 175.244 174.900 -0.188 0.000 0.976 189 G CA 0.820 45.939 45.100 0.033 0.000 0.655 189 G HN 0.623 nan 8.290 nan 0.000 0.533 190 Y N 0.362 120.380 120.300 -0.470 0.000 2.697 190 Y HA 0.710 5.260 4.550 -0.000 0.000 0.268 190 Y C 1.736 177.498 175.900 -0.229 0.000 1.092 190 Y CA 1.318 59.096 58.100 -0.536 0.000 1.304 190 Y CB -0.208 37.830 38.460 -0.702 0.000 1.446 190 Y HN 0.645 nan 8.280 nan 0.000 0.491 191 A N 1.636 124.237 122.820 -0.365 0.000 2.287 191 A HA 0.373 4.693 4.320 -0.000 0.000 0.273 191 A C -0.272 177.187 177.584 -0.209 0.000 1.091 191 A CA -0.485 51.340 52.037 -0.353 0.000 0.817 191 A CB 0.074 18.965 19.000 -0.181 0.000 1.069 191 A HN 0.506 nan 8.150 nan 0.000 0.492 192 E N -0.482 119.611 120.200 -0.178 0.000 2.248 192 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 192 E C -1.303 175.248 176.600 -0.082 0.000 1.008 192 E CA -0.718 55.613 56.400 -0.114 0.000 0.856 192 E CB 1.717 31.354 29.700 -0.105 0.000 1.120 192 E HN 0.437 nan 8.360 nan 0.000 0.397 193 L N 1.774 122.962 121.223 -0.058 0.000 2.296 193 L HA 0.339 4.679 4.340 -0.000 0.000 0.286 193 L C -1.048 175.800 176.870 -0.038 0.000 1.023 193 L CA -0.243 54.571 54.840 -0.043 0.000 0.812 193 L CB 1.363 43.404 42.059 -0.030 0.000 1.223 193 L HN 0.335 nan 8.230 nan 0.000 0.421 194 D N 3.204 123.583 120.400 -0.035 0.000 2.438 194 D HA 0.224 4.864 4.640 -0.000 0.000 0.257 194 D C -1.073 175.213 176.300 -0.023 0.000 1.148 194 D CA -0.205 53.778 54.000 -0.029 0.000 0.902 194 D CB 0.415 41.196 40.800 -0.032 0.000 1.062 194 D HN 0.472 nan 8.370 nan 0.000 0.518 195 N N 2.857 121.546 118.700 -0.018 0.000 2.500 195 N HA 0.239 4.979 4.740 -0.000 0.000 0.236 195 N C -0.228 175.275 175.510 -0.011 0.000 1.022 195 N CA -0.194 52.848 53.050 -0.014 0.000 0.935 195 N CB 0.424 38.904 38.487 -0.011 0.000 1.147 195 N HN 0.278 nan 8.380 nan 0.000 0.512 196 R N 1.516 122.010 120.500 -0.010 0.000 2.613 196 R HA 0.422 4.762 4.340 -0.000 0.000 0.361 196 R C -0.281 176.016 176.300 -0.005 0.000 1.072 196 R CA -0.322 55.773 56.100 -0.008 0.000 1.089 196 R CB 0.760 31.054 30.300 -0.009 0.000 1.343 196 R HN 0.443 nan 8.270 nan 0.000 0.571 197 A N 0.556 123.373 122.820 -0.004 0.000 2.295 197 A HA 0.607 4.927 4.320 -0.000 0.000 0.318 197 A C 0.089 177.672 177.584 -0.001 0.000 1.134 197 A CA -0.563 51.473 52.037 -0.002 0.000 0.827 197 A CB 0.788 19.787 19.000 -0.001 0.000 1.136 197 A HN 0.070 nan 8.150 nan 0.000 0.493 198 V N -0.376 119.538 119.914 0.000 0.000 2.732 198 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 198 V C 0.320 176.415 176.094 0.001 0.000 1.053 198 V CA -0.693 61.607 62.300 0.000 0.000 0.957 198 V CB 1.332 33.155 31.823 0.001 0.000 1.018 198 V HN 0.781 nan 8.190 nan 0.000 0.452 199 T N 2.836 117.391 114.554 0.001 0.000 2.761 199 T HA 0.540 4.890 4.350 -0.000 0.000 0.296 199 T C 0.556 175.257 174.700 0.002 0.000 0.934 199 T CA 0.399 62.501 62.100 0.002 0.000 1.091 199 T CB 0.841 69.710 68.868 0.002 0.000 0.896 199 T HN 1.169 nan 8.240 nan 0.000 0.515 200 G N 1.554 110.355 108.800 0.003 0.000 2.511 200 G HA2 0.622 4.582 3.960 -0.000 0.000 0.316 200 G HA3 0.622 4.582 3.960 -0.000 0.000 0.316 200 G C 0.020 174.922 174.900 0.002 0.000 1.210 200 G CA -0.888 44.214 45.100 0.002 0.000 0.969 200 G HN 0.975 nan 8.290 nan 0.000 0.492 201 A N -0.398 122.423 122.820 0.002 0.000 2.547 201 A HA 0.508 4.828 4.320 -0.000 0.000 0.233 201 A C 1.177 178.762 177.584 0.003 0.000 1.067 201 A CA 0.522 52.560 52.037 0.002 0.000 0.763 201 A CB -0.323 18.678 19.000 0.002 0.000 1.007 201 A HN 1.999 nan 8.150 nan 0.000 0.506 202 A N 0.828 123.650 122.820 0.002 0.000 2.531 202 A HA 0.479 4.798 4.320 -0.000 0.000 0.236 202 A C 1.685 179.270 177.584 0.003 0.000 1.062 202 A CA 0.824 52.863 52.037 0.003 0.000 0.760 202 A CB -0.764 18.237 19.000 0.003 0.000 0.995 202 A HN 2.811 nan 8.150 nan 0.000 0.501 203 G N 1.046 109.847 108.800 0.003 0.000 2.148 203 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.254 203 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.254 203 G C 0.505 175.407 174.900 0.003 0.000 0.981 203 G CA 1.074 46.176 45.100 0.003 0.000 0.670 203 G HN 2.150 nan 8.290 nan 0.000 0.528 204 S N -0.566 115.135 115.700 0.003 0.000 2.745 204 S HA 0.852 5.322 4.470 -0.000 0.000 0.292 204 S C 0.550 175.152 174.600 0.004 0.000 1.133 204 S CA 0.218 58.420 58.200 0.003 0.000 0.998 204 S CB 2.008 65.210 63.200 0.003 0.000 1.087 204 S HN 1.869 nan 8.310 nan 0.000 0.551 205 A N 1.745 124.568 122.820 0.004 0.000 2.488 205 A HA 0.281 4.601 4.320 -0.000 0.000 0.249 205 A C 0.478 178.065 177.584 0.006 0.000 1.083 205 A CA -0.423 51.617 52.037 0.005 0.000 0.768 205 A CB -0.603 18.400 19.000 0.005 0.000 1.017 205 A HN 0.783 nan 8.150 nan 0.000 0.496 206 N N 2.268 120.972 118.700 0.007 0.000 2.400 206 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 206 N C 0.833 176.349 175.510 0.010 0.000 1.208 206 N CA 0.797 53.852 53.050 0.008 0.000 0.951 206 N CB 0.485 38.978 38.487 0.009 0.000 1.227 206 N HN 0.661 nan 8.380 nan 0.000 0.488 207 T N 1.113 115.673 114.554 0.010 0.000 3.174 207 T HA 0.172 4.522 4.350 -0.000 0.000 0.269 207 T C 0.739 175.448 174.700 0.014 0.000 1.017 207 T CA -0.538 61.569 62.100 0.011 0.000 0.899 207 T CB -0.206 68.667 68.868 0.009 0.000 1.077 207 T HN 0.236 nan 8.240 nan 0.000 0.552 208 L N 2.271 123.503 121.223 0.014 0.000 2.485 208 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 208 L C -0.552 176.333 176.870 0.024 0.000 1.207 208 L CA 0.316 55.166 54.840 0.016 0.000 0.855 208 L CB 0.800 42.867 42.059 0.014 0.000 1.114 208 L HN 0.135 nan 8.230 nan 0.000 0.485 209 V N 6.454 126.382 119.914 0.023 0.000 2.577 209 V HA 0.432 4.551 4.120 -0.000 0.000 0.303 209 V C -0.320 175.787 176.094 0.022 0.000 1.042 209 V CA -0.485 61.836 62.300 0.034 0.000 0.872 209 V CB 1.892 33.736 31.823 0.034 0.000 0.998 209 V HN 0.538 nan 8.190 nan 0.000 0.423 210 I N 4.226 124.814 120.570 0.029 0.000 2.355 210 I HA 0.511 4.681 4.170 -0.000 0.000 0.288 210 I C -0.727 175.370 176.117 -0.033 0.000 0.999 210 I CA -0.160 61.140 61.300 -0.000 0.000 1.163 210 I CB 1.635 39.635 38.000 0.000 0.000 1.316 210 I HN 0.520 nan 8.210 nan 0.000 0.454 211 D N 4.960 125.326 120.400 -0.057 0.000 2.423 211 D HA 0.447 5.087 4.640 -0.000 0.000 0.235 211 D C -0.835 175.398 176.300 -0.112 0.000 1.011 211 D CA -0.749 53.193 54.000 -0.098 0.000 0.963 211 D CB 2.159 42.925 40.800 -0.056 0.000 1.349 211 D HN 0.377 nan 8.370 nan 0.000 0.508 212 R N 2.117 122.531 120.500 -0.142 0.000 2.412 212 R HA 0.448 4.788 4.340 -0.000 0.000 0.304 212 R C -2.535 173.713 176.300 -0.087 0.000 1.066 212 R CA -1.665 54.370 56.100 -0.109 0.000 0.923 212 R CB 1.206 31.436 30.300 -0.117 0.000 1.156 212 R HN 0.211 nan 8.270 nan 0.000 0.513 213 P HA -0.146 nan 4.420 nan 0.000 0.265 213 P C -0.251 177.027 177.300 -0.036 0.000 1.187 213 P CA -0.123 62.951 63.100 -0.043 0.000 0.766 213 P CB 0.642 32.321 31.700 -0.035 0.000 0.820 214 V N 3.828 123.728 119.914 -0.022 0.000 2.720 214 V HA 0.170 4.290 4.120 -0.000 0.000 0.307 214 V C 1.508 177.598 176.094 -0.006 0.000 1.071 214 V CA 2.047 64.343 62.300 -0.007 0.000 1.199 214 V CB -0.488 31.341 31.823 0.010 0.000 0.900 214 V HN 1.002 nan 8.190 nan 0.000 0.494 215 G N 3.662 112.463 108.800 0.001 0.000 2.162 215 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 215 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 215 G C 0.329 175.221 174.900 -0.013 0.000 0.976 215 G CA 0.917 46.017 45.100 0.002 0.000 0.655 215 G HN 1.656 nan 8.290 nan 0.000 0.533 216 T N -2.886 111.653 114.554 -0.026 0.000 2.949 216 T HA 0.640 4.990 4.350 -0.000 0.000 0.287 216 T C 0.142 174.805 174.700 -0.062 0.000 1.034 216 T CA -0.142 61.931 62.100 -0.045 0.000 1.018 216 T CB 2.011 70.850 68.868 -0.050 0.000 1.135 216 T HN 0.129 nan 8.240 nan 0.000 0.532 217 N N 0.348 118.990 118.700 -0.096 0.000 2.635 217 N HA 0.301 5.041 4.740 -0.000 0.000 0.307 217 N C -1.192 174.225 175.510 -0.156 0.000 1.433 217 N CA -0.348 52.614 53.050 -0.146 0.000 0.973 217 N CB 0.120 38.462 38.487 -0.242 0.000 1.304 217 N HN 0.677 nan 8.380 nan 0.000 0.507 218 T N 1.249 115.738 114.554 -0.108 0.000 2.809 218 T HA 0.367 4.717 4.350 -0.000 0.000 0.284 218 T C -0.033 174.620 174.700 -0.080 0.000 0.992 218 T CA -0.541 61.502 62.100 -0.094 0.000 0.957 218 T CB 0.999 69.823 68.868 -0.075 0.000 0.942 218 T HN -0.019 nan 8.240 nan 0.000 0.439 219 I N 3.400 123.925 120.570 -0.075 0.000 2.436 219 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 219 I C 0.707 176.793 176.117 -0.051 0.000 1.083 219 I CA -0.657 60.605 61.300 -0.063 0.000 1.372 219 I CB -0.171 37.797 38.000 -0.054 0.000 1.408 219 I HN 0.674 nan 8.210 nan 0.000 0.516 220 A N 7.390 130.181 122.820 -0.049 0.000 2.288 220 A HA 0.693 5.013 4.320 -0.000 0.000 0.320 220 A C -0.469 177.098 177.584 -0.028 0.000 1.217 220 A CA -0.488 51.527 52.037 -0.036 0.000 0.840 220 A CB 1.016 19.995 19.000 -0.035 0.000 1.179 220 A HN 0.425 nan 8.150 nan 0.000 0.504 221 V N 3.269 123.170 119.914 -0.020 0.000 2.378 221 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 221 V C 0.411 176.500 176.094 -0.007 0.000 1.016 221 V CA -0.029 62.264 62.300 -0.012 0.000 0.840 221 V CB 1.122 32.939 31.823 -0.011 0.000 0.994 221 V HN 1.123 nan 8.190 nan 0.000 0.431 222 T N 1.091 115.644 114.554 -0.002 0.000 2.858 222 T HA 0.950 5.300 4.350 -0.000 0.000 0.285 222 T C 0.263 174.966 174.700 0.004 0.000 1.052 222 T CA -0.099 62.001 62.100 -0.000 0.000 1.009 222 T CB 1.803 70.671 68.868 -0.000 0.000 1.241 222 T HN 1.897 nan 8.240 nan 0.000 0.542 223 G N 0.339 109.142 108.800 0.004 0.000 2.725 223 G HA2 0.144 4.104 3.960 -0.000 0.000 0.220 223 G HA3 0.144 4.104 3.960 -0.000 0.000 0.220 223 G C -0.265 174.638 174.900 0.005 0.000 1.357 223 G CA -0.179 44.924 45.100 0.006 0.000 0.866 223 G HN 1.500 nan 8.290 nan 0.000 0.548 224 S N -1.242 114.461 115.700 0.006 0.000 2.482 224 S HA 0.710 5.180 4.470 -0.000 0.000 0.303 224 S C -0.698 173.906 174.600 0.006 0.000 1.091 224 S CA -0.328 57.875 58.200 0.005 0.000 1.057 224 S CB 1.349 64.552 63.200 0.004 0.000 1.031 224 S HN 1.652 nan 8.310 nan 0.000 0.485 225 L N 6.535 127.761 121.223 0.005 0.000 2.349 225 L HA 0.675 5.015 4.340 -0.000 0.000 0.278 225 L C -2.646 174.227 176.870 0.005 0.000 0.996 225 L CA -1.860 52.984 54.840 0.006 0.000 0.825 225 L CB 1.768 43.830 42.059 0.006 0.000 1.243 225 L HN 0.421 nan 8.230 nan 0.000 0.412 226 P HA 0.182 nan 4.420 nan 0.000 0.272 226 P C -0.067 177.235 177.300 0.004 0.000 1.223 226 P CA -0.111 62.991 63.100 0.004 0.000 0.784 226 P CB 0.905 32.608 31.700 0.004 0.000 0.923 227 A N 2.614 125.436 122.820 0.004 0.000 1.972 227 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 227 A C 1.263 178.850 177.584 0.004 0.000 1.169 227 A CA 1.804 53.843 52.037 0.003 0.000 0.635 227 A CB -1.117 17.885 19.000 0.003 0.000 0.810 227 A HN 0.640 nan 8.150 nan 0.000 0.446 228 D N -0.264 120.138 120.400 0.004 0.000 2.370 228 D HA 0.409 5.049 4.640 -0.000 0.000 0.230 228 D C 0.348 176.651 176.300 0.005 0.000 1.143 228 D CA 0.416 54.419 54.000 0.004 0.000 0.834 228 D CB -0.475 40.327 40.800 0.004 0.000 0.944 228 D HN 0.323 nan 8.370 nan 0.000 0.504 229 A N 0.267 123.090 122.820 0.005 0.000 2.316 229 A HA 0.670 4.990 4.320 -0.000 0.000 0.284 229 A C 0.517 178.105 177.584 0.006 0.000 1.115 229 A CA -0.356 51.685 52.037 0.006 0.000 0.812 229 A CB 0.729 19.733 19.000 0.006 0.000 1.064 229 A HN 0.348 nan 8.150 nan 0.000 0.489 230 A N 2.795 125.619 122.820 0.007 0.000 2.425 230 A HA 0.566 4.886 4.320 -0.000 0.000 0.242 230 A C -2.198 175.391 177.584 0.008 0.000 1.077 230 A CA -1.038 51.004 52.037 0.008 0.000 0.781 230 A CB -0.777 18.228 19.000 0.008 0.000 1.020 230 A HN 0.648 nan 8.150 nan 0.000 0.494 231 P HA 0.183 nan 4.420 nan 0.000 0.267 231 P C -0.624 176.682 177.300 0.010 0.000 1.200 231 P CA -0.084 63.021 63.100 0.009 0.000 0.772 231 P CB 0.378 32.084 31.700 0.010 0.000 0.855 232 V N 3.594 123.514 119.914 0.010 0.000 2.498 232 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 232 V C 0.433 176.533 176.094 0.010 0.000 1.048 232 V CA 0.413 62.719 62.300 0.011 0.000 0.967 232 V CB 1.001 32.831 31.823 0.012 0.000 0.988 232 V HN 0.547 nan 8.190 nan 0.000 0.473 233 T N 4.744 119.304 114.554 0.011 0.000 2.864 233 T HA 0.710 5.059 4.350 -0.000 0.000 0.299 233 T C -0.286 174.416 174.700 0.004 0.000 1.011 233 T CA -0.290 61.815 62.100 0.007 0.000 0.975 233 T CB 1.302 70.178 68.868 0.012 0.000 0.962 233 T HN 0.899 nan 8.240 nan 0.000 0.448 234 A N 3.825 126.642 122.820 -0.005 0.000 2.374 234 A HA 0.771 5.090 4.320 -0.000 0.000 0.305 234 A C -0.631 176.933 177.584 -0.033 0.000 1.053 234 A CA -0.747 51.289 52.037 -0.000 0.000 0.726 234 A CB 0.940 19.953 19.000 0.020 0.000 1.229 234 A HN 0.828 nan 8.150 nan 0.000 0.431 235 L N 3.273 124.473 121.223 -0.038 0.000 2.319 235 L HA 0.453 4.793 4.340 -0.000 0.000 0.280 235 L C 0.277 177.120 176.870 -0.044 0.000 1.099 235 L CA -0.381 54.413 54.840 -0.077 0.000 0.828 235 L CB 0.427 42.438 42.059 -0.079 0.000 1.150 235 L HN 0.642 nan 8.230 nan 0.000 0.442 236 R N 1.125 121.584 120.500 -0.068 0.000 2.854 236 R HA 0.488 4.828 4.340 -0.000 0.000 0.271 236 R C -0.325 175.933 176.300 -0.070 0.000 0.994 236 R CA -0.708 55.340 56.100 -0.087 0.000 0.945 236 R CB 2.145 32.388 30.300 -0.095 0.000 1.194 236 R HN 0.661 nan 8.270 nan 0.000 0.476 237 T N -1.809 112.692 114.554 -0.088 0.000 2.882 237 T HA 0.479 4.828 4.350 -0.000 0.000 0.287 237 T C 0.708 175.401 174.700 -0.011 0.000 1.014 237 T CA -0.699 61.379 62.100 -0.037 0.000 1.049 237 T CB 1.001 69.843 68.868 -0.043 0.000 1.001 237 T HN 0.364 nan 8.240 nan 0.000 0.525 238 V N -1.028 118.914 119.914 0.046 0.000 2.881 238 V HA 0.675 4.795 4.120 -0.000 0.000 0.316 238 V C -0.442 175.715 176.094 0.103 0.000 1.070 238 V CA -1.251 61.102 62.300 0.088 0.000 0.976 238 V CB 1.551 33.507 31.823 0.220 0.000 1.038 238 V HN 0.968 nan 8.190 nan 0.000 0.446 239 D N 1.462 121.918 120.400 0.093 0.000 2.302 239 D HA 0.273 4.913 4.640 -0.000 0.000 0.248 239 D C -0.096 176.316 176.300 0.187 0.000 1.094 239 D CA 0.470 54.528 54.000 0.097 0.000 0.897 239 D CB 0.537 41.357 40.800 0.034 0.000 1.200 239 D HN 0.799 nan 8.370 nan 0.000 0.429 240 E N 2.348 122.640 120.200 0.153 0.000 2.613 240 E HA -0.142 4.207 4.350 -0.000 0.000 0.161 240 E C -1.914 174.767 176.600 0.136 0.000 1.664 240 E CA 0.084 56.575 56.400 0.153 0.000 0.661 240 E CB -0.841 28.962 29.700 0.171 0.000 1.098 240 E HN 0.508 nan 8.360 nan 0.000 0.364 241 P HA -0.225 nan 4.420 nan 0.000 0.216 241 P C 1.351 178.655 177.300 0.007 0.000 1.153 241 P CA 2.318 65.457 63.100 0.066 0.000 0.858 241 P CB 0.176 31.924 31.700 0.080 0.000 0.789 242 A N -0.205 122.624 122.820 0.015 0.000 1.930 242 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 242 A C 2.324 179.884 177.584 -0.040 0.000 1.175 242 A CA 1.929 53.961 52.037 -0.008 0.000 0.627 242 A CB -1.542 17.466 19.000 0.014 0.000 0.815 242 A HN 0.196 nan 8.150 nan 0.000 0.443 243 A N -0.464 122.332 122.820 -0.042 0.000 1.972 243 A HA -0.023 4.296 4.320 -0.000 0.000 0.219 243 A C 2.102 179.434 177.584 -0.419 0.000 1.169 243 A CA 1.671 53.643 52.037 -0.109 0.000 0.635 243 A CB -0.547 18.482 19.000 0.048 0.000 0.810 243 A HN 0.719 nan 8.150 nan 0.000 0.446 244 L N -0.307 120.566 121.223 -0.583 0.000 2.093 244 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 244 L C 2.582 179.320 176.870 -0.220 0.000 1.085 244 L CA 2.086 56.510 54.840 -0.694 0.000 0.755 244 L CB -0.723 41.105 42.059 -0.386 0.000 0.904 244 L HN 0.312 nan 8.230 nan 0.000 0.435 245 A N -0.423 122.327 122.820 -0.118 0.000 1.933 245 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 245 A C 2.321 179.910 177.584 0.009 0.000 1.175 245 A CA 1.536 53.551 52.037 -0.036 0.000 0.628 245 A CB -1.551 17.425 19.000 -0.039 0.000 0.814 245 A HN 0.535 nan 8.150 nan 0.000 0.444 246 G N -1.079 107.713 108.800 -0.013 0.000 2.414 246 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.215 246 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.215 246 G C 1.465 176.394 174.900 0.047 0.000 1.188 246 G CA 1.398 46.524 45.100 0.043 0.000 0.783 246 G HN 0.763 nan 8.290 nan 0.000 0.537 247 H N 0.604 119.605 119.070 -0.115 0.000 2.319 247 H HA -0.012 4.543 4.556 -0.000 0.000 0.297 247 H C 2.457 177.759 175.328 -0.043 0.000 1.097 247 H CA 1.778 57.769 56.048 -0.095 0.000 1.285 247 H CB -0.319 29.332 29.762 -0.186 0.000 1.368 247 H HN 0.279 nan 8.280 nan 0.000 0.495 248 L N -1.206 119.959 121.223 -0.096 0.000 2.056 248 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 248 L C 2.216 179.071 176.870 -0.025 0.000 1.078 248 L CA 1.146 55.930 54.840 -0.093 0.000 0.749 248 L CB -0.457 41.611 42.059 0.015 0.000 0.901 248 L HN 0.298 nan 8.230 nan 0.000 0.433 249 F N 0.918 120.802 119.950 -0.109 0.000 2.234 249 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 249 F C 2.504 178.249 175.800 -0.092 0.000 1.087 249 F CA 1.447 59.397 58.000 -0.084 0.000 1.340 249 F CB -0.179 38.785 39.000 -0.060 0.000 1.031 249 F HN 0.102 nan 8.300 nan 0.000 0.500 250 E N 0.291 120.392 120.200 -0.165 0.000 2.051 250 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 250 E C 2.040 178.483 176.600 -0.261 0.000 0.991 250 E CA 1.651 57.907 56.400 -0.239 0.000 0.799 250 E CB -0.211 29.403 29.700 -0.144 0.000 0.748 250 E HN 0.562 nan 8.360 nan 0.000 0.449 251 E N 0.053 120.101 120.200 -0.252 0.000 2.118 251 E HA -0.207 4.142 4.350 -0.000 0.000 0.195 251 E C 2.010 178.496 176.600 -0.189 0.000 0.992 251 E CA 0.901 57.172 56.400 -0.215 0.000 0.804 251 E CB -0.122 29.438 29.700 -0.234 0.000 0.741 251 E HN 0.332 nan 8.360 nan 0.000 0.458 252 A N 1.276 123.968 122.820 -0.213 0.000 1.873 252 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 252 A C 2.210 179.637 177.584 -0.262 0.000 1.186 252 A CA 0.920 52.841 52.037 -0.194 0.000 0.616 252 A CB -0.672 18.246 19.000 -0.138 0.000 0.823 252 A HN 0.115 nan 8.150 nan 0.000 0.442 253 L N -0.330 120.633 121.223 -0.434 0.000 1.990 253 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 253 L C 2.688 179.430 176.870 -0.214 0.000 1.072 253 L CA 1.763 56.373 54.840 -0.383 0.000 0.755 253 L CB -0.654 41.125 42.059 -0.466 0.000 0.889 253 L HN 0.410 nan 8.230 nan 0.000 0.432 254 E N -0.340 119.749 120.200 -0.185 0.000 2.160 254 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 254 E C 2.272 178.814 176.600 -0.097 0.000 0.991 254 E CA 1.398 57.724 56.400 -0.122 0.000 0.810 254 E CB -0.130 29.505 29.700 -0.109 0.000 0.742 254 E HN 0.436 nan 8.360 nan 0.000 0.466 255 S N 0.909 116.548 115.700 -0.103 0.000 2.496 255 S HA 0.031 4.500 4.470 -0.000 0.000 0.224 255 S C 1.255 175.816 174.600 -0.065 0.000 0.996 255 S CA 0.158 58.314 58.200 -0.074 0.000 0.927 255 S CB 0.082 63.241 63.200 -0.069 0.000 0.774 255 S HN 0.226 nan 8.310 nan 0.000 0.524 256 N N 0.592 119.243 118.700 -0.081 0.000 2.251 256 N HA 0.183 4.923 4.740 -0.000 0.000 0.217 256 N C 0.937 176.413 175.510 -0.058 0.000 1.124 256 N CA 0.538 53.551 53.050 -0.063 0.000 0.843 256 N CB 1.017 39.465 38.487 -0.065 0.000 1.024 256 N HN 0.473 nan 8.380 nan 0.000 0.501 257 G N 0.236 109.000 108.800 -0.060 0.000 2.157 257 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 257 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 257 G C 0.000 174.868 174.900 -0.054 0.000 0.979 257 G CA -0.036 45.034 45.100 -0.049 0.000 0.650 257 G HN 0.182 nan 8.290 nan 0.000 0.529 258 V N 2.221 122.090 119.914 -0.076 0.000 2.364 258 V HA 0.529 4.649 4.120 -0.000 0.000 0.272 258 V C 0.790 176.834 176.094 -0.084 0.000 1.036 258 V CA 0.087 62.340 62.300 -0.078 0.000 0.880 258 V CB 1.286 33.050 31.823 -0.100 0.000 0.991 258 V HN 0.319 nan 8.190 nan 0.000 0.460 259 T N 4.601 119.119 114.554 -0.061 0.000 2.889 259 T HA 0.511 4.860 4.350 -0.000 0.000 0.291 259 T C -0.148 174.518 174.700 -0.058 0.000 0.995 259 T CA -0.361 61.705 62.100 -0.057 0.000 1.092 259 T CB 1.592 70.436 68.868 -0.039 0.000 0.954 259 T HN 0.361 nan 8.240 nan 0.000 0.506 260 V N 4.621 124.497 119.914 -0.062 0.000 2.349 260 V HA 0.250 4.369 4.120 -0.000 0.000 0.284 260 V C 0.805 176.870 176.094 -0.048 0.000 1.014 260 V CA -0.784 61.480 62.300 -0.060 0.000 0.826 260 V CB 1.418 33.191 31.823 -0.083 0.000 1.009 260 V HN 0.764 nan 8.190 nan 0.000 0.431 261 K N 2.748 123.126 120.400 -0.036 0.000 2.167 261 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 261 K C 1.247 177.828 176.600 -0.032 0.000 1.052 261 K CA 0.910 57.181 56.287 -0.028 0.000 0.956 261 K CB 0.180 32.670 32.500 -0.016 0.000 0.735 261 K HN 0.708 nan 8.250 nan 0.000 0.451 262 G N 1.216 109.989 108.800 -0.045 0.000 2.531 262 G HA2 0.148 4.108 3.960 -0.000 0.000 0.253 262 G HA3 0.148 4.108 3.960 -0.000 0.000 0.253 262 G C -0.642 174.211 174.900 -0.079 0.000 1.439 262 G CA -0.381 44.684 45.100 -0.059 0.000 1.056 262 G HN -0.012 nan 8.290 nan 0.000 0.555 263 D N -0.934 119.397 120.400 -0.116 0.000 2.217 263 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 263 D C -0.340 175.849 176.300 -0.185 0.000 1.008 263 D CA -0.192 53.739 54.000 -0.114 0.000 0.914 263 D CB 2.090 42.835 40.800 -0.091 0.000 1.182 263 D HN 0.041 nan 8.370 nan 0.000 0.451 264 V N 0.856 120.701 119.914 -0.115 0.000 2.394 264 V HA 0.798 4.918 4.120 -0.000 0.000 0.282 264 V C 0.818 176.860 176.094 -0.087 0.000 1.031 264 V CA -0.236 61.991 62.300 -0.122 0.000 0.881 264 V CB 1.129 32.934 31.823 -0.029 0.000 0.982 264 V HN 0.718 nan 8.190 nan 0.000 0.451 265 G N 3.613 112.333 108.800 -0.132 0.000 2.634 265 G HA2 0.625 4.585 3.960 -0.000 0.000 0.309 265 G HA3 0.625 4.585 3.960 -0.000 0.000 0.309 265 G C -1.658 173.292 174.900 0.083 0.000 1.299 265 G CA -0.952 44.144 45.100 -0.008 0.000 0.798 265 G HN 0.550 nan 8.290 nan 0.000 0.490 266 L N 0.575 121.895 121.223 0.161 0.000 2.289 266 L HA 0.747 5.087 4.340 -0.000 0.000 0.285 266 L C 0.612 177.647 176.870 0.275 0.000 1.049 266 L CA -0.387 54.567 54.840 0.189 0.000 0.804 266 L CB 1.410 43.541 42.059 0.119 0.000 1.195 266 L HN 0.850 nan 8.230 nan 0.000 0.428 267 G N 1.104 110.052 108.800 0.247 0.000 2.703 267 G HA2 0.558 4.517 3.960 -0.000 0.000 0.294 267 G HA3 0.558 4.517 3.960 -0.000 0.000 0.294 267 G C -1.183 173.787 174.900 0.117 0.000 1.451 267 G CA -0.518 44.608 45.100 0.043 0.000 0.869 267 G HN 0.712 nan 8.290 nan 0.000 0.516 268 G N -0.497 108.283 108.800 -0.032 0.000 2.367 268 G HA2 0.536 4.496 3.960 -0.000 0.000 0.314 268 G HA3 0.536 4.496 3.960 -0.000 0.000 0.314 268 G C 0.233 174.820 174.900 -0.521 0.000 1.130 268 G CA -0.437 44.578 45.100 -0.142 0.000 0.864 268 G HN 1.010 nan 8.290 nan 0.000 0.486 269 V N 4.095 123.492 119.914 -0.861 0.000 2.644 269 V HA -0.070 4.050 4.120 -0.000 0.000 0.303 269 V C -0.637 174.883 176.094 -0.956 0.000 1.058 269 V CA -0.181 61.293 62.300 -1.377 0.000 1.228 269 V CB 0.905 32.246 31.823 -0.804 0.000 0.861 269 V HN 0.689 nan 8.190 nan 0.000 0.484 270 P HA -0.291 nan 4.420 nan 0.000 0.218 270 P C 1.206 178.278 177.300 -0.380 0.000 1.150 270 P CA 2.204 64.855 63.100 -0.749 0.000 0.841 270 P CB 0.073 31.176 31.700 -0.995 0.000 0.784 271 A N -0.973 121.673 122.820 -0.290 0.000 3.244 271 A HA -0.304 4.016 4.320 -0.000 0.000 0.233 271 A C 1.333 178.921 177.584 0.007 0.000 0.701 271 A CA 1.653 53.631 52.037 -0.099 0.000 1.381 271 A CB -2.698 16.245 19.000 -0.095 0.000 1.208 271 A HN 0.455 nan 8.150 nan 0.000 0.685 272 D N -1.455 118.965 120.400 0.033 0.000 2.352 272 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 272 D C 0.127 176.589 176.300 0.270 0.000 1.055 272 D CA 0.308 54.380 54.000 0.120 0.000 0.891 272 D CB -0.268 40.593 40.800 0.103 0.000 0.897 272 D HN 0.566 nan 8.370 nan 0.000 0.529 273 W N 2.162 123.431 121.300 -0.052 0.000 2.332 273 W HA 0.314 4.974 4.660 -0.000 0.000 0.306 273 W C 1.186 177.680 176.519 -0.042 0.000 1.149 273 W CA -1.120 56.195 57.345 -0.050 0.000 1.271 273 W CB 0.907 30.318 29.460 -0.082 0.000 1.243 273 W HN 0.115 nan 8.180 nan 0.000 0.459 274 Q N 0.319 120.194 119.800 0.124 0.000 2.423 274 Q HA 0.065 4.404 4.340 -0.000 0.000 0.231 274 Q C 0.096 176.114 176.000 0.031 0.000 0.894 274 Q CA 0.377 56.220 55.803 0.066 0.000 0.938 274 Q CB 0.492 29.254 28.738 0.040 0.000 1.079 274 Q HN 0.200 nan 8.270 nan 0.000 0.552 275 D N 1.625 122.019 120.400 -0.010 0.000 3.088 275 D HA 0.391 5.031 4.640 -0.000 0.000 0.310 275 D C -0.821 175.448 176.300 -0.052 0.000 1.351 275 D CA -0.262 53.720 54.000 -0.031 0.000 0.921 275 D CB 0.478 41.250 40.800 -0.047 0.000 1.045 275 D HN 0.311 nan 8.370 nan 0.000 0.504 276 A N 1.069 123.888 122.820 -0.002 0.000 2.511 276 A HA 0.172 4.492 4.320 -0.000 0.000 0.242 276 A C 0.482 178.067 177.584 0.001 0.000 1.069 276 A CA -0.048 51.999 52.037 0.016 0.000 0.763 276 A CB 0.435 19.534 19.000 0.165 0.000 1.001 276 A HN 0.276 nan 8.150 nan 0.000 0.498 277 E N 1.705 121.895 120.200 -0.017 0.000 2.167 277 E HA 0.432 4.782 4.350 -0.000 0.000 0.284 277 E C -0.986 175.640 176.600 0.044 0.000 1.016 277 E CA -0.176 56.224 56.400 -0.000 0.000 0.817 277 E CB 0.997 30.683 29.700 -0.023 0.000 1.080 277 E HN 0.317 nan 8.360 nan 0.000 0.397 278 V N 7.523 127.457 119.914 0.033 0.000 2.353 278 V HA 0.095 4.215 4.120 -0.000 0.000 0.264 278 V C 1.075 177.192 176.094 0.038 0.000 1.049 278 V CA -0.033 62.290 62.300 0.038 0.000 0.896 278 V CB 0.704 32.536 31.823 0.015 0.000 1.025 278 V HN 0.814 nan 8.190 nan 0.000 0.475 279 L N 3.899 125.158 121.223 0.060 0.000 2.375 279 L HA 0.495 4.835 4.340 -0.000 0.000 0.215 279 L C 0.906 177.814 176.870 0.064 0.000 1.108 279 L CA 0.767 55.645 54.840 0.064 0.000 0.830 279 L CB 0.146 42.259 42.059 0.090 0.000 0.959 279 L HN 0.756 nan 8.230 nan 0.000 0.457 280 A N -0.010 122.846 122.820 0.060 0.000 2.594 280 A HA 0.538 4.858 4.320 -0.000 0.000 0.296 280 A C -1.857 175.743 177.584 0.027 0.000 1.056 280 A CA -0.787 51.283 52.037 0.055 0.000 0.693 280 A CB 1.134 20.190 19.000 0.094 0.000 1.278 280 A HN 0.081 nan 8.150 nan 0.000 0.408 281 D N 0.239 120.655 120.400 0.026 0.000 2.592 281 D HA 0.707 5.347 4.640 -0.000 0.000 0.263 281 D C -0.911 175.432 176.300 0.072 0.000 1.132 281 D CA -0.270 53.737 54.000 0.012 0.000 0.996 281 D CB 1.641 42.428 40.800 -0.023 0.000 1.442 281 D HN 0.664 nan 8.370 nan 0.000 0.486 282 H N -1.628 117.402 119.070 -0.067 0.000 2.961 282 H HA 0.597 5.153 4.556 -0.000 0.000 0.371 282 H C -1.482 173.805 175.328 -0.068 0.000 1.190 282 H CA -0.202 55.812 56.048 -0.055 0.000 1.138 282 H CB 2.319 32.050 29.762 -0.052 0.000 1.816 282 H HN 0.323 nan 8.280 nan 0.000 0.551 283 T N 2.713 116.832 114.554 -0.724 0.000 2.879 283 T HA 0.346 4.696 4.350 -0.000 0.000 0.290 283 T C -0.436 173.918 174.700 -0.577 0.000 0.993 283 T CA -0.690 61.120 62.100 -0.485 0.000 0.975 283 T CB 0.926 69.615 68.868 -0.298 0.000 0.981 283 T HN 0.734 nan 8.240 nan 0.000 0.439 284 S N 2.579 118.115 115.700 -0.273 0.000 2.608 284 S HA 0.654 5.123 4.470 -0.000 0.000 0.261 284 S C 0.832 175.368 174.600 -0.107 0.000 1.314 284 S CA -0.686 57.445 58.200 -0.114 0.000 0.992 284 S CB 0.399 63.630 63.200 0.052 0.000 0.935 284 S HN 0.988 nan 8.310 nan 0.000 0.564 285 A N 0.992 123.781 122.820 -0.052 0.000 2.492 285 A HA 0.260 4.580 4.320 -0.000 0.000 0.236 285 A C 0.527 178.098 177.584 -0.022 0.000 1.078 285 A CA -0.297 51.723 52.037 -0.028 0.000 0.773 285 A CB -0.483 18.522 19.000 0.007 0.000 1.023 285 A HN 0.896 nan 8.150 nan 0.000 0.504 286 E N -0.282 119.906 120.200 -0.019 0.000 2.392 286 E HA 0.119 4.468 4.350 -0.000 0.000 0.259 286 E C 0.910 177.538 176.600 0.047 0.000 1.108 286 E CA -0.483 55.904 56.400 -0.023 0.000 0.916 286 E CB 0.449 30.140 29.700 -0.014 0.000 0.989 286 E HN 0.584 nan 8.360 nan 0.000 0.432 287 L N 2.843 124.105 121.223 0.065 0.000 2.051 287 L HA -0.291 4.049 4.340 -0.000 0.000 0.214 287 L C 2.245 179.199 176.870 0.140 0.000 1.076 287 L CA 2.533 57.460 54.840 0.145 0.000 0.758 287 L CB -0.824 41.322 42.059 0.146 0.000 0.890 287 L HN 0.712 nan 8.230 nan 0.000 0.433 288 S N -1.353 114.417 115.700 0.117 0.000 2.402 288 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 288 S C 1.702 176.388 174.600 0.142 0.000 1.030 288 S CA 1.336 59.617 58.200 0.135 0.000 1.003 288 S CB -0.615 62.659 63.200 0.124 0.000 0.813 288 S HN 0.609 nan 8.310 nan 0.000 0.477 289 E N 1.280 121.556 120.200 0.125 0.000 2.170 289 E HA 0.222 4.572 4.350 -0.000 0.000 0.191 289 E C 2.055 178.758 176.600 0.171 0.000 0.981 289 E CA 0.476 56.958 56.400 0.137 0.000 0.830 289 E CB -0.468 29.294 29.700 0.104 0.000 0.775 289 E HN 0.620 nan 8.360 nan 0.000 0.470 290 I N 0.997 121.656 120.570 0.149 0.000 2.676 290 I HA -0.167 4.003 4.170 -0.000 0.000 0.259 290 I C 2.211 178.492 176.117 0.272 0.000 1.194 290 I CA 0.479 61.868 61.300 0.148 0.000 1.473 290 I CB -0.155 37.877 38.000 0.055 0.000 1.096 290 I HN 0.007 nan 8.210 nan 0.000 0.443 291 L N -0.147 121.240 121.223 0.274 0.000 2.191 291 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 291 L C 2.490 179.515 176.870 0.258 0.000 1.103 291 L CA 0.827 55.866 54.840 0.331 0.000 0.769 291 L CB -0.487 41.715 42.059 0.239 0.000 0.908 291 L HN 0.117 nan 8.230 nan 0.000 0.438 292 V N 0.671 120.733 119.914 0.246 0.000 2.216 292 V HA -0.164 3.956 4.120 -0.000 0.000 0.243 292 V C -0.149 176.093 176.094 0.246 0.000 1.044 292 V CA 2.149 64.577 62.300 0.213 0.000 0.995 292 V CB -1.733 30.254 31.823 0.273 0.000 0.633 292 V HN 0.355 nan 8.190 nan 0.000 0.446 293 P HA -0.217 nan 4.420 nan 0.000 0.219 293 P C 1.743 179.342 177.300 0.500 0.000 1.146 293 P CA 1.767 65.205 63.100 0.564 0.000 0.808 293 P CB -0.172 32.010 31.700 0.805 0.000 0.779 294 F N 0.437 120.606 119.950 0.365 0.000 2.060 294 F HA -0.140 4.387 4.527 -0.000 0.000 0.295 294 F C 2.129 177.993 175.800 0.108 0.000 1.120 294 F CA 1.342 59.528 58.000 0.310 0.000 1.205 294 F CB -0.289 38.951 39.000 0.400 0.000 0.986 294 F HN -0.301 nan 8.300 nan 0.000 0.470 295 M N 0.284 119.675 119.600 -0.348 0.000 2.447 295 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 295 M C 1.744 177.813 176.300 -0.385 0.000 1.095 295 M CA 0.960 55.928 55.300 -0.553 0.000 1.125 295 M CB -0.769 31.527 32.600 -0.506 0.000 1.389 295 M HN 0.126 nan 8.290 nan 0.000 0.459 296 K N -0.150 120.027 120.400 -0.371 0.000 2.116 296 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 296 K C 1.351 177.528 176.600 -0.704 0.000 1.052 296 K CA 1.227 57.142 56.287 -0.619 0.000 0.952 296 K CB -0.078 31.872 32.500 -0.916 0.000 0.729 296 K HN 0.290 nan 8.250 nan 0.000 0.446 297 F N 0.278 120.132 119.950 -0.159 0.000 2.682 297 F HA 0.217 4.744 4.527 -0.000 0.000 0.308 297 F C 0.546 176.281 175.800 -0.109 0.000 1.093 297 F CA -0.461 57.453 58.000 -0.143 0.000 1.244 297 F CB 0.247 39.152 39.000 -0.157 0.000 1.052 297 F HN -0.221 nan 8.300 nan 0.000 0.573 298 S N 1.444 117.137 115.700 -0.010 0.000 3.766 298 S HA -0.301 4.168 4.470 -0.000 0.000 0.416 298 S C -0.036 174.607 174.600 0.072 0.000 0.902 298 S CA 0.150 58.328 58.200 -0.036 0.000 1.283 298 S CB -1.937 61.221 63.200 -0.070 0.000 0.891 298 S HN 0.602 nan 8.310 nan 0.000 0.556 299 N N 1.804 120.603 118.700 0.165 0.000 2.402 299 N HA 0.335 5.075 4.740 -0.000 0.000 0.252 299 N C 1.192 176.843 175.510 0.235 0.000 1.118 299 N CA -0.555 52.571 53.050 0.128 0.000 0.945 299 N CB 0.377 38.785 38.487 -0.132 0.000 1.147 299 N HN 0.405 nan 8.380 nan 0.000 0.495 300 N N 2.664 121.464 118.700 0.167 0.000 2.084 300 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 300 N C 1.838 177.487 175.510 0.233 0.000 1.030 300 N CA 1.219 54.384 53.050 0.192 0.000 0.849 300 N CB -0.633 37.909 38.487 0.091 0.000 1.012 300 N HN 0.682 nan 8.380 nan 0.000 0.423 301 G N 1.363 110.281 108.800 0.196 0.000 2.529 301 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 301 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 301 G C 1.248 176.288 174.900 0.233 0.000 1.177 301 G CA 1.338 46.576 45.100 0.231 0.000 0.773 301 G HN 0.362 nan 8.290 nan 0.000 0.573 302 H N 1.016 120.102 119.070 0.026 0.000 2.319 302 H HA -0.045 4.510 4.556 -0.000 0.000 0.297 302 H C 2.901 177.996 175.328 -0.388 0.000 1.097 302 H CA 1.288 57.198 56.048 -0.230 0.000 1.285 302 H CB -0.925 28.617 29.762 -0.367 0.000 1.368 302 H HN 0.394 nan 8.280 nan 0.000 0.495 303 A N 1.205 123.969 122.820 -0.094 0.000 1.908 303 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 303 A C 2.198 179.839 177.584 0.095 0.000 1.181 303 A CA 1.841 53.880 52.037 0.003 0.000 0.627 303 A CB -0.127 19.087 19.000 0.357 0.000 0.818 303 A HN 0.360 nan 8.150 nan 0.000 0.445 304 E N -0.556 119.763 120.200 0.200 0.000 2.216 304 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 304 E C 2.003 178.567 176.600 -0.059 0.000 0.988 304 E CA 0.781 57.330 56.400 0.249 0.000 0.834 304 E CB -0.414 29.613 29.700 0.544 0.000 0.772 304 E HN 0.725 nan 8.360 nan 0.000 0.479 305 M N 0.339 119.914 119.600 -0.040 0.000 2.132 305 M HA -0.086 4.393 4.480 -0.000 0.000 0.263 305 M C 2.362 178.571 176.300 -0.153 0.000 1.065 305 M CA 1.174 56.429 55.300 -0.075 0.000 1.122 305 M CB -0.278 32.333 32.600 0.017 0.000 1.365 305 M HN 0.052 nan 8.290 nan 0.000 0.411 306 L N -0.640 120.493 121.223 -0.149 0.000 2.042 306 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 306 L C 2.438 179.254 176.870 -0.090 0.000 1.076 306 L CA 1.004 55.786 54.840 -0.096 0.000 0.749 306 L CB -0.857 41.130 42.059 -0.121 0.000 0.893 306 L HN 0.141 nan 8.230 nan 0.000 0.432 307 V N 0.113 119.970 119.914 -0.094 0.000 2.255 307 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 307 V C 2.484 178.411 176.094 -0.277 0.000 1.051 307 V CA 1.936 64.177 62.300 -0.098 0.000 1.018 307 V CB -0.568 31.274 31.823 0.032 0.000 0.641 307 V HN 0.453 nan 8.190 nan 0.000 0.445 308 K N -0.278 119.781 120.400 -0.569 0.000 2.148 308 K HA -0.100 4.219 4.320 -0.000 0.000 0.204 308 K C 2.421 178.615 176.600 -0.678 0.000 1.050 308 K CA 1.454 57.183 56.287 -0.930 0.000 0.942 308 K CB -0.273 31.137 32.500 -1.818 0.000 0.724 308 K HN 0.359 nan 8.250 nan 0.000 0.446 309 S N 1.485 117.002 115.700 -0.305 0.000 2.368 309 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 309 S C 1.971 176.577 174.600 0.010 0.000 1.030 309 S CA 0.971 59.251 58.200 0.133 0.000 0.999 309 S CB -0.174 63.233 63.200 0.344 0.000 0.844 309 S HN 0.192 nan 8.310 nan 0.000 0.459 310 I N 1.413 121.949 120.570 -0.058 0.000 2.208 310 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 310 I C 2.632 178.695 176.117 -0.090 0.000 1.097 310 I CA 1.184 62.447 61.300 -0.062 0.000 1.363 310 I CB -0.795 37.178 38.000 -0.046 0.000 1.051 310 I HN 0.371 nan 8.210 nan 0.000 0.413 311 G N -0.231 108.478 108.800 -0.152 0.000 2.440 311 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 311 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 311 G C 1.618 176.413 174.900 -0.174 0.000 1.154 311 G CA 0.466 45.462 45.100 -0.174 0.000 0.767 311 G HN 0.297 nan 8.290 nan 0.000 0.552 312 Q N -0.135 119.547 119.800 -0.197 0.000 2.046 312 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 312 Q C 2.489 178.420 176.000 -0.114 0.000 0.975 312 Q CA 1.548 57.203 55.803 -0.246 0.000 0.836 312 Q CB -0.216 28.275 28.738 -0.412 0.000 0.896 312 Q HN 0.584 nan 8.270 nan 0.000 0.428 313 E N 0.091 120.269 120.200 -0.036 0.000 2.106 313 E HA -0.118 4.231 4.350 -0.000 0.000 0.192 313 E C 1.740 178.326 176.600 -0.023 0.000 0.984 313 E CA 1.876 58.273 56.400 -0.004 0.000 0.806 313 E CB -0.051 29.640 29.700 -0.016 0.000 0.750 313 E HN 0.387 nan 8.360 nan 0.000 0.458 314 T N -3.473 111.056 114.554 -0.042 0.000 3.065 314 T HA 0.390 4.739 4.350 -0.000 0.000 0.252 314 T C 1.040 175.715 174.700 -0.041 0.000 1.099 314 T CA 0.435 62.514 62.100 -0.035 0.000 1.063 314 T CB 0.572 69.421 68.868 -0.031 0.000 0.948 314 T HN 0.137 nan 8.240 nan 0.000 0.506 315 A N -0.291 122.492 122.820 -0.062 0.000 2.574 315 A HA 0.675 4.995 4.320 -0.000 0.000 0.246 315 A C 1.482 179.013 177.584 -0.087 0.000 1.025 315 A CA 0.281 52.279 52.037 -0.065 0.000 1.043 315 A CB -0.495 18.465 19.000 -0.066 0.000 1.177 315 A HN 1.207 nan 8.150 nan 0.000 0.526 316 G N -0.376 108.360 108.800 -0.107 0.000 2.296 316 G HA2 0.118 4.077 3.960 -0.000 0.000 0.282 316 G HA3 0.118 4.077 3.960 -0.000 0.000 0.282 316 G C 0.408 175.189 174.900 -0.198 0.000 1.014 316 G CA 0.712 45.722 45.100 -0.150 0.000 0.812 316 G HN 2.051 nan 8.290 nan 0.000 0.508 317 A N -0.274 122.425 122.820 -0.202 0.000 2.410 317 A HA 0.747 5.067 4.320 -0.000 0.000 0.289 317 A C 0.639 178.073 177.584 -0.249 0.000 1.200 317 A CA 0.461 52.379 52.037 -0.199 0.000 0.751 317 A CB 1.114 20.034 19.000 -0.134 0.000 1.161 317 A HN 1.587 nan 8.150 nan 0.000 0.459 318 G N 2.704 111.328 108.800 -0.293 0.000 3.003 318 G HA2 0.423 4.383 3.960 -0.000 0.000 0.266 318 G HA3 0.423 4.383 3.960 -0.000 0.000 0.266 318 G C 0.384 175.042 174.900 -0.403 0.000 0.755 318 G CA 0.737 45.632 45.100 -0.341 0.000 2.061 318 G HN 1.057 nan 8.290 nan 0.000 0.599 319 T N -3.421 110.911 114.554 -0.371 0.000 2.916 319 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 319 T C 0.694 175.208 174.700 -0.310 0.000 1.064 319 T CA -0.980 60.928 62.100 -0.320 0.000 1.011 319 T CB 1.753 70.531 68.868 -0.150 0.000 1.152 319 T HN 0.199 nan 8.240 nan 0.000 0.510 320 W N 0.789 121.983 121.300 -0.177 0.000 2.379 320 W HA -0.027 4.633 4.660 -0.000 0.000 0.307 320 W C 1.593 178.041 176.519 -0.120 0.000 1.200 320 W CA 1.335 58.588 57.345 -0.153 0.000 1.297 320 W CB -0.760 28.607 29.460 -0.155 0.000 1.140 320 W HN 0.770 nan 8.180 nan 0.000 0.507 321 D N -0.066 120.406 120.400 0.120 0.000 2.133 321 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 321 D C 2.162 178.464 176.300 0.003 0.000 0.997 321 D CA 2.153 56.178 54.000 0.043 0.000 0.840 321 D CB -0.638 40.173 40.800 0.017 0.000 0.947 321 D HN 0.057 nan 8.370 nan 0.000 0.452 322 A N 0.122 122.923 122.820 -0.033 0.000 1.975 322 A HA 0.201 4.521 4.320 -0.000 0.000 0.215 322 A C 2.293 179.842 177.584 -0.057 0.000 1.170 322 A CA 1.419 53.423 52.037 -0.054 0.000 0.656 322 A CB -0.511 18.438 19.000 -0.086 0.000 0.821 322 A HN 0.282 nan 8.150 nan 0.000 0.449 323 G N -0.455 108.302 108.800 -0.072 0.000 2.421 323 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 323 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 323 G C 1.233 176.132 174.900 -0.001 0.000 1.143 323 G CA 0.758 45.817 45.100 -0.068 0.000 0.784 323 G HN 0.316 nan 8.290 nan 0.000 0.541 324 L N 0.721 121.965 121.223 0.036 0.000 2.313 324 L HA 0.130 4.470 4.340 -0.000 0.000 0.214 324 L C 2.886 179.767 176.870 0.019 0.000 1.119 324 L CA 0.574 55.442 54.840 0.046 0.000 0.809 324 L CB -0.382 41.712 42.059 0.059 0.000 0.933 324 L HN 0.085 nan 8.230 nan 0.000 0.449 325 V N -0.623 119.294 119.914 0.006 0.000 2.379 325 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 325 V C 2.503 178.598 176.094 0.002 0.000 1.044 325 V CA 1.622 63.922 62.300 -0.001 0.000 1.036 325 V CB -1.071 30.747 31.823 -0.009 0.000 0.664 325 V HN 0.509 nan 8.190 nan 0.000 0.453 326 G N -0.292 108.505 108.800 -0.005 0.000 2.408 326 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 326 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 326 G C 1.666 176.575 174.900 0.015 0.000 1.150 326 G CA 1.150 46.248 45.100 -0.003 0.000 0.776 326 G HN 0.357 nan 8.290 nan 0.000 0.542 327 V N 0.657 120.587 119.914 0.026 0.000 2.295 327 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 327 V C 2.749 178.880 176.094 0.062 0.000 1.049 327 V CA 2.093 64.425 62.300 0.055 0.000 1.024 327 V CB -0.206 31.663 31.823 0.076 0.000 0.648 327 V HN 0.403 nan 8.190 nan 0.000 0.447 328 E N 0.276 120.500 120.200 0.041 0.000 2.110 328 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 328 E C 2.135 178.757 176.600 0.038 0.000 0.988 328 E CA 1.611 58.031 56.400 0.034 0.000 0.804 328 E CB -0.004 29.701 29.700 0.009 0.000 0.745 328 E HN 0.727 nan 8.360 nan 0.000 0.458 329 E N -0.107 120.111 120.200 0.029 0.000 2.112 329 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 329 E C 2.021 178.643 176.600 0.037 0.000 0.979 329 E CA 0.727 57.143 56.400 0.026 0.000 0.814 329 E CB -0.058 29.651 29.700 0.015 0.000 0.762 329 E HN 0.275 nan 8.360 nan 0.000 0.460 330 A N 1.185 124.031 122.820 0.042 0.000 1.933 330 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 330 A C 2.159 179.787 177.584 0.074 0.000 1.175 330 A CA 0.974 53.043 52.037 0.054 0.000 0.628 330 A CB -0.552 18.477 19.000 0.047 0.000 0.814 330 A HN 0.125 nan 8.150 nan 0.000 0.444 331 L N 0.335 121.611 121.223 0.089 0.000 2.056 331 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 331 L C 3.081 180.005 176.870 0.090 0.000 1.078 331 L CA 1.631 56.540 54.840 0.115 0.000 0.749 331 L CB -0.426 41.736 42.059 0.171 0.000 0.901 331 L HN 0.622 nan 8.230 nan 0.000 0.433 332 S N -0.373 115.369 115.700 0.069 0.000 2.382 332 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 332 S C 2.079 176.704 174.600 0.042 0.000 1.027 332 S CA 0.944 59.175 58.200 0.051 0.000 0.991 332 S CB -1.056 62.167 63.200 0.038 0.000 0.823 332 S HN 0.427 nan 8.310 nan 0.000 0.469 333 G N 1.303 110.129 108.800 0.044 0.000 2.448 333 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 333 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 333 G C 1.288 176.212 174.900 0.040 0.000 1.127 333 G CA 0.902 46.026 45.100 0.039 0.000 0.766 333 G HN 0.518 nan 8.290 nan 0.000 0.552 334 L N 0.147 121.402 121.223 0.053 0.000 2.558 334 L HA 0.400 4.740 4.340 -0.000 0.000 0.225 334 L C 1.844 178.721 176.870 0.013 0.000 1.128 334 L CA 1.412 56.278 54.840 0.043 0.000 0.868 334 L CB 0.150 42.260 42.059 0.085 0.000 1.006 334 L HN 0.363 nan 8.230 nan 0.000 0.454 335 G N -1.595 107.219 108.800 0.024 0.000 2.192 335 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.193 335 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.193 335 G C 0.098 175.016 174.900 0.031 0.000 0.999 335 G CA -0.031 45.079 45.100 0.017 0.000 0.659 335 G HN 0.144 nan 8.290 nan 0.000 0.503 336 V N 1.964 121.909 119.914 0.051 0.000 2.488 336 V HA 0.401 4.521 4.120 -0.000 0.000 0.277 336 V C 0.479 176.617 176.094 0.073 0.000 1.046 336 V CA -0.266 62.080 62.300 0.077 0.000 0.986 336 V CB 1.566 33.465 31.823 0.127 0.000 0.989 336 V HN 0.345 nan 8.190 nan 0.000 0.475 337 D N 4.097 124.536 120.400 0.065 0.000 2.342 337 D HA 0.025 4.665 4.640 -0.000 0.000 0.260 337 D C 1.283 177.618 176.300 0.059 0.000 1.278 337 D CA 0.144 54.175 54.000 0.052 0.000 0.910 337 D CB 1.119 41.944 40.800 0.041 0.000 1.079 337 D HN 0.757 nan 8.370 nan 0.000 0.496 338 T N 0.905 115.485 114.554 0.045 0.000 3.272 338 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 338 T C 1.560 176.258 174.700 -0.002 0.000 1.082 338 T CA 0.173 62.288 62.100 0.025 0.000 0.968 338 T CB 0.212 69.092 68.868 0.020 0.000 1.015 338 T HN 0.246 nan 8.240 nan 0.000 0.563 339 A N 1.458 124.282 122.820 0.006 0.000 1.930 339 A HA 0.308 4.628 4.320 -0.000 0.000 0.217 339 A C 2.441 180.018 177.584 -0.012 0.000 1.175 339 A CA 1.171 53.207 52.037 -0.002 0.000 0.627 339 A CB -1.148 17.855 19.000 0.005 0.000 0.815 339 A HN 0.625 nan 8.150 nan 0.000 0.443 340 G N -1.246 107.547 108.800 -0.011 0.000 2.880 340 G HA2 0.342 4.302 3.960 -0.000 0.000 0.209 340 G HA3 0.342 4.302 3.960 -0.000 0.000 0.209 340 G C 0.447 175.315 174.900 -0.054 0.000 1.157 340 G CA -0.282 44.806 45.100 -0.020 0.000 0.779 340 G HN 0.370 nan 8.290 nan 0.000 0.539 341 L N 1.586 122.760 121.223 -0.083 0.000 2.331 341 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 341 L C -0.583 176.214 176.870 -0.121 0.000 1.106 341 L CA -0.437 54.308 54.840 -0.158 0.000 0.824 341 L CB 1.883 43.805 42.059 -0.228 0.000 1.142 341 L HN -0.185 nan 8.230 nan 0.000 0.443 342 V N 5.625 125.463 119.914 -0.127 0.000 2.407 342 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 342 V C -0.368 175.661 176.094 -0.108 0.000 1.018 342 V CA -0.544 61.700 62.300 -0.094 0.000 0.842 342 V CB 1.747 33.529 31.823 -0.067 0.000 0.996 342 V HN 0.421 nan 8.190 nan 0.000 0.426 343 L N 4.494 125.662 121.223 -0.091 0.000 2.280 343 L HA 0.559 4.899 4.340 -0.000 0.000 0.287 343 L C 0.744 177.578 176.870 -0.059 0.000 1.023 343 L CA 0.182 54.976 54.840 -0.076 0.000 0.819 343 L CB 1.030 43.054 42.059 -0.058 0.000 1.212 343 L HN 0.504 nan 8.230 nan 0.000 0.420 344 N N 0.756 119.416 118.700 -0.067 0.000 2.332 344 N HA 0.053 4.793 4.740 -0.000 0.000 0.190 344 N C -0.633 174.777 175.510 -0.167 0.000 1.117 344 N CA 0.281 53.264 53.050 -0.111 0.000 0.883 344 N CB 0.733 39.154 38.487 -0.109 0.000 1.089 344 N HN 0.828 nan 8.380 nan 0.000 0.480 345 D N -3.425 116.938 120.400 -0.062 0.000 2.692 345 D HA 0.311 4.951 4.640 -0.000 0.000 0.303 345 D C 0.737 177.123 176.300 0.143 0.000 1.278 345 D CA -0.624 53.373 54.000 -0.006 0.000 0.852 345 D CB 0.406 41.209 40.800 0.005 0.000 1.375 345 D HN -0.104 nan 8.370 nan 0.000 0.453 346 G N -1.161 107.795 108.800 0.260 0.000 2.603 346 G HA2 0.014 3.973 3.960 -0.000 0.000 0.214 346 G HA3 0.014 3.973 3.960 -0.000 0.000 0.214 346 G C 1.068 176.134 174.900 0.277 0.000 1.140 346 G CA 0.816 46.074 45.100 0.262 0.000 0.800 346 G HN 0.575 nan 8.290 nan 0.000 0.533 347 S N -0.929 114.938 115.700 0.278 0.000 2.486 347 S HA 0.353 4.823 4.470 -0.000 0.000 0.220 347 S C 1.929 176.610 174.600 0.134 0.000 1.011 347 S CA 1.110 59.452 58.200 0.237 0.000 0.921 347 S CB 0.082 63.415 63.200 0.222 0.000 0.785 347 S HN 1.394 nan 8.310 nan 0.000 0.517 348 G N 1.154 110.019 108.800 0.108 0.000 2.176 348 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 348 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 348 G C 0.515 175.388 174.900 -0.044 0.000 0.979 348 G CA 0.366 45.485 45.100 0.033 0.000 0.641 348 G HN 0.473 nan 8.290 nan 0.000 0.530 349 L N 0.752 121.933 121.223 -0.069 0.000 2.093 349 L HA 0.138 4.478 4.340 -0.000 0.000 0.208 349 L C 1.960 178.708 176.870 -0.204 0.000 1.085 349 L CA 1.563 56.243 54.840 -0.266 0.000 0.755 349 L CB -0.313 41.371 42.059 -0.624 0.000 0.904 349 L HN 0.453 nan 8.230 nan 0.000 0.435 350 S N -0.243 115.496 115.700 0.065 0.000 2.549 350 S HA 0.059 4.529 4.470 -0.000 0.000 0.279 350 S C 1.039 175.611 174.600 -0.045 0.000 1.321 350 S CA -0.376 57.892 58.200 0.114 0.000 1.054 350 S CB 0.769 64.055 63.200 0.143 0.000 0.899 350 S HN 0.264 nan 8.310 nan 0.000 0.497 351 R N 3.052 123.496 120.500 -0.093 0.000 2.319 351 R HA 0.106 4.446 4.340 -0.000 0.000 0.204 351 R C 1.584 177.858 176.300 -0.042 0.000 0.954 351 R CA 0.501 56.542 56.100 -0.098 0.000 1.066 351 R CB -0.118 30.102 30.300 -0.133 0.000 0.991 351 R HN 0.746 nan 8.270 nan 0.000 0.486 352 G N -0.141 108.639 108.800 -0.034 0.000 3.233 352 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.234 352 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.234 352 G C 0.139 175.012 174.900 -0.045 0.000 1.137 352 G CA -0.365 44.715 45.100 -0.034 0.000 0.763 352 G HN 0.110 nan 8.290 nan 0.000 0.549 353 N N 0.516 119.189 118.700 -0.045 0.000 2.513 353 N HA 0.548 5.288 4.740 -0.000 0.000 0.274 353 N C -0.835 174.641 175.510 -0.056 0.000 1.189 353 N CA 0.173 53.190 53.050 -0.055 0.000 0.975 353 N CB 1.873 40.333 38.487 -0.044 0.000 1.157 353 N HN -0.006 nan 8.380 nan 0.000 0.465 354 L N 0.949 122.126 121.223 -0.076 0.000 2.505 354 L HA 0.410 4.750 4.340 -0.000 0.000 0.266 354 L C -0.079 176.728 176.870 -0.105 0.000 0.954 354 L CA -0.866 53.934 54.840 -0.067 0.000 0.852 354 L CB 1.943 43.972 42.059 -0.050 0.000 1.282 354 L HN 0.257 nan 8.230 nan 0.000 0.403 355 V N -0.611 119.258 119.914 -0.074 0.000 3.229 355 V HA 0.951 5.070 4.120 -0.000 0.000 0.310 355 V C -0.092 176.000 176.094 -0.004 0.000 1.206 355 V CA -0.391 61.866 62.300 -0.072 0.000 1.051 355 V CB 2.021 33.843 31.823 -0.001 0.000 1.183 355 V HN 0.833 nan 8.190 nan 0.000 0.466 356 T N -2.906 111.671 114.554 0.037 0.000 2.906 356 T HA 0.763 5.113 4.350 -0.000 0.000 0.295 356 T C 0.749 175.500 174.700 0.086 0.000 1.075 356 T CA -0.092 62.039 62.100 0.052 0.000 1.005 356 T CB 1.611 70.503 68.868 0.040 0.000 1.136 356 T HN 1.560 nan 8.240 nan 0.000 0.498 357 A N 1.115 123.979 122.820 0.074 0.000 1.972 357 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 357 A C 1.880 179.512 177.584 0.081 0.000 1.169 357 A CA 1.626 53.711 52.037 0.079 0.000 0.635 357 A CB -0.992 18.055 19.000 0.078 0.000 0.810 357 A HN 0.896 nan 8.150 nan 0.000 0.446 358 D N -0.125 120.320 120.400 0.074 0.000 2.104 358 D HA -0.118 4.521 4.640 -0.000 0.000 0.194 358 D C 2.082 178.437 176.300 0.092 0.000 0.994 358 D CA 2.046 56.088 54.000 0.071 0.000 0.830 358 D CB -0.756 40.078 40.800 0.055 0.000 0.959 358 D HN 0.437 nan 8.370 nan 0.000 0.452 359 T N 0.632 115.259 114.554 0.121 0.000 2.720 359 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 359 T C 2.284 177.132 174.700 0.248 0.000 1.037 359 T CA 0.946 63.162 62.100 0.192 0.000 1.144 359 T CB -0.453 68.544 68.868 0.214 0.000 0.864 359 T HN -0.015 nan 8.240 nan 0.000 0.444 360 V N 1.157 121.208 119.914 0.229 0.000 2.295 360 V HA -0.140 3.979 4.120 -0.000 0.000 0.246 360 V C 2.708 178.794 176.094 -0.014 0.000 1.049 360 V CA 1.264 63.623 62.300 0.098 0.000 1.024 360 V CB -0.777 31.086 31.823 0.068 0.000 0.648 360 V HN 0.313 nan 8.190 nan 0.000 0.447 361 V N 0.310 120.237 119.914 0.022 0.000 2.343 361 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 361 V C 2.415 178.532 176.094 0.039 0.000 1.051 361 V CA 2.269 64.581 62.300 0.020 0.000 1.036 361 V CB -0.658 31.195 31.823 0.051 0.000 0.654 361 V HN 0.597 nan 8.190 nan 0.000 0.451 362 D N 0.070 120.503 120.400 0.055 0.000 2.106 362 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 362 D C 2.040 178.360 176.300 0.033 0.000 0.997 362 D CA 1.589 55.622 54.000 0.055 0.000 0.834 362 D CB -0.255 40.590 40.800 0.075 0.000 0.956 362 D HN 0.290 nan 8.370 nan 0.000 0.448 363 L N 0.528 121.758 121.223 0.011 0.000 2.013 363 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 363 L C 2.332 179.178 176.870 -0.041 0.000 1.073 363 L CA 1.614 56.412 54.840 -0.070 0.000 0.753 363 L CB -0.823 41.056 42.059 -0.299 0.000 0.890 363 L HN 0.149 nan 8.230 nan 0.000 0.432 364 L N -0.711 120.515 121.223 0.004 0.000 2.191 364 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 364 L C 2.432 179.449 176.870 0.246 0.000 1.103 364 L CA 1.032 55.947 54.840 0.125 0.000 0.769 364 L CB -1.188 40.823 42.059 -0.080 0.000 0.908 364 L HN 0.481 nan 8.230 nan 0.000 0.438 365 G N -1.145 107.727 108.800 0.120 0.000 2.404 365 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 365 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 365 G C 1.465 176.368 174.900 0.005 0.000 1.189 365 G CA 0.050 45.203 45.100 0.088 0.000 0.789 365 G HN 0.223 nan 8.290 nan 0.000 0.533 366 Q N 0.637 120.416 119.800 -0.035 0.000 2.226 366 Q HA 0.039 4.379 4.340 -0.000 0.000 0.204 366 Q C 2.676 178.537 176.000 -0.232 0.000 0.975 366 Q CA 1.268 57.009 55.803 -0.103 0.000 0.866 366 Q CB -0.538 28.158 28.738 -0.069 0.000 0.915 366 Q HN 0.476 nan 8.270 nan 0.000 0.440 367 A N 0.168 122.836 122.820 -0.253 0.000 2.123 367 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 367 A C 2.139 179.456 177.584 -0.445 0.000 1.152 367 A CA 1.046 52.756 52.037 -0.546 0.000 0.728 367 A CB -0.360 18.134 19.000 -0.843 0.000 0.814 367 A HN 0.393 nan 8.150 nan 0.000 0.464 368 G N -0.240 108.462 108.800 -0.164 0.000 2.623 368 G HA2 0.043 4.003 3.960 -0.000 0.000 0.214 368 G HA3 0.043 4.003 3.960 -0.000 0.000 0.214 368 G C 1.562 176.340 174.900 -0.203 0.000 1.138 368 G CA 1.254 46.263 45.100 -0.151 0.000 0.794 368 G HN 0.752 nan 8.290 nan 0.000 0.535 369 S N -0.432 115.122 115.700 -0.243 0.000 2.511 369 S HA 0.591 5.061 4.470 -0.000 0.000 0.214 369 S C 1.244 175.645 174.600 -0.332 0.000 0.997 369 S CA 0.423 58.487 58.200 -0.226 0.000 0.908 369 S CB 0.316 63.420 63.200 -0.160 0.000 0.803 369 S HN 0.453 nan 8.310 nan 0.000 0.504 370 A N 2.874 125.357 122.820 -0.562 0.000 2.407 370 A HA 0.564 4.883 4.320 -0.000 0.000 0.248 370 A C -0.999 176.143 177.584 -0.737 0.000 1.082 370 A CA -1.356 50.176 52.037 -0.841 0.000 0.785 370 A CB -0.157 17.830 19.000 -1.689 0.000 1.020 370 A HN 0.213 nan 8.150 nan 0.000 0.489 371 P HA -0.185 nan 4.420 nan 0.000 0.217 371 P C 0.991 178.189 177.300 -0.169 0.000 1.158 371 P CA 1.936 64.874 63.100 -0.270 0.000 0.887 371 P CB -0.146 31.481 31.700 -0.122 0.000 0.792 372 W N -1.726 119.577 121.300 0.006 0.000 3.466 372 W HA 0.538 5.197 4.660 -0.000 0.000 0.323 372 W C 0.974 177.542 176.519 0.083 0.000 1.264 372 W CA 0.101 57.474 57.345 0.048 0.000 1.750 372 W CB -1.486 28.010 29.460 0.060 0.000 1.040 372 W HN -0.088 nan 8.180 nan 0.000 0.742 373 A N 0.876 123.689 122.820 -0.013 0.000 2.070 373 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 373 A C 2.240 179.992 177.584 0.279 0.000 1.159 373 A CA 1.333 53.403 52.037 0.056 0.000 0.656 373 A CB -0.402 18.513 19.000 -0.140 0.000 0.800 373 A HN 0.390 nan 8.150 nan 0.000 0.453 374 Q N -0.718 119.216 119.800 0.223 0.000 2.259 374 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 374 Q C 2.199 178.330 176.000 0.218 0.000 0.938 374 Q CA 1.707 57.619 55.803 0.182 0.000 0.872 374 Q CB -0.017 28.785 28.738 0.108 0.000 0.971 374 Q HN 0.803 nan 8.270 nan 0.000 0.494 375 T N -1.292 113.423 114.554 0.269 0.000 2.904 375 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 375 T C 1.552 176.426 174.700 0.290 0.000 1.059 375 T CA 0.704 62.949 62.100 0.242 0.000 1.137 375 T CB -0.732 68.269 68.868 0.223 0.000 0.879 375 T HN 0.476 nan 8.240 nan 0.000 0.467 376 W N 3.271 124.708 121.300 0.229 0.000 2.335 376 W HA -0.220 4.440 4.660 -0.000 0.000 0.311 376 W C 2.208 178.838 176.519 0.184 0.000 1.213 376 W CA 2.101 59.589 57.345 0.238 0.000 1.274 376 W CB -0.757 28.976 29.460 0.455 0.000 1.148 376 W HN 0.487 nan 8.180 nan 0.000 0.498 377 S N 0.715 116.535 115.700 0.199 0.000 2.470 377 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 377 S C 2.046 176.649 174.600 0.007 0.000 1.006 377 S CA 0.893 59.120 58.200 0.045 0.000 0.934 377 S CB -0.548 62.746 63.200 0.157 0.000 0.778 377 S HN 0.239 nan 8.310 nan 0.000 0.517 378 A N 2.149 124.999 122.820 0.051 0.000 2.015 378 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 378 A C 2.432 180.010 177.584 -0.010 0.000 1.163 378 A CA 1.595 53.653 52.037 0.034 0.000 0.646 378 A CB -1.037 18.006 19.000 0.071 0.000 0.806 378 A HN 0.835 nan 8.150 nan 0.000 0.448 379 S N -0.557 115.116 115.700 -0.044 0.000 2.489 379 S HA 0.173 4.643 4.470 -0.000 0.000 0.228 379 S C 0.666 175.148 174.600 -0.197 0.000 0.995 379 S CA -0.172 57.976 58.200 -0.087 0.000 0.934 379 S CB -0.610 62.547 63.200 -0.072 0.000 0.771 379 S HN 0.377 nan 8.310 nan 0.000 0.522 380 L N 2.468 123.549 121.223 -0.237 0.000 2.416 380 L HA 0.342 4.681 4.340 -0.000 0.000 0.272 380 L C -2.379 174.369 176.870 -0.203 0.000 1.161 380 L CA -2.216 52.460 54.840 -0.273 0.000 0.845 380 L CB 0.036 41.926 42.059 -0.282 0.000 1.119 380 L HN 0.023 nan 8.230 nan 0.000 0.464 381 P HA -0.049 nan 4.420 nan 0.000 0.263 381 P C -0.775 176.454 177.300 -0.118 0.000 1.175 381 P CA 0.085 63.071 63.100 -0.190 0.000 0.761 381 P CB 0.445 32.026 31.700 -0.197 0.000 0.794 382 V N 3.300 123.160 119.914 -0.091 0.000 2.347 382 V HA 0.426 4.546 4.120 -0.000 0.000 0.280 382 V C 0.606 176.673 176.094 -0.045 0.000 1.021 382 V CA -1.080 61.189 62.300 -0.052 0.000 0.847 382 V CB 0.859 32.661 31.823 -0.035 0.000 0.990 382 V HN 0.677 nan 8.190 nan 0.000 0.444 383 A N 4.053 126.853 122.820 -0.034 0.000 2.573 383 A HA 0.431 4.751 4.320 -0.000 0.000 0.250 383 A C 1.477 179.042 177.584 -0.032 0.000 1.049 383 A CA 0.802 52.820 52.037 -0.031 0.000 0.767 383 A CB -0.682 18.303 19.000 -0.025 0.000 0.965 383 A HN 2.305 nan 8.150 nan 0.000 0.514 384 G N 2.175 110.958 108.800 -0.028 0.000 2.295 384 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.287 384 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.287 384 G C -0.202 174.689 174.900 -0.014 0.000 1.055 384 G CA 0.389 45.477 45.100 -0.021 0.000 0.922 384 G HN 0.859 nan 8.290 nan 0.000 0.503 385 E N 0.120 120.312 120.200 -0.013 0.000 2.145 385 E HA 0.385 4.735 4.350 -0.000 0.000 0.270 385 E C 1.223 177.831 176.600 0.012 0.000 0.906 385 E CA 0.095 56.495 56.400 -0.001 0.000 0.761 385 E CB 1.409 31.108 29.700 -0.003 0.000 1.116 385 E HN 0.415 nan 8.360 nan 0.000 0.408 386 S N 1.170 116.884 115.700 0.023 0.000 2.522 386 S HA -0.085 4.384 4.470 -0.000 0.000 0.227 386 S C 0.687 175.324 174.600 0.062 0.000 0.986 386 S CA 0.034 58.255 58.200 0.036 0.000 0.929 386 S CB 0.129 63.347 63.200 0.030 0.000 0.769 386 S HN 0.381 nan 8.310 nan 0.000 0.529 387 D N 3.519 123.961 120.400 0.071 0.000 2.363 387 D HA 0.161 4.801 4.640 -0.000 0.000 0.263 387 D C -1.701 174.691 176.300 0.153 0.000 1.258 387 D CA -1.845 52.226 54.000 0.118 0.000 0.907 387 D CB 1.352 42.218 40.800 0.111 0.000 1.107 387 D HN 0.078 nan 8.370 nan 0.000 0.495 388 P HA -0.111 nan 4.420 nan 0.000 0.218 388 P C 0.868 178.249 177.300 0.136 0.000 1.146 388 P CA 0.906 64.154 63.100 0.248 0.000 0.813 388 P CB 0.027 31.941 31.700 0.357 0.000 0.778 389 F N -2.131 117.905 119.950 0.144 0.000 2.789 389 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 389 F C 1.954 177.716 175.800 -0.063 0.000 1.132 389 F CA 0.535 58.566 58.000 0.051 0.000 1.404 389 F CB -0.211 38.881 39.000 0.153 0.000 1.114 389 F HN -0.251 nan 8.300 nan 0.000 0.584 390 V N -1.547 118.420 119.914 0.089 0.000 2.627 390 V HA 0.145 4.265 4.120 -0.000 0.000 0.239 390 V C 2.416 178.473 176.094 -0.061 0.000 1.077 390 V CA 1.442 63.753 62.300 0.018 0.000 1.103 390 V CB -0.838 31.012 31.823 0.044 0.000 0.802 390 V HN 0.260 nan 8.190 nan 0.000 0.482 391 G N -0.732 108.033 108.800 -0.057 0.000 2.453 391 G HA2 0.330 4.289 3.960 -0.000 0.000 0.215 391 G HA3 0.330 4.289 3.960 -0.000 0.000 0.215 391 G C 1.198 176.003 174.900 -0.159 0.000 1.147 391 G CA 1.063 46.114 45.100 -0.081 0.000 0.802 391 G HN 0.817 nan 8.290 nan 0.000 0.535 392 G N 0.275 108.922 108.800 -0.255 0.000 2.651 392 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.315 392 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.315 392 G C 1.495 176.286 174.900 -0.181 0.000 1.258 392 G CA 2.418 47.255 45.100 -0.439 0.000 1.002 392 G HN 1.219 nan 8.290 nan 0.000 0.551 393 T N -0.541 113.905 114.554 -0.179 0.000 3.163 393 T HA 0.347 4.697 4.350 -0.000 0.000 0.260 393 T C 1.951 176.606 174.700 -0.074 0.000 1.156 393 T CA 1.505 63.553 62.100 -0.087 0.000 1.072 393 T CB 0.050 68.863 68.868 -0.092 0.000 0.937 393 T HN 0.469 nan 8.240 nan 0.000 0.528 394 L N -0.043 121.127 121.223 -0.087 0.000 2.769 394 L HA 0.492 4.832 4.340 -0.000 0.000 0.240 394 L C 2.520 179.363 176.870 -0.045 0.000 1.163 394 L CA 0.029 54.832 54.840 -0.062 0.000 0.962 394 L CB -0.225 41.794 42.059 -0.066 0.000 1.258 394 L HN 0.316 nan 8.230 nan 0.000 0.513 395 A N 0.693 123.490 122.820 -0.038 0.000 1.930 395 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 395 A C 1.492 179.071 177.584 -0.010 0.000 1.175 395 A CA 1.532 53.559 52.037 -0.018 0.000 0.627 395 A CB -0.429 18.572 19.000 0.003 0.000 0.815 395 A HN 0.559 nan 8.150 nan 0.000 0.443 396 N N -0.921 117.773 118.700 -0.010 0.000 2.279 396 N HA 0.185 4.924 4.740 -0.000 0.000 0.226 396 N C -0.270 175.230 175.510 -0.015 0.000 1.126 396 N CA -0.160 52.885 53.050 -0.008 0.000 0.846 396 N CB 0.458 38.942 38.487 -0.004 0.000 1.050 396 N HN 0.309 nan 8.380 nan 0.000 0.502 397 R N 0.314 120.801 120.500 -0.021 0.000 2.637 397 R HA 0.417 4.757 4.340 -0.000 0.000 0.291 397 R C 0.149 176.433 176.300 -0.026 0.000 0.963 397 R CA -0.646 55.439 56.100 -0.025 0.000 0.901 397 R CB 1.223 31.506 30.300 -0.029 0.000 1.160 397 R HN 0.088 nan 8.270 nan 0.000 0.457 398 M N 0.399 119.983 119.600 -0.027 0.000 2.872 398 M HA -0.257 4.223 4.480 -0.000 0.000 0.200 398 M C -0.516 175.769 176.300 -0.026 0.000 0.582 398 M CA 1.005 56.287 55.300 -0.030 0.000 0.706 398 M CB -1.033 31.545 32.600 -0.036 0.000 2.560 398 M HN 0.530 nan 8.290 nan 0.000 0.476 399 R N 0.896 121.384 120.500 -0.020 0.000 2.370 399 R HA 0.325 4.665 4.340 -0.000 0.000 0.309 399 R C 1.309 177.601 176.300 -0.013 0.000 1.059 399 R CA 1.045 57.136 56.100 -0.015 0.000 0.981 399 R CB 0.400 30.694 30.300 -0.010 0.000 0.972 399 R HN 0.568 nan 8.270 nan 0.000 0.437 400 G N 1.910 110.703 108.800 -0.012 0.000 2.131 400 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.223 400 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.223 400 G C 0.175 175.068 174.900 -0.011 0.000 0.990 400 G CA 0.345 45.440 45.100 -0.009 0.000 0.671 400 G HN 0.715 nan 8.290 nan 0.000 0.521 401 T N -3.505 111.040 114.554 -0.016 0.000 2.942 401 T HA 0.806 5.156 4.350 -0.000 0.000 0.289 401 T C 1.609 176.299 174.700 -0.016 0.000 1.044 401 T CA 0.413 62.503 62.100 -0.017 0.000 1.023 401 T CB 1.773 70.624 68.868 -0.027 0.000 1.123 401 T HN 1.459 nan 8.240 nan 0.000 0.512 402 A N 0.675 123.491 122.820 -0.006 0.000 2.084 402 A HA 0.153 4.472 4.320 -0.000 0.000 0.221 402 A C 2.386 179.944 177.584 -0.042 0.000 1.161 402 A CA 1.958 54.001 52.037 0.010 0.000 0.653 402 A CB -1.367 17.660 19.000 0.044 0.000 0.802 402 A HN 1.292 nan 8.150 nan 0.000 0.457 403 A N -0.643 122.143 122.820 -0.057 0.000 2.072 403 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 403 A C 1.081 178.614 177.584 -0.086 0.000 1.156 403 A CA 0.476 52.461 52.037 -0.086 0.000 0.701 403 A CB -0.270 18.687 19.000 -0.072 0.000 0.816 403 A HN 0.607 nan 8.150 nan 0.000 0.458 404 E N -0.069 120.094 120.200 -0.062 0.000 2.480 404 E HA 0.262 4.612 4.350 -0.000 0.000 0.258 404 E C 1.179 177.741 176.600 -0.063 0.000 0.984 404 E CA 0.602 56.972 56.400 -0.050 0.000 0.930 404 E CB -0.099 29.582 29.700 -0.031 0.000 0.936 404 E HN 0.681 nan 8.360 nan 0.000 0.466 405 G N 2.704 111.472 108.800 -0.054 0.000 2.212 405 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.266 405 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.266 405 G C 0.690 175.542 174.900 -0.080 0.000 0.978 405 G CA 0.407 45.476 45.100 -0.051 0.000 0.632 405 G HN 0.476 nan 8.290 nan 0.000 0.537 406 V N -0.082 119.756 119.914 -0.127 0.000 2.602 406 V HA 0.223 4.343 4.120 -0.000 0.000 0.235 406 V C 1.783 177.831 176.094 -0.077 0.000 1.087 406 V CA 0.943 63.126 62.300 -0.195 0.000 1.117 406 V CB 0.201 31.745 31.823 -0.465 0.000 0.820 406 V HN 0.207 nan 8.190 nan 0.000 0.490 407 V N 2.285 122.172 119.914 -0.045 0.000 2.479 407 V HA 0.090 4.209 4.120 -0.000 0.000 0.281 407 V C -0.026 176.103 176.094 0.059 0.000 1.031 407 V CA 0.176 62.504 62.300 0.047 0.000 1.038 407 V CB 0.250 32.103 31.823 0.050 0.000 0.981 407 V HN 0.550 nan 8.190 nan 0.000 0.478 408 E N 4.215 124.478 120.200 0.105 0.000 2.092 408 E HA 0.707 5.057 4.350 -0.000 0.000 0.271 408 E C -0.277 176.315 176.600 -0.015 0.000 0.919 408 E CA -0.231 56.197 56.400 0.047 0.000 0.760 408 E CB 1.641 31.397 29.700 0.092 0.000 1.106 408 E HN 0.809 nan 8.360 nan 0.000 0.408 409 A N 3.085 125.851 122.820 -0.091 0.000 2.574 409 A HA 0.545 4.864 4.320 -0.000 0.000 0.297 409 A C -1.242 176.208 177.584 -0.224 0.000 1.062 409 A CA -0.931 50.989 52.037 -0.195 0.000 0.686 409 A CB 1.495 20.451 19.000 -0.073 0.000 1.285 409 A HN 0.380 nan 8.150 nan 0.000 0.403 410 K N 1.399 121.624 120.400 -0.292 0.000 2.248 410 K HA 0.533 4.853 4.320 -0.000 0.000 0.281 410 K C 0.609 177.095 176.600 -0.190 0.000 1.054 410 K CA 0.372 56.503 56.287 -0.260 0.000 0.903 410 K CB 0.553 32.873 32.500 -0.300 0.000 1.077 410 K HN 0.882 nan 8.250 nan 0.000 0.474 411 T N 0.357 114.819 114.554 -0.154 0.000 2.754 411 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 411 T C 0.357 174.995 174.700 -0.104 0.000 0.997 411 T CA -0.419 61.614 62.100 -0.111 0.000 0.982 411 T CB 1.192 70.002 68.868 -0.098 0.000 1.027 411 T HN 0.622 nan 8.240 nan 0.000 0.529 412 G N 0.057 108.808 108.800 -0.081 0.000 2.378 412 G HA2 0.489 4.449 3.960 -0.000 0.000 0.306 412 G HA3 0.489 4.449 3.960 -0.000 0.000 0.306 412 G C -0.992 173.868 174.900 -0.067 0.000 1.413 412 G CA -0.685 44.370 45.100 -0.076 0.000 1.123 412 G HN 0.839 nan 8.290 nan 0.000 0.587 413 T N 2.578 117.079 114.554 -0.089 0.000 2.912 413 T HA 0.832 5.182 4.350 -0.000 0.000 0.299 413 T C 0.140 174.765 174.700 -0.126 0.000 1.052 413 T CA -0.493 61.560 62.100 -0.078 0.000 0.996 413 T CB 1.668 70.495 68.868 -0.068 0.000 1.070 413 T HN 1.002 nan 8.240 nan 0.000 0.465 414 M N -0.700 118.841 119.600 -0.099 0.000 3.084 414 M HA 0.590 5.070 4.480 -0.000 0.000 0.273 414 M C -0.878 175.385 176.300 -0.062 0.000 1.242 414 M CA -1.152 54.068 55.300 -0.134 0.000 0.819 414 M CB 1.283 33.750 32.600 -0.222 0.000 1.625 414 M HN 0.301 nan 8.290 nan 0.000 0.493 415 S N 1.085 116.759 115.700 -0.044 0.000 2.673 415 S HA 0.343 4.813 4.470 -0.000 0.000 0.308 415 S C 1.183 175.747 174.600 -0.061 0.000 1.246 415 S CA 1.161 59.358 58.200 -0.005 0.000 1.077 415 S CB -0.216 63.026 63.200 0.071 0.000 0.814 415 S HN 1.408 nan 8.310 nan 0.000 0.503 416 G N 1.757 110.461 108.800 -0.159 0.000 2.168 416 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 416 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 416 G C -0.022 174.653 174.900 -0.374 0.000 0.977 416 G CA 0.159 45.001 45.100 -0.431 0.000 0.659 416 G HN 0.896 nan 8.290 nan 0.000 0.533 417 V N -0.527 119.354 119.914 -0.055 0.000 2.733 417 V HA 0.849 4.969 4.120 -0.000 0.000 0.306 417 V C -0.188 175.998 176.094 0.153 0.000 1.084 417 V CA -0.062 62.288 62.300 0.084 0.000 0.905 417 V CB 2.011 33.823 31.823 -0.017 0.000 1.010 417 V HN 0.848 nan 8.190 nan 0.000 0.424 418 S N 2.243 118.035 115.700 0.153 0.000 2.535 418 S HA 0.917 5.387 4.470 -0.000 0.000 0.272 418 S C -1.115 173.492 174.600 0.012 0.000 1.149 418 S CA 0.329 58.554 58.200 0.042 0.000 0.888 418 S CB 1.835 65.022 63.200 -0.022 0.000 1.110 418 S HN 1.679 nan 8.310 nan 0.000 0.463 419 A N 2.228 125.039 122.820 -0.015 0.000 2.587 419 A HA 0.900 5.219 4.320 -0.000 0.000 0.293 419 A C -2.061 175.504 177.584 -0.032 0.000 1.087 419 A CA -0.561 51.466 52.037 -0.016 0.000 0.692 419 A CB 1.766 20.759 19.000 -0.011 0.000 1.291 419 A HN 1.089 nan 8.150 nan 0.000 0.407 420 L N 1.082 122.292 121.223 -0.022 0.000 2.541 420 L HA 0.683 5.023 4.340 -0.000 0.000 0.266 420 L C -0.947 175.834 176.870 -0.149 0.000 0.966 420 L CA 0.337 55.159 54.840 -0.030 0.000 0.871 420 L CB 1.910 44.024 42.059 0.091 0.000 1.232 420 L HN 0.678 nan 8.230 nan 0.000 0.408 421 S N 2.496 117.974 115.700 -0.368 0.000 2.538 421 S HA 1.027 5.497 4.470 -0.000 0.000 0.288 421 S C -0.120 173.940 174.600 -0.901 0.000 1.108 421 S CA -0.144 57.628 58.200 -0.712 0.000 0.971 421 S CB 1.898 64.858 63.200 -0.401 0.000 1.041 421 S HN 1.044 nan 8.310 nan 0.000 0.483 422 G N 0.978 108.941 108.800 -1.394 0.000 2.393 422 G HA2 0.481 4.441 3.960 -0.000 0.000 0.264 422 G HA3 0.481 4.441 3.960 -0.000 0.000 0.264 422 G C -2.491 171.981 174.900 -0.713 0.000 1.221 422 G CA -0.549 43.977 45.100 -0.957 0.000 0.912 422 G HN 0.452 nan 8.290 nan 0.000 0.483 423 Y N -0.612 119.702 120.300 0.024 0.000 2.393 423 Y HA 0.606 5.156 4.550 -0.000 0.000 0.341 423 Y C 0.122 176.181 175.900 0.266 0.000 0.988 423 Y CA -0.969 57.235 58.100 0.173 0.000 1.078 423 Y CB 2.584 41.105 38.460 0.101 0.000 1.203 423 Y HN 0.262 nan 8.280 nan 0.000 0.453 424 V N 5.665 125.836 119.914 0.429 0.000 2.239 424 V HA 0.282 4.402 4.120 -0.000 0.000 0.267 424 V C -2.214 174.017 176.094 0.229 0.000 1.056 424 V CA -2.053 60.403 62.300 0.259 0.000 0.830 424 V CB 0.189 32.115 31.823 0.171 0.000 1.090 424 V HN 0.563 nan 8.190 nan 0.000 0.459 425 P HA 0.236 nan 4.420 nan 0.000 0.269 425 P C 0.246 177.700 177.300 0.257 0.000 1.217 425 P CA 0.580 63.776 63.100 0.161 0.000 0.783 425 P CB 1.190 32.955 31.700 0.109 0.000 0.898 426 G N 0.722 109.630 108.800 0.181 0.000 2.798 426 G HA2 0.581 4.541 3.960 -0.000 0.000 0.286 426 G HA3 0.581 4.541 3.960 -0.000 0.000 0.286 426 G C -2.565 172.359 174.900 0.040 0.000 1.389 426 G CA -0.965 44.211 45.100 0.128 0.000 0.894 426 G HN 0.327 nan 8.290 nan 0.000 0.488 427 P HA 0.332 nan 4.420 nan 0.000 0.241 427 P C -0.122 177.146 177.300 -0.052 0.000 1.783 427 P CA 0.095 63.164 63.100 -0.052 0.000 1.052 427 P CB 0.756 32.402 31.700 -0.090 0.000 1.594 428 E N -0.899 119.282 120.200 -0.033 0.000 3.001 428 E HA 0.341 4.690 4.350 -0.000 0.000 0.211 428 E C 0.469 177.068 176.600 -0.001 0.000 1.026 428 E CA 0.133 56.515 56.400 -0.029 0.000 1.614 428 E CB 0.952 30.624 29.700 -0.047 0.000 1.672 428 E HN 0.233 nan 8.360 nan 0.000 0.869 429 G N 2.335 111.147 108.800 0.020 0.000 2.322 429 G HA2 0.022 3.982 3.960 -0.000 0.000 0.289 429 G HA3 0.022 3.982 3.960 -0.000 0.000 0.289 429 G C -1.488 173.455 174.900 0.071 0.000 1.687 429 G CA -0.661 44.462 45.100 0.038 0.000 0.944 429 G HN 0.053 nan 8.290 nan 0.000 0.718 430 E N 1.119 121.364 120.200 0.076 0.000 2.301 430 E HA 0.563 4.913 4.350 -0.000 0.000 0.275 430 E C -0.791 175.911 176.600 0.170 0.000 1.030 430 E CA -0.737 55.735 56.400 0.119 0.000 0.852 430 E CB 1.075 30.816 29.700 0.068 0.000 1.060 430 E HN 0.224 nan 8.360 nan 0.000 0.401 431 L N 2.670 124.030 121.223 0.228 0.000 2.325 431 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 431 L C -0.155 176.933 176.870 0.363 0.000 1.054 431 L CA -0.348 54.647 54.840 0.257 0.000 0.804 431 L CB 1.307 43.502 42.059 0.227 0.000 1.200 431 L HN 0.715 nan 8.230 nan 0.000 0.436 432 A N 3.842 126.852 122.820 0.315 0.000 2.317 432 A HA 0.851 5.171 4.320 -0.000 0.000 0.327 432 A C -0.953 176.789 177.584 0.263 0.000 1.178 432 A CA -0.369 51.831 52.037 0.271 0.000 0.817 432 A CB 0.628 19.758 19.000 0.217 0.000 1.189 432 A HN 0.597 nan 8.150 nan 0.000 0.489 433 F N 0.069 120.013 119.950 -0.010 0.000 2.645 433 F HA 0.817 5.344 4.527 -0.000 0.000 0.310 433 F C -0.608 175.167 175.800 -0.041 0.000 1.102 433 F CA -0.702 57.290 58.000 -0.013 0.000 0.952 433 F CB 1.589 40.579 39.000 -0.017 0.000 1.326 433 F HN 0.524 nan 8.300 nan 0.000 0.456 434 S N 2.794 118.522 115.700 0.047 0.000 2.720 434 S HA 0.709 5.179 4.470 -0.000 0.000 0.278 434 S C -1.462 173.201 174.600 0.104 0.000 1.172 434 S CA -0.486 57.685 58.200 -0.049 0.000 1.019 434 S CB 0.686 63.862 63.200 -0.039 0.000 1.049 434 S HN 0.682 nan 8.310 nan 0.000 0.483 435 I N 4.515 125.148 120.570 0.105 0.000 2.362 435 I HA 0.550 4.720 4.170 -0.000 0.000 0.289 435 I C -0.862 175.283 176.117 0.047 0.000 0.994 435 I CA -0.852 60.505 61.300 0.095 0.000 1.158 435 I CB 1.911 39.975 38.000 0.107 0.000 1.315 435 I HN 0.317 nan 8.210 nan 0.000 0.451 436 V N 5.978 125.921 119.914 0.050 0.000 2.482 436 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 436 V C -0.567 175.559 176.094 0.054 0.000 1.026 436 V CA -0.764 61.562 62.300 0.044 0.000 0.856 436 V CB 1.630 33.482 31.823 0.048 0.000 1.001 436 V HN 0.667 nan 8.190 nan 0.000 0.424 437 N N 4.506 123.243 118.700 0.061 0.000 2.446 437 N HA 0.468 5.208 4.740 -0.000 0.000 0.265 437 N C -0.990 174.659 175.510 0.231 0.000 0.975 437 N CA -0.328 52.784 53.050 0.103 0.000 0.928 437 N CB 2.012 40.484 38.487 -0.026 0.000 1.160 437 N HN 0.687 nan 8.380 nan 0.000 0.495 438 N N -0.160 118.652 118.700 0.187 0.000 2.272 438 N HA 0.441 5.181 4.740 -0.000 0.000 0.305 438 N C 0.530 176.083 175.510 0.072 0.000 1.103 438 N CA -0.554 52.555 53.050 0.098 0.000 0.791 438 N CB 2.335 40.845 38.487 0.037 0.000 1.356 438 N HN 0.650 nan 8.380 nan 0.000 0.486 439 G N 0.827 109.569 108.800 -0.097 0.000 2.175 439 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 439 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 439 G C -0.138 174.730 174.900 -0.052 0.000 0.982 439 G CA -0.034 45.025 45.100 -0.068 0.000 0.641 439 G HN 0.853 nan 8.290 nan 0.000 0.527 440 H N 0.319 119.393 119.070 0.008 0.000 2.683 440 H HA 0.637 5.193 4.556 -0.000 0.000 0.339 440 H C 1.065 176.397 175.328 0.007 0.000 1.081 440 H CA 0.285 56.337 56.048 0.006 0.000 1.432 440 H CB 1.182 30.945 29.762 0.002 0.000 1.462 440 H HN 0.014 nan 8.280 nan 0.000 0.557 441 S N 2.143 117.880 115.700 0.061 0.000 2.446 441 S HA 0.075 4.544 4.470 -0.000 0.000 0.225 441 S C 1.445 176.076 174.600 0.050 0.000 1.016 441 S CA 0.376 58.588 58.200 0.021 0.000 0.943 441 S CB 0.104 63.318 63.200 0.023 0.000 0.786 441 S HN 0.882 nan 8.310 nan 0.000 0.508 442 G N 1.865 110.729 108.800 0.106 0.000 2.543 442 G HA2 0.518 4.478 3.960 -0.000 0.000 0.267 442 G HA3 0.518 4.478 3.960 -0.000 0.000 0.267 442 G C -2.707 172.269 174.900 0.126 0.000 1.406 442 G CA -1.280 43.874 45.100 0.090 0.000 1.048 442 G HN 0.141 nan 8.290 nan 0.000 0.548 443 P HA 0.352 nan 4.420 nan 0.000 0.270 443 P C 0.044 177.378 177.300 0.058 0.000 1.223 443 P CA -0.130 63.007 63.100 0.060 0.000 0.785 443 P CB 0.322 32.033 31.700 0.019 0.000 0.923 444 A N 3.377 126.216 122.820 0.032 0.000 2.584 444 A HA 0.118 4.438 4.320 -0.000 0.000 0.239 444 A C -1.507 175.994 177.584 -0.138 0.000 1.043 444 A CA -0.487 51.512 52.037 -0.064 0.000 0.756 444 A CB -1.173 17.806 19.000 -0.035 0.000 0.963 444 A HN 0.443 nan 8.150 nan 0.000 0.511 445 P HA 0.127 nan 4.420 nan 0.000 0.225 445 P C 0.722 177.947 177.300 -0.125 0.000 1.768 445 P CA -0.033 62.954 63.100 -0.188 0.000 0.943 445 P CB -0.040 31.507 31.700 -0.256 0.000 1.936 446 L N 0.619 121.787 121.223 -0.091 0.000 2.046 446 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 446 L C 2.547 179.382 176.870 -0.058 0.000 1.077 446 L CA 1.786 56.587 54.840 -0.066 0.000 0.747 446 L CB -1.071 40.957 42.059 -0.052 0.000 0.896 446 L HN 0.119 nan 8.230 nan 0.000 0.432 447 A N -0.347 122.440 122.820 -0.055 0.000 2.015 447 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 447 A C 2.294 179.844 177.584 -0.056 0.000 1.163 447 A CA 1.369 53.376 52.037 -0.049 0.000 0.646 447 A CB -0.594 18.381 19.000 -0.042 0.000 0.806 447 A HN 0.224 nan 8.150 nan 0.000 0.448 448 V N -0.324 119.551 119.914 -0.065 0.000 2.270 448 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 448 V C 2.558 178.608 176.094 -0.073 0.000 1.043 448 V CA 2.132 64.390 62.300 -0.070 0.000 1.014 448 V CB -1.110 30.668 31.823 -0.075 0.000 0.645 448 V HN 0.617 nan 8.190 nan 0.000 0.447 449 Q N 0.100 119.863 119.800 -0.063 0.000 2.077 449 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 449 Q C 2.109 178.076 176.000 -0.054 0.000 0.989 449 Q CA 2.102 57.881 55.803 -0.040 0.000 0.853 449 Q CB -0.340 28.387 28.738 -0.019 0.000 0.907 449 Q HN 0.646 nan 8.270 nan 0.000 0.418 450 D N 0.295 120.663 120.400 -0.054 0.000 2.104 450 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 450 D C 1.792 178.040 176.300 -0.087 0.000 0.994 450 D CA 1.424 55.387 54.000 -0.063 0.000 0.830 450 D CB -0.393 40.377 40.800 -0.050 0.000 0.959 450 D HN 0.301 nan 8.370 nan 0.000 0.452 451 A N 0.907 123.678 122.820 -0.083 0.000 1.883 451 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 451 A C 2.413 179.923 177.584 -0.125 0.000 1.186 451 A CA 1.127 53.110 52.037 -0.089 0.000 0.624 451 A CB -0.790 18.164 19.000 -0.077 0.000 0.822 451 A HN 0.215 nan 8.150 nan 0.000 0.444 452 I N -0.353 120.126 120.570 -0.153 0.000 2.179 452 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 452 I C 2.984 178.928 176.117 -0.287 0.000 1.088 452 I CA 1.099 62.268 61.300 -0.218 0.000 1.357 452 I CB -0.464 37.404 38.000 -0.220 0.000 1.051 452 I HN 0.360 nan 8.210 nan 0.000 0.409 453 A N 0.570 123.204 122.820 -0.311 0.000 1.902 453 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 453 A C 2.452 179.889 177.584 -0.246 0.000 1.181 453 A CA 1.715 53.504 52.037 -0.413 0.000 0.623 453 A CB -0.942 17.881 19.000 -0.295 0.000 0.818 453 A HN 0.238 nan 8.150 nan 0.000 0.443 454 V N 0.061 119.882 119.914 -0.154 0.000 2.295 454 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 454 V C 2.658 178.707 176.094 -0.075 0.000 1.049 454 V CA 2.329 64.572 62.300 -0.093 0.000 1.024 454 V CB -0.801 30.981 31.823 -0.067 0.000 0.648 454 V HN 0.617 nan 8.190 nan 0.000 0.447 455 R N 0.234 120.677 120.500 -0.094 0.000 2.159 455 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 455 R C 1.921 178.192 176.300 -0.049 0.000 1.131 455 R CA 1.627 57.686 56.100 -0.069 0.000 0.982 455 R CB -0.726 29.513 30.300 -0.102 0.000 0.868 455 R HN 0.529 nan 8.270 nan 0.000 0.453 456 L N -0.991 120.162 121.223 -0.117 0.000 2.131 456 L HA 0.085 4.425 4.340 -0.000 0.000 0.206 456 L C 2.333 179.231 176.870 0.047 0.000 1.087 456 L CA 0.965 55.758 54.840 -0.079 0.000 0.767 456 L CB -0.548 41.359 42.059 -0.253 0.000 0.917 456 L HN 0.266 nan 8.230 nan 0.000 0.441 457 A N 0.253 123.080 122.820 0.012 0.000 1.930 457 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 457 A C 2.120 179.803 177.584 0.166 0.000 1.175 457 A CA 1.406 53.504 52.037 0.101 0.000 0.627 457 A CB -0.296 18.711 19.000 0.013 0.000 0.815 457 A HN 0.437 nan 8.150 nan 0.000 0.443 458 E N -1.658 118.602 120.200 0.100 0.000 2.072 458 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 458 E C 1.863 178.512 176.600 0.081 0.000 0.985 458 E CA 1.301 57.750 56.400 0.082 0.000 0.801 458 E CB -0.345 29.387 29.700 0.054 0.000 0.750 458 E HN 0.748 nan 8.360 nan 0.000 0.452 459 Y N 1.240 121.537 120.300 -0.005 0.000 2.207 459 Y HA -0.224 4.326 4.550 -0.000 0.000 0.287 459 Y C 2.058 177.957 175.900 -0.002 0.000 1.156 459 Y CA 1.543 59.639 58.100 -0.007 0.000 1.182 459 Y CB -0.084 38.369 38.460 -0.011 0.000 0.979 459 Y HN -0.009 nan 8.280 nan 0.000 0.521 460 A N -1.060 121.829 122.820 0.115 0.000 2.278 460 A HA 0.405 4.725 4.320 -0.000 0.000 0.212 460 A C 1.643 179.160 177.584 -0.113 0.000 1.213 460 A CA 0.756 52.822 52.037 0.048 0.000 0.840 460 A CB -1.042 18.066 19.000 0.181 0.000 0.866 460 A HN 0.887 nan 8.150 nan 0.000 0.489 461 G N -1.317 107.397 108.800 -0.143 0.000 2.154 461 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.186 461 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.186 461 G C -0.091 174.631 174.900 -0.297 0.000 1.000 461 G CA -0.035 44.922 45.100 -0.239 0.000 0.664 461 G HN 0.607 nan 8.290 nan 0.000 0.513 462 H N 0.311 119.374 119.070 -0.011 0.000 2.502 462 H HA 0.636 5.191 4.556 -0.000 0.000 0.338 462 H C 0.140 175.462 175.328 -0.009 0.000 1.155 462 H CA 0.107 56.151 56.048 -0.007 0.000 1.237 462 H CB 1.324 31.086 29.762 -0.000 0.000 1.534 462 H HN 0.408 nan 8.280 nan 0.000 0.523 463 Q N 0.102 119.977 119.800 0.126 0.000 2.413 463 Q HA 0.534 4.874 4.340 -0.000 0.000 0.276 463 Q C -0.682 175.350 176.000 0.052 0.000 1.099 463 Q CA -1.224 54.617 55.803 0.064 0.000 0.814 463 Q CB 2.858 31.616 28.738 0.033 0.000 1.379 463 Q HN 0.756 nan 8.270 nan 0.000 0.436 464 A N 3.261 126.098 122.820 0.029 0.000 2.561 464 A HA 0.190 4.510 4.320 -0.000 0.000 0.251 464 A C -1.822 175.771 177.584 0.015 0.000 1.062 464 A CA -0.651 51.394 52.037 0.015 0.000 0.761 464 A CB -0.771 18.233 19.000 0.006 0.000 0.986 464 A HN 0.406 nan 8.150 nan 0.000 0.510 465 P HA 0.559 nan 4.420 nan 0.000 0.270 465 P C -0.066 177.239 177.300 0.008 0.000 1.223 465 P CA 0.782 63.889 63.100 0.011 0.000 0.785 465 P CB 0.815 32.519 31.700 0.007 0.000 0.923 466 E N 0.000 120.205 120.200 0.008 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