REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1w8q_1_A 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 GHQAPEG 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 0.000 176.445 176.300 0.242 0.000 0.893 1 R CA 0.000 56.193 56.100 0.155 0.000 0.921 1 R CB 0.000 30.381 30.300 0.134 0.000 0.687 2 L N 1.829 123.195 121.223 0.238 0.000 1.990 2 L HA -0.207 4.132 4.340 -0.001 0.000 0.213 2 L C 1.835 178.750 176.870 0.074 0.000 1.072 2 L CA 2.322 57.263 54.840 0.168 0.000 0.755 2 L CB -0.370 41.768 42.059 0.133 0.000 0.889 2 L HN 0.272 nan 8.230 nan 0.000 0.432 3 T N -1.066 113.530 114.554 0.070 0.000 2.699 3 T HA -0.304 4.045 4.350 -0.001 0.000 0.268 3 T C 1.657 176.386 174.700 0.048 0.000 1.036 3 T CA 1.829 63.958 62.100 0.048 0.000 1.147 3 T CB -0.264 68.629 68.868 0.041 0.000 0.862 3 T HN 0.450 nan 8.240 nan 0.000 0.446 4 E N 0.374 120.610 120.200 0.060 0.000 2.051 4 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 4 E C 2.182 178.805 176.600 0.038 0.000 0.991 4 E CA 0.873 57.305 56.400 0.053 0.000 0.799 4 E CB -0.206 29.534 29.700 0.067 0.000 0.748 4 E HN 0.295 nan 8.360 nan 0.000 0.449 5 L N 1.534 122.774 121.223 0.029 0.000 2.013 5 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 5 L C 2.251 179.099 176.870 -0.037 0.000 1.073 5 L CA 1.877 56.681 54.840 -0.060 0.000 0.753 5 L CB -0.437 41.448 42.059 -0.290 0.000 0.890 5 L HN 0.040 nan 8.230 nan 0.000 0.432 6 R N -0.323 120.199 120.500 0.037 0.000 2.083 6 R HA -0.179 4.160 4.340 -0.001 0.000 0.237 6 R C 2.129 178.518 176.300 0.147 0.000 1.137 6 R CA 1.942 58.149 56.100 0.178 0.000 0.951 6 R CB -0.579 29.802 30.300 0.135 0.000 0.851 6 R HN 0.582 nan 8.270 nan 0.000 0.434 7 E N 0.564 120.809 120.200 0.074 0.000 2.077 7 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 7 E C 1.602 178.220 176.600 0.030 0.000 0.989 7 E CA 1.180 57.612 56.400 0.054 0.000 0.800 7 E CB -0.107 29.613 29.700 0.035 0.000 0.746 7 E HN 0.339 nan 8.360 nan 0.000 0.452 8 D N 0.868 121.271 120.400 0.006 0.000 2.117 8 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 8 D C 2.049 178.312 176.300 -0.061 0.000 0.987 8 D CA 0.907 54.892 54.000 -0.025 0.000 0.829 8 D CB -0.174 40.607 40.800 -0.032 0.000 0.961 8 D HN 0.216 nan 8.370 nan 0.000 0.460 9 I N 1.125 121.630 120.570 -0.108 0.000 2.252 9 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 9 I C 1.833 177.889 176.117 -0.100 0.000 1.102 9 I CA 0.901 62.065 61.300 -0.226 0.000 1.385 9 I CB -0.181 37.448 38.000 -0.619 0.000 1.064 9 I HN -0.149 nan 8.210 nan 0.000 0.414 10 D N 1.332 121.757 120.400 0.043 0.000 2.123 10 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 10 D C 2.238 178.558 176.300 0.034 0.000 0.992 10 D CA 1.657 55.716 54.000 0.097 0.000 0.833 10 D CB -0.161 40.710 40.800 0.117 0.000 0.954 10 D HN 0.361 nan 8.370 nan 0.000 0.455 11 A N 0.781 123.608 122.820 0.011 0.000 1.855 11 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 11 A C 2.418 179.992 177.584 -0.016 0.000 1.191 11 A CA 0.954 52.990 52.037 -0.001 0.000 0.613 11 A CB -0.802 18.195 19.000 -0.005 0.000 0.829 11 A HN 0.190 nan 8.150 nan 0.000 0.442 12 I N -0.164 120.383 120.570 -0.038 0.000 2.194 12 I HA -0.286 3.883 4.170 -0.001 0.000 0.246 12 I C 2.169 178.261 176.117 -0.042 0.000 1.093 12 I CA 1.241 62.510 61.300 -0.051 0.000 1.355 12 I CB -0.357 37.592 38.000 -0.085 0.000 1.046 12 I HN 0.278 nan 8.210 nan 0.000 0.413 13 L N 0.312 121.514 121.223 -0.035 0.000 2.456 13 L HA -0.135 4.204 4.340 -0.001 0.000 0.224 13 L C 2.063 178.934 176.870 0.002 0.000 1.148 13 L CA 0.647 55.479 54.840 -0.013 0.000 0.825 13 L CB -0.444 41.625 42.059 0.017 0.000 0.937 13 L HN 0.250 nan 8.230 nan 0.000 0.450 14 E N -0.022 120.179 120.200 0.001 0.000 2.511 14 E HA -0.079 4.270 4.350 -0.001 0.000 0.196 14 E C 0.123 176.722 176.600 -0.000 0.000 1.066 14 E CA 0.132 56.535 56.400 0.005 0.000 0.871 14 E CB -0.330 29.373 29.700 0.006 0.000 0.863 14 E HN 0.451 nan 8.360 nan 0.000 0.520 15 D N 1.487 121.882 120.400 -0.009 0.000 2.488 15 D HA -0.061 4.579 4.640 -0.001 0.000 0.238 15 D C -1.218 175.080 176.300 -0.004 0.000 1.138 15 D CA -0.931 53.062 54.000 -0.012 0.000 0.873 15 D CB 1.095 41.881 40.800 -0.024 0.000 1.183 15 D HN -0.070 nan 8.370 nan 0.000 0.458 16 P HA -0.102 nan 4.420 nan 0.000 0.230 16 P C 0.554 177.860 177.300 0.009 0.000 1.158 16 P CA 0.496 63.599 63.100 0.005 0.000 0.769 16 P CB 0.165 31.867 31.700 0.003 0.000 0.807 17 A N -0.222 122.598 122.820 -0.001 0.000 2.168 17 A HA 0.018 4.337 4.320 -0.001 0.000 0.215 17 A C 1.904 179.495 177.584 0.012 0.000 1.152 17 A CA 0.644 52.681 52.037 -0.000 0.000 0.716 17 A CB -1.022 17.962 19.000 -0.027 0.000 0.794 17 A HN 0.204 nan 8.150 nan 0.000 0.465 18 L N -0.161 121.070 121.223 0.014 0.000 2.872 18 L HA 0.192 4.532 4.340 -0.001 0.000 0.245 18 L C 0.205 177.106 176.870 0.052 0.000 1.211 18 L CA -0.382 54.479 54.840 0.034 0.000 1.013 18 L CB 0.174 42.240 42.059 0.012 0.000 1.326 18 L HN 0.203 nan 8.230 nan 0.000 0.525 19 E N 0.751 120.980 120.200 0.048 0.000 2.360 19 E HA 0.279 4.628 4.350 -0.001 0.000 0.269 19 E C 1.175 177.803 176.600 0.046 0.000 1.022 19 E CA 0.756 57.180 56.400 0.039 0.000 0.887 19 E CB 0.797 30.514 29.700 0.028 0.000 0.990 19 E HN 0.300 nan 8.360 nan 0.000 0.426 20 G N 2.655 111.476 108.800 0.035 0.000 2.168 20 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.257 20 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.257 20 G C 0.098 175.020 174.900 0.037 0.000 0.997 20 G CA 0.372 45.489 45.100 0.029 0.000 0.708 20 G HN 0.843 nan 8.290 nan 0.000 0.520 21 A N -0.324 122.533 122.820 0.061 0.000 2.304 21 A HA 0.776 5.096 4.320 -0.001 0.000 0.314 21 A C 0.093 177.721 177.584 0.074 0.000 1.187 21 A CA -0.320 51.769 52.037 0.088 0.000 0.810 21 A CB 1.876 20.985 19.000 0.180 0.000 1.183 21 A HN 1.052 nan 8.150 nan 0.000 0.487 22 V N 2.570 122.521 119.914 0.062 0.000 2.488 22 V HA 0.376 4.495 4.120 -0.001 0.000 0.277 22 V C 0.308 176.442 176.094 0.066 0.000 1.046 22 V CA 0.179 62.511 62.300 0.053 0.000 0.986 22 V CB 1.087 32.934 31.823 0.039 0.000 0.989 22 V HN 0.854 nan 8.190 nan 0.000 0.475 23 S N 3.257 118.994 115.700 0.062 0.000 2.605 23 S HA 0.607 5.076 4.470 -0.001 0.000 0.308 23 S C 0.288 174.929 174.600 0.069 0.000 1.113 23 S CA -0.556 57.682 58.200 0.064 0.000 1.049 23 S CB 1.716 64.949 63.200 0.055 0.000 1.001 23 S HN 1.017 nan 8.310 nan 0.000 0.480 24 G N 1.658 110.499 108.800 0.068 0.000 2.320 24 G HA2 0.546 4.505 3.960 -0.001 0.000 0.300 24 G HA3 0.546 4.505 3.960 -0.001 0.000 0.300 24 G C -0.852 174.104 174.900 0.095 0.000 1.126 24 G CA -0.388 44.758 45.100 0.076 0.000 0.896 24 G HN 0.592 nan 8.290 nan 0.000 0.436 25 V N 3.239 123.232 119.914 0.132 0.000 2.525 25 V HA 0.503 4.623 4.120 -0.001 0.000 0.299 25 V C -0.481 175.752 176.094 0.232 0.000 1.034 25 V CA -0.608 61.792 62.300 0.166 0.000 0.863 25 V CB 1.772 33.691 31.823 0.161 0.000 0.999 25 V HN 0.561 nan 8.190 nan 0.000 0.423 26 V N 5.323 125.352 119.914 0.192 0.000 2.686 26 V HA 0.671 4.790 4.120 -0.001 0.000 0.306 26 V C -0.729 175.481 176.094 0.194 0.000 1.065 26 V CA -0.616 61.799 62.300 0.191 0.000 0.894 26 V CB 2.375 34.270 31.823 0.121 0.000 1.004 26 V HN 0.577 nan 8.190 nan 0.000 0.424 27 V N 4.721 124.754 119.914 0.199 0.000 2.686 27 V HA 0.710 4.830 4.120 -0.001 0.000 0.306 27 V C -0.726 175.453 176.094 0.141 0.000 1.065 27 V CA -0.542 61.863 62.300 0.176 0.000 0.894 27 V CB 2.128 34.026 31.823 0.126 0.000 1.004 27 V HN 0.620 nan 8.190 nan 0.000 0.424 28 V N 2.318 122.316 119.914 0.140 0.000 2.841 28 V HA 0.472 4.592 4.120 -0.001 0.000 0.310 28 V C -0.861 175.316 176.094 0.138 0.000 1.090 28 V CA -0.666 61.706 62.300 0.120 0.000 0.930 28 V CB 2.427 34.311 31.823 0.102 0.000 1.014 28 V HN 0.892 nan 8.190 nan 0.000 0.425 29 D N 2.251 122.727 120.400 0.126 0.000 2.393 29 D HA 0.171 4.810 4.640 -0.001 0.000 0.232 29 D C 1.271 177.640 176.300 0.114 0.000 1.192 29 D CA 0.163 54.245 54.000 0.135 0.000 0.882 29 D CB 1.642 42.521 40.800 0.132 0.000 1.038 29 D HN 0.632 nan 8.370 nan 0.000 0.499 30 T N 2.562 117.193 114.554 0.129 0.000 2.653 30 T HA -0.226 4.124 4.350 -0.001 0.000 0.268 30 T C 1.687 176.428 174.700 0.069 0.000 1.035 30 T CA 1.878 64.043 62.100 0.108 0.000 1.154 30 T CB -0.046 68.896 68.868 0.123 0.000 0.862 30 T HN 0.575 nan 8.240 nan 0.000 0.441 31 A N 1.908 124.767 122.820 0.065 0.000 1.830 31 A HA -0.149 4.171 4.320 -0.001 0.000 0.214 31 A C 2.679 180.288 177.584 0.041 0.000 1.218 31 A CA 2.849 54.912 52.037 0.043 0.000 0.628 31 A CB -1.619 17.406 19.000 0.042 0.000 0.860 31 A HN 0.602 nan 8.150 nan 0.000 0.454 32 T N -3.273 111.310 114.554 0.049 0.000 2.849 32 T HA 0.203 4.552 4.350 -0.001 0.000 0.270 32 T C 1.634 176.361 174.700 0.044 0.000 1.066 32 T CA 1.889 64.015 62.100 0.044 0.000 1.130 32 T CB -0.741 68.158 68.868 0.051 0.000 0.864 32 T HN 2.179 nan 8.240 nan 0.000 0.481 33 G N 1.007 109.839 108.800 0.054 0.000 2.176 33 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.253 33 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.253 33 G C -0.156 174.775 174.900 0.053 0.000 0.979 33 G CA 0.346 45.476 45.100 0.051 0.000 0.641 33 G HN 0.974 nan 8.290 nan 0.000 0.530 34 E N 0.775 121.011 120.200 0.060 0.000 2.398 34 E HA 0.280 4.629 4.350 -0.001 0.000 0.263 34 E C 0.033 176.671 176.600 0.064 0.000 1.046 34 E CA -0.272 56.163 56.400 0.059 0.000 0.908 34 E CB 0.314 30.055 29.700 0.068 0.000 0.963 34 E HN 0.310 nan 8.360 nan 0.000 0.431 35 E N 5.786 126.016 120.200 0.050 0.000 1.986 35 E HA 0.062 4.411 4.350 -0.001 0.000 0.264 35 E C 0.750 177.379 176.600 0.048 0.000 1.023 35 E CA -0.213 56.218 56.400 0.050 0.000 0.834 35 E CB 0.303 30.021 29.700 0.031 0.000 1.111 35 E HN 0.680 nan 8.360 nan 0.000 0.417 36 L N 3.902 125.164 121.223 0.065 0.000 2.131 36 L HA -0.045 4.295 4.340 -0.001 0.000 0.210 36 L C 0.523 177.455 176.870 0.105 0.000 1.092 36 L CA 1.064 55.932 54.840 0.046 0.000 0.759 36 L CB -0.229 41.827 42.059 -0.005 0.000 0.903 36 L HN 0.513 nan 8.230 nan 0.000 0.435 37 Y N -1.504 118.779 120.300 -0.029 0.000 2.620 37 Y HA 0.457 5.006 4.550 -0.001 0.000 0.331 37 Y C -1.042 174.858 175.900 0.000 0.000 1.173 37 Y CA -1.180 56.905 58.100 -0.026 0.000 1.076 37 Y CB 1.712 40.143 38.460 -0.048 0.000 1.336 37 Y HN -0.234 nan 8.280 nan 0.000 0.459 38 S N 4.345 119.892 115.700 -0.256 0.000 2.560 38 S HA 0.676 5.146 4.470 -0.001 0.000 0.283 38 S C -2.175 172.320 174.600 -0.175 0.000 1.141 38 S CA -0.738 57.428 58.200 -0.057 0.000 0.902 38 S CB 1.139 64.313 63.200 -0.044 0.000 1.104 38 S HN 0.897 nan 8.310 nan 0.000 0.454 39 R N 3.233 123.750 120.500 0.028 0.000 2.549 39 R HA 0.361 4.701 4.340 -0.001 0.000 0.291 39 R C -1.207 175.128 176.300 0.058 0.000 1.164 39 R CA -0.209 55.910 56.100 0.031 0.000 0.973 39 R CB 0.481 30.866 30.300 0.141 0.000 1.210 39 R HN 0.727 nan 8.270 nan 0.000 0.422 40 D N 2.923 123.339 120.400 0.027 0.000 2.837 40 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 40 D C 0.924 177.247 176.300 0.039 0.000 1.152 40 D CA 1.440 55.459 54.000 0.031 0.000 0.736 40 D CB -0.897 39.927 40.800 0.040 0.000 1.084 40 D HN 0.902 nan 8.370 nan 0.000 0.429 41 G N 0.265 109.088 108.800 0.038 0.000 2.479 41 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.220 41 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.220 41 G C 1.469 176.392 174.900 0.038 0.000 1.115 41 G CA 0.996 46.124 45.100 0.047 0.000 0.757 41 G HN 0.478 nan 8.290 nan 0.000 0.560 42 G N -0.546 108.269 108.800 0.026 0.000 3.126 42 G HA2 0.272 4.231 3.960 -0.001 0.000 0.224 42 G HA3 0.272 4.231 3.960 -0.001 0.000 0.224 42 G C 0.277 175.187 174.900 0.017 0.000 1.142 42 G CA -0.156 44.957 45.100 0.020 0.000 0.759 42 G HN 0.366 nan 8.290 nan 0.000 0.550 43 E N 1.367 121.580 120.200 0.021 0.000 2.299 43 E HA 0.166 4.515 4.350 -0.001 0.000 0.272 43 E C 0.280 176.889 176.600 0.015 0.000 1.043 43 E CA -0.130 56.281 56.400 0.018 0.000 0.895 43 E CB 0.231 29.946 29.700 0.024 0.000 1.011 43 E HN 0.293 nan 8.360 nan 0.000 0.432 44 Q N 4.012 123.815 119.800 0.006 0.000 2.296 44 Q HA 0.320 4.660 4.340 -0.001 0.000 0.263 44 Q C -0.510 175.490 176.000 0.000 0.000 1.026 44 Q CA 0.089 55.890 55.803 -0.003 0.000 0.912 44 Q CB 0.611 29.342 28.738 -0.012 0.000 1.198 44 Q HN 0.497 nan 8.270 nan 0.000 0.407 45 L N 2.006 123.230 121.223 0.001 0.000 2.376 45 L HA 0.499 4.838 4.340 -0.001 0.000 0.258 45 L C -0.518 176.350 176.870 -0.003 0.000 1.013 45 L CA -1.077 53.767 54.840 0.007 0.000 0.822 45 L CB 1.556 43.630 42.059 0.024 0.000 1.388 45 L HN 0.412 nan 8.230 nan 0.000 0.413 46 L N 3.157 124.379 121.223 -0.002 0.000 2.410 46 L HA 0.180 4.520 4.340 -0.001 0.000 0.273 46 L C -1.452 175.419 176.870 0.001 0.000 1.152 46 L CA -1.050 53.783 54.840 -0.012 0.000 0.855 46 L CB 0.662 42.709 42.059 -0.019 0.000 1.129 46 L HN 0.439 nan 8.230 nan 0.000 0.463 47 P HA 0.042 nan 4.420 nan 0.000 0.252 47 P C 0.676 177.983 177.300 0.012 0.000 1.218 47 P CA 0.871 63.986 63.100 0.024 0.000 0.807 47 P CB 0.879 32.612 31.700 0.054 0.000 1.072 48 A N 0.696 123.508 122.820 -0.014 0.000 5.585 48 A HA -0.265 4.054 4.320 -0.001 0.000 0.295 48 A C 1.823 179.396 177.584 -0.019 0.000 1.985 48 A CA 1.539 53.552 52.037 -0.040 0.000 0.716 48 A CB -2.457 16.514 19.000 -0.048 0.000 1.237 48 A HN 0.162 nan 8.150 nan 0.000 0.371 49 S N 0.360 116.038 115.700 -0.038 0.000 2.474 49 S HA -0.108 4.361 4.470 -0.001 0.000 0.235 49 S C 1.461 176.057 174.600 -0.007 0.000 0.997 49 S CA 1.455 59.639 58.200 -0.026 0.000 0.949 49 S CB -0.621 62.539 63.200 -0.066 0.000 0.766 49 S HN 0.652 nan 8.310 nan 0.000 0.517 50 N N 1.300 120.002 118.700 0.003 0.000 2.430 50 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 50 N C 1.463 177.066 175.510 0.154 0.000 1.032 50 N CA 0.631 53.697 53.050 0.028 0.000 0.893 50 N CB -0.280 38.230 38.487 0.038 0.000 0.957 50 N HN 0.275 nan 8.380 nan 0.000 0.442 51 M N 0.876 120.582 119.600 0.177 0.000 2.279 51 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 51 M C 1.284 177.774 176.300 0.316 0.000 1.062 51 M CA 1.503 56.973 55.300 0.283 0.000 1.099 51 M CB -0.023 32.663 32.600 0.143 0.000 1.394 51 M HN -0.062 nan 8.290 nan 0.000 0.426 52 K N -0.347 120.163 120.400 0.184 0.000 2.209 52 K HA -0.119 4.200 4.320 -0.001 0.000 0.204 52 K C 1.844 178.536 176.600 0.153 0.000 1.048 52 K CA 1.174 57.571 56.287 0.182 0.000 0.940 52 K CB -0.399 32.090 32.500 -0.018 0.000 0.729 52 K HN 0.412 nan 8.250 nan 0.000 0.451 53 L N -0.245 121.023 121.223 0.075 0.000 1.989 53 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 53 L C 2.141 179.069 176.870 0.098 0.000 1.071 53 L CA 1.550 56.398 54.840 0.014 0.000 0.749 53 L CB -0.471 41.477 42.059 -0.184 0.000 0.890 53 L HN 0.114 nan 8.230 nan 0.000 0.431 54 F N -0.455 119.607 119.950 0.188 0.000 2.171 54 F HA -0.195 4.333 4.527 0.001 0.000 0.300 54 F C 2.640 178.532 175.800 0.154 0.000 1.090 54 F CA 1.519 59.611 58.000 0.153 0.000 1.293 54 F CB -1.113 37.947 39.000 0.100 0.000 1.013 54 F HN 0.010 nan 8.300 nan 0.000 0.486 55 T N -0.220 114.545 114.554 0.352 0.000 2.777 55 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 55 T C 2.324 177.181 174.700 0.261 0.000 1.040 55 T CA 1.179 63.449 62.100 0.282 0.000 1.141 55 T CB -0.613 68.446 68.868 0.318 0.000 0.868 55 T HN 0.288 nan 8.240 nan 0.000 0.444 56 A N 1.604 124.630 122.820 0.344 0.000 1.877 56 A HA 0.146 4.465 4.320 -0.001 0.000 0.216 56 A C 2.648 180.343 177.584 0.185 0.000 1.186 56 A CA 1.867 54.118 52.037 0.357 0.000 0.620 56 A CB -1.173 18.047 19.000 0.368 0.000 0.822 56 A HN 0.497 nan 8.150 nan 0.000 0.443 57 A N -0.075 122.856 122.820 0.185 0.000 1.858 57 A HA 0.135 4.455 4.320 -0.001 0.000 0.216 57 A C 2.549 180.024 177.584 -0.181 0.000 1.190 57 A CA 2.299 54.215 52.037 -0.202 0.000 0.617 57 A CB -1.195 17.705 19.000 -0.167 0.000 0.827 57 A HN 1.152 nan 8.150 nan 0.000 0.443 58 A N -0.145 122.677 122.820 0.003 0.000 1.917 58 A HA 0.068 4.387 4.320 -0.001 0.000 0.219 58 A C 2.502 180.062 177.584 -0.039 0.000 1.182 58 A CA 2.391 54.439 52.037 0.018 0.000 0.633 58 A CB -1.055 17.992 19.000 0.078 0.000 0.819 58 A HN 1.142 nan 8.150 nan 0.000 0.448 59 A N -0.406 122.390 122.820 -0.039 0.000 1.902 59 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 59 A C 2.169 179.661 177.584 -0.153 0.000 1.181 59 A CA 1.515 53.516 52.037 -0.061 0.000 0.623 59 A CB -0.566 18.435 19.000 0.001 0.000 0.818 59 A HN 0.486 nan 8.150 nan 0.000 0.443 60 L N -0.800 120.225 121.223 -0.329 0.000 2.093 60 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 60 L C 2.681 179.334 176.870 -0.362 0.000 1.085 60 L CA 1.081 55.583 54.840 -0.563 0.000 0.755 60 L CB -0.466 40.725 42.059 -1.447 0.000 0.904 60 L HN 0.355 nan 8.230 nan 0.000 0.435 61 E N -0.118 119.956 120.200 -0.209 0.000 2.028 61 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 61 E C 2.311 178.931 176.600 0.034 0.000 0.988 61 E CA 1.232 57.672 56.400 0.066 0.000 0.799 61 E CB -0.153 29.617 29.700 0.117 0.000 0.755 61 E HN 0.292 nan 8.360 nan 0.000 0.447 62 V N 0.985 120.890 119.914 -0.015 0.000 2.446 62 V HA -0.124 3.996 4.120 -0.001 0.000 0.244 62 V C 2.366 178.427 176.094 -0.055 0.000 1.039 62 V CA 1.092 63.380 62.300 -0.019 0.000 1.045 62 V CB -0.280 31.528 31.823 -0.025 0.000 0.681 62 V HN 0.127 nan 8.190 nan 0.000 0.459 63 L N -0.403 120.750 121.223 -0.117 0.000 2.269 63 L HA 0.534 4.873 4.340 -0.001 0.000 0.200 63 L C 1.165 178.009 176.870 -0.044 0.000 1.069 63 L CA 0.849 55.557 54.840 -0.220 0.000 0.804 63 L CB -0.482 41.301 42.059 -0.460 0.000 0.987 63 L HN 0.504 nan 8.230 nan 0.000 0.468 64 G N -0.558 108.216 108.800 -0.043 0.000 2.721 64 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.686 64 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.686 64 G C 0.600 175.521 174.900 0.035 0.000 1.236 64 G CA -0.263 44.844 45.100 0.013 0.000 0.786 64 G HN 0.271 nan 8.290 nan 0.000 0.616 65 A N 1.112 123.961 122.820 0.050 0.000 1.958 65 A HA -0.122 4.197 4.320 -0.001 0.000 0.221 65 A C 2.154 179.776 177.584 0.063 0.000 1.178 65 A CA 2.880 54.961 52.037 0.073 0.000 0.642 65 A CB -0.705 18.368 19.000 0.120 0.000 0.816 65 A HN 1.642 nan 8.150 nan 0.000 0.453 66 D N -1.300 119.133 120.400 0.055 0.000 2.144 66 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 66 D C 1.091 177.373 176.300 -0.031 0.000 0.984 66 D CA 1.066 55.076 54.000 0.016 0.000 0.834 66 D CB -0.692 40.118 40.800 0.016 0.000 0.955 66 D HN 0.670 nan 8.370 nan 0.000 0.465 67 H N 0.067 119.065 119.070 -0.121 0.000 3.119 67 H HA 0.159 4.715 4.556 -0.001 0.000 0.334 67 H C -0.021 175.083 175.328 -0.375 0.000 1.042 67 H CA 0.893 56.794 56.048 -0.246 0.000 1.354 67 H CB 0.417 30.023 29.762 -0.261 0.000 1.285 67 H HN 0.256 nan 8.280 nan 0.000 0.601 68 S N 2.870 118.030 115.700 -0.899 0.000 2.638 68 S HA 0.606 5.075 4.470 -0.001 0.000 0.274 68 S C -1.496 172.464 174.600 -1.067 0.000 1.157 68 S CA -1.046 56.712 58.200 -0.738 0.000 0.826 68 S CB 1.357 64.331 63.200 -0.377 0.000 1.139 68 S HN 0.378 nan 8.310 nan 0.000 0.474 69 F N 0.118 119.962 119.950 -0.177 0.000 2.522 69 F HA 0.838 5.364 4.527 -0.001 0.000 0.324 69 F C 0.920 176.591 175.800 -0.216 0.000 1.077 69 F CA -0.391 57.507 58.000 -0.171 0.000 0.944 69 F CB 2.113 41.053 39.000 -0.101 0.000 1.175 69 F HN 1.007 nan 8.300 nan 0.000 0.468 70 G N -0.082 108.657 108.800 -0.101 0.000 2.498 70 G HA2 0.662 4.621 3.960 -0.001 0.000 0.312 70 G HA3 0.662 4.621 3.960 -0.001 0.000 0.312 70 G C -1.565 173.249 174.900 -0.142 0.000 1.230 70 G CA -0.776 44.236 45.100 -0.148 0.000 0.968 70 G HN 0.539 nan 8.290 nan 0.000 0.481 71 T N 0.959 115.455 114.554 -0.096 0.000 2.921 71 T HA 0.572 4.921 4.350 -0.001 0.000 0.297 71 T C -0.750 173.894 174.700 -0.092 0.000 1.013 71 T CA -0.534 61.507 62.100 -0.100 0.000 0.990 71 T CB 2.143 70.981 68.868 -0.050 0.000 1.023 71 T HN 0.575 nan 8.240 nan 0.000 0.447 72 E N 0.997 121.128 120.200 -0.116 0.000 2.410 72 E HA 0.747 5.096 4.350 -0.001 0.000 0.269 72 E C -1.250 175.297 176.600 -0.087 0.000 0.937 72 E CA -1.109 55.242 56.400 -0.083 0.000 0.793 72 E CB 2.482 32.141 29.700 -0.068 0.000 1.314 72 E HN 0.236 nan 8.360 nan 0.000 0.447 73 V N 0.691 120.585 119.914 -0.034 0.000 2.588 73 V HA 0.778 4.898 4.120 -0.001 0.000 0.304 73 V C -0.808 175.345 176.094 0.100 0.000 1.042 73 V CA -0.582 61.724 62.300 0.010 0.000 0.877 73 V CB 1.474 33.322 31.823 0.041 0.000 0.996 73 V HN 0.791 nan 8.190 nan 0.000 0.425 74 A N 3.291 126.225 122.820 0.189 0.000 2.515 74 A HA 1.024 5.344 4.320 -0.001 0.000 0.298 74 A C -0.587 177.229 177.584 0.387 0.000 1.059 74 A CA -0.128 52.057 52.037 0.247 0.000 0.698 74 A CB 1.995 21.133 19.000 0.229 0.000 1.289 74 A HN 1.503 nan 8.150 nan 0.000 0.404 75 A N 0.139 123.135 122.820 0.293 0.000 2.430 75 A HA 0.730 5.049 4.320 -0.001 0.000 0.300 75 A C 0.666 178.209 177.584 -0.067 0.000 1.124 75 A CA 0.094 52.256 52.037 0.207 0.000 0.766 75 A CB 1.036 20.085 19.000 0.082 0.000 1.328 75 A HN 0.961 nan 8.150 nan 0.000 0.424 76 E N 0.014 119.808 120.200 -0.677 0.000 2.051 76 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 76 E C 0.540 176.860 176.600 -0.466 0.000 0.991 76 E CA 1.531 57.213 56.400 -1.197 0.000 0.799 76 E CB 0.042 28.867 29.700 -1.458 0.000 0.748 76 E HN 0.753 nan 8.360 nan 0.000 0.449 77 S N -1.243 114.282 115.700 -0.292 0.000 2.546 77 S HA 0.690 5.159 4.470 -0.001 0.000 0.274 77 S C -0.396 174.152 174.600 -0.087 0.000 1.121 77 S CA -0.670 57.437 58.200 -0.155 0.000 0.887 77 S CB 1.754 64.865 63.200 -0.148 0.000 1.094 77 S HN 0.285 nan 8.310 nan 0.000 0.474 78 A N 2.760 125.552 122.820 -0.048 0.000 2.521 78 A HA 0.527 4.847 4.320 -0.001 0.000 0.237 78 A C -1.715 175.854 177.584 -0.024 0.000 1.087 78 A CA -0.522 51.502 52.037 -0.022 0.000 0.777 78 A CB -1.029 17.964 19.000 -0.013 0.000 1.035 78 A HN 0.790 nan 8.150 nan 0.000 0.510 79 P HA 0.446 nan 4.420 nan 0.000 0.275 79 P C 0.386 177.678 177.300 -0.013 0.000 1.266 79 P CA 0.472 63.566 63.100 -0.011 0.000 0.793 79 P CB 1.132 32.831 31.700 -0.001 0.000 1.074 80 G N -0.629 108.164 108.800 -0.013 0.000 3.354 80 G HA2 0.174 4.133 3.960 -0.001 0.000 0.174 80 G HA3 0.174 4.133 3.960 -0.001 0.000 0.174 80 G C 1.019 175.913 174.900 -0.010 0.000 1.140 80 G CA -0.208 44.885 45.100 -0.013 0.000 0.897 80 G HN 0.444 nan 8.290 nan 0.000 0.685 81 R N -0.174 120.320 120.500 -0.010 0.000 2.196 81 R HA -0.115 4.225 4.340 -0.001 0.000 0.227 81 R C 2.108 178.404 176.300 -0.008 0.000 1.108 81 R CA 1.940 58.035 56.100 -0.009 0.000 0.884 81 R CB -0.177 30.118 30.300 -0.009 0.000 0.839 81 R HN 0.213 nan 8.270 nan 0.000 0.431 82 R N -0.000 120.495 120.500 -0.008 0.000 2.325 82 R HA 0.104 4.443 4.340 -0.001 0.000 0.214 82 R C 0.753 177.048 176.300 -0.008 0.000 0.961 82 R CA 0.698 56.793 56.100 -0.008 0.000 1.086 82 R CB -0.512 29.784 30.300 -0.007 0.000 1.037 82 R HN 0.699 nan 8.270 nan 0.000 0.493 83 G N 1.678 110.474 108.800 -0.007 0.000 2.341 83 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.292 83 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.292 83 G C -0.242 174.654 174.900 -0.005 0.000 1.021 83 G CA 0.469 45.565 45.100 -0.006 0.000 0.905 83 G HN 0.441 nan 8.290 nan 0.000 0.508 84 E N -1.335 118.861 120.200 -0.006 0.000 2.250 84 E HA 0.704 5.053 4.350 -0.001 0.000 0.269 84 E C 0.372 176.971 176.600 -0.003 0.000 1.018 84 E CA -0.379 56.019 56.400 -0.004 0.000 0.873 84 E CB 2.278 31.976 29.700 -0.005 0.000 1.134 84 E HN 0.739 nan 8.360 nan 0.000 0.403 85 V N -1.460 118.457 119.914 0.006 0.000 3.147 85 V HA 0.311 4.431 4.120 -0.001 0.000 0.306 85 V C -0.132 175.979 176.094 0.028 0.000 1.209 85 V CA -0.913 61.394 62.300 0.012 0.000 1.023 85 V CB 1.887 33.727 31.823 0.029 0.000 1.059 85 V HN 0.532 nan 8.190 nan 0.000 0.435 86 Q N 0.640 120.465 119.800 0.041 0.000 1.738 86 Q HA 0.308 4.647 4.340 -0.001 0.000 0.471 86 Q C -0.229 175.848 176.000 0.129 0.000 0.931 86 Q CA 0.716 56.566 55.803 0.077 0.000 0.869 86 Q CB -0.099 28.690 28.738 0.085 0.000 1.561 86 Q HN 0.919 nan 8.270 nan 0.000 0.400 87 D N 0.650 121.189 120.400 0.233 0.000 2.302 87 D HA 0.349 4.988 4.640 -0.001 0.000 0.248 87 D C -0.490 176.001 176.300 0.318 0.000 1.094 87 D CA 0.029 54.212 54.000 0.305 0.000 0.897 87 D CB 0.909 42.021 40.800 0.520 0.000 1.200 87 D HN 0.066 nan 8.370 nan 0.000 0.429 88 L N 2.322 123.652 121.223 0.178 0.000 2.362 88 L HA 0.378 4.717 4.340 -0.001 0.000 0.275 88 L C -1.342 175.583 176.870 0.092 0.000 0.998 88 L CA -0.856 54.115 54.840 0.217 0.000 0.820 88 L CB 1.228 43.395 42.059 0.180 0.000 1.270 88 L HN 0.343 nan 8.230 nan 0.000 0.415 89 Y N 3.851 124.300 120.300 0.249 0.000 2.364 89 Y HA 0.400 4.949 4.550 -0.001 0.000 0.340 89 Y C -0.333 175.597 175.900 0.050 0.000 0.975 89 Y CA -0.592 57.604 58.100 0.161 0.000 1.089 89 Y CB 2.090 40.595 38.460 0.075 0.000 1.192 89 Y HN 0.337 nan 8.280 nan 0.000 0.454 90 L N 5.035 126.314 121.223 0.093 0.000 2.262 90 L HA 0.619 4.958 4.340 -0.001 0.000 0.288 90 L C -1.252 175.592 176.870 -0.043 0.000 1.035 90 L CA -0.525 54.243 54.840 -0.121 0.000 0.820 90 L CB 0.644 42.519 42.059 -0.306 0.000 1.204 90 L HN 0.409 nan 8.230 nan 0.000 0.424 91 V N 5.292 125.166 119.914 -0.066 0.000 2.328 91 V HA 0.665 4.784 4.120 -0.001 0.000 0.278 91 V C 0.769 176.780 176.094 -0.138 0.000 1.021 91 V CA -0.348 61.909 62.300 -0.072 0.000 0.838 91 V CB 0.952 32.733 31.823 -0.069 0.000 0.999 91 V HN 0.880 nan 8.190 nan 0.000 0.447 92 G N 3.930 112.644 108.800 -0.143 0.000 2.356 92 G HA2 0.593 4.552 3.960 -0.001 0.000 0.322 92 G HA3 0.593 4.552 3.960 -0.001 0.000 0.322 92 G C -0.028 174.690 174.900 -0.303 0.000 1.125 92 G CA -0.673 44.309 45.100 -0.197 0.000 0.885 92 G HN 0.648 nan 8.290 nan 0.000 0.467 93 R N 1.464 121.717 120.500 -0.411 0.000 2.834 93 R HA 0.328 4.667 4.340 -0.001 0.000 0.362 93 R C 0.950 176.973 176.300 -0.462 0.000 1.147 93 R CA 0.151 55.794 56.100 -0.762 0.000 1.125 93 R CB 0.930 30.564 30.300 -1.109 0.000 1.361 93 R HN 1.023 nan 8.270 nan 0.000 0.598 94 G N 1.192 109.755 108.800 -0.396 0.000 2.136 94 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.242 94 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.242 94 G C -0.275 174.432 174.900 -0.321 0.000 0.989 94 G CA 0.166 45.108 45.100 -0.263 0.000 0.682 94 G HN 0.474 nan 8.290 nan 0.000 0.522 95 D N 0.792 121.065 120.400 -0.213 0.000 2.358 95 D HA 0.389 5.028 4.640 -0.001 0.000 0.258 95 D C -0.326 175.808 176.300 -0.277 0.000 1.223 95 D CA -1.646 52.218 54.000 -0.226 0.000 0.886 95 D CB 1.141 41.925 40.800 -0.027 0.000 1.120 95 D HN 0.189 nan 8.370 nan 0.000 0.482 96 P HA 0.045 nan 4.420 nan 0.000 0.255 96 P C 0.292 177.468 177.300 -0.206 0.000 1.248 96 P CA 0.326 63.237 63.100 -0.314 0.000 0.807 96 P CB 0.201 31.524 31.700 -0.628 0.000 1.150 97 T N -4.115 110.268 114.554 -0.284 0.000 3.145 97 T HA 0.200 4.550 4.350 -0.001 0.000 0.281 97 T C 0.535 175.190 174.700 -0.075 0.000 1.003 97 T CA -0.379 61.478 62.100 -0.406 0.000 0.901 97 T CB -0.396 67.879 68.868 -0.989 0.000 1.112 97 T HN -0.056 nan 8.240 nan 0.000 0.535 98 L N 4.294 125.511 121.223 -0.010 0.000 2.638 98 L HA 0.228 4.567 4.340 -0.001 0.000 0.273 98 L C 0.730 177.629 176.870 0.049 0.000 1.147 98 L CA 0.009 54.851 54.840 0.004 0.000 0.941 98 L CB 0.079 42.128 42.059 -0.017 0.000 1.251 98 L HN 0.578 nan 8.230 nan 0.000 0.479 99 S N 3.223 118.946 115.700 0.039 0.000 2.707 99 S HA 0.437 4.906 4.470 -0.001 0.000 0.276 99 S C 1.039 175.647 174.600 0.014 0.000 1.179 99 S CA -0.179 58.062 58.200 0.069 0.000 0.992 99 S CB 1.768 65.025 63.200 0.095 0.000 1.030 99 S HN 0.636 nan 8.310 nan 0.000 0.554 100 A N -0.120 122.718 122.820 0.029 0.000 2.014 100 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 100 A C 2.074 179.665 177.584 0.012 0.000 1.163 100 A CA 1.274 53.329 52.037 0.029 0.000 0.652 100 A CB -0.997 18.026 19.000 0.038 0.000 0.808 100 A HN 0.976 nan 8.150 nan 0.000 0.449 101 E N 0.143 120.342 120.200 -0.001 0.000 2.031 101 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 101 E C 1.214 177.789 176.600 -0.041 0.000 0.994 101 E CA 1.361 57.755 56.400 -0.010 0.000 0.800 101 E CB -0.122 29.577 29.700 -0.003 0.000 0.752 101 E HN 0.519 nan 8.360 nan 0.000 0.447 102 D N 0.696 121.028 120.400 -0.112 0.000 2.116 102 D HA -0.202 4.437 4.640 -0.001 0.000 0.193 102 D C 2.132 178.350 176.300 -0.136 0.000 0.998 102 D CA 0.921 54.757 54.000 -0.273 0.000 0.836 102 D CB -0.350 40.106 40.800 -0.574 0.000 0.951 102 D HN 0.258 nan 8.370 nan 0.000 0.449 103 L N 0.725 121.921 121.223 -0.046 0.000 2.083 103 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 103 L C 2.266 179.231 176.870 0.159 0.000 1.083 103 L CA 1.204 56.100 54.840 0.093 0.000 0.752 103 L CB -0.349 41.797 42.059 0.144 0.000 0.899 103 L HN 0.067 nan 8.230 nan 0.000 0.433 104 D N 0.245 120.687 120.400 0.070 0.000 2.117 104 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 104 D C 2.095 178.422 176.300 0.045 0.000 0.982 104 D CA 1.297 55.324 54.000 0.044 0.000 0.828 104 D CB 0.387 41.197 40.800 0.016 0.000 0.967 104 D HN 0.281 nan 8.370 nan 0.000 0.464 105 A N 0.701 123.540 122.820 0.032 0.000 1.940 105 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 105 A C 2.401 180.026 177.584 0.068 0.000 1.176 105 A CA 1.377 53.435 52.037 0.036 0.000 0.631 105 A CB -0.531 18.480 19.000 0.019 0.000 0.814 105 A HN 0.293 nan 8.150 nan 0.000 0.446 106 M N -0.988 118.675 119.600 0.104 0.000 2.236 106 M HA -0.043 4.437 4.480 -0.001 0.000 0.266 106 M C 2.486 178.934 176.300 0.247 0.000 1.070 106 M CA 1.071 56.472 55.300 0.167 0.000 1.137 106 M CB -0.273 32.425 32.600 0.162 0.000 1.378 106 M HN 0.475 nan 8.290 nan 0.000 0.426 107 A N 0.456 123.423 122.820 0.246 0.000 1.972 107 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 107 A C 2.296 179.890 177.584 0.017 0.000 1.169 107 A CA 1.875 53.941 52.037 0.049 0.000 0.635 107 A CB -0.743 18.184 19.000 -0.123 0.000 0.810 107 A HN 0.498 nan 8.150 nan 0.000 0.446 108 A N -0.146 122.697 122.820 0.038 0.000 1.873 108 A HA -0.129 4.190 4.320 -0.001 0.000 0.215 108 A C 1.912 179.517 177.584 0.035 0.000 1.186 108 A CA 1.464 53.514 52.037 0.022 0.000 0.616 108 A CB -0.536 18.477 19.000 0.022 0.000 0.823 108 A HN 0.601 nan 8.150 nan 0.000 0.442 109 E N -0.169 120.066 120.200 0.058 0.000 2.070 109 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 109 E C 1.987 178.622 176.600 0.059 0.000 1.004 109 E CA 1.528 57.962 56.400 0.057 0.000 0.805 109 E CB -0.411 29.331 29.700 0.069 0.000 0.744 109 E HN 0.381 nan 8.360 nan 0.000 0.451 110 V N 1.456 121.422 119.914 0.086 0.000 2.380 110 V HA -0.325 3.794 4.120 -0.001 0.000 0.251 110 V C 2.321 178.437 176.094 0.038 0.000 1.063 110 V CA 1.958 64.307 62.300 0.082 0.000 1.055 110 V CB -0.816 31.080 31.823 0.122 0.000 0.657 110 V HN 0.339 nan 8.190 nan 0.000 0.455 111 A N 0.015 122.846 122.820 0.018 0.000 1.873 111 A HA -0.024 4.295 4.320 -0.001 0.000 0.215 111 A C 2.398 179.986 177.584 0.007 0.000 1.186 111 A CA 1.792 53.830 52.037 0.000 0.000 0.616 111 A CB -0.843 18.149 19.000 -0.013 0.000 0.823 111 A HN 0.588 nan 8.150 nan 0.000 0.442 112 A N -0.690 122.138 122.820 0.012 0.000 2.125 112 A HA -0.045 4.275 4.320 -0.001 0.000 0.219 112 A C 2.286 179.878 177.584 0.014 0.000 1.156 112 A CA 1.850 53.894 52.037 0.012 0.000 0.671 112 A CB -0.703 18.306 19.000 0.015 0.000 0.794 112 A HN 0.599 nan 8.150 nan 0.000 0.459 113 S N -1.577 114.135 115.700 0.020 0.000 2.561 113 S HA 0.279 4.749 4.470 -0.001 0.000 0.225 113 S C 1.386 175.994 174.600 0.014 0.000 0.977 113 S CA 1.426 59.639 58.200 0.021 0.000 0.926 113 S CB -0.363 62.857 63.200 0.033 0.000 0.769 113 S HN 1.769 nan 8.310 nan 0.000 0.533 114 G N -0.186 108.619 108.800 0.009 0.000 2.179 114 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 114 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 114 G C -0.002 174.900 174.900 0.002 0.000 0.990 114 G CA -0.013 45.090 45.100 0.004 0.000 0.646 114 G HN 0.581 nan 8.290 nan 0.000 0.517 115 V N 0.656 120.574 119.914 0.007 0.000 2.530 115 V HA 0.531 4.651 4.120 -0.001 0.000 0.282 115 V C 1.366 177.455 176.094 -0.008 0.000 1.048 115 V CA 0.459 62.761 62.300 0.004 0.000 0.997 115 V CB 1.347 33.179 31.823 0.016 0.000 0.987 115 V HN 0.393 nan 8.190 nan 0.000 0.477 116 R N 1.472 121.965 120.500 -0.012 0.000 2.507 116 R HA 0.245 4.585 4.340 -0.001 0.000 0.230 116 R C -0.140 176.146 176.300 -0.024 0.000 0.897 116 R CA 0.136 56.224 56.100 -0.019 0.000 1.006 116 R CB 1.076 31.366 30.300 -0.016 0.000 1.341 116 R HN 0.712 nan 8.270 nan 0.000 0.604 117 T N 0.505 115.048 114.554 -0.018 0.000 2.952 117 T HA 0.295 4.645 4.350 -0.001 0.000 0.305 117 T C -0.923 173.771 174.700 -0.010 0.000 1.064 117 T CA -0.437 61.651 62.100 -0.019 0.000 1.008 117 T CB 2.951 71.810 68.868 -0.015 0.000 1.078 117 T HN -0.257 nan 8.240 nan 0.000 0.459 118 V N 3.995 123.900 119.914 -0.015 0.000 2.220 118 V HA 0.256 4.376 4.120 -0.001 0.000 0.265 118 V C 1.497 177.590 176.094 -0.003 0.000 1.078 118 V CA -0.549 61.750 62.300 -0.001 0.000 0.872 118 V CB 0.491 32.308 31.823 -0.009 0.000 1.121 118 V HN 0.672 nan 8.190 nan 0.000 0.460 119 R N 2.641 123.145 120.500 0.006 0.000 2.139 119 R HA -0.086 4.253 4.340 -0.001 0.000 0.243 119 R C 1.445 177.754 176.300 0.014 0.000 1.145 119 R CA 1.562 57.666 56.100 0.007 0.000 0.976 119 R CB -0.301 30.007 30.300 0.012 0.000 0.866 119 R HN 0.759 nan 8.270 nan 0.000 0.449 120 G N -1.177 107.642 108.800 0.031 0.000 2.531 120 G HA2 0.141 4.100 3.960 -0.001 0.000 0.253 120 G HA3 0.141 4.100 3.960 -0.001 0.000 0.253 120 G C -0.757 174.135 174.900 -0.014 0.000 1.439 120 G CA -0.540 44.586 45.100 0.043 0.000 1.056 120 G HN 0.175 nan 8.290 nan 0.000 0.555 121 D N -0.549 119.823 120.400 -0.048 0.000 2.294 121 D HA 0.306 4.946 4.640 -0.001 0.000 0.250 121 D C -0.795 175.299 176.300 -0.344 0.000 1.058 121 D CA -0.321 53.521 54.000 -0.263 0.000 0.950 121 D CB 2.538 43.039 40.800 -0.498 0.000 1.158 121 D HN 0.073 nan 8.370 nan 0.000 0.453 122 L N 2.135 123.126 121.223 -0.387 0.000 2.262 122 L HA 0.270 4.609 4.340 -0.001 0.000 0.288 122 L C -1.554 175.086 176.870 -0.384 0.000 1.035 122 L CA -0.403 54.287 54.840 -0.250 0.000 0.820 122 L CB 0.127 42.133 42.059 -0.088 0.000 1.204 122 L HN 0.226 nan 8.230 nan 0.000 0.424 123 Y N 3.513 123.636 120.300 -0.295 0.000 2.387 123 Y HA 0.720 5.269 4.550 -0.001 0.000 0.336 123 Y C 0.428 176.269 175.900 -0.099 0.000 1.067 123 Y CA -0.755 57.184 58.100 -0.269 0.000 1.114 123 Y CB 1.775 39.890 38.460 -0.575 0.000 1.208 123 Y HN 0.687 nan 8.280 nan 0.000 0.458 124 A N 2.387 125.302 122.820 0.158 0.000 2.249 124 A HA 0.357 4.676 4.320 -0.001 0.000 0.314 124 A C -1.052 176.619 177.584 0.145 0.000 1.290 124 A CA -0.564 51.540 52.037 0.112 0.000 0.893 124 A CB 0.133 19.177 19.000 0.073 0.000 1.165 124 A HN 0.661 nan 8.150 nan 0.000 0.530 125 D N 2.657 123.136 120.400 0.132 0.000 2.373 125 D HA 0.273 4.912 4.640 -0.001 0.000 0.227 125 D C -0.457 175.862 176.300 0.031 0.000 1.091 125 D CA -0.278 53.784 54.000 0.103 0.000 0.840 125 D CB 1.197 42.060 40.800 0.105 0.000 1.060 125 D HN 0.537 nan 8.370 nan 0.000 0.502 126 D N 1.301 121.721 120.400 0.033 0.000 2.535 126 D HA -0.066 4.574 4.640 -0.001 0.000 0.229 126 D C 1.086 177.410 176.300 0.041 0.000 1.238 126 D CA -0.108 53.894 54.000 0.003 0.000 0.824 126 D CB -0.412 40.391 40.800 0.005 0.000 1.045 126 D HN 0.333 nan 8.370 nan 0.000 0.500 127 T N -3.543 111.045 114.554 0.058 0.000 3.139 127 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 127 T C 1.301 176.074 174.700 0.122 0.000 1.164 127 T CA 0.014 62.153 62.100 0.066 0.000 1.075 127 T CB -0.971 67.914 68.868 0.029 0.000 0.904 127 T HN 0.419 nan 8.240 nan 0.000 0.540 128 W N 0.806 122.056 121.300 -0.083 0.000 2.465 128 W HA 0.146 4.806 4.660 -0.000 0.000 0.268 128 W C -0.794 175.828 176.519 0.173 0.000 1.242 128 W CA 0.014 57.324 57.345 -0.059 0.000 1.248 128 W CB 0.090 29.413 29.460 -0.227 0.000 1.118 128 W HN 0.136 nan 8.180 nan 0.000 0.587 129 F N 1.148 121.071 119.950 -0.046 0.000 2.598 129 F HA 0.199 4.726 4.527 -0.000 0.000 0.327 129 F C 0.589 176.295 175.800 -0.157 0.000 1.057 129 F CA -2.123 55.767 58.000 -0.184 0.000 0.957 129 F CB 0.151 39.068 39.000 -0.138 0.000 1.278 129 F HN -0.226 nan 8.300 nan 0.000 0.484 130 D N -1.001 119.383 120.400 -0.027 0.000 2.380 130 D HA 0.160 4.800 4.640 -0.001 0.000 0.254 130 D C 0.620 176.908 176.300 -0.020 0.000 1.288 130 D CA -0.065 53.902 54.000 -0.056 0.000 1.008 130 D CB 0.105 40.834 40.800 -0.119 0.000 1.099 130 D HN 0.315 nan 8.370 nan 0.000 0.537 131 S N -2.813 112.879 115.700 -0.012 0.000 2.572 131 S HA 0.033 4.502 4.470 -0.001 0.000 0.228 131 S C 0.471 175.083 174.600 0.020 0.000 0.963 131 S CA -0.584 57.626 58.200 0.018 0.000 0.939 131 S CB -0.558 62.661 63.200 0.033 0.000 0.804 131 S HN 0.545 nan 8.310 nan 0.000 0.480 132 E N 2.155 122.347 120.200 -0.014 0.000 2.059 132 E HA 0.088 4.438 4.350 -0.001 0.000 0.262 132 E C 0.691 177.349 176.600 0.096 0.000 1.230 132 E CA -0.356 56.084 56.400 0.066 0.000 0.951 132 E CB 0.268 30.038 29.700 0.116 0.000 1.038 132 E HN 0.226 nan 8.360 nan 0.000 0.425 133 R N 2.656 123.247 120.500 0.151 0.000 2.090 133 R HA 0.078 4.417 4.340 -0.001 0.000 0.228 133 R C 0.553 177.054 176.300 0.334 0.000 1.110 133 R CA 0.837 57.057 56.100 0.201 0.000 0.973 133 R CB -0.263 30.136 30.300 0.164 0.000 0.869 133 R HN 0.423 nan 8.270 nan 0.000 0.440 134 L N -0.001 121.372 121.223 0.250 0.000 2.370 134 L HA 0.383 4.723 4.340 -0.001 0.000 0.266 134 L C -0.269 176.316 176.870 -0.476 0.000 1.002 134 L CA -1.108 53.747 54.840 0.025 0.000 0.818 134 L CB 2.565 44.747 42.059 0.206 0.000 1.325 134 L HN -0.327 nan 8.230 nan 0.000 0.418 135 V N 1.705 120.685 119.914 -1.556 0.000 2.740 135 V HA -0.076 4.044 4.120 -0.001 0.000 0.303 135 V C 0.879 176.505 176.094 -0.780 0.000 1.054 135 V CA 0.148 61.459 62.300 -1.649 0.000 1.106 135 V CB 0.875 31.275 31.823 -2.372 0.000 0.957 135 V HN 1.011 nan 8.190 nan 0.000 0.486 136 D N 4.085 124.189 120.400 -0.492 0.000 2.157 136 D HA -0.263 4.376 4.640 -0.001 0.000 0.191 136 D C 1.030 177.260 176.300 -0.116 0.000 1.004 136 D CA 1.976 55.846 54.000 -0.217 0.000 0.854 136 D CB -0.389 40.314 40.800 -0.161 0.000 0.936 136 D HN 0.804 nan 8.370 nan 0.000 0.446 137 D N -1.762 118.558 120.400 -0.134 0.000 2.491 137 D HA -0.005 4.634 4.640 -0.001 0.000 0.228 137 D C -0.517 175.895 176.300 0.187 0.000 1.183 137 D CA -0.828 53.197 54.000 0.042 0.000 0.827 137 D CB -0.866 39.951 40.800 0.029 0.000 0.989 137 D HN 0.164 nan 8.370 nan 0.000 0.494 138 W N 0.988 122.259 121.300 -0.048 0.000 2.272 138 W HA 0.268 4.927 4.660 -0.002 0.000 0.318 138 W C 0.325 176.924 176.519 0.135 0.000 1.255 138 W CA -1.422 55.887 57.345 -0.060 0.000 1.200 138 W CB 0.227 29.661 29.460 -0.043 0.000 1.170 138 W HN -0.016 nan 8.180 nan 0.000 0.549 139 W N 5.516 126.945 121.300 0.216 0.000 2.303 139 W HA 0.104 4.763 4.660 -0.003 0.000 0.318 139 W C -0.963 175.640 176.519 0.139 0.000 1.362 139 W CA -2.406 55.023 57.345 0.140 0.000 1.234 139 W CB -0.550 28.969 29.460 0.099 0.000 1.248 139 W HN 0.246 nan 8.180 nan 0.000 0.546 140 P HA -0.219 nan 4.420 nan 0.000 0.223 140 P C 0.972 178.384 177.300 0.186 0.000 1.144 140 P CA 1.775 65.003 63.100 0.214 0.000 0.783 140 P CB 0.219 32.008 31.700 0.149 0.000 0.771 141 E N -0.012 120.322 120.200 0.223 0.000 2.347 141 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 141 E C 0.910 177.689 176.600 0.298 0.000 1.008 141 E CA 0.726 57.251 56.400 0.209 0.000 0.852 141 E CB -0.777 29.024 29.700 0.169 0.000 0.783 141 E HN 0.317 nan 8.360 nan 0.000 0.505 142 D N 1.331 121.924 120.400 0.321 0.000 2.349 142 D HA -0.001 4.638 4.640 -0.001 0.000 0.215 142 D C 1.387 177.748 176.300 0.101 0.000 1.016 142 D CA 0.117 54.316 54.000 0.332 0.000 0.870 142 D CB 0.162 41.162 40.800 0.334 0.000 0.917 142 D HN 0.340 nan 8.370 nan 0.000 0.524 143 E N 0.551 120.785 120.200 0.056 0.000 2.171 143 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 143 E C -0.858 175.614 176.600 -0.213 0.000 0.997 143 E CA 0.858 57.231 56.400 -0.044 0.000 0.810 143 E CB -0.487 29.231 29.700 0.030 0.000 0.738 143 E HN 0.290 nan 8.360 nan 0.000 0.467 144 P HA -0.078 nan 4.420 nan 0.000 0.237 144 P C -0.693 176.063 177.300 -0.907 0.000 1.178 144 P CA 0.938 63.626 63.100 -0.688 0.000 0.766 144 P CB 0.048 31.230 31.700 -0.863 0.000 0.876 145 Y N -1.890 118.249 120.300 -0.270 0.000 2.420 145 Y HA 0.546 5.095 4.550 -0.002 0.000 0.334 145 Y C 1.857 177.485 175.900 -0.452 0.000 1.094 145 Y CA -1.111 56.769 58.100 -0.366 0.000 1.126 145 Y CB 0.393 38.580 38.460 -0.454 0.000 1.217 145 Y HN -0.254 nan 8.280 nan 0.000 0.462 146 A N 2.136 124.885 122.820 -0.118 0.000 1.940 146 A HA -0.322 3.998 4.320 -0.001 0.000 0.221 146 A C 1.778 179.310 177.584 -0.086 0.000 1.190 146 A CA 2.561 54.553 52.037 -0.075 0.000 0.647 146 A CB -1.520 17.484 19.000 0.006 0.000 0.821 146 A HN 0.973 nan 8.150 nan 0.000 0.457 147 Y N -1.718 118.581 120.300 -0.001 0.000 2.574 147 Y HA 0.183 4.732 4.550 -0.002 0.000 0.294 147 Y C 1.887 177.675 175.900 -0.187 0.000 1.142 147 Y CA 0.991 59.044 58.100 -0.078 0.000 1.314 147 Y CB -0.660 37.737 38.460 -0.106 0.000 0.991 147 Y HN 0.190 nan 8.280 nan 0.000 0.555 148 S N 0.255 115.651 115.700 -0.507 0.000 2.663 148 S HA 0.589 5.059 4.470 -0.001 0.000 0.243 148 S C 0.686 175.223 174.600 -0.105 0.000 1.009 148 S CA -0.222 57.730 58.200 -0.413 0.000 0.988 148 S CB -0.981 61.951 63.200 -0.448 0.000 0.896 148 S HN 0.610 nan 8.310 nan 0.000 0.502 149 A N 1.492 124.288 122.820 -0.040 0.000 2.531 149 A HA 0.261 4.581 4.320 -0.001 0.000 0.236 149 A C 0.398 178.107 177.584 0.209 0.000 1.062 149 A CA 0.165 52.241 52.037 0.065 0.000 0.760 149 A CB 0.036 19.074 19.000 0.063 0.000 0.995 149 A HN 0.700 nan 8.150 nan 0.000 0.501 150 Q N 0.324 120.239 119.800 0.192 0.000 2.361 150 Q HA 0.159 4.499 4.340 -0.001 0.000 0.276 150 Q C -0.334 175.812 176.000 0.242 0.000 1.022 150 Q CA 0.104 56.051 55.803 0.240 0.000 0.898 150 Q CB 0.455 29.295 28.738 0.169 0.000 1.246 150 Q HN 0.556 nan 8.270 nan 0.000 0.410 151 I N 1.459 122.194 120.570 0.275 0.000 2.353 151 I HA 0.297 4.466 4.170 -0.001 0.000 0.293 151 I C 0.180 176.398 176.117 0.169 0.000 0.992 151 I CA 0.239 61.678 61.300 0.232 0.000 1.268 151 I CB 1.025 39.162 38.000 0.229 0.000 1.387 151 I HN 0.481 nan 8.210 nan 0.000 0.478 152 S N 3.293 119.107 115.700 0.189 0.000 2.570 152 S HA 0.698 5.168 4.470 -0.001 0.000 0.270 152 S C 0.543 175.194 174.600 0.085 0.000 1.149 152 S CA 0.101 58.392 58.200 0.152 0.000 0.837 152 S CB 1.788 65.038 63.200 0.084 0.000 1.124 152 S HN 0.676 nan 8.310 nan 0.000 0.465 153 A N 2.366 125.118 122.820 -0.112 0.000 1.929 153 A HA 0.314 4.634 4.320 -0.001 0.000 0.216 153 A C 0.764 178.194 177.584 -0.257 0.000 1.176 153 A CA 0.658 52.388 52.037 -0.513 0.000 0.628 153 A CB -0.321 18.336 19.000 -0.571 0.000 0.816 153 A HN 0.687 nan 8.150 nan 0.000 0.444 154 L N 0.962 122.109 121.223 -0.128 0.000 2.262 154 L HA 0.480 4.819 4.340 -0.001 0.000 0.288 154 L C -0.695 176.148 176.870 -0.044 0.000 1.035 154 L CA -0.025 54.761 54.840 -0.091 0.000 0.820 154 L CB 1.287 43.306 42.059 -0.067 0.000 1.204 154 L HN 0.254 nan 8.230 nan 0.000 0.424 155 T N 3.214 117.746 114.554 -0.036 0.000 2.982 155 T HA 0.453 4.803 4.350 -0.001 0.000 0.321 155 T C -0.986 173.723 174.700 0.014 0.000 1.229 155 T CA -0.349 61.752 62.100 0.002 0.000 1.044 155 T CB 1.577 70.468 68.868 0.038 0.000 1.184 155 T HN 0.147 nan 8.240 nan 0.000 0.477 156 V N 3.463 123.394 119.914 0.029 0.000 2.509 156 V HA 0.788 4.908 4.120 -0.001 0.000 0.284 156 V C 0.737 176.899 176.094 0.113 0.000 1.047 156 V CA -0.752 61.582 62.300 0.056 0.000 0.952 156 V CB 1.152 33.003 31.823 0.047 0.000 0.988 156 V HN 1.101 nan 8.190 nan 0.000 0.469 157 A N 2.813 125.733 122.820 0.165 0.000 2.292 157 A HA 0.631 4.951 4.320 -0.001 0.000 0.319 157 A C -0.536 177.195 177.584 0.244 0.000 1.206 157 A CA -0.461 51.734 52.037 0.264 0.000 0.835 157 A CB 0.264 19.519 19.000 0.425 0.000 1.164 157 A HN 1.034 nan 8.150 nan 0.000 0.505 158 H N 1.550 120.691 119.070 0.119 0.000 2.481 158 H HA 0.534 5.089 4.556 -0.001 0.000 0.339 158 H C 0.933 176.254 175.328 -0.011 0.000 1.131 158 H CA 1.125 57.203 56.048 0.049 0.000 1.301 158 H CB 1.030 30.805 29.762 0.022 0.000 1.476 158 H HN 1.528 nan 8.280 nan 0.000 0.529 159 G N 2.983 111.368 108.800 -0.693 0.000 2.801 159 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.244 159 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.244 159 G C 0.624 175.257 174.900 -0.446 0.000 1.385 159 G CA 0.406 45.222 45.100 -0.473 0.000 0.894 159 G HN 0.903 nan 8.290 nan 0.000 0.562 160 E N -0.535 119.439 120.200 -0.375 0.000 2.482 160 E HA 0.099 4.448 4.350 -0.001 0.000 0.196 160 E C 2.062 178.397 176.600 -0.441 0.000 1.047 160 E CA 0.757 56.873 56.400 -0.472 0.000 0.869 160 E CB 0.109 29.728 29.700 -0.135 0.000 0.836 160 E HN 0.536 nan 8.360 nan 0.000 0.520 161 R N 0.123 120.437 120.500 -0.309 0.000 2.312 161 R HA 0.167 4.507 4.340 -0.001 0.000 0.205 161 R C -0.544 175.803 176.300 0.077 0.000 0.904 161 R CA -0.168 55.886 56.100 -0.076 0.000 1.052 161 R CB -0.097 30.011 30.300 -0.319 0.000 1.014 161 R HN 0.087 nan 8.270 nan 0.000 0.503 162 F N 1.912 121.992 119.950 0.215 0.000 2.688 162 F HA -0.225 4.302 4.527 -0.001 0.000 0.276 162 F C -0.748 175.160 175.800 0.179 0.000 1.034 162 F CA 0.206 58.350 58.000 0.241 0.000 0.991 162 F CB -1.273 37.962 39.000 0.391 0.000 1.119 162 F HN 0.058 nan 8.300 nan 0.000 0.837 163 D N 1.392 121.930 120.400 0.229 0.000 2.313 163 D HA 0.273 4.912 4.640 -0.001 0.000 0.239 163 D C 0.764 177.176 176.300 0.187 0.000 1.142 163 D CA 0.068 54.159 54.000 0.151 0.000 0.847 163 D CB 1.347 42.206 40.800 0.098 0.000 1.082 163 D HN 0.369 nan 8.370 nan 0.000 0.480 164 T N -2.004 112.654 114.554 0.174 0.000 2.847 164 T HA 0.456 4.805 4.350 -0.001 0.000 0.279 164 T C 1.382 176.146 174.700 0.106 0.000 0.984 164 T CA -0.198 61.998 62.100 0.161 0.000 0.988 164 T CB 1.429 70.409 68.868 0.185 0.000 1.040 164 T HN 0.511 nan 8.240 nan 0.000 0.528 165 G N -0.207 108.645 108.800 0.086 0.000 2.280 165 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.282 165 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.282 165 G C 0.220 175.135 174.900 0.026 0.000 1.000 165 G CA 0.656 45.790 45.100 0.056 0.000 0.751 165 G HN 1.758 nan 8.290 nan 0.000 0.515 166 V N -4.080 115.847 119.914 0.022 0.000 3.046 166 V HA 0.985 5.105 4.120 -0.001 0.000 0.316 166 V C 0.032 176.106 176.094 -0.034 0.000 1.104 166 V CA -0.127 62.160 62.300 -0.021 0.000 1.006 166 V CB 2.075 33.871 31.823 -0.045 0.000 1.058 166 V HN 0.618 nan 8.190 nan 0.000 0.440 167 T N 0.604 115.116 114.554 -0.070 0.000 2.916 167 T HA 0.482 4.832 4.350 -0.001 0.000 0.292 167 T C -0.978 173.634 174.700 -0.146 0.000 1.055 167 T CA -0.413 61.646 62.100 -0.070 0.000 1.009 167 T CB 1.818 70.669 68.868 -0.027 0.000 1.118 167 T HN 1.098 nan 8.240 nan 0.000 0.497 168 E N 2.456 122.562 120.200 -0.157 0.000 2.115 168 E HA 0.539 4.888 4.350 -0.001 0.000 0.282 168 E C -1.108 175.449 176.600 -0.071 0.000 0.987 168 E CA -0.623 55.669 56.400 -0.180 0.000 0.797 168 E CB 0.818 30.400 29.700 -0.197 0.000 1.086 168 E HN 0.374 nan 8.360 nan 0.000 0.397 169 V N 3.951 123.828 119.914 -0.063 0.000 2.427 169 V HA 0.322 4.441 4.120 -0.001 0.000 0.286 169 V C -0.189 175.893 176.094 -0.020 0.000 1.034 169 V CA -0.460 61.821 62.300 -0.032 0.000 0.893 169 V CB 1.624 33.428 31.823 -0.032 0.000 0.982 169 V HN 0.660 nan 8.190 nan 0.000 0.452 170 S N 3.323 119.018 115.700 -0.008 0.000 2.532 170 S HA 0.766 5.236 4.470 -0.001 0.000 0.301 170 S C -0.673 173.927 174.600 0.000 0.000 1.083 170 S CA -0.601 57.598 58.200 -0.001 0.000 1.025 170 S CB 2.047 65.251 63.200 0.006 0.000 1.056 170 S HN 0.446 nan 8.310 nan 0.000 0.494 171 V N 2.706 122.621 119.914 0.002 0.000 2.447 171 V HA 0.422 4.542 4.120 -0.001 0.000 0.292 171 V C -0.462 175.635 176.094 0.004 0.000 1.021 171 V CA -0.595 61.706 62.300 0.003 0.000 0.850 171 V CB 1.626 33.451 31.823 0.003 0.000 1.005 171 V HN 0.915 nan 8.190 nan 0.000 0.426 172 T N 7.322 121.878 114.554 0.004 0.000 2.794 172 T HA 0.494 4.844 4.350 -0.001 0.000 0.280 172 T C -2.653 172.049 174.700 0.004 0.000 0.987 172 T CA -1.383 60.720 62.100 0.004 0.000 0.993 172 T CB 1.943 70.814 68.868 0.005 0.000 0.939 172 T HN 0.361 nan 8.240 nan 0.000 0.449 173 P HA 0.431 nan 4.420 nan 0.000 0.271 173 P C -0.590 176.712 177.300 0.003 0.000 1.218 173 P CA -0.262 62.840 63.100 0.003 0.000 0.780 173 P CB 0.680 32.382 31.700 0.003 0.000 0.901 174 A N 2.356 125.177 122.820 0.002 0.000 3.944 174 A HA 0.818 5.137 4.320 -0.001 0.000 0.151 174 A C -0.205 177.381 177.584 0.002 0.000 1.301 174 A CA -0.173 51.865 52.037 0.002 0.000 1.020 174 A CB -0.280 18.721 19.000 0.002 0.000 1.627 174 A HN 0.506 nan 8.150 nan 0.000 0.661 175 A N -0.280 122.541 122.820 0.002 0.000 2.316 175 A HA 0.513 4.832 4.320 -0.001 0.000 0.284 175 A C 0.175 177.760 177.584 0.001 0.000 1.115 175 A CA -0.264 51.773 52.037 0.001 0.000 0.812 175 A CB -0.076 18.925 19.000 0.001 0.000 1.064 175 A HN 0.703 nan 8.150 nan 0.000 0.489 176 E N 0.472 120.673 120.200 0.001 0.000 2.694 176 E HA 0.240 4.589 4.350 -0.001 0.000 0.250 176 E C 1.260 177.861 176.600 0.001 0.000 0.963 176 E CA 1.304 57.704 56.400 0.001 0.000 0.949 176 E CB -0.085 29.616 29.700 0.001 0.000 0.911 176 E HN 1.368 nan 8.360 nan 0.000 0.500 177 G N 3.970 112.770 108.800 0.001 0.000 2.308 177 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.221 177 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.221 177 G C 0.037 174.938 174.900 0.001 0.000 1.032 177 G CA 0.146 45.246 45.100 0.001 0.000 0.623 177 G HN 0.600 nan 8.290 nan 0.000 0.506 178 E N 1.925 122.125 120.200 0.001 0.000 2.374 178 E HA 0.434 4.784 4.350 -0.001 0.000 0.260 178 E C -2.384 174.217 176.600 0.001 0.000 1.101 178 E CA -1.758 54.642 56.400 0.001 0.000 0.907 178 E CB 0.833 30.534 29.700 0.001 0.000 1.014 178 E HN 0.179 nan 8.360 nan 0.000 0.427 179 P HA -0.015 nan 4.420 nan 0.000 0.269 179 P C -1.104 176.196 177.300 0.001 0.000 1.209 179 P CA 0.124 63.224 63.100 0.000 0.000 0.776 179 P CB 0.620 32.319 31.700 -0.000 0.000 0.876 180 A N 1.970 124.790 122.820 0.001 0.000 2.386 180 A HA 0.226 4.546 4.320 -0.001 0.000 0.248 180 A C 0.034 177.618 177.584 0.001 0.000 1.082 180 A CA -0.088 51.950 52.037 0.001 0.000 0.789 180 A CB -0.288 18.713 19.000 0.002 0.000 1.025 180 A HN 0.570 nan 8.150 nan 0.000 0.490 181 D N 0.740 121.141 120.400 0.002 0.000 2.313 181 D HA 0.435 5.075 4.640 -0.001 0.000 0.239 181 D C -0.778 175.524 176.300 0.002 0.000 1.142 181 D CA -0.094 53.907 54.000 0.002 0.000 0.847 181 D CB 0.843 41.645 40.800 0.004 0.000 1.082 181 D HN 0.194 nan 8.370 nan 0.000 0.480 182 V N 3.926 123.841 119.914 0.002 0.000 2.459 182 V HA 0.392 4.512 4.120 -0.001 0.000 0.295 182 V C -0.424 175.671 176.094 0.002 0.000 1.029 182 V CA -0.779 61.521 62.300 0.001 0.000 0.874 182 V CB 1.763 33.585 31.823 -0.002 0.000 0.985 182 V HN 0.585 nan 8.190 nan 0.000 0.438 183 D N 3.257 123.659 120.400 0.003 0.000 2.375 183 D HA 0.507 5.146 4.640 -0.001 0.000 0.247 183 D C 0.463 176.765 176.300 0.004 0.000 1.061 183 D CA -0.429 53.575 54.000 0.007 0.000 0.834 183 D CB 2.230 43.037 40.800 0.012 0.000 1.247 183 D HN 0.329 nan 8.370 nan 0.000 0.489 184 L N 1.726 122.953 121.223 0.007 0.000 2.607 184 L HA 0.287 4.627 4.340 -0.001 0.000 0.228 184 L C 1.448 178.323 176.870 0.009 0.000 1.123 184 L CA 0.027 54.869 54.840 0.003 0.000 0.890 184 L CB -0.647 41.414 42.059 0.003 0.000 1.103 184 L HN 0.717 nan 8.230 nan 0.000 0.468 185 G N 0.934 109.746 108.800 0.020 0.000 2.550 185 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.277 185 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.277 185 G C 0.962 175.891 174.900 0.048 0.000 1.190 185 G CA 0.413 45.534 45.100 0.036 0.000 0.971 185 G HN 0.278 nan 8.290 nan 0.000 0.559 186 A N -0.413 122.440 122.820 0.056 0.000 1.940 186 A HA 0.271 4.590 4.320 -0.001 0.000 0.219 186 A C 2.919 180.524 177.584 0.036 0.000 1.176 186 A CA 3.460 55.535 52.037 0.064 0.000 0.631 186 A CB -0.991 18.047 19.000 0.063 0.000 0.814 186 A HN 2.368 nan 8.150 nan 0.000 0.446 187 A N -0.540 122.288 122.820 0.013 0.000 2.248 187 A HA 0.047 4.367 4.320 -0.001 0.000 0.210 187 A C 0.754 178.338 177.584 -0.001 0.000 1.174 187 A CA 0.263 52.313 52.037 0.022 0.000 0.750 187 A CB -0.328 18.715 19.000 0.072 0.000 0.780 187 A HN 0.400 nan 8.150 nan 0.000 0.478 188 E N -0.355 119.852 120.200 0.011 0.000 2.480 188 E HA 0.262 4.611 4.350 -0.001 0.000 0.258 188 E C 1.344 177.951 176.600 0.012 0.000 0.984 188 E CA 1.095 57.510 56.400 0.025 0.000 0.930 188 E CB 0.303 30.039 29.700 0.061 0.000 0.936 188 E HN 0.659 nan 8.360 nan 0.000 0.466 189 G N 3.529 112.329 108.800 0.001 0.000 2.234 189 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.260 189 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.260 189 G C 0.693 175.533 174.900 -0.100 0.000 0.987 189 G CA 0.682 45.806 45.100 0.041 0.000 0.625 189 G HN 0.602 nan 8.290 nan 0.000 0.532 190 Y N 1.036 121.085 120.300 -0.419 0.000 2.333 190 Y HA 0.702 5.252 4.550 -0.001 0.000 0.287 190 Y C 1.814 177.610 175.900 -0.174 0.000 1.149 190 Y CA 1.530 59.386 58.100 -0.407 0.000 1.193 190 Y CB -0.205 37.920 38.460 -0.559 0.000 1.175 190 Y HN 0.619 nan 8.280 nan 0.000 0.518 191 A N 1.284 124.001 122.820 -0.172 0.000 2.286 191 A HA 0.422 4.742 4.320 -0.001 0.000 0.286 191 A C -0.523 176.984 177.584 -0.128 0.000 1.097 191 A CA -0.629 51.299 52.037 -0.182 0.000 0.821 191 A CB 0.187 19.182 19.000 -0.009 0.000 1.076 191 A HN 0.401 nan 8.150 nan 0.000 0.490 192 E N -0.014 120.115 120.200 -0.118 0.000 2.277 192 E HA 0.433 4.782 4.350 -0.001 0.000 0.274 192 E C -1.131 175.438 176.600 -0.052 0.000 1.022 192 E CA -0.523 55.830 56.400 -0.080 0.000 0.853 192 E CB 1.775 31.428 29.700 -0.078 0.000 1.086 192 E HN 0.457 nan 8.360 nan 0.000 0.397 193 L N 1.726 122.926 121.223 -0.038 0.000 2.346 193 L HA 0.428 4.767 4.340 -0.001 0.000 0.276 193 L C -0.962 175.894 176.870 -0.023 0.000 1.006 193 L CA -0.410 54.413 54.840 -0.027 0.000 0.817 193 L CB 1.769 43.816 42.059 -0.020 0.000 1.272 193 L HN 0.307 nan 8.230 nan 0.000 0.421 194 D N 2.649 123.037 120.400 -0.021 0.000 2.412 194 D HA 0.213 4.852 4.640 -0.001 0.000 0.276 194 D C -0.991 175.301 176.300 -0.012 0.000 1.196 194 D CA -0.208 53.782 54.000 -0.016 0.000 0.905 194 D CB 0.275 41.065 40.800 -0.017 0.000 1.081 194 D HN 0.515 nan 8.370 nan 0.000 0.502 195 N N 2.268 120.962 118.700 -0.010 0.000 2.439 195 N HA 0.131 4.870 4.740 -0.001 0.000 0.243 195 N C 0.182 175.689 175.510 -0.005 0.000 1.088 195 N CA -0.179 52.866 53.050 -0.007 0.000 0.940 195 N CB 0.481 38.964 38.487 -0.006 0.000 1.180 195 N HN 0.198 nan 8.380 nan 0.000 0.505 196 R N 1.778 122.275 120.500 -0.004 0.000 2.432 196 R HA 0.286 4.626 4.340 -0.001 0.000 0.260 196 R C 0.027 176.327 176.300 -0.001 0.000 0.935 196 R CA -0.307 55.791 56.100 -0.003 0.000 1.080 196 R CB -0.184 30.114 30.300 -0.003 0.000 1.155 196 R HN 0.481 nan 8.270 nan 0.000 0.531 197 A N 1.205 124.025 122.820 -0.001 0.000 2.407 197 A HA 0.401 4.720 4.320 -0.001 0.000 0.248 197 A C -0.045 177.540 177.584 0.001 0.000 1.082 197 A CA -0.151 51.887 52.037 0.001 0.000 0.785 197 A CB 0.877 19.878 19.000 0.001 0.000 1.020 197 A HN 0.038 nan 8.150 nan 0.000 0.489 198 V N 1.799 121.714 119.914 0.001 0.000 2.876 198 V HA 0.551 4.671 4.120 -0.001 0.000 0.312 198 V C 0.094 176.189 176.094 0.002 0.000 1.085 198 V CA -0.434 61.866 62.300 0.001 0.000 0.945 198 V CB 2.434 34.257 31.823 0.001 0.000 1.017 198 V HN 0.966 nan 8.190 nan 0.000 0.428 199 T N 5.434 119.989 114.554 0.002 0.000 2.769 199 T HA 0.456 4.806 4.350 -0.001 0.000 0.293 199 T C 0.445 175.146 174.700 0.002 0.000 0.931 199 T CA 0.631 62.732 62.100 0.002 0.000 1.139 199 T CB 0.623 69.492 68.868 0.002 0.000 0.881 199 T HN 1.072 nan 8.240 nan 0.000 0.532 200 G N 1.773 110.574 108.800 0.002 0.000 2.557 200 G HA2 0.598 4.558 3.960 -0.001 0.000 0.292 200 G HA3 0.598 4.558 3.960 -0.001 0.000 0.292 200 G C 0.135 175.036 174.900 0.002 0.000 1.237 200 G CA -0.769 44.332 45.100 0.002 0.000 0.978 200 G HN 0.962 nan 8.290 nan 0.000 0.498 201 A N -0.682 122.139 122.820 0.001 0.000 2.429 201 A HA 0.576 4.895 4.320 -0.001 0.000 0.242 201 A C 0.993 178.577 177.584 0.001 0.000 1.088 201 A CA 0.441 52.478 52.037 0.001 0.000 0.784 201 A CB -0.157 18.844 19.000 0.001 0.000 1.038 201 A HN 1.846 nan 8.150 nan 0.000 0.501 202 A N -0.194 122.627 122.820 0.001 0.000 2.450 202 A HA 0.515 4.835 4.320 -0.001 0.000 0.255 202 A C 1.457 179.042 177.584 0.001 0.000 1.096 202 A CA 0.629 52.667 52.037 0.002 0.000 0.778 202 A CB -0.738 18.262 19.000 0.001 0.000 1.031 202 A HN 2.728 nan 8.150 nan 0.000 0.494 203 G N 1.559 110.360 108.800 0.001 0.000 2.175 203 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.244 203 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.244 203 G C 0.595 175.496 174.900 0.001 0.000 0.982 203 G CA 0.722 45.823 45.100 0.001 0.000 0.641 203 G HN 2.047 nan 8.290 nan 0.000 0.527 204 S N 0.090 115.791 115.700 0.001 0.000 2.614 204 S HA 0.775 5.245 4.470 -0.001 0.000 0.265 204 S C 0.738 175.339 174.600 0.002 0.000 1.303 204 S CA 0.440 58.641 58.200 0.002 0.000 1.000 204 S CB 1.810 65.011 63.200 0.002 0.000 0.935 204 S HN 1.913 nan 8.310 nan 0.000 0.551 205 A N 1.379 124.200 122.820 0.002 0.000 2.477 205 A HA 0.325 4.645 4.320 -0.001 0.000 0.246 205 A C 0.341 177.927 177.584 0.003 0.000 1.078 205 A CA -0.443 51.595 52.037 0.002 0.000 0.770 205 A CB -0.672 18.330 19.000 0.002 0.000 1.011 205 A HN 0.875 nan 8.150 nan 0.000 0.494 206 N N 1.313 120.015 118.700 0.003 0.000 2.415 206 N HA 0.246 4.985 4.740 -0.001 0.000 0.246 206 N C 0.614 176.127 175.510 0.005 0.000 1.078 206 N CA 0.523 53.575 53.050 0.004 0.000 0.942 206 N CB 0.544 39.034 38.487 0.004 0.000 1.140 206 N HN 0.557 nan 8.380 nan 0.000 0.501 207 T N 1.065 115.622 114.554 0.006 0.000 3.182 207 T HA 0.190 4.540 4.350 -0.001 0.000 0.277 207 T C 0.428 175.134 174.700 0.010 0.000 1.013 207 T CA -0.541 61.564 62.100 0.007 0.000 0.900 207 T CB -0.365 68.506 68.868 0.006 0.000 1.098 207 T HN 0.288 nan 8.240 nan 0.000 0.543 208 L N 2.245 123.474 121.223 0.010 0.000 2.483 208 L HA 0.515 4.854 4.340 -0.001 0.000 0.276 208 L C -0.649 176.232 176.870 0.018 0.000 1.213 208 L CA 0.297 55.145 54.840 0.012 0.000 0.843 208 L CB 0.803 42.868 42.059 0.010 0.000 1.107 208 L HN 0.165 nan 8.230 nan 0.000 0.487 209 V N 5.981 125.907 119.914 0.020 0.000 2.711 209 V HA 0.408 4.527 4.120 -0.001 0.000 0.304 209 V C -0.444 175.665 176.094 0.025 0.000 1.097 209 V CA -0.485 61.833 62.300 0.030 0.000 0.906 209 V CB 1.812 33.654 31.823 0.032 0.000 1.015 209 V HN 0.575 nan 8.190 nan 0.000 0.427 210 I N 4.184 124.774 120.570 0.033 0.000 2.378 210 I HA 0.675 4.844 4.170 -0.001 0.000 0.291 210 I C -0.674 175.448 176.117 0.007 0.000 0.992 210 I CA -0.095 61.213 61.300 0.014 0.000 1.154 210 I CB 1.882 39.887 38.000 0.009 0.000 1.315 210 I HN 0.810 nan 8.210 nan 0.000 0.448 211 D N 4.661 125.046 120.400 -0.026 0.000 2.609 211 D HA 0.353 4.993 4.640 -0.001 0.000 0.239 211 D C -1.052 175.198 176.300 -0.083 0.000 1.229 211 D CA -0.808 53.154 54.000 -0.063 0.000 0.808 211 D CB 1.817 42.607 40.800 -0.016 0.000 1.448 211 D HN 0.431 nan 8.370 nan 0.000 0.433 212 R N 2.525 122.949 120.500 -0.126 0.000 2.310 212 R HA 0.479 4.818 4.340 -0.001 0.000 0.316 212 R C -2.538 173.717 176.300 -0.074 0.000 1.004 212 R CA -1.902 54.139 56.100 -0.098 0.000 0.900 212 R CB 1.224 31.452 30.300 -0.120 0.000 1.152 212 R HN 0.261 nan 8.270 nan 0.000 0.513 213 P HA -0.150 nan 4.420 nan 0.000 0.261 213 P C -0.171 177.118 177.300 -0.018 0.000 1.183 213 P CA 0.039 63.124 63.100 -0.024 0.000 0.761 213 P CB 0.694 32.384 31.700 -0.017 0.000 0.785 214 V N 4.684 124.594 119.914 -0.006 0.000 2.752 214 V HA 0.089 4.209 4.120 -0.001 0.000 0.306 214 V C 1.517 177.617 176.094 0.010 0.000 1.099 214 V CA 2.102 64.407 62.300 0.009 0.000 1.240 214 V CB -0.587 31.251 31.823 0.026 0.000 0.887 214 V HN 1.009 nan 8.190 nan 0.000 0.499 215 G N 3.563 112.373 108.800 0.017 0.000 2.184 215 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.264 215 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.264 215 G C 0.356 175.260 174.900 0.006 0.000 0.975 215 G CA 1.001 46.111 45.100 0.017 0.000 0.642 215 G HN 1.913 nan 8.290 nan 0.000 0.536 216 T N -2.997 111.555 114.554 -0.003 0.000 2.907 216 T HA 0.641 4.991 4.350 -0.001 0.000 0.290 216 T C -0.050 174.638 174.700 -0.021 0.000 1.066 216 T CA -0.055 62.036 62.100 -0.016 0.000 1.012 216 T CB 2.076 70.931 68.868 -0.022 0.000 1.184 216 T HN 0.235 nan 8.240 nan 0.000 0.522 217 N N 0.318 118.994 118.700 -0.040 0.000 2.538 217 N HA 0.304 5.043 4.740 -0.001 0.000 0.291 217 N C -0.962 174.508 175.510 -0.067 0.000 1.323 217 N CA -0.302 52.718 53.050 -0.049 0.000 0.934 217 N CB 0.312 38.739 38.487 -0.099 0.000 1.255 217 N HN 0.674 nan 8.380 nan 0.000 0.509 218 T N 0.756 115.280 114.554 -0.050 0.000 2.823 218 T HA 0.409 4.758 4.350 -0.001 0.000 0.279 218 T C -0.249 174.426 174.700 -0.042 0.000 0.998 218 T CA -0.484 61.587 62.100 -0.049 0.000 0.994 218 T CB 1.151 69.993 68.868 -0.042 0.000 0.960 218 T HN -0.023 nan 8.240 nan 0.000 0.448 219 I N 3.267 123.814 120.570 -0.039 0.000 2.306 219 I HA 0.439 4.608 4.170 -0.001 0.000 0.288 219 I C 0.460 176.558 176.117 -0.031 0.000 1.036 219 I CA -0.833 60.444 61.300 -0.038 0.000 1.221 219 I CB 0.359 38.340 38.000 -0.032 0.000 1.385 219 I HN 0.669 nan 8.210 nan 0.000 0.472 220 A N 7.388 130.189 122.820 -0.030 0.000 2.276 220 A HA 0.705 5.024 4.320 -0.001 0.000 0.316 220 A C -0.409 177.166 177.584 -0.014 0.000 1.229 220 A CA -0.432 51.592 52.037 -0.020 0.000 0.851 220 A CB 0.845 19.834 19.000 -0.018 0.000 1.165 220 A HN 0.419 nan 8.150 nan 0.000 0.513 221 V N 3.032 122.940 119.914 -0.010 0.000 2.448 221 V HA 0.726 4.845 4.120 -0.001 0.000 0.295 221 V C 0.324 176.418 176.094 -0.001 0.000 1.025 221 V CA -0.094 62.204 62.300 -0.004 0.000 0.859 221 V CB 1.371 33.191 31.823 -0.004 0.000 0.988 221 V HN 1.138 nan 8.190 nan 0.000 0.431 222 T N 0.577 115.133 114.554 0.003 0.000 2.804 222 T HA 0.967 5.316 4.350 -0.001 0.000 0.290 222 T C 0.120 174.823 174.700 0.006 0.000 1.099 222 T CA -0.219 61.883 62.100 0.004 0.000 1.011 222 T CB 1.769 70.640 68.868 0.004 0.000 1.291 222 T HN 1.957 nan 8.240 nan 0.000 0.523 223 G N 0.091 108.894 108.800 0.005 0.000 2.610 223 G HA2 0.279 4.238 3.960 -0.001 0.000 0.304 223 G HA3 0.279 4.238 3.960 -0.001 0.000 0.304 223 G C -0.446 174.457 174.900 0.005 0.000 1.309 223 G CA -0.190 44.914 45.100 0.006 0.000 0.906 223 G HN 1.610 nan 8.290 nan 0.000 0.521 224 S N -1.221 114.482 115.700 0.005 0.000 2.557 224 S HA 0.661 5.131 4.470 -0.001 0.000 0.291 224 S C -0.971 173.632 174.600 0.004 0.000 1.116 224 S CA -0.394 57.809 58.200 0.004 0.000 0.992 224 S CB 1.393 64.595 63.200 0.003 0.000 1.028 224 S HN 1.708 nan 8.310 nan 0.000 0.484 225 L N 7.097 128.322 121.223 0.004 0.000 2.298 225 L HA 0.664 5.003 4.340 -0.001 0.000 0.284 225 L C -2.319 174.552 176.870 0.003 0.000 1.013 225 L CA -1.874 52.969 54.840 0.004 0.000 0.824 225 L CB 1.498 43.559 42.059 0.004 0.000 1.221 225 L HN 0.436 nan 8.230 nan 0.000 0.418 226 P HA 0.004 nan 4.420 nan 0.000 0.267 226 P C 0.064 177.365 177.300 0.003 0.000 1.200 226 P CA 0.101 63.203 63.100 0.003 0.000 0.772 226 P CB 0.878 32.580 31.700 0.002 0.000 0.855 227 A N 3.664 126.486 122.820 0.002 0.000 1.902 227 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 227 A C 1.580 179.165 177.584 0.002 0.000 1.181 227 A CA 1.978 54.016 52.037 0.002 0.000 0.623 227 A CB -1.188 17.814 19.000 0.002 0.000 0.818 227 A HN 0.663 nan 8.150 nan 0.000 0.443 228 D N 0.174 120.576 120.400 0.002 0.000 2.363 228 D HA 0.254 4.893 4.640 -0.001 0.000 0.226 228 D C 0.661 176.963 176.300 0.002 0.000 1.020 228 D CA 0.638 54.639 54.000 0.002 0.000 0.892 228 D CB -0.452 40.349 40.800 0.002 0.000 0.900 228 D HN 0.372 nan 8.370 nan 0.000 0.531 229 A N 0.500 123.321 122.820 0.003 0.000 2.388 229 A HA 0.557 4.877 4.320 -0.001 0.000 0.257 229 A C 0.476 178.062 177.584 0.003 0.000 1.095 229 A CA -0.190 51.849 52.037 0.003 0.000 0.791 229 A CB 0.545 19.547 19.000 0.003 0.000 1.029 229 A HN 0.310 nan 8.150 nan 0.000 0.489 230 A N 3.763 126.585 122.820 0.003 0.000 2.450 230 A HA 0.545 4.865 4.320 -0.001 0.000 0.255 230 A C -2.127 175.460 177.584 0.004 0.000 1.096 230 A CA -1.134 50.906 52.037 0.004 0.000 0.778 230 A CB -0.751 18.251 19.000 0.004 0.000 1.031 230 A HN 0.670 nan 8.150 nan 0.000 0.494 231 P HA 0.105 nan 4.420 nan 0.000 0.263 231 P C -0.559 176.744 177.300 0.005 0.000 1.168 231 P CA 0.263 63.366 63.100 0.005 0.000 0.759 231 P CB 0.346 32.050 31.700 0.006 0.000 0.782 232 V N 3.821 123.738 119.914 0.005 0.000 2.612 232 V HA 0.469 4.588 4.120 -0.001 0.000 0.301 232 V C 0.471 176.567 176.094 0.003 0.000 1.046 232 V CA -0.015 62.288 62.300 0.005 0.000 0.946 232 V CB 1.983 33.809 31.823 0.006 0.000 1.003 232 V HN 0.534 nan 8.190 nan 0.000 0.459 233 T N 2.660 117.215 114.554 0.001 0.000 2.906 233 T HA 0.867 5.217 4.350 -0.001 0.000 0.295 233 T C -0.587 174.107 174.700 -0.010 0.000 1.061 233 T CA -0.271 61.826 62.100 -0.005 0.000 1.000 233 T CB 1.913 70.780 68.868 -0.002 0.000 1.103 233 T HN 1.099 nan 8.240 nan 0.000 0.486 234 A N 1.831 124.637 122.820 -0.024 0.000 2.608 234 A HA 0.779 5.098 4.320 -0.001 0.000 0.292 234 A C -2.004 175.543 177.584 -0.062 0.000 1.066 234 A CA -0.729 51.295 52.037 -0.022 0.000 0.676 234 A CB 1.085 20.089 19.000 0.007 0.000 1.277 234 A HN 0.734 nan 8.150 nan 0.000 0.413 235 L N 1.766 122.955 121.223 -0.057 0.000 2.296 235 L HA 0.640 4.980 4.340 -0.001 0.000 0.286 235 L C -0.224 176.604 176.870 -0.072 0.000 1.023 235 L CA -0.803 53.976 54.840 -0.103 0.000 0.812 235 L CB 1.368 43.358 42.059 -0.116 0.000 1.223 235 L HN 0.621 nan 8.230 nan 0.000 0.421 236 R N 1.224 121.664 120.500 -0.100 0.000 2.621 236 R HA 0.438 4.778 4.340 -0.001 0.000 0.292 236 R C -0.240 175.992 176.300 -0.114 0.000 0.969 236 R CA -0.651 55.370 56.100 -0.133 0.000 0.887 236 R CB 2.246 32.472 30.300 -0.124 0.000 1.180 236 R HN 0.720 nan 8.270 nan 0.000 0.450 237 T N -1.545 112.926 114.554 -0.138 0.000 2.766 237 T HA 0.467 4.817 4.350 -0.001 0.000 0.295 237 T C 0.751 175.427 174.700 -0.040 0.000 1.024 237 T CA -0.554 61.499 62.100 -0.079 0.000 1.018 237 T CB 0.803 69.620 68.868 -0.085 0.000 1.002 237 T HN 0.374 nan 8.240 nan 0.000 0.532 238 V N -1.954 117.966 119.914 0.011 0.000 3.102 238 V HA 0.701 4.820 4.120 -0.001 0.000 0.312 238 V C -0.916 175.236 176.094 0.097 0.000 1.135 238 V CA -1.311 61.032 62.300 0.071 0.000 1.022 238 V CB 1.757 33.651 31.823 0.119 0.000 1.056 238 V HN 0.960 nan 8.190 nan 0.000 0.436 239 D N 1.340 121.827 120.400 0.145 0.000 2.256 239 D HA 0.369 5.009 4.640 -0.001 0.000 0.250 239 D C -0.259 176.154 176.300 0.188 0.000 1.093 239 D CA 0.624 54.704 54.000 0.133 0.000 0.882 239 D CB 0.550 41.408 40.800 0.096 0.000 1.185 239 D HN 0.789 nan 8.370 nan 0.000 0.437 240 E N 2.636 122.919 120.200 0.138 0.000 2.689 240 E HA -0.136 4.213 4.350 -0.001 0.000 0.165 240 E C -1.974 174.672 176.600 0.077 0.000 1.609 240 E CA 0.049 56.525 56.400 0.127 0.000 0.674 240 E CB -0.966 28.832 29.700 0.163 0.000 1.103 240 E HN 0.510 nan 8.360 nan 0.000 0.373 241 P HA -0.192 nan 4.420 nan 0.000 0.218 241 P C 1.301 178.582 177.300 -0.032 0.000 1.146 241 P CA 2.129 65.229 63.100 -0.001 0.000 0.813 241 P CB 0.269 31.994 31.700 0.042 0.000 0.778 242 A N 0.078 122.901 122.820 0.005 0.000 1.872 242 A HA -0.006 4.313 4.320 -0.001 0.000 0.214 242 A C 2.312 179.894 177.584 -0.003 0.000 1.187 242 A CA 1.693 53.732 52.037 0.005 0.000 0.614 242 A CB -1.558 17.463 19.000 0.034 0.000 0.826 242 A HN 0.176 nan 8.150 nan 0.000 0.442 243 A N -0.666 122.171 122.820 0.029 0.000 2.024 243 A HA -0.057 4.262 4.320 -0.001 0.000 0.220 243 A C 2.086 179.584 177.584 -0.144 0.000 1.164 243 A CA 1.780 53.864 52.037 0.079 0.000 0.643 243 A CB -0.486 18.688 19.000 0.289 0.000 0.806 243 A HN 0.688 nan 8.150 nan 0.000 0.451 244 L N -0.973 119.992 121.223 -0.429 0.000 2.162 244 L HA 0.204 4.543 4.340 -0.001 0.000 0.205 244 L C 2.577 179.343 176.870 -0.173 0.000 1.086 244 L CA 1.817 56.282 54.840 -0.625 0.000 0.778 244 L CB -0.686 40.992 42.059 -0.636 0.000 0.928 244 L HN 0.266 nan 8.230 nan 0.000 0.446 245 A N -0.300 122.467 122.820 -0.089 0.000 1.933 245 A HA -0.058 4.261 4.320 -0.001 0.000 0.218 245 A C 2.295 179.911 177.584 0.055 0.000 1.175 245 A CA 1.499 53.530 52.037 -0.011 0.000 0.628 245 A CB -1.544 17.440 19.000 -0.027 0.000 0.814 245 A HN 0.515 nan 8.150 nan 0.000 0.444 246 G N -1.372 107.461 108.800 0.055 0.000 2.408 246 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 246 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 246 G C 1.467 176.446 174.900 0.133 0.000 1.150 246 G CA 1.361 46.529 45.100 0.114 0.000 0.776 246 G HN 0.778 nan 8.290 nan 0.000 0.542 247 H N 0.342 119.427 119.070 0.025 0.000 2.321 247 H HA 0.108 4.664 4.556 -0.001 0.000 0.300 247 H C 2.455 177.805 175.328 0.036 0.000 1.087 247 H CA 1.341 57.413 56.048 0.041 0.000 1.319 247 H CB -0.181 29.605 29.762 0.042 0.000 1.379 247 H HN 0.264 nan 8.280 nan 0.000 0.501 248 L N -0.908 120.389 121.223 0.123 0.000 2.141 248 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 248 L C 2.001 178.912 176.870 0.068 0.000 1.094 248 L CA 0.767 55.659 54.840 0.086 0.000 0.763 248 L CB -0.355 41.770 42.059 0.111 0.000 0.908 248 L HN 0.307 nan 8.230 nan 0.000 0.437 249 F N 1.366 121.286 119.950 -0.051 0.000 2.293 249 F HA -0.156 4.370 4.527 -0.001 0.000 0.297 249 F C 2.416 178.173 175.800 -0.072 0.000 1.089 249 F CA 1.446 59.417 58.000 -0.049 0.000 1.377 249 F CB -0.052 38.928 39.000 -0.033 0.000 1.051 249 F HN 0.086 nan 8.300 nan 0.000 0.511 250 E N 0.676 120.798 120.200 -0.130 0.000 2.058 250 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 250 E C 1.942 178.380 176.600 -0.271 0.000 0.997 250 E CA 2.199 58.460 56.400 -0.231 0.000 0.801 250 E CB -0.489 29.086 29.700 -0.209 0.000 0.746 250 E HN 0.559 nan 8.360 nan 0.000 0.450 251 E N -0.345 119.704 120.200 -0.251 0.000 2.152 251 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 251 E C 1.983 178.485 176.600 -0.163 0.000 0.983 251 E CA 0.785 57.070 56.400 -0.192 0.000 0.818 251 E CB -0.149 29.459 29.700 -0.153 0.000 0.758 251 E HN 0.439 nan 8.360 nan 0.000 0.467 252 A N 0.989 123.701 122.820 -0.181 0.000 1.898 252 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 252 A C 2.132 179.565 177.584 -0.252 0.000 1.181 252 A CA 0.899 52.836 52.037 -0.167 0.000 0.620 252 A CB -0.535 18.403 19.000 -0.102 0.000 0.819 252 A HN 0.126 nan 8.150 nan 0.000 0.442 253 L N -0.986 119.978 121.223 -0.432 0.000 1.994 253 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 253 L C 2.700 179.438 176.870 -0.221 0.000 1.071 253 L CA 1.865 56.469 54.840 -0.393 0.000 0.745 253 L CB -0.557 41.199 42.059 -0.505 0.000 0.892 253 L HN 0.413 nan 8.230 nan 0.000 0.431 254 E N -0.159 119.923 120.200 -0.196 0.000 2.130 254 E HA -0.248 4.102 4.350 -0.001 0.000 0.196 254 E C 2.296 178.836 176.600 -0.100 0.000 0.998 254 E CA 1.602 57.923 56.400 -0.130 0.000 0.806 254 E CB -0.161 29.468 29.700 -0.119 0.000 0.738 254 E HN 0.258 nan 8.360 nan 0.000 0.459 255 S N -0.451 115.187 115.700 -0.103 0.000 2.423 255 S HA -0.028 4.441 4.470 -0.001 0.000 0.231 255 S C 1.213 175.775 174.600 -0.064 0.000 1.014 255 S CA 0.782 58.939 58.200 -0.071 0.000 0.965 255 S CB -0.238 62.924 63.200 -0.063 0.000 0.785 255 S HN 0.291 nan 8.310 nan 0.000 0.495 256 N N 0.839 119.490 118.700 -0.081 0.000 2.322 256 N HA 0.151 4.890 4.740 -0.001 0.000 0.216 256 N C 0.822 176.298 175.510 -0.057 0.000 1.144 256 N CA 0.642 53.654 53.050 -0.063 0.000 0.830 256 N CB 0.421 38.867 38.487 -0.067 0.000 1.034 256 N HN 0.549 nan 8.380 nan 0.000 0.484 257 G N 0.367 109.132 108.800 -0.058 0.000 2.176 257 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.252 257 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.252 257 G C -0.160 174.707 174.900 -0.054 0.000 1.024 257 G CA 0.037 45.108 45.100 -0.049 0.000 0.755 257 G HN 0.196 nan 8.290 nan 0.000 0.507 258 V N 1.133 121.002 119.914 -0.076 0.000 2.378 258 V HA 0.546 4.666 4.120 -0.001 0.000 0.288 258 V C 0.679 176.721 176.094 -0.087 0.000 1.016 258 V CA -0.264 61.989 62.300 -0.078 0.000 0.840 258 V CB 1.615 33.378 31.823 -0.100 0.000 0.994 258 V HN 0.332 nan 8.190 nan 0.000 0.431 259 T N 4.309 118.825 114.554 -0.064 0.000 2.910 259 T HA 0.538 4.887 4.350 -0.001 0.000 0.293 259 T C -0.168 174.493 174.700 -0.064 0.000 1.015 259 T CA -0.324 61.739 62.100 -0.062 0.000 1.094 259 T CB 1.580 70.422 68.868 -0.044 0.000 0.968 259 T HN 0.383 nan 8.240 nan 0.000 0.521 260 V N 4.124 123.996 119.914 -0.070 0.000 2.419 260 V HA 0.284 4.403 4.120 -0.001 0.000 0.287 260 V C 0.700 176.761 176.094 -0.056 0.000 1.017 260 V CA -0.805 61.454 62.300 -0.068 0.000 0.844 260 V CB 1.558 33.325 31.823 -0.093 0.000 1.011 260 V HN 0.761 nan 8.190 nan 0.000 0.429 261 K N 2.492 122.867 120.400 -0.042 0.000 2.365 261 K HA 0.178 4.497 4.320 -0.001 0.000 0.197 261 K C 1.234 177.811 176.600 -0.038 0.000 1.042 261 K CA 0.671 56.937 56.287 -0.034 0.000 0.987 261 K CB 0.468 32.956 32.500 -0.021 0.000 0.779 261 K HN 0.751 nan 8.250 nan 0.000 0.484 262 G N 1.002 109.770 108.800 -0.052 0.000 2.624 262 G HA2 0.136 4.095 3.960 -0.001 0.000 0.217 262 G HA3 0.136 4.095 3.960 -0.001 0.000 0.217 262 G C -0.543 174.304 174.900 -0.088 0.000 1.506 262 G CA -0.309 44.748 45.100 -0.071 0.000 1.072 262 G HN 0.021 nan 8.290 nan 0.000 0.568 263 D N -1.255 119.066 120.400 -0.133 0.000 2.601 263 D HA 0.424 5.063 4.640 -0.001 0.000 0.230 263 D C -0.620 175.569 176.300 -0.184 0.000 1.106 263 D CA -0.351 53.577 54.000 -0.120 0.000 0.873 263 D CB 2.322 43.069 40.800 -0.090 0.000 1.515 263 D HN 0.104 nan 8.370 nan 0.000 0.468 264 V N 0.659 120.511 119.914 -0.104 0.000 2.498 264 V HA 0.703 4.822 4.120 -0.001 0.000 0.279 264 V C 0.838 176.889 176.094 -0.072 0.000 1.048 264 V CA 0.096 62.344 62.300 -0.087 0.000 0.967 264 V CB 1.046 32.886 31.823 0.027 0.000 0.988 264 V HN 0.752 nan 8.190 nan 0.000 0.473 265 G N 3.602 112.334 108.800 -0.113 0.000 2.623 265 G HA2 0.597 4.557 3.960 -0.001 0.000 0.290 265 G HA3 0.597 4.557 3.960 -0.001 0.000 0.290 265 G C -1.501 173.472 174.900 0.122 0.000 1.437 265 G CA -1.005 44.093 45.100 -0.003 0.000 0.798 265 G HN 0.579 nan 8.290 nan 0.000 0.488 266 L N 0.116 121.446 121.223 0.179 0.000 2.418 266 L HA 0.750 5.090 4.340 -0.001 0.000 0.265 266 L C 0.841 177.886 176.870 0.291 0.000 1.143 266 L CA 0.081 55.042 54.840 0.201 0.000 0.809 266 L CB 1.392 43.535 42.059 0.139 0.000 1.124 266 L HN 1.062 nan 8.230 nan 0.000 0.456 267 G N 0.609 109.551 108.800 0.236 0.000 2.308 267 G HA2 0.409 4.369 3.960 -0.001 0.000 0.288 267 G HA3 0.409 4.369 3.960 -0.001 0.000 0.288 267 G C -0.955 174.042 174.900 0.162 0.000 1.722 267 G CA -0.397 44.793 45.100 0.150 0.000 0.924 267 G HN 0.832 nan 8.290 nan 0.000 0.732 268 G N -0.553 108.239 108.800 -0.013 0.000 2.425 268 G HA2 0.626 4.585 3.960 -0.001 0.000 0.302 268 G HA3 0.626 4.585 3.960 -0.001 0.000 0.302 268 G C 0.282 174.845 174.900 -0.561 0.000 1.159 268 G CA -0.511 44.496 45.100 -0.154 0.000 0.865 268 G HN 1.293 nan 8.290 nan 0.000 0.515 269 V N 3.333 122.744 119.914 -0.838 0.000 2.475 269 V HA 0.003 4.123 4.120 -0.001 0.000 0.292 269 V C -0.706 174.798 176.094 -0.983 0.000 1.003 269 V CA -0.444 61.038 62.300 -1.362 0.000 1.120 269 V CB 0.930 32.193 31.823 -0.934 0.000 0.937 269 V HN 0.674 nan 8.190 nan 0.000 0.476 270 P HA -0.378 nan 4.420 nan 0.000 0.227 270 P C 1.287 178.315 177.300 -0.453 0.000 1.154 270 P CA 2.345 65.001 63.100 -0.739 0.000 0.879 270 P CB 0.040 31.185 31.700 -0.926 0.000 0.779 271 A N -1.564 120.992 122.820 -0.440 0.000 4.287 271 A HA -0.388 3.931 4.320 -0.001 0.000 0.258 271 A C 1.696 179.230 177.584 -0.083 0.000 0.811 271 A CA 2.079 53.997 52.037 -0.197 0.000 1.245 271 A CB -2.760 16.151 19.000 -0.149 0.000 1.055 271 A HN 0.423 nan 8.150 nan 0.000 0.763 272 D N -1.464 118.883 120.400 -0.089 0.000 2.219 272 D HA -0.072 4.567 4.640 -0.001 0.000 0.205 272 D C 0.521 176.972 176.300 0.251 0.000 0.970 272 D CA 1.131 55.175 54.000 0.072 0.000 0.851 272 D CB -0.124 40.735 40.800 0.098 0.000 0.943 272 D HN 0.612 nan 8.370 nan 0.000 0.488 273 W N 1.941 123.208 121.300 -0.054 0.000 2.419 273 W HA 0.328 4.988 4.660 -0.000 0.000 0.312 273 W C 1.168 177.664 176.519 -0.038 0.000 1.323 273 W CA -0.714 56.605 57.345 -0.044 0.000 1.293 273 W CB 0.167 29.592 29.460 -0.058 0.000 1.324 273 W HN 0.127 nan 8.180 nan 0.000 0.512 274 Q N 0.965 120.869 119.800 0.172 0.000 2.269 274 Q HA -0.049 4.290 4.340 -0.001 0.000 0.201 274 Q C -0.149 175.899 176.000 0.080 0.000 0.946 274 Q CA 0.978 56.838 55.803 0.094 0.000 0.877 274 Q CB 0.431 29.203 28.738 0.056 0.000 0.963 274 Q HN 0.333 nan 8.270 nan 0.000 0.472 275 D N 0.056 120.504 120.400 0.080 0.000 2.621 275 D HA 0.259 4.899 4.640 -0.001 0.000 0.274 275 D C -1.189 175.143 176.300 0.054 0.000 1.215 275 D CA -0.030 54.002 54.000 0.053 0.000 0.810 275 D CB 0.840 41.650 40.800 0.016 0.000 1.248 275 D HN 0.092 nan 8.370 nan 0.000 0.517 276 A N 1.027 123.930 122.820 0.138 0.000 2.445 276 A HA 0.244 4.564 4.320 -0.001 0.000 0.242 276 A C 0.507 178.146 177.584 0.092 0.000 1.075 276 A CA -0.009 52.135 52.037 0.178 0.000 0.777 276 A CB 0.693 19.945 19.000 0.419 0.000 1.013 276 A HN 0.228 nan 8.150 nan 0.000 0.493 277 E N 1.064 121.299 120.200 0.059 0.000 2.229 277 E HA 0.410 4.759 4.350 -0.001 0.000 0.283 277 E C -0.925 175.719 176.600 0.073 0.000 1.030 277 E CA -0.106 56.319 56.400 0.043 0.000 0.836 277 E CB 1.028 30.735 29.700 0.013 0.000 1.068 277 E HN 0.272 nan 8.360 nan 0.000 0.401 278 V N 7.803 127.749 119.914 0.052 0.000 2.267 278 V HA 0.048 4.168 4.120 -0.001 0.000 0.254 278 V C 1.253 177.375 176.094 0.047 0.000 1.144 278 V CA 0.040 62.370 62.300 0.050 0.000 0.992 278 V CB -0.096 31.741 31.823 0.023 0.000 1.199 278 V HN 0.802 nan 8.190 nan 0.000 0.493 279 L N 2.830 124.093 121.223 0.067 0.000 2.131 279 L HA 0.096 4.435 4.340 -0.001 0.000 0.210 279 L C 1.134 178.043 176.870 0.065 0.000 1.092 279 L CA 1.523 56.404 54.840 0.067 0.000 0.759 279 L CB -0.204 41.911 42.059 0.093 0.000 0.903 279 L HN 0.720 nan 8.230 nan 0.000 0.435 280 A N -0.605 122.253 122.820 0.063 0.000 2.599 280 A HA 0.613 4.933 4.320 -0.001 0.000 0.290 280 A C -1.767 175.833 177.584 0.026 0.000 1.101 280 A CA -0.547 51.523 52.037 0.055 0.000 0.674 280 A CB 1.451 20.506 19.000 0.093 0.000 1.277 280 A HN 0.167 nan 8.150 nan 0.000 0.419 281 D N -0.241 120.176 120.400 0.028 0.000 2.685 281 D HA 0.440 5.079 4.640 -0.001 0.000 0.236 281 D C -1.477 174.861 176.300 0.063 0.000 1.233 281 D CA -0.308 53.699 54.000 0.012 0.000 0.760 281 D CB 1.224 42.011 40.800 -0.021 0.000 1.410 281 D HN 0.698 nan 8.370 nan 0.000 0.439 282 H N -0.632 118.402 119.070 -0.060 0.000 2.821 282 H HA 0.653 5.208 4.556 -0.001 0.000 0.373 282 H C -1.386 173.904 175.328 -0.064 0.000 1.165 282 H CA 0.010 56.029 56.048 -0.049 0.000 1.154 282 H CB 2.421 32.157 29.762 -0.043 0.000 1.765 282 H HN 0.359 nan 8.280 nan 0.000 0.549 283 T N 2.918 117.021 114.554 -0.752 0.000 2.848 283 T HA 0.370 4.719 4.350 -0.001 0.000 0.285 283 T C -0.354 173.943 174.700 -0.671 0.000 0.995 283 T CA -0.695 61.099 62.100 -0.509 0.000 0.970 283 T CB 1.029 69.709 68.868 -0.314 0.000 0.976 283 T HN 0.746 nan 8.240 nan 0.000 0.441 284 S N 2.347 117.854 115.700 -0.322 0.000 2.652 284 S HA 0.788 5.258 4.470 -0.001 0.000 0.267 284 S C 0.755 175.297 174.600 -0.098 0.000 1.201 284 S CA -0.763 57.356 58.200 -0.136 0.000 0.996 284 S CB 0.436 63.663 63.200 0.045 0.000 1.054 284 S HN 0.957 nan 8.310 nan 0.000 0.561 285 A N 0.187 122.988 122.820 -0.032 0.000 2.310 285 A HA 0.370 4.689 4.320 -0.001 0.000 0.260 285 A C 0.472 178.054 177.584 -0.003 0.000 1.112 285 A CA -0.512 51.517 52.037 -0.013 0.000 0.804 285 A CB -0.439 18.573 19.000 0.018 0.000 1.081 285 A HN 0.872 nan 8.150 nan 0.000 0.499 286 E N -0.755 119.444 120.200 -0.002 0.000 2.371 286 E HA 0.148 4.497 4.350 -0.001 0.000 0.257 286 E C 0.791 177.432 176.600 0.069 0.000 1.134 286 E CA -0.602 55.795 56.400 -0.006 0.000 0.919 286 E CB 0.456 30.154 29.700 -0.004 0.000 1.025 286 E HN 0.541 nan 8.360 nan 0.000 0.438 287 L N 2.311 123.586 121.223 0.087 0.000 2.043 287 L HA -0.276 4.064 4.340 -0.001 0.000 0.212 287 L C 2.322 179.272 176.870 0.135 0.000 1.075 287 L CA 2.482 57.417 54.840 0.158 0.000 0.752 287 L CB -0.819 41.322 42.059 0.137 0.000 0.891 287 L HN 0.702 nan 8.230 nan 0.000 0.432 288 S N -1.506 114.259 115.700 0.109 0.000 2.402 288 S HA -0.198 4.271 4.470 -0.001 0.000 0.233 288 S C 1.732 176.408 174.600 0.128 0.000 1.030 288 S CA 1.318 59.590 58.200 0.120 0.000 1.003 288 S CB -0.577 62.690 63.200 0.112 0.000 0.813 288 S HN 0.580 nan 8.310 nan 0.000 0.477 289 E N 1.653 121.924 120.200 0.118 0.000 2.060 289 E HA 0.165 4.515 4.350 -0.001 0.000 0.189 289 E C 2.187 178.887 176.600 0.167 0.000 0.974 289 E CA 0.804 57.282 56.400 0.131 0.000 0.808 289 E CB -0.525 29.237 29.700 0.103 0.000 0.768 289 E HN 0.624 nan 8.360 nan 0.000 0.453 290 I N 1.345 121.999 120.570 0.141 0.000 2.567 290 I HA -0.200 3.969 4.170 -0.001 0.000 0.257 290 I C 2.387 178.648 176.117 0.239 0.000 1.184 290 I CA 0.546 61.926 61.300 0.133 0.000 1.451 290 I CB -0.275 37.742 38.000 0.029 0.000 1.089 290 I HN 0.021 nan 8.210 nan 0.000 0.441 291 L N 0.159 121.525 121.223 0.238 0.000 2.046 291 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 291 L C 2.659 179.680 176.870 0.252 0.000 1.077 291 L CA 1.252 56.273 54.840 0.302 0.000 0.747 291 L CB -0.499 41.688 42.059 0.212 0.000 0.896 291 L HN 0.122 nan 8.230 nan 0.000 0.432 292 V N 0.729 120.761 119.914 0.197 0.000 2.214 292 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 292 V C -0.082 176.078 176.094 0.110 0.000 1.051 292 V CA 2.496 64.876 62.300 0.133 0.000 1.003 292 V CB -2.196 29.748 31.823 0.201 0.000 0.635 292 V HN 0.386 nan 8.190 nan 0.000 0.447 293 P HA -0.230 nan 4.420 nan 0.000 0.218 293 P C 1.807 179.312 177.300 0.342 0.000 1.148 293 P CA 1.867 65.183 63.100 0.360 0.000 0.822 293 P CB -0.204 31.965 31.700 0.782 0.000 0.784 294 F N 0.515 120.636 119.950 0.285 0.000 2.051 294 F HA -0.189 4.337 4.527 -0.001 0.000 0.296 294 F C 2.187 178.022 175.800 0.059 0.000 1.122 294 F CA 1.468 59.628 58.000 0.266 0.000 1.201 294 F CB -0.389 38.814 39.000 0.339 0.000 0.978 294 F HN -0.288 nan 8.300 nan 0.000 0.472 295 M N 0.523 119.891 119.600 -0.386 0.000 2.193 295 M HA -0.098 4.381 4.480 -0.001 0.000 0.265 295 M C 1.976 178.021 176.300 -0.426 0.000 1.071 295 M CA 1.209 56.168 55.300 -0.568 0.000 1.140 295 M CB -1.138 31.184 32.600 -0.464 0.000 1.369 295 M HN 0.072 nan 8.290 nan 0.000 0.423 296 K N 0.466 120.591 120.400 -0.460 0.000 2.009 296 K HA -0.102 4.217 4.320 -0.001 0.000 0.210 296 K C 1.667 177.852 176.600 -0.691 0.000 1.049 296 K CA 1.545 57.416 56.287 -0.694 0.000 0.929 296 K CB -0.618 31.204 32.500 -1.130 0.000 0.714 296 K HN 0.327 nan 8.250 nan 0.000 0.440 297 F N 0.455 120.298 119.950 -0.178 0.000 2.664 297 F HA 0.237 4.763 4.527 -0.001 0.000 0.303 297 F C 0.628 176.354 175.800 -0.124 0.000 1.092 297 F CA -0.522 57.385 58.000 -0.156 0.000 1.305 297 F CB -0.279 38.623 39.000 -0.163 0.000 1.054 297 F HN -0.164 nan 8.300 nan 0.000 0.565 298 S N 1.531 117.191 115.700 -0.066 0.000 3.625 298 S HA -0.311 4.159 4.470 -0.001 0.000 0.426 298 S C 0.073 174.710 174.600 0.060 0.000 0.884 298 S CA 0.234 58.383 58.200 -0.084 0.000 1.322 298 S CB -1.904 61.246 63.200 -0.083 0.000 0.905 298 S HN 0.676 nan 8.310 nan 0.000 0.586 299 N N 1.877 120.681 118.700 0.174 0.000 2.415 299 N HA 0.265 5.005 4.740 -0.001 0.000 0.246 299 N C 1.217 176.896 175.510 0.282 0.000 1.078 299 N CA -0.617 52.524 53.050 0.153 0.000 0.942 299 N CB 0.302 38.700 38.487 -0.148 0.000 1.140 299 N HN 0.419 nan 8.380 nan 0.000 0.501 300 N N 2.972 121.792 118.700 0.200 0.000 2.104 300 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 300 N C 1.813 177.486 175.510 0.271 0.000 1.024 300 N CA 1.177 54.368 53.050 0.234 0.000 0.853 300 N CB -0.504 38.060 38.487 0.129 0.000 1.008 300 N HN 0.706 nan 8.380 nan 0.000 0.424 301 G N 0.439 109.367 108.800 0.213 0.000 2.440 301 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 301 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 301 G C 1.301 176.365 174.900 0.273 0.000 1.154 301 G CA 0.893 46.142 45.100 0.250 0.000 0.767 301 G HN 0.495 nan 8.290 nan 0.000 0.552 302 H N 0.341 119.451 119.070 0.067 0.000 2.353 302 H HA 0.038 4.593 4.556 -0.001 0.000 0.300 302 H C 3.022 178.124 175.328 -0.377 0.000 1.090 302 H CA 0.496 56.430 56.048 -0.190 0.000 1.327 302 H CB 0.123 29.712 29.762 -0.288 0.000 1.383 302 H HN 0.448 nan 8.280 nan 0.000 0.508 303 A N 1.429 124.222 122.820 -0.045 0.000 1.858 303 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 303 A C 2.191 179.854 177.584 0.131 0.000 1.190 303 A CA 1.584 53.650 52.037 0.048 0.000 0.617 303 A CB -0.172 19.086 19.000 0.430 0.000 0.827 303 A HN 0.311 nan 8.150 nan 0.000 0.443 304 E N -0.158 120.198 120.200 0.260 0.000 2.077 304 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 304 E C 2.077 178.735 176.600 0.097 0.000 0.989 304 E CA 1.326 57.935 56.400 0.349 0.000 0.800 304 E CB -0.563 29.481 29.700 0.572 0.000 0.746 304 E HN 0.714 nan 8.360 nan 0.000 0.452 305 M N 0.239 119.886 119.600 0.077 0.000 2.202 305 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 305 M C 2.365 178.643 176.300 -0.037 0.000 1.063 305 M CA 1.088 56.419 55.300 0.053 0.000 1.097 305 M CB -0.247 32.409 32.600 0.094 0.000 1.382 305 M HN 0.066 nan 8.290 nan 0.000 0.413 306 L N -0.874 120.299 121.223 -0.084 0.000 2.027 306 L HA -0.177 4.163 4.340 -0.001 0.000 0.206 306 L C 2.449 179.290 176.870 -0.049 0.000 1.074 306 L CA 0.878 55.676 54.840 -0.071 0.000 0.745 306 L CB -0.627 41.354 42.059 -0.130 0.000 0.898 306 L HN 0.099 nan 8.230 nan 0.000 0.433 307 V N 0.301 120.195 119.914 -0.035 0.000 2.252 307 V HA -0.364 3.755 4.120 -0.001 0.000 0.249 307 V C 2.470 178.451 176.094 -0.188 0.000 1.056 307 V CA 2.003 64.284 62.300 -0.031 0.000 1.022 307 V CB -0.574 31.313 31.823 0.107 0.000 0.641 307 V HN 0.446 nan 8.190 nan 0.000 0.445 308 K N -0.248 119.889 120.400 -0.439 0.000 2.209 308 K HA -0.131 4.188 4.320 -0.001 0.000 0.204 308 K C 2.366 178.673 176.600 -0.489 0.000 1.048 308 K CA 1.562 57.387 56.287 -0.771 0.000 0.940 308 K CB -0.274 31.222 32.500 -1.672 0.000 0.729 308 K HN 0.399 nan 8.250 nan 0.000 0.451 309 S N 1.338 116.953 115.700 -0.143 0.000 2.368 309 S HA -0.045 4.424 4.470 -0.001 0.000 0.224 309 S C 1.938 176.570 174.600 0.054 0.000 1.029 309 S CA 0.882 59.208 58.200 0.210 0.000 0.988 309 S CB -0.137 63.279 63.200 0.361 0.000 0.838 309 S HN 0.210 nan 8.310 nan 0.000 0.462 310 I N 1.458 122.012 120.570 -0.026 0.000 2.286 310 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 310 I C 2.587 178.667 176.117 -0.063 0.000 1.115 310 I CA 1.109 62.385 61.300 -0.039 0.000 1.392 310 I CB -0.704 37.278 38.000 -0.030 0.000 1.065 310 I HN 0.362 nan 8.210 nan 0.000 0.418 311 G N -0.289 108.439 108.800 -0.121 0.000 2.443 311 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 311 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 311 G C 1.639 176.442 174.900 -0.162 0.000 1.131 311 G CA 0.238 45.247 45.100 -0.151 0.000 0.775 311 G HN 0.258 nan 8.290 nan 0.000 0.547 312 Q N -0.048 119.653 119.800 -0.166 0.000 2.096 312 Q HA -0.025 4.315 4.340 -0.001 0.000 0.197 312 Q C 2.439 178.398 176.000 -0.068 0.000 0.964 312 Q CA 1.332 57.010 55.803 -0.209 0.000 0.838 312 Q CB -0.135 28.461 28.738 -0.237 0.000 0.906 312 Q HN 0.539 nan 8.270 nan 0.000 0.444 313 E N 0.091 120.297 120.200 0.011 0.000 2.047 313 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 313 E C 1.834 178.438 176.600 0.006 0.000 0.987 313 E CA 2.045 58.469 56.400 0.039 0.000 0.799 313 E CB -0.124 29.593 29.700 0.028 0.000 0.752 313 E HN 0.403 nan 8.360 nan 0.000 0.449 314 T N -3.006 111.538 114.554 -0.017 0.000 3.043 314 T HA 0.253 4.602 4.350 -0.001 0.000 0.263 314 T C 1.336 176.018 174.700 -0.029 0.000 1.094 314 T CA 0.759 62.849 62.100 -0.018 0.000 1.127 314 T CB 0.320 69.177 68.868 -0.019 0.000 0.905 314 T HN 0.153 nan 8.240 nan 0.000 0.490 315 A N -0.121 122.668 122.820 -0.053 0.000 2.701 315 A HA 0.689 5.008 4.320 -0.001 0.000 0.241 315 A C 1.407 178.938 177.584 -0.088 0.000 1.231 315 A CA 0.282 52.281 52.037 -0.062 0.000 1.003 315 A CB -0.207 18.754 19.000 -0.066 0.000 1.281 315 A HN 1.312 nan 8.150 nan 0.000 0.600 316 G N -0.313 108.419 108.800 -0.113 0.000 2.314 316 G HA2 0.253 4.212 3.960 -0.001 0.000 0.292 316 G HA3 0.253 4.212 3.960 -0.001 0.000 0.292 316 G C 0.182 174.947 174.900 -0.225 0.000 1.059 316 G CA 0.462 45.462 45.100 -0.166 0.000 0.982 316 G HN 2.038 nan 8.290 nan 0.000 0.505 317 A N -0.557 122.108 122.820 -0.259 0.000 2.550 317 A HA 0.768 5.087 4.320 -0.001 0.000 0.282 317 A C 0.406 177.799 177.584 -0.318 0.000 1.071 317 A CA 0.507 52.387 52.037 -0.261 0.000 0.838 317 A CB 0.883 19.777 19.000 -0.176 0.000 1.361 317 A HN 1.843 nan 8.150 nan 0.000 0.408 318 G N 2.169 110.743 108.800 -0.377 0.000 2.916 318 G HA2 0.475 4.434 3.960 -0.001 0.000 0.280 318 G HA3 0.475 4.434 3.960 -0.001 0.000 0.280 318 G C -0.047 174.537 174.900 -0.528 0.000 0.758 318 G CA 0.420 45.224 45.100 -0.493 0.000 1.993 318 G HN 0.656 nan 8.290 nan 0.000 0.564 319 T N 0.550 114.830 114.554 -0.456 0.000 2.903 319 T HA 0.234 4.583 4.350 -0.001 0.000 0.299 319 T C 0.358 174.865 174.700 -0.323 0.000 1.093 319 T CA -0.676 61.193 62.100 -0.384 0.000 1.002 319 T CB 1.715 70.464 68.868 -0.199 0.000 1.127 319 T HN 0.384 nan 8.240 nan 0.000 0.488 320 W N 1.215 122.400 121.300 -0.193 0.000 2.381 320 W HA -0.060 4.600 4.660 0.000 0.000 0.301 320 W C 1.485 177.927 176.519 -0.128 0.000 1.205 320 W CA 1.004 58.249 57.345 -0.167 0.000 1.285 320 W CB -0.501 28.857 29.460 -0.170 0.000 1.133 320 W HN 0.755 nan 8.180 nan 0.000 0.521 321 D N -0.053 120.408 120.400 0.103 0.000 2.092 321 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 321 D C 2.282 178.581 176.300 -0.002 0.000 0.994 321 D CA 2.310 56.331 54.000 0.036 0.000 0.828 321 D CB -0.877 39.929 40.800 0.009 0.000 0.963 321 D HN -0.009 nan 8.370 nan 0.000 0.450 322 A N 0.624 123.419 122.820 -0.042 0.000 1.858 322 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 322 A C 2.411 179.963 177.584 -0.053 0.000 1.190 322 A CA 2.291 54.292 52.037 -0.061 0.000 0.617 322 A CB -1.239 17.700 19.000 -0.102 0.000 0.827 322 A HN 0.308 nan 8.150 nan 0.000 0.443 323 G N -0.397 108.358 108.800 -0.075 0.000 2.440 323 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.218 323 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.218 323 G C 1.400 176.304 174.900 0.007 0.000 1.154 323 G CA 1.241 46.308 45.100 -0.055 0.000 0.767 323 G HN 0.322 nan 8.290 nan 0.000 0.552 324 L N 0.566 121.813 121.223 0.040 0.000 2.017 324 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 324 L C 3.192 180.076 176.870 0.023 0.000 1.073 324 L CA 0.919 55.787 54.840 0.047 0.000 0.745 324 L CB -1.015 41.074 42.059 0.049 0.000 0.894 324 L HN 0.119 nan 8.230 nan 0.000 0.432 325 V N -0.245 119.674 119.914 0.009 0.000 2.332 325 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 325 V C 2.552 178.650 176.094 0.008 0.000 1.055 325 V CA 1.836 64.138 62.300 0.003 0.000 1.038 325 V CB -1.383 30.437 31.823 -0.006 0.000 0.651 325 V HN 0.594 nan 8.190 nan 0.000 0.450 326 G N -0.510 108.292 108.800 0.003 0.000 2.432 326 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 326 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 326 G C 1.629 176.543 174.900 0.024 0.000 1.135 326 G CA 1.191 46.294 45.100 0.006 0.000 0.767 326 G HN 0.407 nan 8.290 nan 0.000 0.550 327 V N 0.384 120.320 119.914 0.036 0.000 2.307 327 V HA -0.115 4.005 4.120 -0.001 0.000 0.245 327 V C 2.679 178.815 176.094 0.070 0.000 1.045 327 V CA 1.879 64.217 62.300 0.063 0.000 1.024 327 V CB -0.227 31.647 31.823 0.085 0.000 0.651 327 V HN 0.353 nan 8.190 nan 0.000 0.449 328 E N 0.018 120.247 120.200 0.049 0.000 2.077 328 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 328 E C 2.275 178.901 176.600 0.043 0.000 0.989 328 E CA 1.221 57.645 56.400 0.040 0.000 0.800 328 E CB 0.001 29.709 29.700 0.015 0.000 0.746 328 E HN 0.584 nan 8.360 nan 0.000 0.452 329 E N 0.270 120.490 120.200 0.034 0.000 2.031 329 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 329 E C 2.038 178.664 176.600 0.043 0.000 0.994 329 E CA 1.023 57.441 56.400 0.031 0.000 0.800 329 E CB -0.371 29.342 29.700 0.021 0.000 0.752 329 E HN 0.267 nan 8.360 nan 0.000 0.447 330 A N 1.461 124.311 122.820 0.049 0.000 1.917 330 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 330 A C 2.401 180.033 177.584 0.080 0.000 1.182 330 A CA 1.317 53.390 52.037 0.061 0.000 0.633 330 A CB -0.829 18.206 19.000 0.058 0.000 0.819 330 A HN 0.183 nan 8.150 nan 0.000 0.448 331 L N -0.451 120.828 121.223 0.093 0.000 2.131 331 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 331 L C 2.823 179.745 176.870 0.086 0.000 1.092 331 L CA 1.405 56.314 54.840 0.115 0.000 0.759 331 L CB -0.365 41.792 42.059 0.164 0.000 0.903 331 L HN 0.356 nan 8.230 nan 0.000 0.435 332 S N -0.017 115.723 115.700 0.066 0.000 2.355 332 S HA -0.099 4.371 4.470 -0.001 0.000 0.222 332 S C 2.023 176.647 174.600 0.041 0.000 1.031 332 S CA 1.146 59.375 58.200 0.048 0.000 0.993 332 S CB -0.594 62.628 63.200 0.036 0.000 0.859 332 S HN 0.583 nan 8.310 nan 0.000 0.453 333 G N 1.031 109.857 108.800 0.043 0.000 2.501 333 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.220 333 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.220 333 G C 1.208 176.130 174.900 0.037 0.000 1.114 333 G CA 0.460 45.583 45.100 0.038 0.000 0.757 333 G HN 0.398 nan 8.290 nan 0.000 0.559 334 L N 0.095 121.347 121.223 0.049 0.000 2.509 334 L HA 0.370 4.709 4.340 -0.001 0.000 0.222 334 L C 1.902 178.777 176.870 0.009 0.000 1.123 334 L CA 1.239 56.101 54.840 0.036 0.000 0.856 334 L CB 0.088 42.190 42.059 0.072 0.000 0.985 334 L HN 0.357 nan 8.230 nan 0.000 0.456 335 G N -0.997 107.816 108.800 0.020 0.000 2.134 335 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.209 335 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.209 335 G C 0.045 174.961 174.900 0.027 0.000 0.993 335 G CA 0.076 45.185 45.100 0.014 0.000 0.669 335 G HN 0.157 nan 8.290 nan 0.000 0.519 336 V N 0.752 120.695 119.914 0.047 0.000 2.509 336 V HA 0.515 4.634 4.120 -0.001 0.000 0.284 336 V C 0.322 176.456 176.094 0.067 0.000 1.047 336 V CA -0.456 61.886 62.300 0.070 0.000 0.952 336 V CB 1.829 33.721 31.823 0.115 0.000 0.988 336 V HN 0.334 nan 8.190 nan 0.000 0.469 337 D N 3.051 123.489 120.400 0.063 0.000 2.365 337 D HA 0.132 4.771 4.640 -0.001 0.000 0.237 337 D C 1.131 177.460 176.300 0.049 0.000 1.190 337 D CA -0.104 53.924 54.000 0.047 0.000 0.867 337 D CB 1.228 42.051 40.800 0.037 0.000 1.050 337 D HN 0.730 nan 8.370 nan 0.000 0.491 338 T N 1.269 115.844 114.554 0.035 0.000 3.324 338 T HA 0.362 4.712 4.350 -0.001 0.000 0.250 338 T C 1.532 176.227 174.700 -0.008 0.000 1.059 338 T CA 0.069 62.176 62.100 0.012 0.000 0.951 338 T CB 0.190 69.064 68.868 0.010 0.000 1.030 338 T HN 0.271 nan 8.240 nan 0.000 0.576 339 A N 2.313 125.133 122.820 0.001 0.000 1.836 339 A HA 0.206 4.525 4.320 -0.001 0.000 0.215 339 A C 2.296 179.869 177.584 -0.018 0.000 1.214 339 A CA 1.327 53.360 52.037 -0.005 0.000 0.636 339 A CB -1.469 17.533 19.000 0.002 0.000 0.847 339 A HN 0.681 nan 8.150 nan 0.000 0.451 340 G N -0.945 107.845 108.800 -0.018 0.000 3.374 340 G HA2 0.415 4.375 3.960 -0.001 0.000 0.252 340 G HA3 0.415 4.375 3.960 -0.001 0.000 0.252 340 G C 0.019 174.883 174.900 -0.059 0.000 1.326 340 G CA -0.225 44.858 45.100 -0.029 0.000 1.133 340 G HN 0.331 nan 8.290 nan 0.000 0.528 341 L N 0.513 121.687 121.223 -0.081 0.000 2.325 341 L HA 0.625 4.965 4.340 -0.001 0.000 0.278 341 L C -0.868 175.931 176.870 -0.118 0.000 1.023 341 L CA -0.800 53.952 54.840 -0.145 0.000 0.811 341 L CB 2.451 44.395 42.059 -0.193 0.000 1.249 341 L HN -0.131 nan 8.230 nan 0.000 0.431 342 V N 5.643 125.478 119.914 -0.132 0.000 2.488 342 V HA 0.338 4.458 4.120 -0.001 0.000 0.293 342 V C -0.375 175.656 176.094 -0.105 0.000 1.027 342 V CA -0.424 61.818 62.300 -0.096 0.000 0.862 342 V CB 1.811 33.591 31.823 -0.071 0.000 1.008 342 V HN 0.514 nan 8.190 nan 0.000 0.428 343 L N 4.252 125.422 121.223 -0.088 0.000 2.262 343 L HA 0.523 4.863 4.340 -0.001 0.000 0.288 343 L C 0.849 177.676 176.870 -0.071 0.000 1.035 343 L CA -0.180 54.615 54.840 -0.075 0.000 0.820 343 L CB 1.055 43.084 42.059 -0.050 0.000 1.204 343 L HN 0.574 nan 8.230 nan 0.000 0.424 344 N N 1.063 119.710 118.700 -0.088 0.000 2.332 344 N HA 0.008 4.747 4.740 -0.001 0.000 0.190 344 N C -0.583 174.788 175.510 -0.232 0.000 1.117 344 N CA 0.154 53.121 53.050 -0.139 0.000 0.883 344 N CB 0.757 39.166 38.487 -0.131 0.000 1.089 344 N HN 0.806 nan 8.380 nan 0.000 0.480 345 D N -3.193 117.118 120.400 -0.149 0.000 2.671 345 D HA 0.209 4.848 4.640 -0.001 0.000 0.273 345 D C 0.495 176.823 176.300 0.045 0.000 1.264 345 D CA -0.507 53.389 54.000 -0.174 0.000 0.788 345 D CB 0.535 41.216 40.800 -0.200 0.000 1.324 345 D HN -0.064 nan 8.370 nan 0.000 0.424 346 G N -0.700 108.197 108.800 0.161 0.000 2.539 346 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.215 346 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.215 346 G C 1.205 176.264 174.900 0.265 0.000 1.141 346 G CA 0.958 46.194 45.100 0.227 0.000 0.806 346 G HN 0.597 nan 8.290 nan 0.000 0.533 347 S N -0.610 115.260 115.700 0.283 0.000 2.425 347 S HA 0.330 4.800 4.470 -0.001 0.000 0.225 347 S C 1.975 176.670 174.600 0.158 0.000 1.024 347 S CA 1.280 59.636 58.200 0.261 0.000 0.951 347 S CB -0.092 63.268 63.200 0.267 0.000 0.796 347 S HN 1.451 nan 8.310 nan 0.000 0.498 348 G N 0.912 109.791 108.800 0.131 0.000 2.179 348 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 348 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 348 G C 0.514 175.412 174.900 -0.004 0.000 0.990 348 G CA 0.272 45.407 45.100 0.058 0.000 0.646 348 G HN 0.501 nan 8.290 nan 0.000 0.517 349 L N 1.063 122.285 121.223 -0.001 0.000 2.141 349 L HA 0.227 4.566 4.340 -0.001 0.000 0.209 349 L C 1.842 178.639 176.870 -0.122 0.000 1.094 349 L CA 1.477 56.214 54.840 -0.172 0.000 0.763 349 L CB -0.246 41.556 42.059 -0.430 0.000 0.908 349 L HN 0.392 nan 8.230 nan 0.000 0.437 350 S N -0.051 115.728 115.700 0.130 0.000 2.533 350 S HA 0.023 4.492 4.470 -0.001 0.000 0.282 350 S C 1.280 175.854 174.600 -0.043 0.000 1.304 350 S CA -0.505 57.758 58.200 0.105 0.000 1.063 350 S CB 0.623 63.877 63.200 0.089 0.000 0.881 350 S HN 0.258 nan 8.310 nan 0.000 0.493 351 R N 3.603 124.050 120.500 -0.088 0.000 2.316 351 R HA -0.011 4.329 4.340 -0.001 0.000 0.202 351 R C 2.010 178.291 176.300 -0.032 0.000 1.029 351 R CA 0.868 56.924 56.100 -0.074 0.000 1.018 351 R CB -0.793 29.480 30.300 -0.045 0.000 0.888 351 R HN 0.791 nan 8.270 nan 0.000 0.471 352 G N 0.948 109.728 108.800 -0.034 0.000 2.650 352 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.214 352 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.214 352 G C 0.555 175.426 174.900 -0.049 0.000 1.136 352 G CA -0.207 44.869 45.100 -0.039 0.000 0.789 352 G HN 0.209 nan 8.290 nan 0.000 0.536 353 N N 0.258 118.929 118.700 -0.049 0.000 2.503 353 N HA 0.496 5.236 4.740 -0.001 0.000 0.267 353 N C -0.618 174.856 175.510 -0.059 0.000 1.214 353 N CA 0.236 53.251 53.050 -0.059 0.000 0.959 353 N CB 1.712 40.170 38.487 -0.048 0.000 1.142 353 N HN 0.019 nan 8.380 nan 0.000 0.455 354 L N 0.523 121.697 121.223 -0.082 0.000 2.505 354 L HA 0.542 4.881 4.340 -0.001 0.000 0.259 354 L C -0.530 176.270 176.870 -0.118 0.000 0.952 354 L CA -0.881 53.914 54.840 -0.075 0.000 0.840 354 L CB 2.128 44.152 42.059 -0.057 0.000 1.358 354 L HN 0.326 nan 8.230 nan 0.000 0.409 355 V N -1.074 118.785 119.914 -0.092 0.000 3.181 355 V HA 0.895 5.015 4.120 -0.001 0.000 0.307 355 V C -0.696 175.380 176.094 -0.031 0.000 1.310 355 V CA -0.599 61.633 62.300 -0.114 0.000 1.067 355 V CB 2.133 33.873 31.823 -0.139 0.000 1.081 355 V HN 0.812 nan 8.190 nan 0.000 0.453 356 T N -2.092 112.464 114.554 0.002 0.000 2.893 356 T HA 0.768 5.117 4.350 -0.001 0.000 0.293 356 T C 0.935 175.676 174.700 0.068 0.000 1.027 356 T CA 0.037 62.156 62.100 0.031 0.000 0.988 356 T CB 1.664 70.546 68.868 0.025 0.000 1.043 356 T HN 1.951 nan 8.240 nan 0.000 0.461 357 A N 1.903 124.763 122.820 0.066 0.000 1.997 357 A HA -0.153 4.167 4.320 -0.001 0.000 0.221 357 A C 1.958 179.590 177.584 0.080 0.000 1.172 357 A CA 2.015 54.097 52.037 0.076 0.000 0.645 357 A CB -0.939 18.106 19.000 0.076 0.000 0.813 357 A HN 0.914 nan 8.150 nan 0.000 0.454 358 D N -0.809 119.634 120.400 0.072 0.000 2.117 358 D HA -0.087 4.552 4.640 -0.001 0.000 0.197 358 D C 2.036 178.390 176.300 0.090 0.000 0.987 358 D CA 1.839 55.880 54.000 0.070 0.000 0.829 358 D CB -0.511 40.321 40.800 0.054 0.000 0.961 358 D HN 0.433 nan 8.370 nan 0.000 0.460 359 T N 0.577 115.199 114.554 0.113 0.000 2.788 359 T HA -0.093 4.257 4.350 -0.001 0.000 0.268 359 T C 2.240 177.105 174.700 0.274 0.000 1.044 359 T CA 0.631 62.838 62.100 0.178 0.000 1.139 359 T CB -0.227 68.736 68.868 0.158 0.000 0.867 359 T HN -0.025 nan 8.240 nan 0.000 0.454 360 V N 1.075 121.148 119.914 0.265 0.000 2.270 360 V HA -0.137 3.982 4.120 -0.001 0.000 0.245 360 V C 2.675 178.773 176.094 0.006 0.000 1.043 360 V CA 1.303 63.705 62.300 0.169 0.000 1.014 360 V CB -0.726 31.167 31.823 0.116 0.000 0.645 360 V HN 0.297 nan 8.190 nan 0.000 0.447 361 V N 0.508 120.432 119.914 0.017 0.000 2.392 361 V HA -0.296 3.823 4.120 -0.001 0.000 0.249 361 V C 2.409 178.519 176.094 0.025 0.000 1.059 361 V CA 2.347 64.645 62.300 -0.002 0.000 1.051 361 V CB -0.702 31.141 31.823 0.034 0.000 0.658 361 V HN 0.640 nan 8.190 nan 0.000 0.455 362 D N 0.145 120.577 120.400 0.053 0.000 2.092 362 D HA -0.194 4.446 4.640 -0.001 0.000 0.193 362 D C 1.982 178.304 176.300 0.036 0.000 0.994 362 D CA 1.593 55.627 54.000 0.056 0.000 0.828 362 D CB -0.263 40.586 40.800 0.081 0.000 0.963 362 D HN 0.332 nan 8.370 nan 0.000 0.450 363 L N 0.211 121.448 121.223 0.024 0.000 2.191 363 L HA -0.043 4.296 4.340 -0.001 0.000 0.212 363 L C 2.129 178.967 176.870 -0.055 0.000 1.103 363 L CA 1.239 56.046 54.840 -0.055 0.000 0.769 363 L CB -0.363 41.548 42.059 -0.246 0.000 0.908 363 L HN 0.145 nan 8.230 nan 0.000 0.438 364 L N -1.156 120.061 121.223 -0.011 0.000 2.095 364 L HA 0.001 4.340 4.340 -0.001 0.000 0.204 364 L C 2.534 179.534 176.870 0.215 0.000 1.080 364 L CA 1.024 55.918 54.840 0.090 0.000 0.759 364 L CB -1.382 40.603 42.059 -0.123 0.000 0.914 364 L HN 0.409 nan 8.230 nan 0.000 0.439 365 G N -0.654 108.219 108.800 0.121 0.000 2.433 365 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.216 365 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.216 365 G C 1.480 176.389 174.900 0.014 0.000 1.186 365 G CA 0.308 45.467 45.100 0.099 0.000 0.779 365 G HN 0.240 nan 8.290 nan 0.000 0.543 366 Q N 0.759 120.540 119.800 -0.030 0.000 2.002 366 Q HA -0.098 4.242 4.340 -0.001 0.000 0.204 366 Q C 3.013 178.876 176.000 -0.228 0.000 0.988 366 Q CA 1.664 57.405 55.803 -0.104 0.000 0.843 366 Q CB -1.207 27.485 28.738 -0.076 0.000 0.908 366 Q HN 0.421 nan 8.270 nan 0.000 0.420 367 A N 1.012 123.674 122.820 -0.263 0.000 1.986 367 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 367 A C 2.361 179.657 177.584 -0.481 0.000 1.171 367 A CA 1.928 53.637 52.037 -0.547 0.000 0.640 367 A CB -1.175 17.297 19.000 -0.880 0.000 0.811 367 A HN 0.488 nan 8.150 nan 0.000 0.451 368 G N -0.527 108.183 108.800 -0.150 0.000 2.448 368 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.219 368 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.219 368 G C 1.584 176.369 174.900 -0.191 0.000 1.127 368 G CA 1.571 46.605 45.100 -0.109 0.000 0.766 368 G HN 0.962 nan 8.290 nan 0.000 0.552 369 S N -0.797 114.759 115.700 -0.240 0.000 2.539 369 S HA 0.669 5.139 4.470 -0.001 0.000 0.221 369 S C 0.992 175.380 174.600 -0.354 0.000 0.987 369 S CA 0.292 58.352 58.200 -0.234 0.000 0.929 369 S CB 0.530 63.635 63.200 -0.158 0.000 0.832 369 S HN 0.510 nan 8.310 nan 0.000 0.492 370 A N 3.371 125.828 122.820 -0.606 0.000 2.351 370 A HA 0.572 4.891 4.320 -0.001 0.000 0.257 370 A C -0.627 176.484 177.584 -0.789 0.000 1.087 370 A CA -1.568 49.934 52.037 -0.893 0.000 0.798 370 A CB 0.152 18.081 19.000 -1.785 0.000 1.033 370 A HN 0.259 nan 8.150 nan 0.000 0.488 371 P HA -0.162 nan 4.420 nan 0.000 0.217 371 P C 0.734 177.923 177.300 -0.185 0.000 1.148 371 P CA 1.648 64.560 63.100 -0.313 0.000 0.834 371 P CB -0.132 31.466 31.700 -0.169 0.000 0.783 372 W N -1.787 119.514 121.300 0.002 0.000 3.305 372 W HA 0.648 5.308 4.660 -0.001 0.000 0.392 372 W C 1.221 177.793 176.519 0.088 0.000 1.121 372 W CA -0.104 57.271 57.345 0.049 0.000 1.909 372 W CB -1.264 28.236 29.460 0.067 0.000 1.065 372 W HN -0.104 nan 8.180 nan 0.000 0.714 373 A N 1.680 124.519 122.820 0.031 0.000 1.927 373 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 373 A C 2.244 180.016 177.584 0.313 0.000 1.185 373 A CA 1.954 54.059 52.037 0.113 0.000 0.639 373 A CB -0.504 18.448 19.000 -0.080 0.000 0.820 373 A HN 0.215 nan 8.150 nan 0.000 0.451 374 Q N -0.483 119.443 119.800 0.210 0.000 1.942 374 Q HA -0.142 4.197 4.340 -0.001 0.000 0.203 374 Q C 2.491 178.633 176.000 0.237 0.000 0.987 374 Q CA 2.466 58.378 55.803 0.183 0.000 0.844 374 Q CB -1.675 27.133 28.738 0.117 0.000 0.911 374 Q HN 0.852 nan 8.270 nan 0.000 0.423 375 T N -0.957 113.751 114.554 0.257 0.000 2.760 375 T HA -0.198 4.151 4.350 -0.001 0.000 0.269 375 T C 1.510 176.381 174.700 0.284 0.000 1.047 375 T CA 1.460 63.702 62.100 0.237 0.000 1.139 375 T CB -0.583 68.424 68.868 0.233 0.000 0.855 375 T HN 0.522 nan 8.240 nan 0.000 0.471 376 W N 2.926 124.354 121.300 0.213 0.000 2.381 376 W HA -0.170 4.489 4.660 -0.002 0.000 0.321 376 W C 2.405 179.019 176.519 0.158 0.000 1.196 376 W CA 1.926 59.398 57.345 0.211 0.000 1.304 376 W CB -0.923 28.796 29.460 0.431 0.000 1.166 376 W HN 0.490 nan 8.180 nan 0.000 0.473 377 S N 1.397 117.188 115.700 0.151 0.000 2.419 377 S HA -0.088 4.382 4.470 -0.001 0.000 0.233 377 S C 2.015 176.586 174.600 -0.050 0.000 1.016 377 S CA 1.288 59.470 58.200 -0.031 0.000 0.974 377 S CB -0.938 62.326 63.200 0.107 0.000 0.786 377 S HN 0.322 nan 8.310 nan 0.000 0.492 378 A N 1.752 124.580 122.820 0.015 0.000 2.168 378 A HA 0.107 4.426 4.320 -0.001 0.000 0.215 378 A C 2.356 179.920 177.584 -0.034 0.000 1.152 378 A CA 1.249 53.292 52.037 0.010 0.000 0.716 378 A CB -0.754 18.279 19.000 0.056 0.000 0.794 378 A HN 0.769 nan 8.150 nan 0.000 0.465 379 S N -0.630 115.016 115.700 -0.091 0.000 2.458 379 S HA 0.234 4.704 4.470 -0.001 0.000 0.223 379 S C 0.658 175.122 174.600 -0.227 0.000 1.019 379 S CA -0.327 57.796 58.200 -0.129 0.000 0.937 379 S CB -0.598 62.530 63.200 -0.120 0.000 0.788 379 S HN 0.363 nan 8.310 nan 0.000 0.511 380 L N 2.599 123.658 121.223 -0.274 0.000 2.485 380 L HA 0.280 4.620 4.340 -0.001 0.000 0.275 380 L C -2.460 174.292 176.870 -0.196 0.000 1.207 380 L CA -1.785 52.887 54.840 -0.281 0.000 0.855 380 L CB -0.128 41.772 42.059 -0.265 0.000 1.114 380 L HN 0.058 nan 8.230 nan 0.000 0.485 381 P HA 0.090 nan 4.420 nan 0.000 0.271 381 P C -0.932 176.310 177.300 -0.097 0.000 1.216 381 P CA -0.218 62.783 63.100 -0.164 0.000 0.776 381 P CB 0.900 32.496 31.700 -0.174 0.000 0.881 382 V N 2.465 122.336 119.914 -0.072 0.000 2.427 382 V HA 0.506 4.625 4.120 -0.001 0.000 0.286 382 V C 0.520 176.594 176.094 -0.033 0.000 1.034 382 V CA -1.083 61.193 62.300 -0.039 0.000 0.893 382 V CB 1.105 32.912 31.823 -0.026 0.000 0.982 382 V HN 0.639 nan 8.190 nan 0.000 0.452 383 A N 3.538 126.343 122.820 -0.025 0.000 2.548 383 A HA 0.485 4.805 4.320 -0.001 0.000 0.247 383 A C 1.375 178.944 177.584 -0.025 0.000 1.067 383 A CA 0.610 52.632 52.037 -0.026 0.000 0.757 383 A CB -0.692 18.291 19.000 -0.029 0.000 0.996 383 A HN 2.303 nan 8.150 nan 0.000 0.504 384 G N 2.171 110.959 108.800 -0.020 0.000 2.338 384 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.296 384 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.296 384 G C -0.241 174.655 174.900 -0.006 0.000 1.040 384 G CA 0.384 45.476 45.100 -0.013 0.000 1.004 384 G HN 0.808 nan 8.290 nan 0.000 0.509 385 E N 0.136 120.335 120.200 -0.002 0.000 2.145 385 E HA 0.426 4.776 4.350 -0.001 0.000 0.262 385 E C 1.184 177.797 176.600 0.023 0.000 0.883 385 E CA -0.209 56.196 56.400 0.010 0.000 0.748 385 E CB 1.346 31.050 29.700 0.007 0.000 1.140 385 E HN 0.120 nan 8.360 nan 0.000 0.417 386 S N 1.827 117.544 115.700 0.028 0.000 2.369 386 S HA -0.219 4.250 4.470 -0.001 0.000 0.225 386 S C 0.828 175.466 174.600 0.063 0.000 1.043 386 S CA 1.390 59.613 58.200 0.039 0.000 1.074 386 S CB -0.177 63.044 63.200 0.035 0.000 0.962 386 S HN 0.596 nan 8.310 nan 0.000 0.433 387 D N 2.186 122.630 120.400 0.074 0.000 2.479 387 D HA 0.046 4.685 4.640 -0.001 0.000 0.257 387 D C -1.685 174.705 176.300 0.151 0.000 1.230 387 D CA -1.457 52.614 54.000 0.118 0.000 0.912 387 D CB 0.753 41.623 40.800 0.116 0.000 1.130 387 D HN 0.010 nan 8.370 nan 0.000 0.515 388 P HA -0.185 nan 4.420 nan 0.000 0.216 388 P C 0.889 178.290 177.300 0.168 0.000 1.157 388 P CA 1.144 64.389 63.100 0.242 0.000 0.880 388 P CB -0.040 31.833 31.700 0.287 0.000 0.791 389 F N -2.040 118.016 119.950 0.177 0.000 2.805 389 F HA -0.036 4.491 4.527 -0.001 0.000 0.301 389 F C 1.774 177.543 175.800 -0.052 0.000 1.196 389 F CA 0.630 58.659 58.000 0.047 0.000 1.439 389 F CB -0.327 38.741 39.000 0.113 0.000 1.117 389 F HN -0.194 nan 8.300 nan 0.000 0.581 390 V N -2.157 117.800 119.914 0.073 0.000 3.137 390 V HA 0.185 4.304 4.120 -0.001 0.000 0.236 390 V C 2.335 178.403 176.094 -0.043 0.000 1.260 390 V CA 1.040 63.351 62.300 0.018 0.000 1.244 390 V CB -0.426 31.427 31.823 0.051 0.000 1.016 390 V HN 0.222 nan 8.190 nan 0.000 0.477 391 G N -0.047 108.739 108.800 -0.023 0.000 2.403 391 G HA2 0.313 4.272 3.960 -0.001 0.000 0.216 391 G HA3 0.313 4.272 3.960 -0.001 0.000 0.216 391 G C 1.156 176.001 174.900 -0.091 0.000 1.154 391 G CA 1.256 46.334 45.100 -0.037 0.000 0.784 391 G HN 0.953 nan 8.290 nan 0.000 0.538 392 G N -0.266 108.447 108.800 -0.146 0.000 2.574 392 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.286 392 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.286 392 G C 1.197 176.065 174.900 -0.053 0.000 1.212 392 G CA 1.817 46.764 45.100 -0.254 0.000 0.979 392 G HN 1.299 nan 8.290 nan 0.000 0.557 393 T N -0.598 113.913 114.554 -0.071 0.000 3.317 393 T HA 0.516 4.866 4.350 -0.001 0.000 0.250 393 T C 1.594 176.272 174.700 -0.038 0.000 1.106 393 T CA 1.234 63.319 62.100 -0.025 0.000 0.986 393 T CB -0.078 68.765 68.868 -0.041 0.000 1.010 393 T HN 0.581 nan 8.240 nan 0.000 0.560 394 L N -0.748 120.448 121.223 -0.044 0.000 3.086 394 L HA 0.483 4.823 4.340 -0.001 0.000 0.274 394 L C 2.525 179.381 176.870 -0.023 0.000 1.184 394 L CA 0.105 54.923 54.840 -0.036 0.000 1.002 394 L CB -0.123 41.910 42.059 -0.044 0.000 1.383 394 L HN 0.323 nan 8.230 nan 0.000 0.582 395 A N 0.805 123.618 122.820 -0.012 0.000 1.948 395 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 395 A C 1.307 178.890 177.584 -0.000 0.000 1.177 395 A CA 1.617 53.655 52.037 0.001 0.000 0.636 395 A CB -0.320 18.694 19.000 0.023 0.000 0.815 395 A HN 0.483 nan 8.150 nan 0.000 0.449 396 N N 0.260 118.958 118.700 -0.003 0.000 2.558 396 N HA 0.216 4.955 4.740 -0.001 0.000 0.281 396 N C -0.501 175.001 175.510 -0.013 0.000 1.219 396 N CA 0.138 53.184 53.050 -0.006 0.000 0.942 396 N CB 0.403 38.887 38.487 -0.005 0.000 1.241 396 N HN 0.443 nan 8.380 nan 0.000 0.511 397 R N -0.265 120.225 120.500 -0.017 0.000 2.651 397 R HA 0.372 4.711 4.340 -0.001 0.000 0.278 397 R C 0.331 176.616 176.300 -0.025 0.000 1.010 397 R CA -0.625 55.462 56.100 -0.023 0.000 0.896 397 R CB 1.692 31.977 30.300 -0.026 0.000 1.211 397 R HN 0.034 nan 8.270 nan 0.000 0.456 398 M N 0.203 119.786 119.600 -0.029 0.000 2.818 398 M HA -0.284 4.195 4.480 -0.001 0.000 0.194 398 M C -0.315 175.969 176.300 -0.027 0.000 0.586 398 M CA 1.159 56.439 55.300 -0.033 0.000 0.664 398 M CB -1.325 31.250 32.600 -0.042 0.000 2.418 398 M HN 0.544 nan 8.290 nan 0.000 0.517 399 R N 0.827 121.315 120.500 -0.020 0.000 2.679 399 R HA 0.301 4.640 4.340 -0.001 0.000 0.268 399 R C 1.398 177.691 176.300 -0.013 0.000 1.044 399 R CA 0.974 57.065 56.100 -0.014 0.000 1.105 399 R CB 0.189 30.484 30.300 -0.009 0.000 0.989 399 R HN 0.502 nan 8.270 nan 0.000 0.447 400 G N 1.300 110.094 108.800 -0.010 0.000 2.249 400 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.273 400 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.273 400 G C 0.157 175.052 174.900 -0.008 0.000 1.036 400 G CA 0.895 45.991 45.100 -0.006 0.000 0.824 400 G HN 0.789 nan 8.290 nan 0.000 0.504 401 T N -5.122 109.424 114.554 -0.014 0.000 2.831 401 T HA 0.814 5.163 4.350 -0.001 0.000 0.287 401 T C 1.459 176.150 174.700 -0.015 0.000 1.070 401 T CA 0.353 62.444 62.100 -0.015 0.000 1.010 401 T CB 1.489 70.341 68.868 -0.026 0.000 1.264 401 T HN 1.361 nan 8.240 nan 0.000 0.532 402 A N -0.003 122.812 122.820 -0.007 0.000 2.125 402 A HA 0.340 4.660 4.320 -0.001 0.000 0.219 402 A C 2.315 179.858 177.584 -0.069 0.000 1.156 402 A CA 1.633 53.676 52.037 0.009 0.000 0.671 402 A CB -1.325 17.704 19.000 0.048 0.000 0.794 402 A HN 1.263 nan 8.150 nan 0.000 0.459 403 A N -0.627 122.146 122.820 -0.078 0.000 2.132 403 A HA 0.135 4.454 4.320 -0.001 0.000 0.213 403 A C 0.972 178.495 177.584 -0.101 0.000 1.154 403 A CA 0.234 52.205 52.037 -0.111 0.000 0.753 403 A CB -0.274 18.673 19.000 -0.088 0.000 0.826 403 A HN 0.567 nan 8.150 nan 0.000 0.469 404 E N 0.163 120.321 120.200 -0.070 0.000 2.694 404 E HA 0.202 4.551 4.350 -0.001 0.000 0.250 404 E C 1.177 177.741 176.600 -0.061 0.000 0.963 404 E CA 0.593 56.964 56.400 -0.050 0.000 0.949 404 E CB -0.139 29.545 29.700 -0.028 0.000 0.911 404 E HN 0.683 nan 8.360 nan 0.000 0.500 405 G N 2.787 111.559 108.800 -0.046 0.000 2.187 405 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.261 405 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.261 405 G C 0.578 175.438 174.900 -0.067 0.000 1.000 405 G CA 0.462 45.539 45.100 -0.039 0.000 0.718 405 G HN 0.465 nan 8.290 nan 0.000 0.519 406 V N -1.148 118.698 119.914 -0.114 0.000 3.058 406 V HA 0.196 4.316 4.120 -0.001 0.000 0.233 406 V C 1.529 177.578 176.094 -0.075 0.000 1.255 406 V CA 0.791 62.983 62.300 -0.180 0.000 1.267 406 V CB 0.707 32.239 31.823 -0.485 0.000 1.049 406 V HN 0.187 nan 8.190 nan 0.000 0.486 407 V N 2.249 122.135 119.914 -0.047 0.000 2.508 407 V HA 0.188 4.307 4.120 -0.001 0.000 0.281 407 V C -0.064 176.071 176.094 0.069 0.000 1.041 407 V CA 0.131 62.459 62.300 0.047 0.000 1.016 407 V CB 0.652 32.495 31.823 0.032 0.000 0.984 407 V HN 0.494 nan 8.190 nan 0.000 0.478 408 E N 3.765 124.041 120.200 0.126 0.000 2.114 408 E HA 0.732 5.081 4.350 -0.001 0.000 0.266 408 E C -0.397 176.221 176.600 0.029 0.000 0.896 408 E CA -0.279 56.164 56.400 0.072 0.000 0.750 408 E CB 1.837 31.613 29.700 0.126 0.000 1.121 408 E HN 0.845 nan 8.360 nan 0.000 0.413 409 A N 2.977 125.766 122.820 -0.051 0.000 2.604 409 A HA 0.550 4.869 4.320 -0.001 0.000 0.295 409 A C -1.446 176.033 177.584 -0.176 0.000 1.067 409 A CA -0.887 51.063 52.037 -0.145 0.000 0.683 409 A CB 1.561 20.546 19.000 -0.024 0.000 1.281 409 A HN 0.359 nan 8.150 nan 0.000 0.407 410 K N 1.129 121.387 120.400 -0.237 0.000 2.211 410 K HA 0.604 4.924 4.320 -0.001 0.000 0.275 410 K C 0.576 177.086 176.600 -0.150 0.000 1.024 410 K CA 0.476 56.633 56.287 -0.218 0.000 0.887 410 K CB 0.795 33.140 32.500 -0.257 0.000 1.084 410 K HN 0.936 nan 8.250 nan 0.000 0.463 411 T N 0.021 114.501 114.554 -0.124 0.000 2.852 411 T HA 0.798 5.147 4.350 -0.001 0.000 0.281 411 T C 0.209 174.860 174.700 -0.082 0.000 0.993 411 T CA -0.513 61.537 62.100 -0.085 0.000 0.933 411 T CB 1.296 70.120 68.868 -0.074 0.000 1.187 411 T HN 0.624 nan 8.240 nan 0.000 0.559 412 G N 0.068 108.828 108.800 -0.066 0.000 1.843 412 G HA2 0.463 4.422 3.960 -0.001 0.000 0.278 412 G HA3 0.463 4.422 3.960 -0.001 0.000 0.278 412 G C -0.979 173.887 174.900 -0.055 0.000 1.708 412 G CA -0.727 44.334 45.100 -0.064 0.000 0.918 412 G HN 0.828 nan 8.290 nan 0.000 0.661 413 T N 2.775 117.283 114.554 -0.076 0.000 2.952 413 T HA 0.783 5.133 4.350 -0.001 0.000 0.305 413 T C 0.059 174.699 174.700 -0.100 0.000 1.064 413 T CA -0.429 61.634 62.100 -0.061 0.000 1.008 413 T CB 1.698 70.535 68.868 -0.051 0.000 1.078 413 T HN 0.569 nan 8.240 nan 0.000 0.459 414 M N 0.563 120.123 119.600 -0.067 0.000 2.779 414 M HA 0.450 4.929 4.480 -0.001 0.000 0.277 414 M C -0.230 176.054 176.300 -0.027 0.000 1.284 414 M CA -1.009 54.230 55.300 -0.101 0.000 0.801 414 M CB 2.190 34.700 32.600 -0.149 0.000 1.712 414 M HN 0.398 nan 8.290 nan 0.000 0.453 415 S N 0.965 116.658 115.700 -0.013 0.000 2.546 415 S HA 0.279 4.749 4.470 -0.001 0.000 0.290 415 S C 0.908 175.483 174.600 -0.041 0.000 1.262 415 S CA 1.131 59.341 58.200 0.017 0.000 1.083 415 S CB -0.012 63.240 63.200 0.086 0.000 0.859 415 S HN 1.032 nan 8.310 nan 0.000 0.495 416 G N 2.192 110.902 108.800 -0.149 0.000 2.189 416 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.267 416 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.267 416 G C 0.029 174.712 174.900 -0.361 0.000 0.975 416 G CA 0.297 45.102 45.100 -0.492 0.000 0.644 416 G HN 0.778 nan 8.290 nan 0.000 0.537 417 V N -0.401 119.514 119.914 0.001 0.000 2.709 417 V HA 0.868 4.987 4.120 -0.001 0.000 0.308 417 V C -0.051 176.148 176.094 0.174 0.000 1.062 417 V CA -0.075 62.296 62.300 0.118 0.000 0.901 417 V CB 2.041 33.872 31.823 0.013 0.000 1.003 417 V HN 0.638 nan 8.190 nan 0.000 0.425 418 S N 1.955 117.749 115.700 0.156 0.000 2.537 418 S HA 0.911 5.381 4.470 -0.001 0.000 0.271 418 S C -1.140 173.471 174.600 0.018 0.000 1.148 418 S CA 0.241 58.466 58.200 0.041 0.000 0.868 418 S CB 1.820 64.992 63.200 -0.046 0.000 1.115 418 S HN 1.551 nan 8.310 nan 0.000 0.461 419 A N 2.168 124.986 122.820 -0.004 0.000 2.574 419 A HA 0.836 5.156 4.320 -0.001 0.000 0.297 419 A C -2.120 175.459 177.584 -0.008 0.000 1.062 419 A CA -0.528 51.510 52.037 0.002 0.000 0.686 419 A CB 1.685 20.689 19.000 0.006 0.000 1.285 419 A HN 1.067 nan 8.150 nan 0.000 0.403 420 L N 1.326 122.558 121.223 0.016 0.000 2.504 420 L HA 0.724 5.064 4.340 -0.001 0.000 0.265 420 L C -0.995 175.858 176.870 -0.028 0.000 0.975 420 L CA 0.275 55.141 54.840 0.042 0.000 0.864 420 L CB 1.775 43.923 42.059 0.148 0.000 1.212 420 L HN 0.611 nan 8.230 nan 0.000 0.416 421 S N 2.707 118.234 115.700 -0.289 0.000 2.538 421 S HA 1.020 5.489 4.470 -0.001 0.000 0.288 421 S C -0.069 173.990 174.600 -0.902 0.000 1.108 421 S CA -0.096 57.693 58.200 -0.685 0.000 0.971 421 S CB 1.823 64.795 63.200 -0.379 0.000 1.041 421 S HN 1.062 nan 8.310 nan 0.000 0.483 422 G N 1.255 109.154 108.800 -1.502 0.000 2.393 422 G HA2 0.499 4.458 3.960 -0.001 0.000 0.264 422 G HA3 0.499 4.458 3.960 -0.001 0.000 0.264 422 G C -2.403 172.050 174.900 -0.745 0.000 1.221 422 G CA -0.519 44.005 45.100 -0.961 0.000 0.912 422 G HN 0.468 nan 8.290 nan 0.000 0.483 423 Y N -1.171 119.141 120.300 0.020 0.000 2.524 423 Y HA 0.659 5.208 4.550 -0.001 0.000 0.344 423 Y C 0.038 176.095 175.900 0.262 0.000 1.012 423 Y CA -0.951 57.250 58.100 0.167 0.000 1.068 423 Y CB 2.714 41.239 38.460 0.108 0.000 1.249 423 Y HN 0.281 nan 8.280 nan 0.000 0.468 424 V N 3.815 123.975 119.914 0.411 0.000 2.383 424 V HA 0.263 4.383 4.120 -0.001 0.000 0.264 424 V C -2.513 173.711 176.094 0.218 0.000 1.001 424 V CA -1.785 60.666 62.300 0.251 0.000 0.828 424 V CB 0.715 32.648 31.823 0.183 0.000 1.069 424 V HN 0.548 nan 8.190 nan 0.000 0.451 425 P HA 0.394 nan 4.420 nan 0.000 0.267 425 P C 0.136 177.591 177.300 0.258 0.000 1.205 425 P CA 0.763 63.962 63.100 0.166 0.000 0.765 425 P CB 1.772 33.540 31.700 0.114 0.000 0.828 426 G N 3.443 112.356 108.800 0.189 0.000 2.601 426 G HA2 0.405 4.365 3.960 -0.001 0.000 0.291 426 G HA3 0.405 4.365 3.960 -0.001 0.000 0.291 426 G C -2.498 172.409 174.900 0.012 0.000 1.456 426 G CA -0.889 44.294 45.100 0.139 0.000 0.804 426 G HN 0.133 nan 8.290 nan 0.000 0.499 427 P HA -0.010 nan 4.420 nan 0.000 0.221 427 P C 0.644 177.905 177.300 -0.065 0.000 1.150 427 P CA 0.943 64.001 63.100 -0.072 0.000 0.800 427 P CB 0.471 32.104 31.700 -0.111 0.000 0.787 428 E N 0.324 120.473 120.200 -0.086 0.000 2.403 428 E HA 0.324 4.674 4.350 -0.001 0.000 0.187 428 E C 0.999 177.571 176.600 -0.047 0.000 1.073 428 E CA 0.139 56.475 56.400 -0.107 0.000 0.888 428 E CB -0.401 29.173 29.700 -0.211 0.000 1.035 428 E HN 0.301 nan 8.360 nan 0.000 0.471 429 G N 1.738 110.544 108.800 0.009 0.000 2.627 429 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.680 429 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.680 429 G C -1.087 173.875 174.900 0.102 0.000 1.341 429 G CA -0.960 44.177 45.100 0.061 0.000 0.835 429 G HN 0.067 nan 8.290 nan 0.000 0.643 430 E N 0.793 121.053 120.200 0.100 0.000 2.180 430 E HA 0.572 4.922 4.350 -0.001 0.000 0.283 430 E C -0.200 176.503 176.600 0.172 0.000 1.061 430 E CA -0.470 56.002 56.400 0.121 0.000 0.861 430 E CB 0.697 30.442 29.700 0.075 0.000 1.056 430 E HN 0.448 nan 8.360 nan 0.000 0.407 431 L N 3.702 125.061 121.223 0.225 0.000 2.325 431 L HA 0.743 5.082 4.340 -0.001 0.000 0.278 431 L C -0.357 176.727 176.870 0.357 0.000 1.023 431 L CA -0.586 54.413 54.840 0.265 0.000 0.811 431 L CB 1.786 43.996 42.059 0.252 0.000 1.249 431 L HN 0.706 nan 8.230 nan 0.000 0.431 432 A N 3.036 126.039 122.820 0.304 0.000 2.355 432 A HA 0.879 5.198 4.320 -0.001 0.000 0.317 432 A C -1.105 176.599 177.584 0.200 0.000 1.094 432 A CA -0.394 51.772 52.037 0.214 0.000 0.764 432 A CB 0.941 20.044 19.000 0.172 0.000 1.230 432 A HN 0.583 nan 8.150 nan 0.000 0.448 433 F N 0.116 120.046 119.950 -0.034 0.000 2.664 433 F HA 0.886 5.413 4.527 -0.001 0.000 0.317 433 F C -0.494 175.277 175.800 -0.048 0.000 1.108 433 F CA -0.843 57.142 58.000 -0.025 0.000 0.957 433 F CB 1.581 40.565 39.000 -0.027 0.000 1.365 433 F HN 0.600 nan 8.300 nan 0.000 0.475 434 S N 1.549 117.284 115.700 0.057 0.000 2.566 434 S HA 0.772 5.241 4.470 -0.001 0.000 0.273 434 S C -1.676 173.000 174.600 0.126 0.000 1.157 434 S CA -0.530 57.651 58.200 -0.030 0.000 0.938 434 S CB 0.922 64.106 63.200 -0.028 0.000 1.087 434 S HN 0.713 nan 8.310 nan 0.000 0.474 435 I N 4.344 124.981 120.570 0.111 0.000 2.500 435 I HA 0.482 4.652 4.170 -0.001 0.000 0.286 435 I C -1.137 175.015 176.117 0.059 0.000 1.063 435 I CA -0.867 60.495 61.300 0.104 0.000 1.062 435 I CB 2.081 40.156 38.000 0.124 0.000 1.223 435 I HN 0.339 nan 8.210 nan 0.000 0.435 436 V N 5.438 125.385 119.914 0.055 0.000 2.483 436 V HA 0.461 4.581 4.120 -0.001 0.000 0.297 436 V C -0.516 175.613 176.094 0.058 0.000 1.027 436 V CA -0.704 61.626 62.300 0.050 0.000 0.855 436 V CB 1.741 33.595 31.823 0.051 0.000 0.995 436 V HN 0.646 nan 8.190 nan 0.000 0.424 437 N N 4.211 122.952 118.700 0.068 0.000 2.392 437 N HA 0.509 5.248 4.740 -0.001 0.000 0.283 437 N C -1.026 174.618 175.510 0.224 0.000 1.003 437 N CA -0.417 52.702 53.050 0.114 0.000 0.892 437 N CB 2.178 40.676 38.487 0.018 0.000 1.193 437 N HN 0.720 nan 8.380 nan 0.000 0.487 438 N N -0.151 118.657 118.700 0.181 0.000 2.260 438 N HA 0.482 5.222 4.740 -0.001 0.000 0.293 438 N C 0.377 175.910 175.510 0.039 0.000 1.058 438 N CA -0.508 52.593 53.050 0.086 0.000 0.824 438 N CB 2.438 40.947 38.487 0.037 0.000 1.551 438 N HN 0.671 nan 8.380 nan 0.000 0.475 439 G N 0.705 109.427 108.800 -0.130 0.000 2.339 439 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.209 439 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.209 439 G C 0.010 174.827 174.900 -0.139 0.000 1.015 439 G CA -0.252 44.786 45.100 -0.103 0.000 0.635 439 G HN 0.823 nan 8.290 nan 0.000 0.499 440 H N 1.414 120.488 119.070 0.007 0.000 3.016 440 H HA 0.459 5.015 4.556 0.000 0.000 0.345 440 H C 1.445 176.776 175.328 0.005 0.000 1.066 440 H CA 1.019 57.070 56.048 0.005 0.000 1.390 440 H CB 0.806 30.568 29.762 0.001 0.000 1.344 440 H HN 0.614 nan 8.280 nan 0.000 0.605 441 S N 1.215 116.946 115.700 0.050 0.000 2.506 441 S HA 0.201 4.670 4.470 -0.001 0.000 0.219 441 S C 1.280 175.907 174.600 0.045 0.000 1.031 441 S CA -0.052 58.151 58.200 0.005 0.000 0.911 441 S CB 0.165 63.367 63.200 0.004 0.000 0.812 441 S HN 0.843 nan 8.310 nan 0.000 0.497 442 G N 2.221 111.074 108.800 0.089 0.000 2.783 442 G HA2 0.572 4.531 3.960 -0.001 0.000 0.182 442 G HA3 0.572 4.531 3.960 -0.001 0.000 0.182 442 G C -2.459 172.502 174.900 0.103 0.000 1.516 442 G CA -1.134 44.009 45.100 0.071 0.000 1.079 442 G HN 0.363 nan 8.290 nan 0.000 0.573 443 P HA 0.421 nan 4.420 nan 0.000 0.277 443 P C -0.286 177.052 177.300 0.064 0.000 1.276 443 P CA -0.230 62.902 63.100 0.054 0.000 0.788 443 P CB 0.358 32.065 31.700 0.012 0.000 1.114 444 A N 1.912 124.743 122.820 0.018 0.000 2.477 444 A HA 0.276 4.596 4.320 -0.001 0.000 0.246 444 A C -1.706 175.778 177.584 -0.168 0.000 1.078 444 A CA -0.851 51.132 52.037 -0.090 0.000 0.770 444 A CB -0.959 18.013 19.000 -0.047 0.000 1.011 444 A HN 0.436 nan 8.150 nan 0.000 0.494 445 P HA 0.099 nan 4.420 nan 0.000 0.228 445 P C 0.653 177.870 177.300 -0.138 0.000 1.748 445 P CA 0.011 62.986 63.100 -0.209 0.000 0.909 445 P CB -0.121 31.416 31.700 -0.271 0.000 1.882 446 L N 0.174 121.335 121.223 -0.103 0.000 2.083 446 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 446 L C 2.554 179.385 176.870 -0.064 0.000 1.083 446 L CA 1.608 56.404 54.840 -0.073 0.000 0.752 446 L CB -1.103 40.922 42.059 -0.058 0.000 0.899 446 L HN 0.112 nan 8.230 nan 0.000 0.433 447 A N -0.111 122.672 122.820 -0.062 0.000 1.969 447 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 447 A C 2.345 179.891 177.584 -0.063 0.000 1.169 447 A CA 1.433 53.437 52.037 -0.055 0.000 0.635 447 A CB -0.615 18.357 19.000 -0.047 0.000 0.810 447 A HN 0.201 nan 8.150 nan 0.000 0.445 448 V N -0.003 119.868 119.914 -0.071 0.000 2.358 448 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 448 V C 2.594 178.638 176.094 -0.082 0.000 1.047 448 V CA 2.144 64.399 62.300 -0.075 0.000 1.035 448 V CB -0.940 30.836 31.823 -0.077 0.000 0.658 448 V HN 0.646 nan 8.190 nan 0.000 0.452 449 Q N -0.234 119.521 119.800 -0.075 0.000 2.084 449 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 449 Q C 2.030 177.979 176.000 -0.085 0.000 0.978 449 Q CA 1.793 57.559 55.803 -0.063 0.000 0.844 449 Q CB -0.277 28.441 28.738 -0.033 0.000 0.898 449 Q HN 0.614 nan 8.270 nan 0.000 0.426 450 D N 0.813 121.168 120.400 -0.076 0.000 2.084 450 D HA -0.129 4.511 4.640 -0.001 0.000 0.194 450 D C 1.876 178.114 176.300 -0.104 0.000 0.990 450 D CA 1.430 55.380 54.000 -0.082 0.000 0.826 450 D CB -0.449 40.314 40.800 -0.061 0.000 0.971 450 D HN 0.250 nan 8.370 nan 0.000 0.453 451 A N 0.808 123.573 122.820 -0.091 0.000 1.927 451 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 451 A C 2.373 179.881 177.584 -0.126 0.000 1.185 451 A CA 1.345 53.327 52.037 -0.093 0.000 0.639 451 A CB -0.852 18.101 19.000 -0.079 0.000 0.820 451 A HN 0.255 nan 8.150 nan 0.000 0.451 452 I N -0.854 119.620 120.570 -0.160 0.000 2.286 452 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 452 I C 2.967 178.905 176.117 -0.297 0.000 1.104 452 I CA 0.896 62.062 61.300 -0.223 0.000 1.397 452 I CB -0.419 37.438 38.000 -0.239 0.000 1.072 452 I HN 0.368 nan 8.210 nan 0.000 0.417 453 A N 0.562 123.183 122.820 -0.331 0.000 1.902 453 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 453 A C 2.394 179.828 177.584 -0.250 0.000 1.181 453 A CA 1.583 53.362 52.037 -0.429 0.000 0.623 453 A CB -0.876 17.921 19.000 -0.338 0.000 0.818 453 A HN 0.246 nan 8.150 nan 0.000 0.443 454 V N -0.201 119.616 119.914 -0.161 0.000 2.515 454 V HA -0.170 3.949 4.120 -0.001 0.000 0.250 454 V C 2.660 178.712 176.094 -0.071 0.000 1.058 454 V CA 1.842 64.084 62.300 -0.098 0.000 1.064 454 V CB -0.749 31.031 31.823 -0.071 0.000 0.675 454 V HN 0.482 nan 8.190 nan 0.000 0.461 455 R N -0.287 120.158 120.500 -0.091 0.000 2.115 455 R HA 0.008 4.348 4.340 -0.001 0.000 0.226 455 R C 2.172 178.460 176.300 -0.020 0.000 1.100 455 R CA 1.100 57.169 56.100 -0.052 0.000 0.980 455 R CB -0.310 29.941 30.300 -0.082 0.000 0.875 455 R HN 0.454 nan 8.270 nan 0.000 0.445 456 L N -0.262 120.907 121.223 -0.090 0.000 2.093 456 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 456 L C 2.591 179.501 176.870 0.065 0.000 1.085 456 L CA 1.191 56.006 54.840 -0.042 0.000 0.755 456 L CB -0.576 41.364 42.059 -0.198 0.000 0.904 456 L HN 0.141 nan 8.230 nan 0.000 0.435 457 A N 0.029 122.855 122.820 0.011 0.000 1.972 457 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 457 A C 2.143 179.828 177.584 0.168 0.000 1.169 457 A CA 1.534 53.615 52.037 0.074 0.000 0.635 457 A CB -0.330 18.649 19.000 -0.034 0.000 0.810 457 A HN 0.470 nan 8.150 nan 0.000 0.446 458 E N -1.775 118.492 120.200 0.111 0.000 2.072 458 E HA -0.171 4.179 4.350 -0.001 0.000 0.190 458 E C 1.854 178.515 176.600 0.101 0.000 0.982 458 E CA 1.239 57.700 56.400 0.101 0.000 0.803 458 E CB -0.318 29.423 29.700 0.067 0.000 0.755 458 E HN 0.768 nan 8.360 nan 0.000 0.453 459 Y N 1.236 121.545 120.300 0.016 0.000 2.333 459 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 459 Y C 2.038 177.955 175.900 0.028 0.000 1.144 459 Y CA 1.247 59.356 58.100 0.014 0.000 1.228 459 Y CB -0.048 38.416 38.460 0.006 0.000 0.985 459 Y HN -0.021 nan 8.280 nan 0.000 0.542 460 A N -0.591 122.298 122.820 0.115 0.000 2.238 460 A HA 0.364 4.683 4.320 -0.001 0.000 0.208 460 A C 1.563 179.119 177.584 -0.045 0.000 1.177 460 A CA 0.756 52.836 52.037 0.071 0.000 0.804 460 A CB -1.016 18.111 19.000 0.212 0.000 0.823 460 A HN 0.875 nan 8.150 nan 0.000 0.482 461 G N -0.588 108.166 108.800 -0.077 0.000 2.288 461 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.205 461 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.205 461 G C -0.389 174.332 174.900 -0.298 0.000 1.071 461 G CA -0.089 44.904 45.100 -0.178 0.000 0.788 461 G HN 0.613 nan 8.290 nan 0.000 0.491 462 H N -0.406 118.657 119.070 -0.012 0.000 2.622 462 H HA 0.612 5.167 4.556 -0.001 0.000 0.363 462 H C -0.107 175.217 175.328 -0.007 0.000 1.151 462 H CA -0.248 55.797 56.048 -0.006 0.000 1.184 462 H CB 2.073 31.837 29.762 0.002 0.000 1.643 462 H HN 0.394 nan 8.280 nan 0.000 0.531 463 Q N 0.402 120.271 119.800 0.114 0.000 2.348 463 Q HA 0.596 4.935 4.340 -0.001 0.000 0.271 463 Q C -0.458 175.577 176.000 0.058 0.000 1.067 463 Q CA -0.939 54.900 55.803 0.061 0.000 0.839 463 Q CB 2.401 31.155 28.738 0.028 0.000 1.354 463 Q HN 0.738 nan 8.270 nan 0.000 0.447 464 A N 2.673 125.513 122.820 0.034 0.000 2.445 464 A HA 0.442 4.762 4.320 -0.001 0.000 0.242 464 A C -1.968 175.628 177.584 0.020 0.000 1.075 464 A CA -0.802 51.248 52.037 0.021 0.000 0.777 464 A CB -0.555 18.451 19.000 0.010 0.000 1.013 464 A HN 0.545 nan 8.150 nan 0.000 0.493 465 P HA 0.276 nan 4.420 nan 0.000 0.274 465 P C -0.296 177.010 177.300 0.010 0.000 1.237 465 P CA -0.011 63.098 63.100 0.015 0.000 0.793 465 P CB 1.220 32.928 31.700 0.013 0.000 0.977 466 E N -0.273 119.932 120.200 0.009 0.000 2.441 466 E HA 0.333 4.682 4.350 -0.001 0.000 0.207 466 E C 0.756 177.359 176.600 0.006 0.000 0.803 466 E CA -0.051 56.353 56.400 0.006 0.000 1.240 466 E CB 0.766 30.469 29.700 0.006 0.000 1.233 466 E HN 0.688 nan 8.360 nan 0.000 0.590 467 G N 0.000 108.804 108.800 0.007 0.000 5.446 467 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 467 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925