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 1w8y_1_C DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.406 176.300 0.176 0.000 0.893 1 R CA 0.000 56.151 56.100 0.084 0.000 0.921 1 R CB 0.000 30.337 30.300 0.062 0.000 0.687 2 L N 2.204 123.528 121.223 0.168 0.000 2.590 2 L HA 0.185 4.526 4.340 0.002 0.000 0.227 2 L C 1.978 178.909 176.870 0.103 0.000 1.099 2 L CA 1.290 56.249 54.840 0.198 0.000 0.872 2 L CB 0.321 42.488 42.059 0.180 0.000 1.088 2 L HN 0.889 nan 8.230 nan 0.000 0.479 3 T N -3.483 111.119 114.554 0.080 0.000 2.915 3 T HA -0.230 4.121 4.350 0.002 0.000 0.269 3 T C 1.559 176.293 174.700 0.056 0.000 1.071 3 T CA 1.533 63.665 62.100 0.053 0.000 1.132 3 T CB -0.160 68.733 68.868 0.041 0.000 0.878 3 T HN 0.502 nan 8.240 nan 0.000 0.479 4 E N 0.319 120.561 120.200 0.071 0.000 2.076 4 E HA -0.032 4.319 4.350 0.002 0.000 0.190 4 E C 2.125 178.758 176.600 0.055 0.000 0.979 4 E CA 0.564 57.003 56.400 0.064 0.000 0.807 4 E CB -0.196 29.549 29.700 0.074 0.000 0.761 4 E HN 0.406 nan 8.360 nan 0.000 0.454 5 L N 1.590 122.846 121.223 0.055 0.000 2.129 5 L HA -0.194 4.147 4.340 0.002 0.000 0.212 5 L C 2.125 178.990 176.870 -0.009 0.000 1.087 5 L CA 1.687 56.500 54.840 -0.044 0.000 0.757 5 L CB -0.205 41.687 42.059 -0.279 0.000 0.896 5 L HN 0.046 nan 8.230 nan 0.000 0.434 6 R N -0.761 119.781 120.500 0.071 0.000 2.075 6 R HA -0.051 4.290 4.340 0.002 0.000 0.226 6 R C 2.075 178.465 176.300 0.150 0.000 1.114 6 R CA 1.297 57.514 56.100 0.195 0.000 0.972 6 R CB -0.316 30.061 30.300 0.128 0.000 0.869 6 R HN 0.500 nan 8.270 nan 0.000 0.437 7 E N 1.054 121.300 120.200 0.078 0.000 2.038 7 E HA -0.201 4.150 4.350 0.002 0.000 0.195 7 E C 1.481 178.101 176.600 0.034 0.000 1.000 7 E CA 1.445 57.878 56.400 0.054 0.000 0.803 7 E CB -0.122 29.599 29.700 0.036 0.000 0.750 7 E HN 0.334 nan 8.360 nan 0.000 0.448 8 D N 0.628 121.036 120.400 0.013 0.000 2.182 8 D HA -0.140 4.501 4.640 0.002 0.000 0.201 8 D C 1.980 178.247 176.300 -0.055 0.000 0.986 8 D CA 0.918 54.907 54.000 -0.018 0.000 0.847 8 D CB -0.120 40.667 40.800 -0.022 0.000 0.942 8 D HN 0.267 nan 8.370 nan 0.000 0.467 9 I N 1.084 121.608 120.570 -0.077 0.000 2.584 9 I HA -0.154 4.017 4.170 0.002 0.000 0.255 9 I C 1.714 177.759 176.117 -0.119 0.000 1.145 9 I CA 0.668 61.846 61.300 -0.203 0.000 1.462 9 I CB 0.004 37.691 38.000 -0.521 0.000 1.102 9 I HN -0.177 nan 8.210 nan 0.000 0.433 10 D N 1.501 121.921 120.400 0.033 0.000 2.117 10 D HA -0.120 4.521 4.640 0.002 0.000 0.198 10 D C 2.275 178.585 176.300 0.017 0.000 0.982 10 D CA 1.495 55.540 54.000 0.075 0.000 0.828 10 D CB -0.105 40.759 40.800 0.107 0.000 0.967 10 D HN 0.295 nan 8.370 nan 0.000 0.464 11 A N 0.940 123.762 122.820 0.004 0.000 1.933 11 A HA -0.116 4.205 4.320 0.002 0.000 0.218 11 A C 2.374 179.942 177.584 -0.026 0.000 1.175 11 A CA 0.790 52.822 52.037 -0.007 0.000 0.628 11 A CB -0.689 18.307 19.000 -0.007 0.000 0.814 11 A HN 0.168 nan 8.150 nan 0.000 0.444 12 I N -0.424 120.117 120.570 -0.049 0.000 2.252 12 I HA -0.209 3.962 4.170 0.002 0.000 0.245 12 I C 1.915 177.993 176.117 -0.065 0.000 1.102 12 I CA 0.992 62.251 61.300 -0.067 0.000 1.385 12 I CB -0.214 37.724 38.000 -0.103 0.000 1.064 12 I HN 0.250 nan 8.210 nan 0.000 0.414 13 L N 0.425 121.609 121.223 -0.065 0.000 2.622 13 L HA -0.070 4.271 4.340 0.002 0.000 0.233 13 L C 1.274 178.131 176.870 -0.022 0.000 1.156 13 L CA 0.433 55.245 54.840 -0.048 0.000 0.866 13 L CB -0.286 41.753 42.059 -0.033 0.000 0.980 13 L HN 0.187 nan 8.230 nan 0.000 0.448 14 E N 0.222 120.410 120.200 -0.019 0.000 2.311 14 E HA 0.038 4.389 4.350 0.002 0.000 0.198 14 E C -0.349 176.242 176.600 -0.014 0.000 1.115 14 E CA 0.007 56.402 56.400 -0.009 0.000 1.140 14 E CB -0.119 29.580 29.700 -0.003 0.000 1.204 14 E HN 0.315 nan 8.360 nan 0.000 0.446 15 D N 0.062 120.448 120.400 -0.023 0.000 2.341 15 D HA 0.062 4.703 4.640 0.002 0.000 0.245 15 D C -1.532 174.759 176.300 -0.016 0.000 1.106 15 D CA -1.809 52.176 54.000 -0.025 0.000 0.905 15 D CB 1.478 42.254 40.800 -0.040 0.000 1.202 15 D HN -0.156 nan 8.370 nan 0.000 0.426 16 P HA -0.076 nan 4.420 nan 0.000 0.218 16 P C 0.687 177.987 177.300 0.001 0.000 1.149 16 P CA 1.117 64.215 63.100 -0.004 0.000 0.817 16 P CB 0.101 31.799 31.700 -0.004 0.000 0.785 17 A N -0.795 122.020 122.820 -0.009 0.000 2.070 17 A HA -0.112 4.209 4.320 0.002 0.000 0.220 17 A C 1.852 179.438 177.584 0.003 0.000 1.159 17 A CA 1.203 53.236 52.037 -0.007 0.000 0.656 17 A CB -1.352 17.624 19.000 -0.039 0.000 0.800 17 A HN 0.188 nan 8.150 nan 0.000 0.453 18 L N -0.598 120.621 121.223 -0.006 0.000 2.667 18 L HA 0.159 4.500 4.340 0.002 0.000 0.232 18 L C 0.208 177.097 176.870 0.033 0.000 1.138 18 L CA -0.391 54.455 54.840 0.009 0.000 0.921 18 L CB -0.060 41.989 42.059 -0.016 0.000 1.180 18 L HN 0.200 nan 8.230 nan 0.000 0.487 19 E N 0.941 121.159 120.200 0.030 0.000 2.493 19 E HA 0.166 4.517 4.350 0.002 0.000 0.255 19 E C 1.198 177.820 176.600 0.036 0.000 0.999 19 E CA 1.123 57.539 56.400 0.028 0.000 0.934 19 E CB 0.263 29.976 29.700 0.022 0.000 0.940 19 E HN 0.331 nan 8.360 nan 0.000 0.473 20 G N 2.386 111.205 108.800 0.031 0.000 2.162 20 G HA2 -0.243 3.718 3.960 0.002 0.000 0.260 20 G HA3 -0.243 3.718 3.960 0.002 0.000 0.260 20 G C 0.293 175.217 174.900 0.040 0.000 0.976 20 G CA 0.207 45.325 45.100 0.030 0.000 0.655 20 G HN 0.797 nan 8.290 nan 0.000 0.533 21 A N -1.052 121.800 122.820 0.054 0.000 2.288 21 A HA 0.897 5.218 4.320 0.002 0.000 0.328 21 A C -0.065 177.554 177.584 0.058 0.000 1.123 21 A CA -0.151 51.931 52.037 0.074 0.000 0.861 21 A CB 1.908 20.986 19.000 0.130 0.000 1.272 21 A HN 1.137 nan 8.150 nan 0.000 0.490 22 V N 1.176 121.128 119.914 0.063 0.000 2.417 22 V HA 0.497 4.618 4.120 0.002 0.000 0.291 22 V C -0.150 175.976 176.094 0.055 0.000 1.024 22 V CA -0.335 61.996 62.300 0.051 0.000 0.861 22 V CB 1.362 33.211 31.823 0.043 0.000 0.985 22 V HN 0.766 nan 8.190 nan 0.000 0.436 23 S N 3.271 118.999 115.700 0.048 0.000 2.594 23 S HA 0.536 5.007 4.470 0.002 0.000 0.322 23 S C 0.441 175.075 174.600 0.057 0.000 1.085 23 S CA -0.533 57.693 58.200 0.043 0.000 1.116 23 S CB 1.466 64.680 63.200 0.024 0.000 0.979 23 S HN 1.024 nan 8.310 nan 0.000 0.465 24 G N 2.178 111.013 108.800 0.058 0.000 2.365 24 G HA2 0.495 4.456 3.960 0.002 0.000 0.293 24 G HA3 0.495 4.456 3.960 0.002 0.000 0.293 24 G C -0.590 174.360 174.900 0.084 0.000 1.128 24 G CA -0.247 44.896 45.100 0.071 0.000 0.971 24 G HN 0.576 nan 8.290 nan 0.000 0.422 25 V N 2.949 122.935 119.914 0.119 0.000 2.577 25 V HA 0.618 4.739 4.120 0.002 0.000 0.303 25 V C -0.453 175.771 176.094 0.217 0.000 1.042 25 V CA -0.671 61.710 62.300 0.136 0.000 0.872 25 V CB 1.898 33.768 31.823 0.079 0.000 0.998 25 V HN 0.560 nan 8.190 nan 0.000 0.423 26 V N 4.768 124.794 119.914 0.188 0.000 2.817 26 V HA 0.604 4.725 4.120 0.002 0.000 0.303 26 V C -0.861 175.349 176.094 0.193 0.000 1.151 26 V CA -0.561 61.858 62.300 0.198 0.000 0.929 26 V CB 2.341 34.244 31.823 0.133 0.000 1.030 26 V HN 0.603 nan 8.190 nan 0.000 0.427 27 V N 4.574 124.604 119.914 0.193 0.000 2.709 27 V HA 0.783 4.904 4.120 0.002 0.000 0.308 27 V C -0.702 175.475 176.094 0.137 0.000 1.062 27 V CA -0.591 61.811 62.300 0.171 0.000 0.901 27 V CB 2.182 34.070 31.823 0.108 0.000 1.003 27 V HN 0.631 nan 8.190 nan 0.000 0.425 28 V N 2.282 122.281 119.914 0.142 0.000 2.888 28 V HA 0.455 4.576 4.120 0.002 0.000 0.309 28 V C -0.988 175.190 176.094 0.139 0.000 1.114 28 V CA -0.665 61.708 62.300 0.122 0.000 0.940 28 V CB 2.419 34.305 31.823 0.105 0.000 1.021 28 V HN 0.901 nan 8.190 nan 0.000 0.426 29 D N 2.520 122.996 120.400 0.125 0.000 2.380 29 D HA 0.143 4.784 4.640 0.002 0.000 0.230 29 D C 1.142 177.506 176.300 0.107 0.000 1.154 29 D CA -0.002 54.077 54.000 0.131 0.000 0.859 29 D CB 1.735 42.612 40.800 0.127 0.000 1.045 29 D HN 0.791 nan 8.370 nan 0.000 0.495 30 T N 0.773 115.397 114.554 0.117 0.000 3.361 30 T HA 0.222 4.573 4.350 0.002 0.000 0.251 30 T C 1.204 175.940 174.700 0.060 0.000 1.131 30 T CA 0.279 62.434 62.100 0.091 0.000 1.001 30 T CB 0.264 69.201 68.868 0.114 0.000 1.003 30 T HN 0.257 nan 8.240 nan 0.000 0.558 31 A N 1.555 124.411 122.820 0.060 0.000 2.035 31 A HA 0.281 4.602 4.320 0.002 0.000 0.208 31 A C 2.294 179.899 177.584 0.034 0.000 1.206 31 A CA 0.795 52.856 52.037 0.040 0.000 0.773 31 A CB -0.072 18.953 19.000 0.042 0.000 0.878 31 A HN 0.628 nan 8.150 nan 0.000 0.469 32 T N -6.102 108.479 114.554 0.044 0.000 3.043 32 T HA 0.424 4.775 4.350 0.002 0.000 0.272 32 T C 1.396 176.120 174.700 0.040 0.000 0.990 32 T CA 1.109 63.232 62.100 0.038 0.000 0.897 32 T CB 0.392 69.285 68.868 0.042 0.000 1.111 32 T HN 1.637 nan 8.240 nan 0.000 0.529 33 G N 1.628 110.456 108.800 0.048 0.000 2.189 33 G HA2 -0.315 3.646 3.960 0.002 0.000 0.267 33 G HA3 -0.315 3.646 3.960 0.002 0.000 0.267 33 G C -0.083 174.848 174.900 0.051 0.000 0.975 33 G CA 0.481 45.608 45.100 0.046 0.000 0.644 33 G HN 0.849 nan 8.290 nan 0.000 0.537 34 E N 0.861 121.095 120.200 0.056 0.000 2.437 34 E HA 0.217 4.568 4.350 0.002 0.000 0.263 34 E C 0.033 176.671 176.600 0.064 0.000 1.030 34 E CA 0.051 56.485 56.400 0.057 0.000 0.934 34 E CB 0.191 29.931 29.700 0.067 0.000 0.943 34 E HN 0.491 nan 8.360 nan 0.000 0.444 35 E N 4.008 124.239 120.200 0.052 0.000 2.115 35 E HA 0.094 4.445 4.350 0.002 0.000 0.282 35 E C 0.587 177.218 176.600 0.051 0.000 0.987 35 E CA -0.210 56.221 56.400 0.052 0.000 0.797 35 E CB 0.945 30.663 29.700 0.030 0.000 1.086 35 E HN 0.547 nan 8.360 nan 0.000 0.397 36 L N 3.346 124.609 121.223 0.068 0.000 2.209 36 L HA 0.082 4.423 4.340 0.002 0.000 0.207 36 L C 0.174 177.100 176.870 0.092 0.000 1.094 36 L CA 0.609 55.477 54.840 0.047 0.000 0.790 36 L CB 0.209 42.266 42.059 -0.004 0.000 0.932 36 L HN 0.524 nan 8.230 nan 0.000 0.447 37 Y N -1.160 119.124 120.300 -0.028 0.000 2.521 37 Y HA 0.455 5.006 4.550 0.002 0.000 0.328 37 Y C -1.095 174.804 175.900 -0.001 0.000 1.151 37 Y CA -1.160 56.924 58.100 -0.027 0.000 1.054 37 Y CB 1.785 40.214 38.460 -0.052 0.000 1.338 37 Y HN -0.248 nan 8.280 nan 0.000 0.453 38 S N 5.423 120.944 115.700 -0.299 0.000 2.543 38 S HA 0.783 5.254 4.470 0.002 0.000 0.271 38 S C -1.978 172.530 174.600 -0.153 0.000 1.148 38 S CA -0.672 57.492 58.200 -0.059 0.000 0.914 38 S CB 1.220 64.388 63.200 -0.052 0.000 1.096 38 S HN 0.855 nan 8.310 nan 0.000 0.471 39 R N 3.018 123.570 120.500 0.085 0.000 2.522 39 R HA 0.270 4.611 4.340 0.002 0.000 0.273 39 R C -1.159 175.196 176.300 0.092 0.000 1.133 39 R CA -0.250 55.904 56.100 0.089 0.000 0.969 39 R CB 0.733 31.174 30.300 0.235 0.000 1.235 39 R HN 0.797 nan 8.270 nan 0.000 0.433 40 D N 2.713 123.145 120.400 0.053 0.000 2.860 40 D HA -0.180 4.461 4.640 0.002 0.000 0.229 40 D C 0.861 177.194 176.300 0.054 0.000 1.169 40 D CA 1.500 55.529 54.000 0.048 0.000 0.737 40 D CB -0.586 40.246 40.800 0.053 0.000 1.080 40 D HN 0.900 nan 8.370 nan 0.000 0.424 41 G N 0.147 108.981 108.800 0.056 0.000 2.509 41 G HA2 -0.006 3.955 3.960 0.002 0.000 0.218 41 G HA3 -0.006 3.955 3.960 0.002 0.000 0.218 41 G C 1.489 176.419 174.900 0.050 0.000 1.124 41 G CA 0.936 46.073 45.100 0.061 0.000 0.776 41 G HN 0.450 nan 8.290 nan 0.000 0.547 42 G N -0.620 108.203 108.800 0.038 0.000 3.126 42 G HA2 0.267 4.228 3.960 0.002 0.000 0.224 42 G HA3 0.267 4.228 3.960 0.002 0.000 0.224 42 G C 0.282 175.198 174.900 0.027 0.000 1.142 42 G CA -0.251 44.868 45.100 0.031 0.000 0.759 42 G HN 0.309 nan 8.290 nan 0.000 0.550 43 E N 1.167 121.385 120.200 0.030 0.000 2.360 43 E HA 0.233 4.584 4.350 0.002 0.000 0.269 43 E C 0.241 176.854 176.600 0.022 0.000 1.022 43 E CA -0.003 56.412 56.400 0.025 0.000 0.887 43 E CB 0.451 30.168 29.700 0.029 0.000 0.990 43 E HN 0.284 nan 8.360 nan 0.000 0.426 44 Q N 3.340 123.147 119.800 0.013 0.000 2.295 44 Q HA 0.352 4.693 4.340 0.002 0.000 0.259 44 Q C -0.428 175.576 176.000 0.005 0.000 0.976 44 Q CA -0.007 55.798 55.803 0.003 0.000 0.923 44 Q CB 0.712 29.446 28.738 -0.007 0.000 1.185 44 Q HN 0.403 nan 8.270 nan 0.000 0.410 45 L N 1.319 122.545 121.223 0.005 0.000 2.303 45 L HA 0.489 4.830 4.340 0.002 0.000 0.256 45 L C -0.664 176.205 176.870 -0.002 0.000 1.034 45 L CA -1.323 53.522 54.840 0.009 0.000 0.832 45 L CB 1.276 43.351 42.059 0.026 0.000 1.403 45 L HN 0.363 nan 8.230 nan 0.000 0.419 46 L N 3.297 124.519 121.223 -0.001 0.000 2.361 46 L HA 0.172 4.513 4.340 0.002 0.000 0.278 46 L C -1.320 175.550 176.870 -0.000 0.000 1.113 46 L CA -0.950 53.882 54.840 -0.013 0.000 0.849 46 L CB 0.856 42.903 42.059 -0.020 0.000 1.155 46 L HN 0.405 nan 8.230 nan 0.000 0.452 47 P HA -0.044 nan 4.420 nan 0.000 0.221 47 P C 0.646 177.954 177.300 0.015 0.000 1.155 47 P CA 1.178 64.292 63.100 0.024 0.000 0.812 47 P CB 0.759 32.479 31.700 0.032 0.000 0.801 48 A N 0.048 122.863 122.820 -0.008 0.000 5.823 48 A HA -0.226 4.095 4.320 0.002 0.000 0.273 48 A C 1.678 179.259 177.584 -0.006 0.000 2.094 48 A CA 1.114 53.134 52.037 -0.030 0.000 0.713 48 A CB -2.451 16.526 19.000 -0.039 0.000 1.132 48 A HN 0.165 nan 8.150 nan 0.000 0.363 49 S N 0.431 116.116 115.700 -0.025 0.000 2.488 49 S HA -0.144 4.327 4.470 0.002 0.000 0.246 49 S C 1.383 175.985 174.600 0.003 0.000 0.992 49 S CA 1.545 59.738 58.200 -0.012 0.000 0.963 49 S CB -0.696 62.474 63.200 -0.050 0.000 0.754 49 S HN 0.656 nan 8.310 nan 0.000 0.519 50 N N 0.963 119.675 118.700 0.019 0.000 2.520 50 N HA 0.028 4.769 4.740 0.002 0.000 0.185 50 N C 1.372 176.990 175.510 0.179 0.000 1.068 50 N CA 0.365 53.444 53.050 0.050 0.000 0.911 50 N CB -0.227 38.295 38.487 0.058 0.000 0.961 50 N HN 0.287 nan 8.380 nan 0.000 0.446 51 M N 0.670 120.376 119.600 0.178 0.000 2.296 51 M HA -0.008 4.473 4.480 0.002 0.000 0.265 51 M C 1.263 177.757 176.300 0.324 0.000 1.064 51 M CA 1.404 56.866 55.300 0.270 0.000 1.109 51 M CB 0.024 32.709 32.600 0.141 0.000 1.396 51 M HN -0.084 nan 8.290 nan 0.000 0.430 52 K N -0.237 120.277 120.400 0.190 0.000 2.280 52 K HA -0.116 4.205 4.320 0.002 0.000 0.202 52 K C 1.829 178.513 176.600 0.139 0.000 1.047 52 K CA 1.159 57.545 56.287 0.164 0.000 0.942 52 K CB -0.423 32.047 32.500 -0.049 0.000 0.739 52 K HN 0.420 nan 8.250 nan 0.000 0.457 53 L N -0.248 121.032 121.223 0.095 0.000 2.017 53 L HA -0.182 4.159 4.340 0.002 0.000 0.208 53 L C 2.176 179.143 176.870 0.161 0.000 1.073 53 L CA 1.433 56.306 54.840 0.055 0.000 0.745 53 L CB -0.497 41.497 42.059 -0.109 0.000 0.894 53 L HN 0.086 nan 8.230 nan 0.000 0.432 54 F N -0.198 119.868 119.950 0.194 0.000 2.171 54 F HA -0.181 4.347 4.527 0.002 0.000 0.300 54 F C 2.664 178.562 175.800 0.164 0.000 1.090 54 F CA 1.465 59.564 58.000 0.164 0.000 1.293 54 F CB -1.204 37.864 39.000 0.113 0.000 1.013 54 F HN -0.004 nan 8.300 nan 0.000 0.486 55 T N -0.063 114.712 114.554 0.369 0.000 2.737 55 T HA -0.148 4.203 4.350 0.002 0.000 0.265 55 T C 2.353 177.215 174.700 0.270 0.000 1.038 55 T CA 1.283 63.562 62.100 0.298 0.000 1.144 55 T CB -0.715 68.358 68.868 0.341 0.000 0.866 55 T HN 0.281 nan 8.240 nan 0.000 0.434 56 A N 1.722 124.743 122.820 0.335 0.000 1.865 56 A HA 0.054 4.375 4.320 0.002 0.000 0.217 56 A C 2.650 180.318 177.584 0.141 0.000 1.191 56 A CA 2.107 54.342 52.037 0.330 0.000 0.623 56 A CB -1.302 17.899 19.000 0.335 0.000 0.826 56 A HN 0.513 nan 8.150 nan 0.000 0.444 57 A N -0.146 122.763 122.820 0.148 0.000 1.841 57 A HA 0.091 4.412 4.320 0.002 0.000 0.216 57 A C 2.598 180.092 177.584 -0.151 0.000 1.199 57 A CA 2.736 54.632 52.037 -0.236 0.000 0.621 57 A CB -1.395 17.518 19.000 -0.146 0.000 0.835 57 A HN 1.274 nan 8.150 nan 0.000 0.445 58 A N -0.185 122.650 122.820 0.025 0.000 1.884 58 A HA -0.025 4.296 4.320 0.002 0.000 0.219 58 A C 2.564 180.145 177.584 -0.005 0.000 1.197 58 A CA 3.018 55.083 52.037 0.047 0.000 0.637 58 A CB -1.312 17.749 19.000 0.101 0.000 0.827 58 A HN 1.331 nan 8.150 nan 0.000 0.450 59 A N -0.780 122.038 122.820 -0.003 0.000 1.940 59 A HA -0.081 4.240 4.320 0.002 0.000 0.219 59 A C 2.195 179.716 177.584 -0.104 0.000 1.176 59 A CA 1.647 53.669 52.037 -0.025 0.000 0.631 59 A CB -0.578 18.441 19.000 0.032 0.000 0.814 59 A HN 0.508 nan 8.150 nan 0.000 0.446 60 L N -0.921 120.149 121.223 -0.255 0.000 2.156 60 L HA -0.114 4.227 4.340 0.002 0.000 0.208 60 L C 2.598 179.340 176.870 -0.213 0.000 1.095 60 L CA 0.995 55.570 54.840 -0.443 0.000 0.770 60 L CB -0.318 40.982 42.059 -1.266 0.000 0.914 60 L HN 0.393 nan 8.230 nan 0.000 0.439 61 E N -0.453 119.703 120.200 -0.073 0.000 2.076 61 E HA -0.099 4.252 4.350 0.002 0.000 0.190 61 E C 2.247 178.888 176.600 0.067 0.000 0.979 61 E CA 1.042 57.522 56.400 0.134 0.000 0.807 61 E CB 0.135 29.937 29.700 0.170 0.000 0.761 61 E HN 0.309 nan 8.360 nan 0.000 0.454 62 V N 0.912 120.834 119.914 0.013 0.000 2.599 62 V HA -0.087 4.034 4.120 0.002 0.000 0.245 62 V C 2.237 178.303 176.094 -0.047 0.000 1.046 62 V CA 0.964 63.261 62.300 -0.005 0.000 1.065 62 V CB -0.162 31.654 31.823 -0.012 0.000 0.703 62 V HN 0.130 nan 8.190 nan 0.000 0.464 63 L N -0.253 120.912 121.223 -0.097 0.000 2.470 63 L HA 0.545 4.886 4.340 0.002 0.000 0.219 63 L C 1.087 177.928 176.870 -0.049 0.000 1.071 63 L CA 0.766 55.475 54.840 -0.218 0.000 0.850 63 L CB -0.113 41.690 42.059 -0.426 0.000 1.040 63 L HN 0.496 nan 8.230 nan 0.000 0.475 64 G N -0.304 108.499 108.800 0.005 0.000 2.785 64 G HA2 -0.073 3.888 3.960 0.002 0.000 0.686 64 G HA3 -0.073 3.888 3.960 0.002 0.000 0.686 64 G C 0.449 175.398 174.900 0.082 0.000 1.155 64 G CA -0.357 44.788 45.100 0.076 0.000 0.760 64 G HN 0.177 nan 8.290 nan 0.000 0.624 65 A N 0.700 123.582 122.820 0.104 0.000 2.172 65 A HA 0.105 4.426 4.320 0.002 0.000 0.216 65 A C 1.998 179.645 177.584 0.104 0.000 1.154 65 A CA 2.145 54.248 52.037 0.110 0.000 0.701 65 A CB -0.220 18.883 19.000 0.172 0.000 0.789 65 A HN 1.176 nan 8.150 nan 0.000 0.465 66 D N -1.725 118.731 120.400 0.093 0.000 2.350 66 D HA -0.027 4.614 4.640 0.002 0.000 0.213 66 D C 0.506 176.816 176.300 0.018 0.000 1.031 66 D CA -0.230 53.802 54.000 0.053 0.000 0.861 66 D CB -0.679 40.145 40.800 0.040 0.000 0.926 66 D HN 0.561 nan 8.370 nan 0.000 0.520 67 H N 1.257 120.292 119.070 -0.058 0.000 2.928 67 H HA 0.235 4.791 4.556 0.002 0.000 0.338 67 H C 0.117 175.323 175.328 -0.203 0.000 1.047 67 H CA 0.479 56.433 56.048 -0.156 0.000 1.435 67 H CB 0.662 30.306 29.762 -0.196 0.000 1.428 67 H HN 0.049 nan 8.280 nan 0.000 0.590 68 S N 3.376 118.671 115.700 -0.674 0.000 2.632 68 S HA 0.604 5.075 4.470 0.002 0.000 0.289 68 S C -1.308 172.878 174.600 -0.691 0.000 1.115 68 S CA -0.984 56.971 58.200 -0.409 0.000 0.889 68 S CB 1.447 64.501 63.200 -0.243 0.000 1.116 68 S HN 0.369 nan 8.310 nan 0.000 0.486 69 F N 0.106 119.944 119.950 -0.186 0.000 2.522 69 F HA 0.798 5.326 4.527 0.002 0.000 0.324 69 F C 0.885 176.550 175.800 -0.224 0.000 1.077 69 F CA -0.415 57.473 58.000 -0.186 0.000 0.944 69 F CB 2.075 40.992 39.000 -0.139 0.000 1.175 69 F HN 0.991 nan 8.300 nan 0.000 0.468 70 G N 0.195 108.924 108.800 -0.119 0.000 2.473 70 G HA2 0.674 4.635 3.960 0.002 0.000 0.321 70 G HA3 0.674 4.635 3.960 0.002 0.000 0.321 70 G C -1.432 173.374 174.900 -0.156 0.000 1.200 70 G CA -0.693 44.317 45.100 -0.150 0.000 0.963 70 G HN 0.549 nan 8.290 nan 0.000 0.483 71 T N 0.468 114.961 114.554 -0.102 0.000 2.909 71 T HA 0.664 5.015 4.350 0.002 0.000 0.299 71 T C -0.929 173.713 174.700 -0.097 0.000 1.073 71 T CA -0.633 61.398 62.100 -0.115 0.000 0.999 71 T CB 2.112 70.930 68.868 -0.084 0.000 1.098 71 T HN 0.780 nan 8.240 nan 0.000 0.477 72 E N 0.200 120.330 120.200 -0.116 0.000 2.407 72 E HA 0.672 5.023 4.350 0.002 0.000 0.279 72 E C -1.699 174.854 176.600 -0.079 0.000 1.012 72 E CA -1.136 55.214 56.400 -0.084 0.000 0.800 72 E CB 1.393 31.058 29.700 -0.058 0.000 1.276 72 E HN 0.272 nan 8.360 nan 0.000 0.452 73 V N 0.298 120.191 119.914 -0.035 0.000 2.581 73 V HA 0.851 4.972 4.120 0.002 0.000 0.303 73 V C -0.379 175.783 176.094 0.113 0.000 1.041 73 V CA -0.464 61.854 62.300 0.029 0.000 0.907 73 V CB 1.209 33.069 31.823 0.061 0.000 0.994 73 V HN 0.870 nan 8.190 nan 0.000 0.442 74 A N 3.049 125.994 122.820 0.208 0.000 2.475 74 A HA 1.014 5.335 4.320 0.002 0.000 0.301 74 A C -0.551 177.284 177.584 0.417 0.000 1.059 74 A CA -0.252 51.943 52.037 0.265 0.000 0.710 74 A CB 1.969 21.122 19.000 0.255 0.000 1.288 74 A HN 1.497 nan 8.150 nan 0.000 0.408 75 A N 0.135 123.129 122.820 0.289 0.000 2.423 75 A HA 0.683 5.004 4.320 0.002 0.000 0.304 75 A C 0.631 178.016 177.584 -0.332 0.000 1.104 75 A CA 0.202 52.329 52.037 0.151 0.000 0.757 75 A CB 1.070 20.105 19.000 0.059 0.000 1.313 75 A HN 1.080 nan 8.150 nan 0.000 0.423 76 E N 0.656 120.154 120.200 -1.169 0.000 2.130 76 E HA -0.120 4.231 4.350 0.002 0.000 0.196 76 E C 0.525 176.754 176.600 -0.617 0.000 0.998 76 E CA 1.747 57.200 56.400 -1.580 0.000 0.806 76 E CB 0.008 28.747 29.700 -1.603 0.000 0.738 76 E HN 0.836 nan 8.360 nan 0.000 0.459 77 S N -1.841 113.638 115.700 -0.368 0.000 2.587 77 S HA 0.650 5.121 4.470 0.002 0.000 0.269 77 S C -0.591 173.940 174.600 -0.115 0.000 1.154 77 S CA -0.777 57.306 58.200 -0.195 0.000 0.824 77 S CB 1.062 64.155 63.200 -0.178 0.000 1.118 77 S HN 0.332 nan 8.310 nan 0.000 0.462 78 A N 2.071 124.849 122.820 -0.070 0.000 2.547 78 A HA 0.539 4.860 4.320 0.002 0.000 0.233 78 A C -1.855 175.707 177.584 -0.038 0.000 1.067 78 A CA -0.540 51.474 52.037 -0.039 0.000 0.763 78 A CB -1.019 17.964 19.000 -0.028 0.000 1.007 78 A HN 0.734 nan 8.150 nan 0.000 0.506 79 P HA 0.212 nan 4.420 nan 0.000 0.271 79 P C 0.504 177.794 177.300 -0.017 0.000 1.218 79 P CA 0.319 63.410 63.100 -0.015 0.000 0.780 79 P CB 0.522 32.220 31.700 -0.003 0.000 0.901 80 G N 1.829 110.619 108.800 -0.016 0.000 2.683 80 G HA2 -0.002 3.959 3.960 0.002 0.000 0.260 80 G HA3 -0.002 3.959 3.960 0.002 0.000 0.260 80 G C 0.671 175.564 174.900 -0.011 0.000 1.238 80 G CA -0.608 44.483 45.100 -0.015 0.000 0.934 80 G HN 0.566 nan 8.290 nan 0.000 0.534 81 R N -0.686 119.808 120.500 -0.010 0.000 2.346 81 R HA 0.067 4.408 4.340 0.002 0.000 0.208 81 R C 1.553 177.850 176.300 -0.006 0.000 1.052 81 R CA 0.235 56.330 56.100 -0.008 0.000 1.116 81 R CB -0.098 30.198 30.300 -0.007 0.000 1.003 81 R HN 0.465 nan 8.270 nan 0.000 0.482 82 R N -1.240 119.257 120.500 -0.006 0.000 2.600 82 R HA 0.100 4.441 4.340 0.002 0.000 0.392 82 R C 0.257 176.554 176.300 -0.004 0.000 1.032 82 R CA 0.528 56.625 56.100 -0.005 0.000 1.139 82 R CB 0.778 31.076 30.300 -0.004 0.000 1.400 82 R HN 0.317 nan 8.270 nan 0.000 0.566 83 G N 1.702 110.500 108.800 -0.004 0.000 2.321 83 G HA2 -0.301 3.660 3.960 0.002 0.000 0.287 83 G HA3 -0.301 3.660 3.960 0.002 0.000 0.287 83 G C -0.515 174.384 174.900 -0.001 0.000 1.018 83 G CA 0.656 45.754 45.100 -0.003 0.000 0.855 83 G HN 0.482 nan 8.290 nan 0.000 0.507 84 E N -0.860 119.340 120.200 -0.000 0.000 2.171 84 E HA 0.597 4.948 4.350 0.002 0.000 0.271 84 E C -0.182 176.422 176.600 0.006 0.000 0.916 84 E CA -0.920 55.482 56.400 0.004 0.000 0.774 84 E CB 2.641 32.343 29.700 0.004 0.000 1.128 84 E HN 0.099 nan 8.360 nan 0.000 0.403 85 V N 2.372 122.297 119.914 0.018 0.000 2.960 85 V HA 0.123 4.244 4.120 0.002 0.000 0.315 85 V C 0.439 176.563 176.094 0.051 0.000 1.087 85 V CA -0.614 61.702 62.300 0.027 0.000 0.982 85 V CB 1.956 33.807 31.823 0.047 0.000 1.039 85 V HN 0.647 nan 8.190 nan 0.000 0.437 86 Q N 1.015 120.856 119.800 0.070 0.000 1.957 86 Q HA 0.185 4.526 4.340 0.002 0.000 0.251 86 Q C -0.136 175.979 176.000 0.193 0.000 0.973 86 Q CA 0.902 56.775 55.803 0.117 0.000 0.862 86 Q CB 0.051 28.863 28.738 0.122 0.000 0.962 86 Q HN 0.784 nan 8.270 nan 0.000 0.473 87 D N 0.276 120.879 120.400 0.339 0.000 2.210 87 D HA 0.353 4.994 4.640 0.002 0.000 0.249 87 D C -1.170 175.438 176.300 0.513 0.000 1.078 87 D CA -0.225 54.045 54.000 0.450 0.000 0.875 87 D CB 1.240 42.447 40.800 0.679 0.000 1.175 87 D HN 0.162 nan 8.370 nan 0.000 0.440 88 L N 3.475 124.886 121.223 0.314 0.000 2.356 88 L HA 0.389 4.730 4.340 0.002 0.000 0.277 88 L C -1.703 175.289 176.870 0.203 0.000 0.996 88 L CA -0.644 54.392 54.840 0.325 0.000 0.822 88 L CB 0.934 43.125 42.059 0.220 0.000 1.256 88 L HN 0.235 nan 8.230 nan 0.000 0.413 89 Y N 4.924 125.372 120.300 0.247 0.000 2.341 89 Y HA 0.552 5.103 4.550 0.001 0.000 0.337 89 Y C -0.418 175.525 175.900 0.072 0.000 1.014 89 Y CA -0.622 57.569 58.100 0.151 0.000 1.111 89 Y CB 1.847 40.331 38.460 0.039 0.000 1.194 89 Y HN 0.481 nan 8.280 nan 0.000 0.462 90 L N 5.067 126.363 121.223 0.122 0.000 2.262 90 L HA 0.653 4.994 4.340 0.002 0.000 0.288 90 L C -1.256 175.608 176.870 -0.010 0.000 1.035 90 L CA -0.447 54.358 54.840 -0.058 0.000 0.820 90 L CB 0.472 42.431 42.059 -0.166 0.000 1.204 90 L HN 0.398 nan 8.230 nan 0.000 0.424 91 V N 4.841 124.731 119.914 -0.040 0.000 2.417 91 V HA 0.777 4.898 4.120 0.002 0.000 0.291 91 V C 0.626 176.651 176.094 -0.114 0.000 1.024 91 V CA -0.368 61.908 62.300 -0.041 0.000 0.861 91 V CB 1.255 33.062 31.823 -0.027 0.000 0.985 91 V HN 0.872 nan 8.190 nan 0.000 0.436 92 G N 3.341 112.070 108.800 -0.120 0.000 2.416 92 G HA2 0.616 4.577 3.960 0.002 0.000 0.329 92 G HA3 0.616 4.577 3.960 0.002 0.000 0.329 92 G C -0.120 174.609 174.900 -0.286 0.000 1.173 92 G CA -0.699 44.292 45.100 -0.182 0.000 0.929 92 G HN 0.628 nan 8.290 nan 0.000 0.475 93 R N 1.154 121.394 120.500 -0.433 0.000 2.816 93 R HA 0.321 4.662 4.340 0.002 0.000 0.382 93 R C 0.957 176.878 176.300 -0.631 0.000 1.140 93 R CA 0.176 55.754 56.100 -0.869 0.000 1.050 93 R CB 0.957 30.489 30.300 -1.280 0.000 1.396 93 R HN 1.050 nan 8.270 nan 0.000 0.583 94 G N 1.365 109.866 108.800 -0.498 0.000 2.132 94 G HA2 -0.242 3.719 3.960 0.002 0.000 0.228 94 G HA3 -0.242 3.719 3.960 0.002 0.000 0.228 94 G C -0.409 174.313 174.900 -0.296 0.000 1.000 94 G CA 0.012 44.889 45.100 -0.373 0.000 0.693 94 G HN 0.423 nan 8.290 nan 0.000 0.515 95 D N 0.766 121.006 120.400 -0.266 0.000 2.336 95 D HA 0.409 5.050 4.640 0.002 0.000 0.249 95 D C -0.281 175.788 176.300 -0.385 0.000 1.213 95 D CA -1.910 51.855 54.000 -0.392 0.000 0.870 95 D CB 1.279 42.005 40.800 -0.124 0.000 1.076 95 D HN 0.183 nan 8.370 nan 0.000 0.483 96 P HA 0.011 nan 4.420 nan 0.000 0.249 96 P C 0.375 177.501 177.300 -0.290 0.000 1.229 96 P CA 0.440 63.316 63.100 -0.374 0.000 0.788 96 P CB 0.138 31.454 31.700 -0.641 0.000 1.072 97 T N -3.253 111.046 114.554 -0.425 0.000 3.296 97 T HA 0.262 4.612 4.350 0.002 0.000 0.285 97 T C 0.167 174.718 174.700 -0.248 0.000 1.014 97 T CA -0.546 61.147 62.100 -0.678 0.000 0.920 97 T CB -0.679 67.473 68.868 -1.193 0.000 1.143 97 T HN -0.132 nan 8.240 nan 0.000 0.522 98 L N 4.051 125.237 121.223 -0.063 0.000 2.385 98 L HA 0.515 4.856 4.340 0.002 0.000 0.281 98 L C 0.380 177.296 176.870 0.077 0.000 1.106 98 L CA -0.022 54.816 54.840 -0.003 0.000 0.856 98 L CB 0.185 42.220 42.059 -0.039 0.000 1.186 98 L HN 0.475 nan 8.230 nan 0.000 0.453 99 S N 3.602 119.355 115.700 0.089 0.000 2.730 99 S HA 0.699 5.170 4.470 0.002 0.000 0.284 99 S C 1.177 175.788 174.600 0.019 0.000 1.153 99 S CA -0.285 57.976 58.200 0.103 0.000 0.995 99 S CB 1.356 64.643 63.200 0.145 0.000 1.058 99 S HN 0.767 nan 8.310 nan 0.000 0.552 100 A N 0.314 123.148 122.820 0.022 0.000 1.969 100 A HA 0.024 4.345 4.320 0.002 0.000 0.218 100 A C 1.901 179.487 177.584 0.003 0.000 1.169 100 A CA 1.410 53.458 52.037 0.017 0.000 0.635 100 A CB -1.064 17.946 19.000 0.017 0.000 0.810 100 A HN 0.869 nan 8.150 nan 0.000 0.445 101 E N 0.703 120.897 120.200 -0.010 0.000 2.047 101 E HA -0.144 4.207 4.350 0.002 0.000 0.191 101 E C 1.484 178.056 176.600 -0.047 0.000 0.987 101 E CA 1.341 57.731 56.400 -0.016 0.000 0.799 101 E CB -0.224 29.472 29.700 -0.007 0.000 0.752 101 E HN 0.526 nan 8.360 nan 0.000 0.449 102 D N 0.286 120.616 120.400 -0.117 0.000 2.149 102 D HA -0.157 4.484 4.640 0.002 0.000 0.198 102 D C 1.952 178.141 176.300 -0.185 0.000 0.990 102 D CA 0.827 54.634 54.000 -0.321 0.000 0.839 102 D CB -0.124 40.318 40.800 -0.596 0.000 0.948 102 D HN 0.191 nan 8.370 nan 0.000 0.460 103 L N 0.629 121.816 121.223 -0.059 0.000 2.093 103 L HA -0.129 4.212 4.340 0.002 0.000 0.208 103 L C 2.243 179.247 176.870 0.223 0.000 1.085 103 L CA 1.026 55.926 54.840 0.100 0.000 0.755 103 L CB -0.251 41.902 42.059 0.156 0.000 0.904 103 L HN 0.001 nan 8.230 nan 0.000 0.435 104 D N 0.109 120.563 120.400 0.090 0.000 2.183 104 D HA -0.122 4.519 4.640 0.002 0.000 0.203 104 D C 2.073 178.407 176.300 0.057 0.000 0.969 104 D CA 1.069 55.101 54.000 0.054 0.000 0.842 104 D CB 0.499 41.304 40.800 0.008 0.000 0.957 104 D HN 0.271 nan 8.370 nan 0.000 0.484 105 A N 0.977 123.820 122.820 0.038 0.000 1.858 105 A HA -0.160 4.161 4.320 0.002 0.000 0.216 105 A C 2.363 179.994 177.584 0.079 0.000 1.190 105 A CA 1.402 53.462 52.037 0.039 0.000 0.617 105 A CB -0.647 18.362 19.000 0.015 0.000 0.827 105 A HN 0.251 nan 8.150 nan 0.000 0.443 106 M N -0.575 119.091 119.600 0.110 0.000 2.279 106 M HA -0.134 4.347 4.480 0.002 0.000 0.264 106 M C 2.405 178.880 176.300 0.293 0.000 1.062 106 M CA 1.162 56.563 55.300 0.168 0.000 1.099 106 M CB -0.354 32.298 32.600 0.086 0.000 1.394 106 M HN 0.520 nan 8.290 nan 0.000 0.426 107 A N 0.354 123.360 122.820 0.310 0.000 1.930 107 A HA 0.006 4.327 4.320 0.002 0.000 0.217 107 A C 2.370 179.975 177.584 0.035 0.000 1.175 107 A CA 1.673 53.761 52.037 0.086 0.000 0.627 107 A CB -0.767 18.150 19.000 -0.138 0.000 0.815 107 A HN 0.471 nan 8.150 nan 0.000 0.443 108 A N 0.191 123.037 122.820 0.043 0.000 1.877 108 A HA -0.194 4.127 4.320 0.002 0.000 0.216 108 A C 1.916 179.521 177.584 0.036 0.000 1.186 108 A CA 1.686 53.737 52.037 0.023 0.000 0.620 108 A CB -0.577 18.437 19.000 0.023 0.000 0.822 108 A HN 0.646 nan 8.150 nan 0.000 0.443 109 E N -0.252 119.983 120.200 0.059 0.000 2.031 109 E HA -0.145 4.206 4.350 0.002 0.000 0.193 109 E C 1.976 178.612 176.600 0.060 0.000 0.994 109 E CA 1.392 57.826 56.400 0.057 0.000 0.800 109 E CB -0.479 29.261 29.700 0.067 0.000 0.752 109 E HN 0.356 nan 8.360 nan 0.000 0.447 110 V N 1.641 121.610 119.914 0.092 0.000 2.370 110 V HA -0.339 3.782 4.120 0.002 0.000 0.252 110 V C 2.324 178.445 176.094 0.045 0.000 1.068 110 V CA 2.059 64.414 62.300 0.092 0.000 1.061 110 V CB -0.814 31.098 31.823 0.150 0.000 0.656 110 V HN 0.358 nan 8.190 nan 0.000 0.455 111 A N -0.266 122.567 122.820 0.023 0.000 1.898 111 A HA 0.127 4.448 4.320 0.002 0.000 0.214 111 A C 2.244 179.833 177.584 0.008 0.000 1.183 111 A CA 1.366 53.404 52.037 0.003 0.000 0.622 111 A CB -0.616 18.375 19.000 -0.015 0.000 0.824 111 A HN 0.600 nan 8.150 nan 0.000 0.444 112 A N 0.353 123.181 122.820 0.014 0.000 2.239 112 A HA 0.160 4.481 4.320 0.002 0.000 0.209 112 A C 1.902 179.494 177.584 0.014 0.000 1.171 112 A CA 1.395 53.439 52.037 0.012 0.000 0.768 112 A CB -0.690 18.319 19.000 0.014 0.000 0.790 112 A HN 0.844 nan 8.150 nan 0.000 0.478 113 S N -2.613 113.098 115.700 0.018 0.000 2.540 113 S HA 0.433 4.904 4.470 0.002 0.000 0.218 113 S C 1.162 175.768 174.600 0.011 0.000 0.977 113 S CA 0.727 58.937 58.200 0.018 0.000 0.918 113 S CB 0.042 63.259 63.200 0.027 0.000 0.806 113 S HN 1.732 nan 8.310 nan 0.000 0.496 114 G N 0.459 109.264 108.800 0.009 0.000 2.135 114 G HA2 -0.172 3.789 3.960 0.002 0.000 0.183 114 G HA3 -0.172 3.789 3.960 0.002 0.000 0.183 114 G C -0.193 174.709 174.900 0.004 0.000 1.004 114 G CA -0.195 44.907 45.100 0.004 0.000 0.677 114 G HN 0.602 nan 8.290 nan 0.000 0.512 115 V N 0.281 120.200 119.914 0.007 0.000 2.481 115 V HA 0.699 4.820 4.120 0.002 0.000 0.286 115 V C 1.209 177.301 176.094 -0.004 0.000 1.042 115 V CA 0.206 62.510 62.300 0.007 0.000 0.928 115 V CB 1.626 33.461 31.823 0.019 0.000 0.986 115 V HN 0.379 nan 8.190 nan 0.000 0.462 116 R N 1.872 122.368 120.500 -0.006 0.000 2.568 116 R HA 0.271 4.612 4.340 0.002 0.000 0.254 116 R C -0.307 175.983 176.300 -0.015 0.000 0.925 116 R CA 0.288 56.379 56.100 -0.013 0.000 1.025 116 R CB 1.049 31.343 30.300 -0.011 0.000 1.428 116 R HN 0.778 nan 8.270 nan 0.000 0.573 117 T N 0.213 114.762 114.554 -0.008 0.000 3.041 117 T HA 0.291 4.642 4.350 0.002 0.000 0.321 117 T C -1.403 173.300 174.700 0.005 0.000 1.184 117 T CA -0.446 61.650 62.100 -0.007 0.000 1.050 117 T CB 2.497 71.362 68.868 -0.005 0.000 1.159 117 T HN -0.189 nan 8.240 nan 0.000 0.469 118 V N 3.640 123.556 119.914 0.004 0.000 2.257 118 V HA 0.295 4.416 4.120 0.002 0.000 0.269 118 V C 1.422 177.527 176.094 0.019 0.000 1.040 118 V CA -0.594 61.719 62.300 0.022 0.000 0.813 118 V CB 0.738 32.573 31.823 0.019 0.000 1.065 118 V HN 0.753 nan 8.190 nan 0.000 0.457 119 R N 3.810 124.327 120.500 0.028 0.000 2.096 119 R HA -0.022 4.319 4.340 0.002 0.000 0.235 119 R C 1.440 177.762 176.300 0.038 0.000 1.127 119 R CA 1.669 57.785 56.100 0.027 0.000 0.968 119 R CB -0.405 29.914 30.300 0.031 0.000 0.861 119 R HN 0.717 nan 8.270 nan 0.000 0.440 120 G N -0.662 108.176 108.800 0.063 0.000 2.514 120 G HA2 0.074 4.035 3.960 0.002 0.000 0.245 120 G HA3 0.074 4.035 3.960 0.002 0.000 0.245 120 G C -0.564 174.357 174.900 0.034 0.000 1.488 120 G CA -0.315 44.836 45.100 0.085 0.000 1.063 120 G HN 0.278 nan 8.290 nan 0.000 0.557 121 D N -1.189 119.223 120.400 0.021 0.000 2.442 121 D HA 0.439 5.080 4.640 0.002 0.000 0.254 121 D C -0.828 175.338 176.300 -0.222 0.000 1.069 121 D CA -0.336 53.564 54.000 -0.166 0.000 1.017 121 D CB 2.249 42.827 40.800 -0.370 0.000 1.172 121 D HN 0.130 nan 8.370 nan 0.000 0.561 122 L N 0.941 121.941 121.223 -0.371 0.000 2.322 122 L HA 0.389 4.730 4.340 0.002 0.000 0.281 122 L C -1.759 174.811 176.870 -0.500 0.000 1.014 122 L CA -0.516 54.161 54.840 -0.271 0.000 0.815 122 L CB 0.869 42.859 42.059 -0.116 0.000 1.247 122 L HN 0.246 nan 8.230 nan 0.000 0.421 123 Y N 3.375 123.463 120.300 -0.354 0.000 2.409 123 Y HA 0.741 5.292 4.550 0.001 0.000 0.343 123 Y C 0.243 176.044 175.900 -0.166 0.000 0.973 123 Y CA -0.751 57.126 58.100 -0.372 0.000 1.064 123 Y CB 2.134 40.084 38.460 -0.851 0.000 1.207 123 Y HN 0.760 nan 8.280 nan 0.000 0.452 124 A N 2.460 125.337 122.820 0.095 0.000 2.260 124 A HA 0.361 4.682 4.320 0.002 0.000 0.312 124 A C -0.974 176.686 177.584 0.126 0.000 1.321 124 A CA -0.447 51.637 52.037 0.079 0.000 0.928 124 A CB 0.005 19.032 19.000 0.045 0.000 1.158 124 A HN 0.638 nan 8.150 nan 0.000 0.542 125 D N 2.674 123.150 120.400 0.126 0.000 2.427 125 D HA 0.288 4.928 4.640 0.002 0.000 0.226 125 D C -0.420 175.920 176.300 0.067 0.000 1.076 125 D CA -0.321 53.755 54.000 0.127 0.000 0.849 125 D CB 1.182 42.083 40.800 0.168 0.000 1.052 125 D HN 0.532 nan 8.370 nan 0.000 0.515 126 D N 1.198 121.642 120.400 0.073 0.000 2.501 126 D HA -0.062 4.579 4.640 0.002 0.000 0.224 126 D C 1.236 177.603 176.300 0.111 0.000 1.202 126 D CA -0.073 53.966 54.000 0.064 0.000 0.829 126 D CB -0.358 40.480 40.800 0.065 0.000 1.023 126 D HN 0.326 nan 8.370 nan 0.000 0.499 127 T N -3.420 111.198 114.554 0.107 0.000 2.996 127 T HA -0.210 4.141 4.350 0.002 0.000 0.271 127 T C 1.420 176.216 174.700 0.160 0.000 1.126 127 T CA 0.346 62.511 62.100 0.107 0.000 1.103 127 T CB -0.985 67.920 68.868 0.062 0.000 0.870 127 T HN 0.443 nan 8.240 nan 0.000 0.528 128 W N 0.816 122.105 121.300 -0.018 0.000 2.421 128 W HA 0.125 4.786 4.660 0.001 0.000 0.270 128 W C -0.673 175.967 176.519 0.202 0.000 1.233 128 W CA 0.147 57.488 57.345 -0.007 0.000 1.226 128 W CB -0.013 29.352 29.460 -0.158 0.000 1.121 128 W HN 0.129 nan 8.180 nan 0.000 0.579 129 F N 0.900 120.879 119.950 0.048 0.000 2.598 129 F HA 0.262 4.789 4.527 0.001 0.000 0.327 129 F C 0.641 176.387 175.800 -0.091 0.000 1.057 129 F CA -2.160 55.789 58.000 -0.086 0.000 0.957 129 F CB -0.078 38.899 39.000 -0.039 0.000 1.278 129 F HN -0.374 nan 8.300 nan 0.000 0.484 130 D N 0.134 120.537 120.400 0.005 0.000 2.378 130 D HA -0.005 4.636 4.640 0.002 0.000 0.238 130 D C 0.580 176.884 176.300 0.006 0.000 1.180 130 D CA 0.386 54.356 54.000 -0.049 0.000 0.895 130 D CB 1.142 41.847 40.800 -0.158 0.000 1.192 130 D HN 0.487 nan 8.370 nan 0.000 0.438 131 S N 1.131 116.846 115.700 0.025 0.000 2.622 131 S HA 0.072 4.543 4.470 0.002 0.000 0.236 131 S C 0.405 175.042 174.600 0.061 0.000 0.956 131 S CA -0.531 57.700 58.200 0.052 0.000 0.971 131 S CB 0.026 63.259 63.200 0.056 0.000 0.782 131 S HN 0.467 nan 8.310 nan 0.000 0.468 132 E N 1.640 121.874 120.200 0.057 0.000 2.052 132 E HA 0.216 4.567 4.350 0.002 0.000 0.283 132 E C 0.585 177.306 176.600 0.201 0.000 1.071 132 E CA -0.557 55.927 56.400 0.140 0.000 0.851 132 E CB 0.375 30.205 29.700 0.217 0.000 1.066 132 E HN 0.224 nan 8.360 nan 0.000 0.396 133 R N 2.659 123.271 120.500 0.186 0.000 2.093 133 R HA 0.130 4.471 4.340 0.002 0.000 0.224 133 R C 0.434 176.921 176.300 0.312 0.000 1.101 133 R CA 0.713 56.943 56.100 0.217 0.000 0.979 133 R CB -0.257 30.145 30.300 0.170 0.000 0.877 133 R HN 0.413 nan 8.270 nan 0.000 0.441 134 L N -0.119 121.212 121.223 0.179 0.000 2.388 134 L HA 0.401 4.742 4.340 0.002 0.000 0.264 134 L C -0.301 176.188 176.870 -0.635 0.000 0.998 134 L CA -1.050 53.737 54.840 -0.089 0.000 0.817 134 L CB 2.507 44.651 42.059 0.142 0.000 1.338 134 L HN -0.358 nan 8.230 nan 0.000 0.414 135 V N 1.551 120.453 119.914 -1.687 0.000 2.655 135 V HA -0.072 4.049 4.120 0.002 0.000 0.300 135 V C 0.788 176.385 176.094 -0.829 0.000 1.044 135 V CA 0.269 61.542 62.300 -1.711 0.000 1.095 135 V CB 0.918 31.288 31.823 -2.423 0.000 0.952 135 V HN 1.026 nan 8.190 nan 0.000 0.485 136 D N 3.839 123.921 120.400 -0.531 0.000 2.157 136 D HA -0.284 4.357 4.640 0.002 0.000 0.191 136 D C 1.116 177.341 176.300 -0.126 0.000 1.004 136 D CA 1.873 55.727 54.000 -0.244 0.000 0.854 136 D CB -0.335 40.355 40.800 -0.184 0.000 0.936 136 D HN 0.775 nan 8.370 nan 0.000 0.446 137 D N -1.702 118.614 120.400 -0.139 0.000 2.336 137 D HA -0.027 4.614 4.640 0.002 0.000 0.228 137 D C -0.441 175.943 176.300 0.140 0.000 1.120 137 D CA -0.658 53.351 54.000 0.016 0.000 0.839 137 D CB -0.696 40.099 40.800 -0.008 0.000 0.932 137 D HN 0.236 nan 8.370 nan 0.000 0.509 138 W N 0.797 122.041 121.300 -0.095 0.000 2.251 138 W HA 0.293 4.954 4.660 0.002 0.000 0.329 138 W C 0.369 176.947 176.519 0.099 0.000 1.234 138 W CA -1.337 55.949 57.345 -0.098 0.000 1.228 138 W CB 0.192 29.617 29.460 -0.059 0.000 1.135 138 W HN -0.048 nan 8.180 nan 0.000 0.576 139 W N 3.813 125.243 121.300 0.216 0.000 2.311 139 W HA 0.197 4.858 4.660 0.002 0.000 0.310 139 W C -1.294 175.305 176.519 0.134 0.000 1.274 139 W CA -2.646 54.781 57.345 0.137 0.000 1.215 139 W CB -0.180 29.338 29.460 0.096 0.000 1.227 139 W HN 0.242 nan 8.180 nan 0.000 0.523 140 P HA -0.205 nan 4.420 nan 0.000 0.218 140 P C 1.078 178.482 177.300 0.174 0.000 1.148 140 P CA 1.857 65.077 63.100 0.199 0.000 0.822 140 P CB 0.484 32.263 31.700 0.132 0.000 0.784 141 E N -0.895 119.422 120.200 0.196 0.000 2.265 141 E HA -0.147 4.204 4.350 0.002 0.000 0.196 141 E C 1.470 178.234 176.600 0.273 0.000 0.996 141 E CA 0.922 57.430 56.400 0.180 0.000 0.832 141 E CB -0.632 29.142 29.700 0.123 0.000 0.756 141 E HN 0.304 nan 8.360 nan 0.000 0.491 142 D N 0.179 120.769 120.400 0.316 0.000 2.271 142 D HA -0.054 4.587 4.640 0.002 0.000 0.206 142 D C 1.286 177.653 176.300 0.111 0.000 0.967 142 D CA 0.313 54.503 54.000 0.316 0.000 0.867 142 D CB 0.025 41.016 40.800 0.318 0.000 0.960 142 D HN 0.264 nan 8.370 nan 0.000 0.509 143 E N 0.483 120.729 120.200 0.076 0.000 2.236 143 E HA -0.205 4.146 4.350 0.002 0.000 0.205 143 E C -0.875 175.632 176.600 -0.156 0.000 1.028 143 E CA 1.144 57.541 56.400 -0.004 0.000 0.827 143 E CB -0.653 29.078 29.700 0.050 0.000 0.735 143 E HN 0.350 nan 8.360 nan 0.000 0.470 144 P HA -0.088 nan 4.420 nan 0.000 0.229 144 P C -0.487 176.367 177.300 -0.743 0.000 1.160 144 P CA 1.018 63.769 63.100 -0.582 0.000 0.777 144 P CB 0.052 31.259 31.700 -0.822 0.000 0.814 145 Y N -1.579 118.541 120.300 -0.300 0.000 2.352 145 Y HA 0.530 5.081 4.550 0.002 0.000 0.326 145 Y C 1.957 177.581 175.900 -0.459 0.000 1.166 145 Y CA -0.980 56.866 58.100 -0.424 0.000 1.182 145 Y CB 0.238 38.323 38.460 -0.625 0.000 1.216 145 Y HN -0.232 nan 8.280 nan 0.000 0.474 146 A N 2.021 124.775 122.820 -0.109 0.000 1.940 146 A HA -0.314 4.007 4.320 0.002 0.000 0.221 146 A C 1.712 179.272 177.584 -0.040 0.000 1.190 146 A CA 2.474 54.478 52.037 -0.054 0.000 0.647 146 A CB -1.526 17.480 19.000 0.011 0.000 0.821 146 A HN 0.953 nan 8.150 nan 0.000 0.457 147 Y N -2.065 118.249 120.300 0.023 0.000 2.680 147 Y HA 0.314 4.865 4.550 0.002 0.000 0.303 147 Y C 1.627 177.452 175.900 -0.125 0.000 1.166 147 Y CA 0.796 58.869 58.100 -0.045 0.000 1.344 147 Y CB -0.536 37.881 38.460 -0.073 0.000 1.002 147 Y HN 0.171 nan 8.280 nan 0.000 0.537 148 S N 0.079 115.611 115.700 -0.280 0.000 2.941 148 S HA 0.625 5.096 4.470 0.002 0.000 0.251 148 S C 0.469 175.060 174.600 -0.014 0.000 1.029 148 S CA -0.240 57.820 58.200 -0.234 0.000 1.062 148 S CB -0.927 62.103 63.200 -0.283 0.000 0.977 148 S HN 0.605 nan 8.310 nan 0.000 0.552 149 A N 1.479 124.315 122.820 0.027 0.000 2.520 149 A HA 0.334 4.655 4.320 0.002 0.000 0.235 149 A C 0.458 178.179 177.584 0.228 0.000 1.065 149 A CA 0.151 52.247 52.037 0.099 0.000 0.764 149 A CB 0.094 19.147 19.000 0.088 0.000 1.002 149 A HN 0.707 nan 8.150 nan 0.000 0.502 150 Q N 0.024 119.951 119.800 0.212 0.000 2.432 150 Q HA 0.169 4.510 4.340 0.002 0.000 0.264 150 Q C -0.454 175.699 176.000 0.254 0.000 1.035 150 Q CA 0.043 56.000 55.803 0.257 0.000 0.908 150 Q CB 0.427 29.277 28.738 0.186 0.000 1.280 150 Q HN 0.546 nan 8.270 nan 0.000 0.455 151 I N 1.458 122.186 120.570 0.264 0.000 2.315 151 I HA 0.249 4.420 4.170 0.002 0.000 0.291 151 I C 0.029 176.229 176.117 0.138 0.000 1.006 151 I CA 0.193 61.604 61.300 0.185 0.000 1.265 151 I CB 0.824 38.864 38.000 0.067 0.000 1.387 151 I HN 0.439 nan 8.210 nan 0.000 0.475 152 S N 3.836 119.646 115.700 0.182 0.000 2.546 152 S HA 0.680 5.151 4.470 0.002 0.000 0.274 152 S C 0.662 175.384 174.600 0.204 0.000 1.121 152 S CA -0.076 58.239 58.200 0.191 0.000 0.887 152 S CB 1.864 65.138 63.200 0.123 0.000 1.094 152 S HN 0.677 nan 8.310 nan 0.000 0.474 153 A N 3.211 126.108 122.820 0.128 0.000 2.067 153 A HA 0.265 4.586 4.320 0.002 0.000 0.219 153 A C 0.766 178.237 177.584 -0.188 0.000 1.158 153 A CA 0.664 52.515 52.037 -0.311 0.000 0.661 153 A CB -0.269 18.488 19.000 -0.405 0.000 0.801 153 A HN 0.746 nan 8.150 nan 0.000 0.452 154 L N 0.608 121.796 121.223 -0.059 0.000 2.366 154 L HA 0.459 4.800 4.340 0.002 0.000 0.266 154 L C -0.920 175.943 176.870 -0.012 0.000 1.010 154 L CA -0.091 54.716 54.840 -0.056 0.000 0.879 154 L CB 1.379 43.416 42.059 -0.038 0.000 1.228 154 L HN 0.148 nan 8.230 nan 0.000 0.439 155 T N 3.001 117.548 114.554 -0.011 0.000 2.933 155 T HA 0.467 4.818 4.350 0.002 0.000 0.305 155 T C -0.937 173.783 174.700 0.033 0.000 1.092 155 T CA -0.296 61.821 62.100 0.028 0.000 1.008 155 T CB 1.799 70.708 68.868 0.068 0.000 1.102 155 T HN 0.139 nan 8.240 nan 0.000 0.469 156 V N 4.369 124.314 119.914 0.052 0.000 2.432 156 V HA 0.655 4.776 4.120 0.002 0.000 0.271 156 V C 0.897 177.071 176.094 0.133 0.000 1.046 156 V CA -0.580 61.765 62.300 0.074 0.000 0.945 156 V CB 0.625 32.486 31.823 0.063 0.000 0.992 156 V HN 1.082 nan 8.190 nan 0.000 0.471 157 A N 4.049 126.982 122.820 0.188 0.000 2.316 157 A HA 0.600 4.921 4.320 0.002 0.000 0.284 157 A C -0.432 177.310 177.584 0.263 0.000 1.115 157 A CA -0.333 51.882 52.037 0.297 0.000 0.812 157 A CB 0.224 19.529 19.000 0.507 0.000 1.064 157 A HN 1.010 nan 8.150 nan 0.000 0.489 158 H N 0.233 119.365 119.070 0.104 0.000 2.466 158 H HA 0.535 5.091 4.556 0.002 0.000 0.338 158 H C 0.637 175.887 175.328 -0.130 0.000 1.091 158 H CA 0.888 56.934 56.048 -0.003 0.000 1.207 158 H CB 0.983 30.745 29.762 -0.001 0.000 1.466 158 H HN 1.574 nan 8.280 nan 0.000 0.493 159 G N 3.472 111.944 108.800 -0.546 0.000 2.804 159 G HA2 -0.300 3.661 3.960 0.002 0.000 0.230 159 G HA3 -0.300 3.661 3.960 0.002 0.000 0.230 159 G C 0.778 175.291 174.900 -0.646 0.000 1.386 159 G CA 0.172 44.991 45.100 -0.469 0.000 0.875 159 G HN 0.845 nan 8.290 nan 0.000 0.557 160 E N -0.211 119.734 120.200 -0.426 0.000 2.478 160 E HA -0.027 4.324 4.350 0.002 0.000 0.198 160 E C 2.015 178.511 176.600 -0.173 0.000 1.046 160 E CA 0.987 57.169 56.400 -0.363 0.000 0.870 160 E CB 0.072 29.769 29.700 -0.005 0.000 0.818 160 E HN 0.571 nan 8.360 nan 0.000 0.527 161 R N -0.034 120.323 120.500 -0.240 0.000 2.312 161 R HA 0.141 4.482 4.340 0.002 0.000 0.205 161 R C -0.345 176.028 176.300 0.121 0.000 0.904 161 R CA -0.176 55.850 56.100 -0.123 0.000 1.052 161 R CB -0.085 29.943 30.300 -0.454 0.000 1.014 161 R HN 0.054 nan 8.270 nan 0.000 0.503 162 F N 2.201 122.227 119.950 0.128 0.000 2.773 162 F HA -0.238 4.290 4.527 0.002 0.000 0.251 162 F C -0.557 175.302 175.800 0.098 0.000 1.020 162 F CA 0.347 58.450 58.000 0.171 0.000 0.924 162 F CB -1.378 37.812 39.000 0.318 0.000 0.919 162 F HN 0.064 nan 8.300 nan 0.000 0.846 163 D N 0.998 121.496 120.400 0.163 0.000 2.312 163 D HA 0.246 4.887 4.640 0.002 0.000 0.252 163 D C 0.847 177.242 176.300 0.159 0.000 1.150 163 D CA 0.253 54.309 54.000 0.095 0.000 0.870 163 D CB 1.229 42.054 40.800 0.041 0.000 1.153 163 D HN 0.348 nan 8.370 nan 0.000 0.457 164 T N -2.117 112.525 114.554 0.147 0.000 2.881 164 T HA 0.459 4.810 4.350 0.002 0.000 0.278 164 T C 1.219 175.990 174.700 0.117 0.000 0.982 164 T CA -0.410 61.785 62.100 0.159 0.000 0.989 164 T CB 1.294 70.270 68.868 0.180 0.000 1.058 164 T HN 0.502 nan 8.240 nan 0.000 0.529 165 G N 0.077 108.945 108.800 0.112 0.000 2.450 165 G HA2 -0.019 3.942 3.960 0.002 0.000 0.302 165 G HA3 -0.019 3.942 3.960 0.002 0.000 0.302 165 G C 0.120 175.063 174.900 0.072 0.000 0.957 165 G CA 0.524 45.681 45.100 0.096 0.000 1.005 165 G HN 1.765 nan 8.290 nan 0.000 0.514 166 V N -4.158 115.791 119.914 0.058 0.000 3.130 166 V HA 0.993 5.114 4.120 0.002 0.000 0.310 166 V C -0.152 175.949 176.094 0.012 0.000 1.158 166 V CA -0.228 62.078 62.300 0.012 0.000 1.029 166 V CB 2.127 33.927 31.823 -0.038 0.000 1.057 166 V HN 0.799 nan 8.190 nan 0.000 0.436 167 T N 0.296 114.837 114.554 -0.021 0.000 2.906 167 T HA 0.455 4.806 4.350 0.002 0.000 0.295 167 T C -1.015 173.637 174.700 -0.079 0.000 1.061 167 T CA -0.373 61.724 62.100 -0.005 0.000 1.000 167 T CB 1.866 70.763 68.868 0.047 0.000 1.103 167 T HN 1.096 nan 8.240 nan 0.000 0.486 168 E N 2.803 122.963 120.200 -0.066 0.000 2.152 168 E HA 0.481 4.832 4.350 0.002 0.000 0.285 168 E C -0.913 175.673 176.600 -0.023 0.000 1.043 168 E CA -0.563 55.785 56.400 -0.088 0.000 0.839 168 E CB 0.752 30.439 29.700 -0.022 0.000 1.069 168 E HN 0.410 nan 8.360 nan 0.000 0.399 169 V N 3.809 123.704 119.914 -0.032 0.000 2.407 169 V HA 0.244 4.365 4.120 0.002 0.000 0.278 169 V C -0.089 176.002 176.094 -0.005 0.000 1.037 169 V CA -0.522 61.770 62.300 -0.014 0.000 0.900 169 V CB 1.590 33.400 31.823 -0.022 0.000 0.983 169 V HN 0.596 nan 8.190 nan 0.000 0.459 170 S N 3.600 119.303 115.700 0.004 0.000 2.454 170 S HA 0.729 5.200 4.470 0.002 0.000 0.306 170 S C -0.531 174.072 174.600 0.005 0.000 1.100 170 S CA -0.545 57.659 58.200 0.007 0.000 1.087 170 S CB 1.824 65.032 63.200 0.013 0.000 1.019 170 S HN 0.465 nan 8.310 nan 0.000 0.480 171 V N 3.350 123.268 119.914 0.005 0.000 2.525 171 V HA 0.638 4.759 4.120 0.002 0.000 0.299 171 V C -0.003 176.094 176.094 0.005 0.000 1.034 171 V CA -0.691 61.611 62.300 0.004 0.000 0.863 171 V CB 1.742 33.567 31.823 0.003 0.000 0.999 171 V HN 1.009 nan 8.190 nan 0.000 0.423 172 T N 3.187 117.744 114.554 0.005 0.000 2.908 172 T HA 0.714 5.065 4.350 0.002 0.000 0.290 172 T C -3.046 171.656 174.700 0.004 0.000 1.034 172 T CA -2.378 59.725 62.100 0.005 0.000 1.010 172 T CB 2.627 71.498 68.868 0.006 0.000 1.068 172 T HN 0.456 nan 8.240 nan 0.000 0.481 173 P HA 0.491 nan 4.420 nan 0.000 0.284 173 P C -0.393 176.909 177.300 0.003 0.000 1.253 173 P CA -0.362 62.740 63.100 0.003 0.000 0.800 173 P CB 1.359 33.061 31.700 0.003 0.000 0.961 174 A N 3.439 126.260 122.820 0.002 0.000 3.538 174 A HA 0.758 5.079 4.320 0.002 0.000 0.174 174 A C 0.340 177.924 177.584 0.002 0.000 1.733 174 A CA -0.274 51.764 52.037 0.002 0.000 0.888 174 A CB -0.467 18.533 19.000 0.001 0.000 1.804 174 A HN 0.587 nan 8.150 nan 0.000 0.626 175 A N -0.652 122.168 122.820 0.001 0.000 2.313 175 A HA 0.456 4.777 4.320 0.002 0.000 0.261 175 A C 0.330 177.915 177.584 0.001 0.000 1.090 175 A CA -0.208 51.830 52.037 0.001 0.000 0.807 175 A CB -0.179 18.822 19.000 0.001 0.000 1.055 175 A HN 0.715 nan 8.150 nan 0.000 0.492 176 E N -0.255 119.946 120.200 0.001 0.000 2.558 176 E HA 0.247 4.598 4.350 0.002 0.000 0.255 176 E C 1.278 177.879 176.600 0.000 0.000 0.968 176 E CA 1.220 57.620 56.400 0.001 0.000 0.939 176 E CB -0.050 29.651 29.700 0.001 0.000 0.921 176 E HN 1.374 nan 8.360 nan 0.000 0.477 177 G N 3.876 112.676 108.800 0.000 0.000 2.225 177 G HA2 -0.334 3.627 3.960 0.002 0.000 0.254 177 G HA3 -0.334 3.627 3.960 0.002 0.000 0.254 177 G C 0.282 175.181 174.900 -0.000 0.000 0.988 177 G CA 0.448 45.548 45.100 -0.000 0.000 0.625 177 G HN 0.605 nan 8.290 nan 0.000 0.527 178 E N 2.133 122.333 120.200 -0.000 0.000 2.343 178 E HA 0.433 4.784 4.350 0.002 0.000 0.269 178 E C -1.842 174.757 176.600 -0.000 0.000 1.047 178 E CA -1.938 54.462 56.400 -0.000 0.000 0.874 178 E CB 1.315 31.015 29.700 -0.000 0.000 1.033 178 E HN 0.207 nan 8.360 nan 0.000 0.409 179 P HA -0.032 nan 4.420 nan 0.000 0.268 179 P C -1.147 176.153 177.300 -0.001 0.000 1.208 179 P CA -0.073 63.026 63.100 -0.001 0.000 0.777 179 P CB 0.705 32.403 31.700 -0.002 0.000 0.875 180 A N 2.481 125.301 122.820 -0.001 0.000 2.351 180 A HA 0.203 4.524 4.320 0.002 0.000 0.257 180 A C 0.178 177.762 177.584 0.000 0.000 1.087 180 A CA -0.340 51.698 52.037 0.000 0.000 0.798 180 A CB -0.162 18.838 19.000 0.001 0.000 1.033 180 A HN 0.476 nan 8.150 nan 0.000 0.488 181 D N 1.008 121.409 120.400 0.001 0.000 2.225 181 D HA 0.419 5.060 4.640 0.002 0.000 0.248 181 D C -0.745 175.556 176.300 0.002 0.000 1.096 181 D CA 0.208 54.209 54.000 0.002 0.000 0.863 181 D CB 1.618 42.420 40.800 0.003 0.000 1.156 181 D HN 0.134 nan 8.370 nan 0.000 0.450 182 V N 2.615 122.530 119.914 0.001 0.000 2.448 182 V HA 0.176 4.297 4.120 0.002 0.000 0.295 182 V C -0.186 175.910 176.094 0.004 0.000 1.025 182 V CA -0.786 61.514 62.300 0.001 0.000 0.859 182 V CB 2.059 33.880 31.823 -0.004 0.000 0.988 182 V HN 0.416 nan 8.190 nan 0.000 0.431 183 D N 3.976 124.381 120.400 0.007 0.000 2.381 183 D HA 0.364 5.005 4.640 0.002 0.000 0.235 183 D C 0.650 176.959 176.300 0.015 0.000 1.068 183 D CA -0.390 53.618 54.000 0.014 0.000 0.832 183 D CB 1.856 42.666 40.800 0.017 0.000 1.101 183 D HN 0.409 nan 8.370 nan 0.000 0.515 184 L N 3.199 124.434 121.223 0.019 0.000 2.610 184 L HA 0.188 4.529 4.340 0.002 0.000 0.232 184 L C 1.698 178.591 176.870 0.038 0.000 1.149 184 L CA 0.460 55.313 54.840 0.021 0.000 0.872 184 L CB -0.868 41.203 42.059 0.019 0.000 0.992 184 L HN 0.724 nan 8.230 nan 0.000 0.447 185 G N 0.561 109.389 108.800 0.047 0.000 2.527 185 G HA2 -0.424 3.537 3.960 0.002 0.000 0.268 185 G HA3 -0.424 3.537 3.960 0.002 0.000 0.268 185 G C 0.926 175.878 174.900 0.088 0.000 1.175 185 G CA 0.421 45.559 45.100 0.063 0.000 0.962 185 G HN 0.273 nan 8.290 nan 0.000 0.560 186 A N -0.368 122.514 122.820 0.103 0.000 1.940 186 A HA 0.285 4.606 4.320 0.002 0.000 0.219 186 A C 2.845 180.534 177.584 0.175 0.000 1.176 186 A CA 3.405 55.518 52.037 0.128 0.000 0.631 186 A CB -0.914 18.160 19.000 0.123 0.000 0.814 186 A HN 2.357 nan 8.150 nan 0.000 0.446 187 A N -0.396 122.515 122.820 0.152 0.000 2.255 187 A HA 0.112 4.433 4.320 0.002 0.000 0.206 187 A C 0.567 178.226 177.584 0.125 0.000 1.193 187 A CA -0.009 52.139 52.037 0.185 0.000 0.794 187 A CB -0.265 18.828 19.000 0.155 0.000 0.794 187 A HN 0.419 nan 8.150 nan 0.000 0.481 188 E N -0.144 120.135 120.200 0.132 0.000 2.415 188 E HA 0.253 4.604 4.350 0.002 0.000 0.260 188 E C 1.177 177.862 176.600 0.143 0.000 1.016 188 E CA 1.093 57.557 56.400 0.107 0.000 0.924 188 E CB 0.288 30.051 29.700 0.104 0.000 0.961 188 E HN 0.674 nan 8.360 nan 0.000 0.459 189 G N 3.339 112.167 108.800 0.047 0.000 2.159 189 G HA2 -0.353 3.608 3.960 0.002 0.000 0.256 189 G HA3 -0.353 3.608 3.960 0.002 0.000 0.256 189 G C 0.386 175.166 174.900 -0.201 0.000 0.977 189 G CA 0.643 45.751 45.100 0.014 0.000 0.652 189 G HN 0.606 nan 8.290 nan 0.000 0.531 190 Y N -0.022 120.047 120.300 -0.384 0.000 2.784 190 Y HA 0.692 5.243 4.550 0.002 0.000 0.267 190 Y C 1.372 177.156 175.900 -0.194 0.000 1.117 190 Y CA 1.191 59.031 58.100 -0.433 0.000 1.231 190 Y CB 0.155 38.292 38.460 -0.539 0.000 1.441 190 Y HN 0.726 nan 8.280 nan 0.000 0.469 191 A N 1.753 124.379 122.820 -0.323 0.000 2.312 191 A HA 0.490 4.811 4.320 0.002 0.000 0.328 191 A C -0.352 177.115 177.584 -0.195 0.000 1.158 191 A CA -0.683 51.148 52.037 -0.344 0.000 0.821 191 A CB 0.489 19.374 19.000 -0.192 0.000 1.170 191 A HN 0.342 nan 8.150 nan 0.000 0.490 192 E N -0.019 120.074 120.200 -0.178 0.000 2.392 192 E HA 0.293 4.644 4.350 0.002 0.000 0.259 192 E C -1.194 175.357 176.600 -0.082 0.000 1.108 192 E CA -0.313 56.019 56.400 -0.113 0.000 0.916 192 E CB 1.275 30.914 29.700 -0.102 0.000 0.989 192 E HN 0.444 nan 8.360 nan 0.000 0.432 193 L N 1.874 123.061 121.223 -0.058 0.000 2.376 193 L HA 0.281 4.622 4.340 0.002 0.000 0.275 193 L C -1.083 175.765 176.870 -0.036 0.000 0.987 193 L CA -0.373 54.441 54.840 -0.044 0.000 0.828 193 L CB 1.581 43.621 42.059 -0.031 0.000 1.249 193 L HN 0.249 nan 8.230 nan 0.000 0.409 194 D N 3.438 123.817 120.400 -0.034 0.000 2.485 194 D HA 0.178 4.819 4.640 0.002 0.000 0.256 194 D C -0.859 175.427 176.300 -0.022 0.000 1.141 194 D CA -0.228 53.756 54.000 -0.028 0.000 0.942 194 D CB 0.381 41.163 40.800 -0.029 0.000 1.003 194 D HN 0.515 nan 8.370 nan 0.000 0.507 195 N N 2.583 121.272 118.700 -0.018 0.000 2.469 195 N HA 0.171 4.912 4.740 0.002 0.000 0.239 195 N C 0.017 175.521 175.510 -0.011 0.000 1.053 195 N CA -0.114 52.928 53.050 -0.013 0.000 0.937 195 N CB 0.354 38.834 38.487 -0.011 0.000 1.163 195 N HN 0.251 nan 8.380 nan 0.000 0.509 196 R N 1.758 122.252 120.500 -0.010 0.000 2.577 196 R HA 0.363 4.704 4.340 0.002 0.000 0.344 196 R C -0.097 176.200 176.300 -0.005 0.000 1.037 196 R CA -0.412 55.684 56.100 -0.008 0.000 1.102 196 R CB 0.697 30.992 30.300 -0.008 0.000 1.313 196 R HN 0.478 nan 8.270 nan 0.000 0.561 197 A N 0.773 123.591 122.820 -0.004 0.000 2.322 197 A HA 0.464 4.785 4.320 0.002 0.000 0.269 197 A C -0.209 177.374 177.584 -0.002 0.000 1.094 197 A CA -0.271 51.765 52.037 -0.002 0.000 0.807 197 A CB 1.077 20.076 19.000 -0.001 0.000 1.047 197 A HN 0.069 nan 8.150 nan 0.000 0.487 198 V N 0.657 120.571 119.914 -0.000 0.000 3.113 198 V HA 0.688 4.809 4.120 0.002 0.000 0.316 198 V C -0.017 176.078 176.094 0.001 0.000 1.125 198 V CA -0.389 61.911 62.300 -0.000 0.000 1.026 198 V CB 2.490 34.312 31.823 -0.000 0.000 1.080 198 V HN 0.942 nan 8.190 nan 0.000 0.444 199 T N 3.526 118.080 114.554 0.001 0.000 2.749 199 T HA 0.644 4.995 4.350 0.002 0.000 0.287 199 T C 0.147 174.848 174.700 0.001 0.000 0.970 199 T CA 0.280 62.381 62.100 0.001 0.000 0.980 199 T CB 0.940 69.808 68.868 0.001 0.000 0.924 199 T HN 1.073 nan 8.240 nan 0.000 0.456 200 G N 1.427 110.228 108.800 0.002 0.000 2.511 200 G HA2 0.652 4.613 3.960 0.002 0.000 0.316 200 G HA3 0.652 4.613 3.960 0.002 0.000 0.316 200 G C -0.003 174.898 174.900 0.001 0.000 1.210 200 G CA -0.916 44.184 45.100 0.001 0.000 0.969 200 G HN 0.973 nan 8.290 nan 0.000 0.492 201 A N -0.632 122.188 122.820 0.001 0.000 2.586 201 A HA 0.479 4.800 4.320 0.002 0.000 0.231 201 A C 1.108 178.693 177.584 0.001 0.000 1.055 201 A CA 0.597 52.635 52.037 0.001 0.000 0.756 201 A CB -0.326 18.675 19.000 0.001 0.000 0.988 201 A HN 1.961 nan 8.150 nan 0.000 0.509 202 A N 1.069 123.890 122.820 0.002 0.000 2.488 202 A HA 0.511 4.832 4.320 0.002 0.000 0.249 202 A C 1.587 179.172 177.584 0.002 0.000 1.083 202 A CA 0.718 52.756 52.037 0.002 0.000 0.768 202 A CB -0.715 18.286 19.000 0.002 0.000 1.017 202 A HN 2.792 nan 8.150 nan 0.000 0.496 203 G N 1.616 110.417 108.800 0.002 0.000 2.157 203 G HA2 -0.166 3.795 3.960 0.002 0.000 0.239 203 G HA3 -0.166 3.795 3.960 0.002 0.000 0.239 203 G C 0.508 175.409 174.900 0.002 0.000 0.982 203 G CA 0.703 45.805 45.100 0.002 0.000 0.650 203 G HN 1.986 nan 8.290 nan 0.000 0.527 204 S N -0.150 115.551 115.700 0.002 0.000 2.681 204 S HA 0.830 5.301 4.470 0.002 0.000 0.270 204 S C 0.726 175.327 174.600 0.002 0.000 1.209 204 S CA 0.257 58.458 58.200 0.002 0.000 0.988 204 S CB 1.873 65.074 63.200 0.002 0.000 1.006 204 S HN 1.884 nan 8.310 nan 0.000 0.558 205 A N 1.496 124.317 122.820 0.002 0.000 2.462 205 A HA 0.287 4.608 4.320 0.002 0.000 0.243 205 A C 0.475 178.061 177.584 0.004 0.000 1.076 205 A CA -0.429 51.609 52.037 0.003 0.000 0.773 205 A CB -0.464 18.538 19.000 0.002 0.000 1.010 205 A HN 0.800 nan 8.150 nan 0.000 0.493 206 N N 1.800 120.502 118.700 0.004 0.000 2.437 206 N HA 0.124 4.865 4.740 0.002 0.000 0.243 206 N C 0.462 175.976 175.510 0.007 0.000 1.041 206 N CA 0.471 53.524 53.050 0.006 0.000 0.940 206 N CB 0.730 39.221 38.487 0.006 0.000 1.133 206 N HN 0.618 nan 8.380 nan 0.000 0.506 207 T N 1.254 115.812 114.554 0.007 0.000 3.215 207 T HA 0.167 4.518 4.350 0.002 0.000 0.271 207 T C 0.687 175.393 174.700 0.011 0.000 1.012 207 T CA -0.557 61.548 62.100 0.008 0.000 0.899 207 T CB -0.296 68.576 68.868 0.006 0.000 1.089 207 T HN 0.270 nan 8.240 nan 0.000 0.552 208 L N 2.641 123.871 121.223 0.011 0.000 2.513 208 L HA 0.385 4.726 4.340 0.002 0.000 0.272 208 L C -0.582 176.299 176.870 0.019 0.000 1.187 208 L CA 0.307 55.155 54.840 0.012 0.000 0.895 208 L CB 0.531 42.597 42.059 0.011 0.000 1.147 208 L HN 0.162 nan 8.230 nan 0.000 0.483 209 V N 7.083 127.009 119.914 0.019 0.000 2.487 209 V HA 0.450 4.571 4.120 0.002 0.000 0.298 209 V C -0.079 176.027 176.094 0.020 0.000 1.028 209 V CA -0.491 61.826 62.300 0.029 0.000 0.860 209 V CB 1.686 33.526 31.823 0.028 0.000 0.991 209 V HN 0.548 nan 8.190 nan 0.000 0.427 210 I N 4.192 124.779 120.570 0.027 0.000 2.382 210 I HA 0.533 4.704 4.170 0.002 0.000 0.285 210 I C -0.660 175.445 176.117 -0.021 0.000 1.007 210 I CA -0.088 61.213 61.300 0.001 0.000 1.142 210 I CB 1.679 39.679 38.000 0.001 0.000 1.289 210 I HN 0.627 nan 8.210 nan 0.000 0.453 211 D N 5.021 125.391 120.400 -0.050 0.000 2.566 211 D HA 0.507 5.148 4.640 0.002 0.000 0.254 211 D C -0.877 175.352 176.300 -0.120 0.000 1.090 211 D CA -0.766 53.175 54.000 -0.098 0.000 1.034 211 D CB 2.121 42.893 40.800 -0.046 0.000 1.434 211 D HN 0.409 nan 8.370 nan 0.000 0.509 212 R N 1.356 121.764 120.500 -0.154 0.000 2.521 212 R HA 0.448 4.789 4.340 0.002 0.000 0.295 212 R C -2.677 173.565 176.300 -0.097 0.000 1.183 212 R CA -1.638 54.387 56.100 -0.125 0.000 0.957 212 R CB 1.429 31.641 30.300 -0.148 0.000 1.171 212 R HN 0.235 nan 8.270 nan 0.000 0.494 213 P HA -0.134 nan 4.420 nan 0.000 0.265 213 P C -0.172 177.107 177.300 -0.035 0.000 1.187 213 P CA -0.163 62.911 63.100 -0.042 0.000 0.766 213 P CB 0.696 32.375 31.700 -0.035 0.000 0.820 214 V N 4.018 123.922 119.914 -0.017 0.000 2.843 214 V HA 0.123 4.244 4.120 0.002 0.000 0.305 214 V C 1.436 177.528 176.094 -0.004 0.000 1.120 214 V CA 1.631 63.930 62.300 -0.002 0.000 1.254 214 V CB -0.620 31.211 31.823 0.014 0.000 0.901 214 V HN 0.991 nan 8.190 nan 0.000 0.503 215 G N 3.880 112.683 108.800 0.005 0.000 2.296 215 G HA2 -0.233 3.728 3.960 0.002 0.000 0.282 215 G HA3 -0.233 3.728 3.960 0.002 0.000 0.282 215 G C 0.281 175.173 174.900 -0.013 0.000 1.014 215 G CA 1.109 46.211 45.100 0.003 0.000 0.812 215 G HN 1.925 nan 8.290 nan 0.000 0.508 216 T N -3.829 110.708 114.554 -0.027 0.000 2.887 216 T HA 0.632 4.983 4.350 0.002 0.000 0.292 216 T C -0.105 174.556 174.700 -0.065 0.000 1.087 216 T CA -0.289 61.783 62.100 -0.046 0.000 1.009 216 T CB 2.155 70.994 68.868 -0.049 0.000 1.203 216 T HN 0.208 nan 8.240 nan 0.000 0.518 217 N N 0.131 118.772 118.700 -0.099 0.000 2.541 217 N HA 0.321 5.062 4.740 0.002 0.000 0.297 217 N C -1.109 174.307 175.510 -0.157 0.000 1.503 217 N CA -0.319 52.643 53.050 -0.146 0.000 0.919 217 N CB 0.517 38.864 38.487 -0.233 0.000 1.305 217 N HN 0.701 nan 8.380 nan 0.000 0.501 218 T N 0.761 115.249 114.554 -0.110 0.000 2.829 218 T HA 0.417 4.768 4.350 0.002 0.000 0.280 218 T C -0.319 174.332 174.700 -0.082 0.000 0.999 218 T CA -0.499 61.543 62.100 -0.096 0.000 0.983 218 T CB 1.218 70.041 68.868 -0.076 0.000 0.968 218 T HN -0.029 nan 8.240 nan 0.000 0.446 219 I N 3.192 123.717 120.570 -0.075 0.000 2.307 219 I HA 0.469 4.640 4.170 0.002 0.000 0.289 219 I C 0.499 176.585 176.117 -0.051 0.000 1.021 219 I CA -0.901 60.360 61.300 -0.065 0.000 1.224 219 I CB 0.318 38.284 38.000 -0.056 0.000 1.376 219 I HN 0.687 nan 8.210 nan 0.000 0.470 220 A N 7.293 130.084 122.820 -0.049 0.000 2.292 220 A HA 0.725 5.046 4.320 0.002 0.000 0.319 220 A C -0.402 177.165 177.584 -0.027 0.000 1.206 220 A CA -0.445 51.571 52.037 -0.035 0.000 0.835 220 A CB 0.934 19.914 19.000 -0.033 0.000 1.164 220 A HN 0.426 nan 8.150 nan 0.000 0.505 221 V N 2.869 122.771 119.914 -0.020 0.000 2.448 221 V HA 0.715 4.836 4.120 0.002 0.000 0.295 221 V C 0.394 176.484 176.094 -0.007 0.000 1.025 221 V CA -0.027 62.266 62.300 -0.012 0.000 0.859 221 V CB 1.225 33.042 31.823 -0.010 0.000 0.988 221 V HN 1.166 nan 8.190 nan 0.000 0.431 222 T N 0.696 115.248 114.554 -0.002 0.000 2.716 222 T HA 0.956 5.307 4.350 0.002 0.000 0.286 222 T C 0.199 174.901 174.700 0.003 0.000 1.052 222 T CA -0.158 61.942 62.100 -0.000 0.000 1.024 222 T CB 1.677 70.545 68.868 -0.000 0.000 1.349 222 T HN 2.042 nan 8.240 nan 0.000 0.525 223 G N 0.232 109.034 108.800 0.003 0.000 2.698 223 G HA2 0.216 4.177 3.960 0.002 0.000 0.225 223 G HA3 0.216 4.177 3.960 0.002 0.000 0.225 223 G C -0.304 174.598 174.900 0.003 0.000 1.345 223 G CA -0.149 44.953 45.100 0.004 0.000 0.871 223 G HN 1.625 nan 8.290 nan 0.000 0.540 224 S N -1.269 114.433 115.700 0.004 0.000 2.500 224 S HA 0.713 5.184 4.470 0.002 0.000 0.301 224 S C -0.769 173.833 174.600 0.004 0.000 1.092 224 S CA -0.343 57.859 58.200 0.003 0.000 1.030 224 S CB 1.434 64.635 63.200 0.002 0.000 1.031 224 S HN 1.736 nan 8.310 nan 0.000 0.483 225 L N 6.571 127.796 121.223 0.004 0.000 2.333 225 L HA 0.692 5.033 4.340 0.002 0.000 0.280 225 L C -2.398 174.475 176.870 0.003 0.000 1.004 225 L CA -1.902 52.941 54.840 0.004 0.000 0.820 225 L CB 1.829 43.891 42.059 0.004 0.000 1.247 225 L HN 0.455 nan 8.230 nan 0.000 0.416 226 P HA 0.035 nan 4.420 nan 0.000 0.269 226 P C -0.002 177.299 177.300 0.003 0.000 1.215 226 P CA -0.033 63.069 63.100 0.003 0.000 0.780 226 P CB 0.929 32.631 31.700 0.003 0.000 0.898 227 A N 2.682 125.503 122.820 0.002 0.000 2.070 227 A HA -0.160 4.161 4.320 0.002 0.000 0.220 227 A C 1.386 178.972 177.584 0.003 0.000 1.159 227 A CA 1.782 53.820 52.037 0.002 0.000 0.656 227 A CB -0.966 18.035 19.000 0.002 0.000 0.800 227 A HN 0.672 nan 8.150 nan 0.000 0.453 228 D N -0.603 119.799 120.400 0.003 0.000 2.368 228 D HA 0.391 5.032 4.640 0.002 0.000 0.218 228 D C 0.461 176.763 176.300 0.004 0.000 1.112 228 D CA 0.458 54.460 54.000 0.003 0.000 0.834 228 D CB -0.334 40.468 40.800 0.003 0.000 0.953 228 D HN 0.301 nan 8.370 nan 0.000 0.505 229 A N 0.482 123.304 122.820 0.004 0.000 2.340 229 A HA 0.623 4.944 4.320 0.002 0.000 0.268 229 A C 0.560 178.147 177.584 0.005 0.000 1.100 229 A CA -0.194 51.845 52.037 0.004 0.000 0.803 229 A CB 0.655 19.658 19.000 0.005 0.000 1.043 229 A HN 0.341 nan 8.150 nan 0.000 0.488 230 A N 2.491 125.314 122.820 0.005 0.000 2.332 230 A HA 0.625 4.946 4.320 0.002 0.000 0.258 230 A C -2.232 175.356 177.584 0.007 0.000 1.087 230 A CA -1.275 50.766 52.037 0.006 0.000 0.802 230 A CB -0.719 18.285 19.000 0.006 0.000 1.042 230 A HN 0.663 nan 8.150 nan 0.000 0.489 231 P HA 0.225 nan 4.420 nan 0.000 0.268 231 P C -0.807 176.498 177.300 0.008 0.000 1.208 231 P CA -0.074 63.031 63.100 0.008 0.000 0.777 231 P CB 0.435 32.140 31.700 0.009 0.000 0.875 232 V N 3.048 122.967 119.914 0.008 0.000 2.427 232 V HA 0.382 4.503 4.120 0.002 0.000 0.286 232 V C 0.077 176.176 176.094 0.008 0.000 1.034 232 V CA 0.109 62.414 62.300 0.009 0.000 0.893 232 V CB 1.640 33.469 31.823 0.010 0.000 0.982 232 V HN 0.549 nan 8.190 nan 0.000 0.452 233 T N 4.482 119.040 114.554 0.007 0.000 2.890 233 T HA 0.748 5.099 4.350 0.002 0.000 0.295 233 T C -0.399 174.299 174.700 -0.003 0.000 0.993 233 T CA -0.308 61.794 62.100 0.003 0.000 0.979 233 T CB 1.458 70.331 68.868 0.008 0.000 0.967 233 T HN 0.909 nan 8.240 nan 0.000 0.441 234 A N 3.363 126.176 122.820 -0.011 0.000 2.454 234 A HA 0.873 5.194 4.320 0.002 0.000 0.302 234 A C -0.978 176.576 177.584 -0.048 0.000 1.079 234 A CA -0.799 51.230 52.037 -0.012 0.000 0.731 234 A CB 1.162 20.173 19.000 0.018 0.000 1.299 234 A HN 0.803 nan 8.150 nan 0.000 0.413 235 L N 2.383 123.570 121.223 -0.061 0.000 2.276 235 L HA 0.546 4.887 4.340 0.002 0.000 0.286 235 L C -0.016 176.811 176.870 -0.072 0.000 1.061 235 L CA -0.590 54.182 54.840 -0.113 0.000 0.807 235 L CB 0.756 42.726 42.059 -0.148 0.000 1.177 235 L HN 0.614 nan 8.230 nan 0.000 0.429 236 R N 1.122 121.566 120.500 -0.093 0.000 2.686 236 R HA 0.433 4.774 4.340 0.002 0.000 0.283 236 R C -0.301 175.943 176.300 -0.093 0.000 0.978 236 R CA -0.717 55.313 56.100 -0.117 0.000 0.897 236 R CB 2.132 32.357 30.300 -0.125 0.000 1.192 236 R HN 0.700 nan 8.270 nan 0.000 0.457 237 T N -1.672 112.815 114.554 -0.113 0.000 2.828 237 T HA 0.488 4.839 4.350 0.002 0.000 0.290 237 T C 0.726 175.412 174.700 -0.024 0.000 1.019 237 T CA -0.567 61.501 62.100 -0.053 0.000 1.031 237 T CB 0.839 69.671 68.868 -0.060 0.000 1.001 237 T HN 0.373 nan 8.240 nan 0.000 0.531 238 V N -1.620 118.316 119.914 0.037 0.000 3.074 238 V HA 0.693 4.814 4.120 0.002 0.000 0.314 238 V C -0.815 175.333 176.094 0.090 0.000 1.117 238 V CA -1.319 61.025 62.300 0.073 0.000 1.014 238 V CB 1.730 33.678 31.823 0.208 0.000 1.057 238 V HN 0.967 nan 8.190 nan 0.000 0.438 239 D N 1.514 121.960 120.400 0.076 0.000 2.277 239 D HA 0.357 4.998 4.640 0.002 0.000 0.249 239 D C -0.244 176.158 176.300 0.171 0.000 1.134 239 D CA 0.612 54.663 54.000 0.086 0.000 0.863 239 D CB 0.431 41.248 40.800 0.028 0.000 1.143 239 D HN 0.790 nan 8.370 nan 0.000 0.458 240 E N 2.701 122.994 120.200 0.155 0.000 2.987 240 E HA -0.119 4.232 4.350 0.002 0.000 0.173 240 E C -2.006 174.684 176.600 0.151 0.000 1.485 240 E CA 0.021 56.518 56.400 0.162 0.000 0.733 240 E CB -1.030 28.781 29.700 0.186 0.000 1.105 240 E HN 0.489 nan 8.360 nan 0.000 0.390 241 P HA -0.241 nan 4.420 nan 0.000 0.216 241 P C 1.443 178.759 177.300 0.027 0.000 1.157 241 P CA 2.479 65.626 63.100 0.080 0.000 0.880 241 P CB 0.152 31.908 31.700 0.092 0.000 0.791 242 A N -0.004 122.839 122.820 0.039 0.000 1.883 242 A HA -0.176 4.145 4.320 0.002 0.000 0.217 242 A C 2.338 179.908 177.584 -0.023 0.000 1.186 242 A CA 2.316 54.362 52.037 0.015 0.000 0.624 242 A CB -1.692 17.332 19.000 0.041 0.000 0.822 242 A HN 0.209 nan 8.150 nan 0.000 0.444 243 A N -0.969 121.842 122.820 -0.015 0.000 2.070 243 A HA 0.011 4.332 4.320 0.002 0.000 0.220 243 A C 2.063 179.410 177.584 -0.396 0.000 1.159 243 A CA 1.691 53.684 52.037 -0.073 0.000 0.656 243 A CB -0.442 18.618 19.000 0.100 0.000 0.800 243 A HN 0.718 nan 8.150 nan 0.000 0.453 244 L N -0.888 120.039 121.223 -0.494 0.000 2.162 244 L HA 0.212 4.553 4.340 0.002 0.000 0.205 244 L C 2.521 179.263 176.870 -0.215 0.000 1.086 244 L CA 1.819 56.261 54.840 -0.664 0.000 0.778 244 L CB -0.760 41.076 42.059 -0.372 0.000 0.928 244 L HN 0.262 nan 8.230 nan 0.000 0.446 245 A N -0.334 122.420 122.820 -0.109 0.000 1.933 245 A HA -0.034 4.287 4.320 0.002 0.000 0.218 245 A C 2.279 179.868 177.584 0.008 0.000 1.175 245 A CA 1.435 53.454 52.037 -0.030 0.000 0.628 245 A CB -1.464 17.518 19.000 -0.029 0.000 0.814 245 A HN 0.513 nan 8.150 nan 0.000 0.444 246 G N -1.467 107.320 108.800 -0.021 0.000 2.403 246 G HA2 -0.215 3.745 3.960 0.002 0.000 0.216 246 G HA3 -0.215 3.745 3.960 0.002 0.000 0.216 246 G C 1.478 176.397 174.900 0.031 0.000 1.154 246 G CA 1.305 46.421 45.100 0.026 0.000 0.784 246 G HN 0.742 nan 8.290 nan 0.000 0.538 247 H N 0.424 119.411 119.070 -0.139 0.000 2.326 247 H HA 0.127 4.684 4.556 0.002 0.000 0.301 247 H C 2.457 177.751 175.328 -0.058 0.000 1.081 247 H CA 1.314 57.290 56.048 -0.120 0.000 1.334 247 H CB -0.248 29.374 29.762 -0.233 0.000 1.385 247 H HN 0.261 nan 8.280 nan 0.000 0.504 248 L N -1.022 120.136 121.223 -0.109 0.000 1.976 248 L HA -0.141 4.200 4.340 0.002 0.000 0.209 248 L C 2.221 179.048 176.870 -0.071 0.000 1.071 248 L CA 1.436 56.206 54.840 -0.115 0.000 0.746 248 L CB -0.644 41.418 42.059 0.005 0.000 0.890 248 L HN 0.260 nan 8.230 nan 0.000 0.432 249 F N 0.895 120.775 119.950 -0.116 0.000 2.287 249 F HA -0.239 4.289 4.527 0.001 0.000 0.301 249 F C 2.564 178.304 175.800 -0.100 0.000 1.069 249 F CA 1.520 59.465 58.000 -0.091 0.000 1.372 249 F CB -0.232 38.729 39.000 -0.065 0.000 1.056 249 F HN 0.150 nan 8.300 nan 0.000 0.523 250 E N 0.533 120.629 120.200 -0.174 0.000 2.107 250 E HA -0.182 4.169 4.350 0.002 0.000 0.191 250 E C 1.917 178.348 176.600 -0.282 0.000 0.982 250 E CA 1.301 57.558 56.400 -0.238 0.000 0.809 250 E CB -0.125 29.490 29.700 -0.141 0.000 0.756 250 E HN 0.604 nan 8.360 nan 0.000 0.459 251 E N 0.233 120.260 120.200 -0.287 0.000 2.107 251 E HA -0.104 4.247 4.350 0.002 0.000 0.191 251 E C 2.062 178.530 176.600 -0.220 0.000 0.982 251 E CA 0.735 56.988 56.400 -0.245 0.000 0.809 251 E CB -0.067 29.478 29.700 -0.258 0.000 0.756 251 E HN 0.250 nan 8.360 nan 0.000 0.459 252 A N 1.659 124.326 122.820 -0.255 0.000 1.877 252 A HA -0.172 4.149 4.320 0.002 0.000 0.216 252 A C 2.237 179.642 177.584 -0.299 0.000 1.186 252 A CA 1.100 52.992 52.037 -0.242 0.000 0.620 252 A CB -0.756 18.116 19.000 -0.214 0.000 0.822 252 A HN 0.131 nan 8.150 nan 0.000 0.443 253 L N -0.968 119.974 121.223 -0.468 0.000 2.127 253 L HA -0.214 4.127 4.340 0.002 0.000 0.211 253 L C 2.612 179.352 176.870 -0.216 0.000 1.089 253 L CA 1.633 56.244 54.840 -0.382 0.000 0.757 253 L CB -0.452 41.343 42.059 -0.440 0.000 0.899 253 L HN 0.362 nan 8.230 nan 0.000 0.434 254 E N -0.083 120.000 120.200 -0.195 0.000 2.106 254 E HA -0.131 4.220 4.350 0.002 0.000 0.192 254 E C 2.235 178.773 176.600 -0.103 0.000 0.984 254 E CA 1.098 57.420 56.400 -0.130 0.000 0.806 254 E CB 0.024 29.651 29.700 -0.121 0.000 0.750 254 E HN 0.237 nan 8.360 nan 0.000 0.458 255 S N 0.338 115.972 115.700 -0.110 0.000 2.522 255 S HA 0.055 4.526 4.470 0.002 0.000 0.227 255 S C 0.812 175.370 174.600 -0.070 0.000 0.986 255 S CA 0.260 58.412 58.200 -0.080 0.000 0.929 255 S CB -0.027 63.128 63.200 -0.075 0.000 0.769 255 S HN 0.261 nan 8.310 nan 0.000 0.529 256 N N 0.496 119.144 118.700 -0.088 0.000 2.328 256 N HA 0.214 4.955 4.740 0.002 0.000 0.247 256 N C 1.036 176.509 175.510 -0.061 0.000 1.165 256 N CA 0.551 53.560 53.050 -0.068 0.000 0.873 256 N CB 1.056 39.499 38.487 -0.074 0.000 1.125 256 N HN 0.444 nan 8.380 nan 0.000 0.513 257 G N 0.117 108.881 108.800 -0.060 0.000 2.234 257 G HA2 -0.307 3.654 3.960 0.002 0.000 0.260 257 G HA3 -0.307 3.654 3.960 0.002 0.000 0.260 257 G C 0.255 175.123 174.900 -0.053 0.000 0.987 257 G CA 0.346 45.416 45.100 -0.049 0.000 0.625 257 G HN 0.222 nan 8.290 nan 0.000 0.532 258 V N 1.767 121.637 119.914 -0.072 0.000 2.686 258 V HA 0.525 4.646 4.120 0.002 0.000 0.295 258 V C 0.778 176.827 176.094 -0.075 0.000 1.055 258 V CA 0.625 62.883 62.300 -0.071 0.000 1.050 258 V CB 1.437 33.204 31.823 -0.094 0.000 0.984 258 V HN 0.313 nan 8.190 nan 0.000 0.482 259 T N 4.096 118.618 114.554 -0.054 0.000 2.797 259 T HA 0.552 4.903 4.350 0.002 0.000 0.279 259 T C -0.420 174.253 174.700 -0.046 0.000 0.991 259 T CA -0.381 61.689 62.100 -0.049 0.000 0.979 259 T CB 1.604 70.452 68.868 -0.033 0.000 0.943 259 T HN 0.377 nan 8.240 nan 0.000 0.444 260 V N 4.936 124.818 119.914 -0.053 0.000 2.350 260 V HA 0.302 4.423 4.120 0.002 0.000 0.285 260 V C 0.877 176.949 176.094 -0.036 0.000 1.014 260 V CA -0.698 61.574 62.300 -0.047 0.000 0.831 260 V CB 1.454 33.236 31.823 -0.067 0.000 1.000 260 V HN 0.799 nan 8.190 nan 0.000 0.433 261 K N 2.873 123.259 120.400 -0.024 0.000 2.211 261 K HA 0.174 4.495 4.320 0.002 0.000 0.201 261 K C 1.305 177.893 176.600 -0.020 0.000 1.052 261 K CA 0.726 57.003 56.287 -0.017 0.000 0.973 261 K CB 0.379 32.875 32.500 -0.007 0.000 0.766 261 K HN 0.720 nan 8.250 nan 0.000 0.466 262 G N 1.642 110.426 108.800 -0.027 0.000 2.468 262 G HA2 0.062 4.023 3.960 0.002 0.000 0.264 262 G HA3 0.062 4.023 3.960 0.002 0.000 0.264 262 G C -0.244 174.617 174.900 -0.064 0.000 1.460 262 G CA -0.287 44.788 45.100 -0.042 0.000 1.060 262 G HN 0.025 nan 8.290 nan 0.000 0.543 263 D N -1.699 118.637 120.400 -0.106 0.000 2.467 263 D HA 0.501 5.142 4.640 0.002 0.000 0.245 263 D C -0.595 175.595 176.300 -0.184 0.000 1.038 263 D CA -0.270 53.664 54.000 -0.110 0.000 1.038 263 D CB 2.061 42.805 40.800 -0.093 0.000 1.278 263 D HN 0.085 nan 8.370 nan 0.000 0.564 264 V N 0.042 119.877 119.914 -0.131 0.000 2.459 264 V HA 0.786 4.907 4.120 0.002 0.000 0.295 264 V C 0.633 176.645 176.094 -0.136 0.000 1.029 264 V CA -0.309 61.904 62.300 -0.146 0.000 0.874 264 V CB 1.309 33.111 31.823 -0.035 0.000 0.985 264 V HN 0.764 nan 8.190 nan 0.000 0.438 265 G N 3.341 112.017 108.800 -0.205 0.000 2.682 265 G HA2 0.677 4.638 3.960 0.002 0.000 0.303 265 G HA3 0.677 4.638 3.960 0.002 0.000 0.303 265 G C -1.680 173.238 174.900 0.031 0.000 1.341 265 G CA -0.874 44.179 45.100 -0.078 0.000 0.784 265 G HN 0.551 nan 8.290 nan 0.000 0.497 266 L N 0.022 121.324 121.223 0.131 0.000 2.343 266 L HA 0.813 5.154 4.340 0.002 0.000 0.275 266 L C 0.620 177.659 176.870 0.282 0.000 1.056 266 L CA -0.268 54.676 54.840 0.174 0.000 0.804 266 L CB 1.787 43.921 42.059 0.124 0.000 1.203 266 L HN 1.061 nan 8.230 nan 0.000 0.440 267 G N 0.579 109.520 108.800 0.235 0.000 2.386 267 G HA2 0.419 4.380 3.960 0.002 0.000 0.302 267 G HA3 0.419 4.380 3.960 0.002 0.000 0.302 267 G C -1.127 173.887 174.900 0.190 0.000 1.629 267 G CA -0.339 44.857 45.100 0.159 0.000 0.917 267 G HN 0.824 nan 8.290 nan 0.000 0.676 268 G N -0.682 108.144 108.800 0.043 0.000 2.437 268 G HA2 0.657 4.618 3.960 0.002 0.000 0.319 268 G HA3 0.657 4.618 3.960 0.002 0.000 0.319 268 G C 0.338 174.973 174.900 -0.441 0.000 1.158 268 G CA -0.447 44.611 45.100 -0.071 0.000 0.899 268 G HN 1.277 nan 8.290 nan 0.000 0.502 269 V N 2.429 121.908 119.914 -0.725 0.000 2.720 269 V HA -0.025 4.096 4.120 0.002 0.000 0.307 269 V C -0.772 174.750 176.094 -0.952 0.000 1.071 269 V CA -0.300 61.212 62.300 -1.313 0.000 1.199 269 V CB 1.152 32.506 31.823 -0.781 0.000 0.900 269 V HN 0.652 nan 8.190 nan 0.000 0.494 270 P HA -0.256 nan 4.420 nan 0.000 0.218 270 P C 1.244 178.309 177.300 -0.391 0.000 1.147 270 P CA 2.001 64.650 63.100 -0.751 0.000 0.827 270 P CB 0.030 31.129 31.700 -1.001 0.000 0.778 271 A N -0.429 122.195 122.820 -0.326 0.000 3.870 271 A HA -0.385 3.936 4.320 0.002 0.000 0.246 271 A C 1.696 179.269 177.584 -0.018 0.000 0.669 271 A CA 2.138 54.102 52.037 -0.122 0.000 1.221 271 A CB -2.766 16.167 19.000 -0.112 0.000 1.199 271 A HN 0.460 nan 8.150 nan 0.000 0.685 272 D N -1.796 118.593 120.400 -0.018 0.000 2.348 272 D HA -0.027 4.614 4.640 0.002 0.000 0.216 272 D C 0.432 176.860 176.300 0.212 0.000 0.970 272 D CA 0.715 54.760 54.000 0.074 0.000 0.889 272 D CB -0.192 40.647 40.800 0.065 0.000 0.912 272 D HN 0.591 nan 8.370 nan 0.000 0.524 273 W N 2.554 123.817 121.300 -0.061 0.000 2.605 273 W HA 0.195 4.856 4.660 0.001 0.000 0.327 273 W C 1.158 177.652 176.519 -0.042 0.000 1.332 273 W CA -0.831 56.482 57.345 -0.053 0.000 1.403 273 W CB 0.357 29.768 29.460 -0.083 0.000 1.452 273 W HN 0.064 nan 8.180 nan 0.000 0.503 274 Q N 1.108 120.985 119.800 0.128 0.000 2.061 274 Q HA -0.174 4.167 4.340 0.002 0.000 0.204 274 Q C 0.109 176.138 176.000 0.049 0.000 0.984 274 Q CA 1.534 57.375 55.803 0.063 0.000 0.846 274 Q CB -0.046 28.707 28.738 0.024 0.000 0.902 274 Q HN 0.363 nan 8.270 nan 0.000 0.421 275 D N -0.984 119.429 120.400 0.022 0.000 2.575 275 D HA 0.458 5.099 4.640 0.002 0.000 0.250 275 D C -1.597 174.698 176.300 -0.008 0.000 1.279 275 D CA -0.278 53.728 54.000 0.010 0.000 0.925 275 D CB 1.174 41.965 40.800 -0.016 0.000 1.261 275 D HN 0.092 nan 8.370 nan 0.000 0.567 276 A N 3.199 126.054 122.820 0.059 0.000 2.309 276 A HA 0.527 4.848 4.320 0.002 0.000 0.298 276 A C 0.069 177.675 177.584 0.037 0.000 1.165 276 A CA -0.547 51.544 52.037 0.090 0.000 0.821 276 A CB 0.833 19.985 19.000 0.252 0.000 1.102 276 A HN 0.492 nan 8.150 nan 0.000 0.500 277 E N 2.173 122.376 120.200 0.005 0.000 2.115 277 E HA 0.425 4.776 4.350 0.002 0.000 0.282 277 E C -1.042 175.587 176.600 0.048 0.000 0.987 277 E CA -0.294 56.110 56.400 0.007 0.000 0.797 277 E CB 0.945 30.628 29.700 -0.028 0.000 1.086 277 E HN 0.327 nan 8.360 nan 0.000 0.397 278 V N 7.640 127.578 119.914 0.040 0.000 2.405 278 V HA 0.046 4.167 4.120 0.002 0.000 0.264 278 V C 1.126 177.245 176.094 0.042 0.000 1.048 278 V CA 0.130 62.457 62.300 0.045 0.000 0.966 278 V CB 0.437 32.273 31.823 0.021 0.000 1.015 278 V HN 0.829 nan 8.190 nan 0.000 0.477 279 L N 3.951 125.211 121.223 0.061 0.000 2.253 279 L HA 0.462 4.803 4.340 0.002 0.000 0.205 279 L C 1.001 177.907 176.870 0.061 0.000 1.078 279 L CA 0.850 55.727 54.840 0.062 0.000 0.805 279 L CB -0.038 42.073 42.059 0.086 0.000 0.963 279 L HN 0.713 nan 8.230 nan 0.000 0.459 280 A N 0.200 123.057 122.820 0.061 0.000 2.549 280 A HA 0.606 4.927 4.320 0.002 0.000 0.297 280 A C -1.816 175.779 177.584 0.019 0.000 1.061 280 A CA -0.497 51.572 52.037 0.053 0.000 0.690 280 A CB 1.606 20.662 19.000 0.094 0.000 1.287 280 A HN 0.232 nan 8.150 nan 0.000 0.402 281 D N -0.827 119.586 120.400 0.022 0.000 2.615 281 D HA 0.675 5.316 4.640 0.002 0.000 0.267 281 D C -0.894 175.450 176.300 0.075 0.000 1.236 281 D CA -0.336 53.670 54.000 0.010 0.000 0.839 281 D CB 1.046 41.835 40.800 -0.019 0.000 1.380 281 D HN 0.696 nan 8.370 nan 0.000 0.433 282 H N -1.766 117.260 119.070 -0.074 0.000 3.046 282 H HA 0.665 5.222 4.556 0.002 0.000 0.363 282 H C -1.581 173.704 175.328 -0.073 0.000 1.203 282 H CA -0.406 55.605 56.048 -0.062 0.000 1.169 282 H CB 2.414 32.139 29.762 -0.061 0.000 1.851 282 H HN 0.401 nan 8.280 nan 0.000 0.546 283 T N 3.129 117.320 114.554 -0.606 0.000 2.809 283 T HA 0.358 4.709 4.350 0.002 0.000 0.284 283 T C -0.274 174.131 174.700 -0.492 0.000 0.992 283 T CA -0.579 61.279 62.100 -0.404 0.000 0.957 283 T CB 0.780 69.486 68.868 -0.271 0.000 0.942 283 T HN 0.721 nan 8.240 nan 0.000 0.439 284 S N 2.821 118.388 115.700 -0.222 0.000 2.617 284 S HA 0.687 5.158 4.470 0.002 0.000 0.259 284 S C 0.845 175.395 174.600 -0.083 0.000 1.301 284 S CA -0.684 57.452 58.200 -0.106 0.000 0.984 284 S CB 0.425 63.638 63.200 0.022 0.000 0.954 284 S HN 0.917 nan 8.310 nan 0.000 0.572 285 A N 0.549 123.342 122.820 -0.045 0.000 2.310 285 A HA 0.348 4.669 4.320 0.002 0.000 0.260 285 A C 0.563 178.159 177.584 0.021 0.000 1.112 285 A CA -0.511 51.517 52.037 -0.016 0.000 0.804 285 A CB -0.400 18.603 19.000 0.006 0.000 1.081 285 A HN 0.901 nan 8.150 nan 0.000 0.499 286 E N -0.942 119.275 120.200 0.027 0.000 2.392 286 E HA 0.111 4.462 4.350 0.002 0.000 0.256 286 E C 0.765 177.429 176.600 0.106 0.000 1.145 286 E CA -0.543 55.886 56.400 0.049 0.000 0.929 286 E CB 0.439 30.163 29.700 0.040 0.000 0.998 286 E HN 0.541 nan 8.360 nan 0.000 0.442 287 L N 2.430 123.739 121.223 0.143 0.000 2.083 287 L HA -0.206 4.135 4.340 0.002 0.000 0.209 287 L C 2.251 179.206 176.870 0.142 0.000 1.083 287 L CA 2.266 57.213 54.840 0.178 0.000 0.752 287 L CB -0.814 41.356 42.059 0.185 0.000 0.899 287 L HN 0.649 nan 8.230 nan 0.000 0.433 288 S N -1.500 114.276 115.700 0.126 0.000 2.440 288 S HA -0.152 4.319 4.470 0.002 0.000 0.238 288 S C 1.664 176.346 174.600 0.138 0.000 1.010 288 S CA 1.160 59.441 58.200 0.135 0.000 0.972 288 S CB -0.487 62.791 63.200 0.131 0.000 0.774 288 S HN 0.571 nan 8.310 nan 0.000 0.501 289 E N 1.441 121.716 120.200 0.125 0.000 2.102 289 E HA 0.237 4.588 4.350 0.002 0.000 0.190 289 E C 2.106 178.803 176.600 0.160 0.000 0.971 289 E CA 0.535 57.014 56.400 0.131 0.000 0.821 289 E CB -0.502 29.258 29.700 0.101 0.000 0.777 289 E HN 0.580 nan 8.360 nan 0.000 0.460 290 I N 1.263 121.910 120.570 0.127 0.000 2.454 290 I HA -0.212 3.959 4.170 0.002 0.000 0.254 290 I C 2.241 178.497 176.117 0.231 0.000 1.156 290 I CA 0.682 62.044 61.300 0.103 0.000 1.433 290 I CB -0.223 37.758 38.000 -0.032 0.000 1.082 290 I HN 0.019 nan 8.210 nan 0.000 0.432 291 L N -0.014 121.358 121.223 0.248 0.000 2.353 291 L HA -0.177 4.164 4.340 0.002 0.000 0.220 291 L C 2.374 179.397 176.870 0.255 0.000 1.133 291 L CA 0.693 55.728 54.840 0.325 0.000 0.798 291 L CB -0.372 41.823 42.059 0.226 0.000 0.922 291 L HN 0.134 nan 8.230 nan 0.000 0.445 292 V N 0.432 120.496 119.914 0.249 0.000 2.239 292 V HA -0.123 3.998 4.120 0.002 0.000 0.242 292 V C -0.137 176.111 176.094 0.257 0.000 1.038 292 V CA 1.719 64.153 62.300 0.224 0.000 1.002 292 V CB -1.894 30.113 31.823 0.306 0.000 0.641 292 V HN 0.341 nan 8.190 nan 0.000 0.449 293 P HA -0.237 nan 4.420 nan 0.000 0.216 293 P C 1.828 179.439 177.300 0.518 0.000 1.150 293 P CA 1.823 65.264 63.100 0.568 0.000 0.837 293 P CB -0.178 31.978 31.700 0.760 0.000 0.786 294 F N 0.658 120.827 119.950 0.365 0.000 2.026 294 F HA -0.219 4.309 4.527 0.002 0.000 0.296 294 F C 2.213 178.085 175.800 0.120 0.000 1.133 294 F CA 1.551 59.747 58.000 0.327 0.000 1.188 294 F CB -0.348 38.834 39.000 0.303 0.000 0.968 294 F HN -0.276 nan 8.300 nan 0.000 0.476 295 M N 0.310 119.721 119.600 -0.315 0.000 2.349 295 M HA -0.088 4.393 4.480 0.002 0.000 0.266 295 M C 1.829 177.898 176.300 -0.384 0.000 1.076 295 M CA 1.113 56.090 55.300 -0.539 0.000 1.126 295 M CB -0.997 31.309 32.600 -0.491 0.000 1.392 295 M HN 0.122 nan 8.290 nan 0.000 0.440 296 K N 0.147 120.318 120.400 -0.382 0.000 2.057 296 K HA -0.039 4.282 4.320 0.002 0.000 0.206 296 K C 1.613 177.757 176.600 -0.760 0.000 1.050 296 K CA 1.366 57.263 56.287 -0.651 0.000 0.935 296 K CB -0.356 31.564 32.500 -0.967 0.000 0.715 296 K HN 0.321 nan 8.250 nan 0.000 0.439 297 F N 0.340 120.197 119.950 -0.156 0.000 2.695 297 F HA 0.218 4.746 4.527 0.002 0.000 0.303 297 F C 0.719 176.461 175.800 -0.097 0.000 1.091 297 F CA -0.348 57.573 58.000 -0.133 0.000 1.300 297 F CB 0.079 38.995 39.000 -0.139 0.000 1.071 297 F HN -0.199 nan 8.300 nan 0.000 0.578 298 S N 1.290 116.980 115.700 -0.017 0.000 3.791 298 S HA -0.301 4.170 4.470 0.002 0.000 0.393 298 S C 0.113 174.774 174.600 0.101 0.000 0.936 298 S CA 0.124 58.302 58.200 -0.036 0.000 1.234 298 S CB -2.029 61.137 63.200 -0.058 0.000 0.891 298 S HN 0.623 nan 8.310 nan 0.000 0.519 299 N N 1.309 120.140 118.700 0.218 0.000 2.416 299 N HA 0.213 4.954 4.740 0.002 0.000 0.265 299 N C 1.229 176.916 175.510 0.296 0.000 1.195 299 N CA -0.309 52.846 53.050 0.174 0.000 0.943 299 N CB 0.361 38.791 38.487 -0.093 0.000 1.115 299 N HN 0.375 nan 8.380 nan 0.000 0.481 300 N N 2.861 121.680 118.700 0.199 0.000 2.216 300 N HA -0.087 4.654 4.740 0.002 0.000 0.183 300 N C 1.777 177.450 175.510 0.272 0.000 1.017 300 N CA 0.936 54.128 53.050 0.236 0.000 0.861 300 N CB -0.456 38.110 38.487 0.132 0.000 0.986 300 N HN 0.689 nan 8.380 nan 0.000 0.428 301 G N 1.156 110.082 108.800 0.209 0.000 2.446 301 G HA2 -0.279 3.682 3.960 0.002 0.000 0.217 301 G HA3 -0.279 3.682 3.960 0.002 0.000 0.217 301 G C 1.289 176.341 174.900 0.254 0.000 1.168 301 G CA 1.009 46.252 45.100 0.238 0.000 0.771 301 G HN 0.337 nan 8.290 nan 0.000 0.551 302 H N 0.972 120.070 119.070 0.046 0.000 2.319 302 H HA 0.011 4.568 4.556 0.002 0.000 0.299 302 H C 2.886 177.991 175.328 -0.372 0.000 1.092 302 H CA 1.242 57.160 56.048 -0.215 0.000 1.302 302 H CB -0.761 28.814 29.762 -0.312 0.000 1.373 302 H HN 0.377 nan 8.280 nan 0.000 0.497 303 A N 1.054 123.868 122.820 -0.010 0.000 1.898 303 A HA -0.139 4.182 4.320 0.002 0.000 0.216 303 A C 2.248 179.930 177.584 0.164 0.000 1.181 303 A CA 1.567 53.669 52.037 0.108 0.000 0.620 303 A CB -0.093 19.201 19.000 0.491 0.000 0.819 303 A HN 0.284 nan 8.150 nan 0.000 0.442 304 E N -0.156 120.194 120.200 0.251 0.000 2.106 304 E HA -0.127 4.224 4.350 0.002 0.000 0.192 304 E C 2.029 178.631 176.600 0.004 0.000 0.984 304 E CA 1.208 57.777 56.400 0.281 0.000 0.806 304 E CB -0.474 29.524 29.700 0.498 0.000 0.750 304 E HN 0.735 nan 8.360 nan 0.000 0.458 305 M N 0.091 119.713 119.600 0.037 0.000 2.229 305 M HA -0.069 4.412 4.480 0.002 0.000 0.264 305 M C 2.346 178.678 176.300 0.053 0.000 1.063 305 M CA 0.927 56.269 55.300 0.071 0.000 1.114 305 M CB -0.222 32.468 32.600 0.150 0.000 1.387 305 M HN 0.042 nan 8.290 nan 0.000 0.420 306 L N -0.491 120.725 121.223 -0.012 0.000 1.994 306 L HA -0.204 4.137 4.340 0.002 0.000 0.208 306 L C 2.492 179.369 176.870 0.012 0.000 1.071 306 L CA 1.077 55.932 54.840 0.026 0.000 0.745 306 L CB -0.751 41.282 42.059 -0.043 0.000 0.892 306 L HN 0.101 nan 8.230 nan 0.000 0.431 307 V N 0.019 119.921 119.914 -0.021 0.000 2.317 307 V HA -0.362 3.759 4.120 0.002 0.000 0.251 307 V C 2.443 178.414 176.094 -0.205 0.000 1.065 307 V CA 1.940 64.212 62.300 -0.048 0.000 1.049 307 V CB -0.621 31.226 31.823 0.041 0.000 0.651 307 V HN 0.446 nan 8.190 nan 0.000 0.450 308 K N -0.407 119.718 120.400 -0.458 0.000 2.217 308 K HA -0.048 4.273 4.320 0.002 0.000 0.202 308 K C 2.345 178.704 176.600 -0.402 0.000 1.051 308 K CA 1.296 57.111 56.287 -0.788 0.000 0.952 308 K CB -0.156 31.265 32.500 -1.798 0.000 0.736 308 K HN 0.406 nan 8.250 nan 0.000 0.453 309 S N 1.312 117.037 115.700 0.042 0.000 2.406 309 S HA 0.009 4.480 4.470 0.002 0.000 0.228 309 S C 1.882 176.557 174.600 0.124 0.000 1.020 309 S CA 0.683 59.122 58.200 0.397 0.000 0.965 309 S CB -0.059 63.479 63.200 0.563 0.000 0.798 309 S HN 0.206 nan 8.310 nan 0.000 0.488 310 I N 1.479 122.061 120.570 0.019 0.000 2.315 310 I HA -0.109 4.062 4.170 0.002 0.000 0.248 310 I C 2.646 178.735 176.117 -0.047 0.000 1.117 310 I CA 1.033 62.322 61.300 -0.018 0.000 1.404 310 I CB -0.741 37.253 38.000 -0.011 0.000 1.071 310 I HN 0.363 nan 8.210 nan 0.000 0.419 311 G N -0.041 108.702 108.800 -0.096 0.000 2.432 311 G HA2 -0.227 3.734 3.960 0.002 0.000 0.219 311 G HA3 -0.227 3.734 3.960 0.002 0.000 0.219 311 G C 1.604 176.422 174.900 -0.136 0.000 1.135 311 G CA 0.349 45.373 45.100 -0.127 0.000 0.767 311 G HN 0.287 nan 8.290 nan 0.000 0.550 312 Q N -0.226 119.488 119.800 -0.145 0.000 2.172 312 Q HA -0.027 4.314 4.340 0.002 0.000 0.200 312 Q C 2.352 178.302 176.000 -0.082 0.000 0.964 312 Q CA 1.108 56.785 55.803 -0.210 0.000 0.855 312 Q CB -0.041 28.500 28.738 -0.328 0.000 0.918 312 Q HN 0.472 nan 8.270 nan 0.000 0.444 313 E N -0.385 119.805 120.200 -0.018 0.000 2.230 313 E HA -0.035 4.316 4.350 0.002 0.000 0.192 313 E C 1.507 178.099 176.600 -0.013 0.000 0.987 313 E CA 0.964 57.366 56.400 0.003 0.000 0.841 313 E CB 0.195 29.888 29.700 -0.012 0.000 0.783 313 E HN 0.190 nan 8.360 nan 0.000 0.481 314 T N -0.853 113.683 114.554 -0.029 0.000 2.815 314 T HA 0.163 4.514 4.350 0.002 0.000 0.244 314 T C 1.429 176.110 174.700 -0.032 0.000 1.040 314 T CA 1.187 63.273 62.100 -0.024 0.000 1.176 314 T CB -0.154 68.699 68.868 -0.024 0.000 0.880 314 T HN 0.191 nan 8.240 nan 0.000 0.414 315 A N 0.014 122.803 122.820 -0.051 0.000 2.430 315 A HA 0.587 4.908 4.320 0.002 0.000 0.243 315 A C 1.445 178.981 177.584 -0.079 0.000 1.254 315 A CA 0.518 52.522 52.037 -0.055 0.000 0.914 315 A CB -0.408 18.559 19.000 -0.054 0.000 0.998 315 A HN 0.801 nan 8.150 nan 0.000 0.515 316 G N -0.878 107.861 108.800 -0.102 0.000 2.295 316 G HA2 0.173 4.134 3.960 0.002 0.000 0.287 316 G HA3 0.173 4.134 3.960 0.002 0.000 0.287 316 G C 0.149 174.927 174.900 -0.204 0.000 1.055 316 G CA 0.414 45.422 45.100 -0.153 0.000 0.922 316 G HN 1.807 nan 8.290 nan 0.000 0.503 317 A N -0.423 122.270 122.820 -0.211 0.000 2.414 317 A HA 0.800 5.121 4.320 0.002 0.000 0.286 317 A C 0.518 177.944 177.584 -0.262 0.000 1.073 317 A CA 0.379 52.287 52.037 -0.215 0.000 0.727 317 A CB 1.341 20.256 19.000 -0.143 0.000 1.215 317 A HN 1.756 nan 8.150 nan 0.000 0.430 318 G N 2.523 111.140 108.800 -0.306 0.000 3.008 318 G HA2 0.465 4.426 3.960 0.002 0.000 0.272 318 G HA3 0.465 4.426 3.960 0.002 0.000 0.272 318 G C 0.275 174.907 174.900 -0.446 0.000 0.764 318 G CA 0.691 45.572 45.100 -0.365 0.000 2.029 318 G HN 1.309 nan 8.290 nan 0.000 0.587 319 T N -3.047 111.266 114.554 -0.402 0.000 2.868 319 T HA 0.318 4.668 4.350 0.002 0.000 0.306 319 T C 0.534 175.067 174.700 -0.278 0.000 1.224 319 T CA -0.911 60.984 62.100 -0.342 0.000 1.012 319 T CB 1.437 70.212 68.868 -0.154 0.000 1.221 319 T HN 0.184 nan 8.240 nan 0.000 0.499 320 W N 0.978 122.163 121.300 -0.192 0.000 2.358 320 W HA -0.053 4.608 4.660 0.001 0.000 0.303 320 W C 1.591 178.038 176.519 -0.121 0.000 1.208 320 W CA 1.566 58.814 57.345 -0.160 0.000 1.274 320 W CB -0.688 28.671 29.460 -0.168 0.000 1.138 320 W HN 0.813 nan 8.180 nan 0.000 0.515 321 D N -0.173 120.296 120.400 0.115 0.000 2.103 321 D HA -0.173 4.468 4.640 0.002 0.000 0.190 321 D C 2.240 178.545 176.300 0.008 0.000 0.997 321 D CA 2.351 56.376 54.000 0.042 0.000 0.833 321 D CB -0.877 39.931 40.800 0.013 0.000 0.961 321 D HN 0.007 nan 8.370 nan 0.000 0.447 322 A N 0.765 123.568 122.820 -0.028 0.000 1.877 322 A HA -0.058 4.263 4.320 0.002 0.000 0.216 322 A C 2.387 179.947 177.584 -0.040 0.000 1.186 322 A CA 2.426 54.435 52.037 -0.046 0.000 0.620 322 A CB -1.212 17.739 19.000 -0.081 0.000 0.822 322 A HN 0.318 nan 8.150 nan 0.000 0.443 323 G N -0.113 108.651 108.800 -0.060 0.000 2.491 323 G HA2 -0.192 3.769 3.960 0.002 0.000 0.218 323 G HA3 -0.192 3.769 3.960 0.002 0.000 0.218 323 G C 1.335 176.245 174.900 0.016 0.000 1.180 323 G CA 1.263 46.334 45.100 -0.048 0.000 0.774 323 G HN 0.334 nan 8.290 nan 0.000 0.562 324 L N 0.648 121.904 121.223 0.055 0.000 2.127 324 L HA -0.046 4.295 4.340 0.002 0.000 0.211 324 L C 3.163 180.055 176.870 0.037 0.000 1.089 324 L CA 0.712 55.590 54.840 0.063 0.000 0.757 324 L CB -1.100 40.998 42.059 0.065 0.000 0.899 324 L HN 0.126 nan 8.230 nan 0.000 0.434 325 V N -0.181 119.745 119.914 0.021 0.000 2.237 325 V HA -0.199 3.922 4.120 0.002 0.000 0.245 325 V C 2.625 178.731 176.094 0.019 0.000 1.046 325 V CA 1.850 64.158 62.300 0.014 0.000 1.007 325 V CB -1.463 30.362 31.823 0.002 0.000 0.638 325 V HN 0.524 nan 8.190 nan 0.000 0.445 326 G N -0.248 108.560 108.800 0.012 0.000 2.469 326 G HA2 -0.224 3.737 3.960 0.002 0.000 0.220 326 G HA3 -0.224 3.737 3.960 0.002 0.000 0.220 326 G C 1.640 176.562 174.900 0.036 0.000 1.136 326 G CA 1.365 46.474 45.100 0.016 0.000 0.759 326 G HN 0.371 nan 8.290 nan 0.000 0.562 327 V N 0.739 120.682 119.914 0.049 0.000 2.237 327 V HA -0.170 3.951 4.120 0.002 0.000 0.245 327 V C 2.745 178.891 176.094 0.086 0.000 1.046 327 V CA 2.131 64.479 62.300 0.079 0.000 1.007 327 V CB -0.350 31.532 31.823 0.099 0.000 0.638 327 V HN 0.439 nan 8.190 nan 0.000 0.445 328 E N 0.643 120.882 120.200 0.065 0.000 2.070 328 E HA -0.293 4.058 4.350 0.002 0.000 0.197 328 E C 2.125 178.762 176.600 0.061 0.000 1.004 328 E CA 2.203 58.638 56.400 0.059 0.000 0.805 328 E CB -0.212 29.506 29.700 0.031 0.000 0.744 328 E HN 0.737 nan 8.360 nan 0.000 0.451 329 E N -0.016 120.212 120.200 0.047 0.000 2.077 329 E HA -0.142 4.209 4.350 0.002 0.000 0.193 329 E C 2.096 178.729 176.600 0.053 0.000 0.989 329 E CA 0.994 57.419 56.400 0.042 0.000 0.800 329 E CB -0.186 29.532 29.700 0.029 0.000 0.746 329 E HN 0.372 nan 8.360 nan 0.000 0.452 330 A N 1.253 124.110 122.820 0.062 0.000 1.902 330 A HA -0.174 4.147 4.320 0.002 0.000 0.217 330 A C 2.198 179.835 177.584 0.089 0.000 1.181 330 A CA 1.107 53.188 52.037 0.073 0.000 0.623 330 A CB -0.652 18.391 19.000 0.073 0.000 0.818 330 A HN 0.131 nan 8.150 nan 0.000 0.443 331 L N -0.468 120.818 121.223 0.105 0.000 2.083 331 L HA -0.167 4.174 4.340 0.002 0.000 0.209 331 L C 2.836 179.764 176.870 0.095 0.000 1.083 331 L CA 1.492 56.407 54.840 0.125 0.000 0.752 331 L CB -0.402 41.771 42.059 0.190 0.000 0.899 331 L HN 0.327 nan 8.230 nan 0.000 0.433 332 S N -0.047 115.700 115.700 0.077 0.000 2.368 332 S HA -0.089 4.382 4.470 0.002 0.000 0.224 332 S C 2.022 176.649 174.600 0.045 0.000 1.029 332 S CA 1.125 59.359 58.200 0.057 0.000 0.988 332 S CB -0.544 62.683 63.200 0.046 0.000 0.838 332 S HN 0.587 nan 8.310 nan 0.000 0.462 333 G N 1.088 109.916 108.800 0.047 0.000 2.470 333 G HA2 -0.120 3.841 3.960 0.002 0.000 0.220 333 G HA3 -0.120 3.841 3.960 0.002 0.000 0.220 333 G C 1.207 176.128 174.900 0.035 0.000 1.121 333 G CA 0.415 45.538 45.100 0.038 0.000 0.766 333 G HN 0.426 nan 8.290 nan 0.000 0.553 334 L N 0.385 121.636 121.223 0.047 0.000 2.599 334 L HA 0.384 4.725 4.340 0.002 0.000 0.230 334 L C 1.656 178.529 176.870 0.004 0.000 1.141 334 L CA 1.126 55.984 54.840 0.031 0.000 0.877 334 L CB 0.009 42.107 42.059 0.065 0.000 1.009 334 L HN 0.340 nan 8.230 nan 0.000 0.447 335 G N -0.505 108.306 108.800 0.018 0.000 2.164 335 G HA2 -0.159 3.802 3.960 0.002 0.000 0.212 335 G HA3 -0.159 3.802 3.960 0.002 0.000 0.212 335 G C -0.295 174.620 174.900 0.025 0.000 1.031 335 G CA -0.013 45.094 45.100 0.012 0.000 0.730 335 G HN 0.189 nan 8.290 nan 0.000 0.501 336 V N 0.959 120.900 119.914 0.046 0.000 2.378 336 V HA 0.414 4.535 4.120 0.002 0.000 0.288 336 V C 0.211 176.350 176.094 0.076 0.000 1.016 336 V CA -1.140 61.201 62.300 0.068 0.000 0.840 336 V CB 1.857 33.741 31.823 0.101 0.000 0.994 336 V HN 0.438 nan 8.190 nan 0.000 0.431 337 D N 3.916 124.355 120.400 0.066 0.000 2.382 337 D HA 0.001 4.642 4.640 0.002 0.000 0.259 337 D C 0.897 177.238 176.300 0.070 0.000 1.224 337 D CA 0.129 54.162 54.000 0.056 0.000 0.894 337 D CB 1.647 42.473 40.800 0.044 0.000 1.127 337 D HN 0.729 nan 8.370 nan 0.000 0.487 338 T N 1.327 115.916 114.554 0.058 0.000 3.251 338 T HA 0.398 4.749 4.350 0.002 0.000 0.259 338 T C 1.465 176.176 174.700 0.018 0.000 0.998 338 T CA -0.025 62.104 62.100 0.048 0.000 0.905 338 T CB 0.583 69.480 68.868 0.047 0.000 1.067 338 T HN 0.322 nan 8.240 nan 0.000 0.569 339 A N 1.942 124.774 122.820 0.021 0.000 1.865 339 A HA 0.190 4.511 4.320 0.002 0.000 0.217 339 A C 2.449 180.032 177.584 -0.001 0.000 1.191 339 A CA 1.513 53.556 52.037 0.010 0.000 0.623 339 A CB -1.368 17.641 19.000 0.014 0.000 0.826 339 A HN 0.653 nan 8.150 nan 0.000 0.444 340 G N -1.183 107.617 108.800 0.000 0.000 2.920 340 G HA2 0.340 4.301 3.960 0.002 0.000 0.208 340 G HA3 0.340 4.301 3.960 0.002 0.000 0.208 340 G C 0.504 175.378 174.900 -0.043 0.000 1.159 340 G CA -0.214 44.879 45.100 -0.012 0.000 0.784 340 G HN 0.381 nan 8.290 nan 0.000 0.535 341 L N 0.538 121.722 121.223 -0.065 0.000 2.399 341 L HA 0.528 4.869 4.340 0.002 0.000 0.266 341 L C -0.539 176.271 176.870 -0.100 0.000 1.114 341 L CA -0.685 54.077 54.840 -0.130 0.000 0.804 341 L CB 2.030 43.976 42.059 -0.189 0.000 1.146 341 L HN -0.208 nan 8.230 nan 0.000 0.451 342 V N 4.039 123.881 119.914 -0.119 0.000 2.532 342 V HA 0.317 4.438 4.120 0.002 0.000 0.294 342 V C -0.296 175.739 176.094 -0.098 0.000 1.036 342 V CA -0.361 61.888 62.300 -0.085 0.000 0.876 342 V CB 1.802 33.586 31.823 -0.066 0.000 1.012 342 V HN 0.490 nan 8.190 nan 0.000 0.432 343 L N 3.893 125.068 121.223 -0.080 0.000 2.264 343 L HA 0.546 4.887 4.340 0.002 0.000 0.289 343 L C 0.757 177.592 176.870 -0.059 0.000 1.044 343 L CA -0.169 54.632 54.840 -0.067 0.000 0.807 343 L CB 1.277 43.313 42.059 -0.038 0.000 1.192 343 L HN 0.611 nan 8.230 nan 0.000 0.425 344 N N 0.872 119.530 118.700 -0.070 0.000 2.193 344 N HA 0.036 4.777 4.740 0.002 0.000 0.210 344 N C -0.886 174.510 175.510 -0.190 0.000 1.215 344 N CA 0.012 52.987 53.050 -0.125 0.000 0.901 344 N CB 0.785 39.195 38.487 -0.128 0.000 1.060 344 N HN 0.818 nan 8.380 nan 0.000 0.508 345 D N -3.288 117.073 120.400 -0.065 0.000 2.725 345 D HA 0.240 4.881 4.640 0.002 0.000 0.292 345 D C 0.568 176.972 176.300 0.174 0.000 1.288 345 D CA -0.439 53.564 54.000 0.005 0.000 0.784 345 D CB 0.379 41.183 40.800 0.006 0.000 1.308 345 D HN -0.099 nan 8.370 nan 0.000 0.429 346 G N -0.801 108.184 108.800 0.308 0.000 2.545 346 G HA2 0.009 3.970 3.960 0.002 0.000 0.212 346 G HA3 0.009 3.970 3.960 0.002 0.000 0.212 346 G C 1.181 176.267 174.900 0.310 0.000 1.144 346 G CA 0.920 46.200 45.100 0.300 0.000 0.813 346 G HN 0.643 nan 8.290 nan 0.000 0.531 347 S N -0.615 115.284 115.700 0.331 0.000 2.425 347 S HA 0.333 4.804 4.470 0.002 0.000 0.225 347 S C 1.997 176.700 174.600 0.171 0.000 1.024 347 S CA 1.292 59.660 58.200 0.280 0.000 0.951 347 S CB -0.064 63.300 63.200 0.274 0.000 0.796 347 S HN 1.462 nan 8.310 nan 0.000 0.498 348 G N 0.918 109.806 108.800 0.147 0.000 2.213 348 G HA2 -0.224 3.737 3.960 0.002 0.000 0.226 348 G HA3 -0.224 3.737 3.960 0.002 0.000 0.226 348 G C 0.590 175.491 174.900 0.002 0.000 0.992 348 G CA 0.232 45.372 45.100 0.067 0.000 0.632 348 G HN 0.446 nan 8.290 nan 0.000 0.511 349 L N 1.141 122.356 121.223 -0.014 0.000 2.127 349 L HA 0.066 4.407 4.340 0.002 0.000 0.211 349 L C 1.859 178.619 176.870 -0.183 0.000 1.089 349 L CA 1.828 56.551 54.840 -0.195 0.000 0.757 349 L CB -0.396 41.392 42.059 -0.450 0.000 0.899 349 L HN 0.461 nan 8.230 nan 0.000 0.434 350 S N -0.321 115.422 115.700 0.073 0.000 2.564 350 S HA 0.076 4.547 4.470 0.002 0.000 0.278 350 S C 1.107 175.674 174.600 -0.054 0.000 1.333 350 S CA -0.470 57.786 58.200 0.093 0.000 1.048 350 S CB 0.746 64.051 63.200 0.174 0.000 0.900 350 S HN 0.271 nan 8.310 nan 0.000 0.505 351 R N 3.052 123.488 120.500 -0.107 0.000 2.320 351 R HA 0.097 4.438 4.340 0.002 0.000 0.211 351 R C 1.532 177.800 176.300 -0.053 0.000 0.931 351 R CA 0.504 56.543 56.100 -0.102 0.000 1.071 351 R CB -0.207 30.019 30.300 -0.124 0.000 1.025 351 R HN 0.736 nan 8.270 nan 0.000 0.495 352 G N 0.348 109.119 108.800 -0.048 0.000 3.088 352 G HA2 -0.022 3.939 3.960 0.002 0.000 0.217 352 G HA3 -0.022 3.939 3.960 0.002 0.000 0.217 352 G C 0.277 175.144 174.900 -0.054 0.000 1.159 352 G CA -0.329 44.742 45.100 -0.048 0.000 0.760 352 G HN 0.129 nan 8.290 nan 0.000 0.550 353 N N 0.678 119.347 118.700 -0.052 0.000 2.518 353 N HA 0.512 5.253 4.740 0.002 0.000 0.283 353 N C -0.830 174.640 175.510 -0.067 0.000 1.119 353 N CA 0.156 53.169 53.050 -0.062 0.000 0.983 353 N CB 2.058 40.515 38.487 -0.049 0.000 1.139 353 N HN 0.019 nan 8.380 nan 0.000 0.465 354 L N 1.133 122.302 121.223 -0.091 0.000 2.455 354 L HA 0.589 4.930 4.340 0.002 0.000 0.264 354 L C 0.030 176.824 176.870 -0.126 0.000 0.968 354 L CA -0.878 53.913 54.840 -0.082 0.000 0.827 354 L CB 2.058 44.083 42.059 -0.058 0.000 1.317 354 L HN 0.309 nan 8.230 nan 0.000 0.407 355 V N -0.750 119.108 119.914 -0.094 0.000 3.109 355 V HA 0.942 5.063 4.120 0.002 0.000 0.311 355 V C -0.707 175.381 176.094 -0.011 0.000 1.389 355 V CA -0.307 61.932 62.300 -0.101 0.000 1.034 355 V CB 2.158 33.908 31.823 -0.120 0.000 1.105 355 V HN 0.855 nan 8.190 nan 0.000 0.477 356 T N -3.486 111.093 114.554 0.042 0.000 2.889 356 T HA 0.751 5.102 4.350 0.002 0.000 0.315 356 T C 0.694 175.451 174.700 0.094 0.000 1.291 356 T CA 0.121 62.256 62.100 0.058 0.000 1.028 356 T CB 1.379 70.275 68.868 0.048 0.000 1.235 356 T HN 2.022 nan 8.240 nan 0.000 0.491 357 A N 1.545 124.414 122.820 0.082 0.000 1.917 357 A HA -0.097 4.224 4.320 0.002 0.000 0.219 357 A C 1.878 179.516 177.584 0.089 0.000 1.182 357 A CA 2.229 54.318 52.037 0.087 0.000 0.633 357 A CB -1.116 17.935 19.000 0.086 0.000 0.819 357 A HN 0.914 nan 8.150 nan 0.000 0.448 358 D N -0.407 120.042 120.400 0.083 0.000 2.092 358 D HA -0.119 4.522 4.640 0.002 0.000 0.193 358 D C 2.069 178.428 176.300 0.097 0.000 0.994 358 D CA 2.045 56.091 54.000 0.078 0.000 0.828 358 D CB -0.882 39.957 40.800 0.064 0.000 0.963 358 D HN 0.444 nan 8.370 nan 0.000 0.450 359 T N 0.644 115.275 114.554 0.129 0.000 2.788 359 T HA -0.088 4.263 4.350 0.002 0.000 0.268 359 T C 2.254 177.107 174.700 0.256 0.000 1.044 359 T CA 0.790 63.011 62.100 0.201 0.000 1.139 359 T CB -0.305 68.699 68.868 0.226 0.000 0.867 359 T HN -0.009 nan 8.240 nan 0.000 0.454 360 V N 1.035 121.089 119.914 0.234 0.000 2.358 360 V HA -0.094 4.027 4.120 0.002 0.000 0.246 360 V C 2.651 178.734 176.094 -0.019 0.000 1.047 360 V CA 1.104 63.473 62.300 0.114 0.000 1.035 360 V CB -0.635 31.251 31.823 0.105 0.000 0.658 360 V HN 0.308 nan 8.190 nan 0.000 0.452 361 V N 0.602 120.525 119.914 0.016 0.000 2.626 361 V HA -0.218 3.903 4.120 0.002 0.000 0.252 361 V C 2.321 178.429 176.094 0.023 0.000 1.067 361 V CA 2.128 64.428 62.300 0.001 0.000 1.081 361 V CB -0.551 31.296 31.823 0.039 0.000 0.686 361 V HN 0.623 nan 8.190 nan 0.000 0.468 362 D N 0.236 120.661 120.400 0.042 0.000 2.084 362 D HA -0.164 4.477 4.640 0.002 0.000 0.196 362 D C 1.990 178.300 176.300 0.017 0.000 0.985 362 D CA 1.286 55.312 54.000 0.043 0.000 0.826 362 D CB -0.173 40.667 40.800 0.066 0.000 0.978 362 D HN 0.280 nan 8.370 nan 0.000 0.456 363 L N 0.402 121.616 121.223 -0.015 0.000 2.079 363 L HA -0.049 4.292 4.340 0.002 0.000 0.210 363 L C 2.187 179.031 176.870 -0.043 0.000 1.081 363 L CA 1.449 56.237 54.840 -0.086 0.000 0.752 363 L CB -0.634 41.244 42.059 -0.303 0.000 0.896 363 L HN 0.160 nan 8.230 nan 0.000 0.433 364 L N -0.803 120.420 121.223 0.000 0.000 2.191 364 L HA -0.107 4.234 4.340 0.002 0.000 0.212 364 L C 2.379 179.383 176.870 0.223 0.000 1.103 364 L CA 1.028 55.943 54.840 0.126 0.000 0.769 364 L CB -1.103 40.902 42.059 -0.089 0.000 0.908 364 L HN 0.483 nan 8.230 nan 0.000 0.438 365 G N -1.405 107.454 108.800 0.100 0.000 2.408 365 G HA2 -0.155 3.806 3.960 0.002 0.000 0.213 365 G HA3 -0.155 3.806 3.960 0.002 0.000 0.213 365 G C 1.481 176.380 174.900 -0.002 0.000 1.177 365 G CA -0.052 45.094 45.100 0.077 0.000 0.802 365 G HN 0.210 nan 8.290 nan 0.000 0.533 366 Q N 0.671 120.446 119.800 -0.041 0.000 2.119 366 Q HA 0.028 4.369 4.340 0.002 0.000 0.201 366 Q C 2.877 178.740 176.000 -0.228 0.000 0.972 366 Q CA 1.309 57.047 55.803 -0.107 0.000 0.847 366 Q CB -0.518 28.175 28.738 -0.076 0.000 0.903 366 Q HN 0.446 nan 8.270 nan 0.000 0.433 367 A N 0.878 123.554 122.820 -0.241 0.000 1.898 367 A HA -0.020 4.301 4.320 0.002 0.000 0.216 367 A C 2.254 179.576 177.584 -0.436 0.000 1.181 367 A CA 1.483 53.223 52.037 -0.494 0.000 0.620 367 A CB -0.938 17.600 19.000 -0.769 0.000 0.819 367 A HN 0.427 nan 8.150 nan 0.000 0.442 368 G N -0.441 108.270 108.800 -0.148 0.000 2.708 368 G HA2 0.092 4.053 3.960 0.002 0.000 0.210 368 G HA3 0.092 4.053 3.960 0.002 0.000 0.210 368 G C 0.965 175.752 174.900 -0.188 0.000 1.141 368 G CA 1.276 46.291 45.100 -0.143 0.000 0.788 368 G HN 0.953 nan 8.290 nan 0.000 0.531 369 S N -1.745 113.802 115.700 -0.256 0.000 2.952 369 S HA 0.707 5.178 4.470 0.002 0.000 0.251 369 S C 0.490 174.882 174.600 -0.346 0.000 1.021 369 S CA 0.100 58.158 58.200 -0.237 0.000 1.067 369 S CB 0.708 63.812 63.200 -0.160 0.000 1.002 369 S HN 0.485 nan 8.310 nan 0.000 0.574 370 A N 2.135 124.609 122.820 -0.578 0.000 2.281 370 A HA 0.829 5.150 4.320 0.002 0.000 0.329 370 A C -1.752 175.415 177.584 -0.696 0.000 1.122 370 A CA -1.948 49.594 52.037 -0.825 0.000 0.850 370 A CB 0.283 18.291 19.000 -1.654 0.000 1.207 370 A HN 0.172 nan 8.150 nan 0.000 0.495 371 P HA -0.137 nan 4.420 nan 0.000 0.218 371 P C 0.967 178.173 177.300 -0.157 0.000 1.148 371 P CA 1.634 64.560 63.100 -0.290 0.000 0.822 371 P CB 0.015 31.613 31.700 -0.170 0.000 0.784 372 W N -2.182 119.116 121.300 -0.004 0.000 3.290 372 W HA 0.527 5.188 4.660 0.002 0.000 0.287 372 W C 1.416 177.980 176.519 0.075 0.000 1.288 372 W CA 0.198 57.569 57.345 0.042 0.000 1.725 372 W CB -1.276 28.221 29.460 0.062 0.000 1.103 372 W HN -0.130 nan 8.180 nan 0.000 0.670 373 A N 2.204 125.063 122.820 0.064 0.000 1.985 373 A HA -0.363 3.958 4.320 0.002 0.000 0.223 373 A C 2.004 179.787 177.584 0.333 0.000 1.189 373 A CA 2.738 54.864 52.037 0.148 0.000 0.658 373 A CB -0.721 18.207 19.000 -0.119 0.000 0.820 373 A HN 0.339 nan 8.150 nan 0.000 0.464 374 Q N -1.015 118.922 119.800 0.227 0.000 2.049 374 Q HA -0.061 4.280 4.340 0.002 0.000 0.198 374 Q C 2.397 178.537 176.000 0.234 0.000 0.971 374 Q CA 2.178 58.094 55.803 0.189 0.000 0.833 374 Q CB -0.778 28.030 28.738 0.117 0.000 0.896 374 Q HN 0.879 nan 8.270 nan 0.000 0.434 375 T N -2.045 112.677 114.554 0.280 0.000 3.035 375 T HA -0.118 4.233 4.350 0.002 0.000 0.268 375 T C 1.361 176.244 174.700 0.306 0.000 1.109 375 T CA 0.610 62.860 62.100 0.251 0.000 1.119 375 T CB -0.341 68.669 68.868 0.237 0.000 0.900 375 T HN 0.529 nan 8.240 nan 0.000 0.503 376 W N 2.215 123.644 121.300 0.214 0.000 2.452 376 W HA -0.027 4.634 4.660 0.002 0.000 0.313 376 W C 1.792 178.400 176.519 0.149 0.000 1.176 376 W CA 0.934 58.396 57.345 0.194 0.000 1.350 376 W CB -0.654 29.050 29.460 0.407 0.000 1.148 376 W HN 0.311 nan 8.180 nan 0.000 0.498 377 S N 1.623 117.455 115.700 0.220 0.000 2.356 377 S HA -0.152 4.319 4.470 0.002 0.000 0.223 377 S C 2.199 176.785 174.600 -0.023 0.000 1.032 377 S CA 1.876 60.088 58.200 0.020 0.000 1.005 377 S CB -0.974 62.305 63.200 0.131 0.000 0.867 377 S HN 0.394 nan 8.310 nan 0.000 0.449 378 A N 1.736 124.583 122.820 0.045 0.000 2.032 378 A HA -0.149 4.172 4.320 0.002 0.000 0.221 378 A C 2.306 179.887 177.584 -0.006 0.000 1.165 378 A CA 1.998 54.055 52.037 0.033 0.000 0.645 378 A CB -0.848 18.195 19.000 0.071 0.000 0.807 378 A HN 0.641 nan 8.150 nan 0.000 0.453 379 S N -0.724 114.952 115.700 -0.041 0.000 2.461 379 S HA 0.171 4.642 4.470 0.002 0.000 0.228 379 S C 0.751 175.237 174.600 -0.190 0.000 1.005 379 S CA -0.118 58.033 58.200 -0.082 0.000 0.942 379 S CB -0.607 62.549 63.200 -0.073 0.000 0.776 379 S HN 0.403 nan 8.310 nan 0.000 0.514 380 L N 2.197 123.279 121.223 -0.235 0.000 2.461 380 L HA 0.323 4.664 4.340 0.002 0.000 0.272 380 L C -2.444 174.312 176.870 -0.190 0.000 1.197 380 L CA -1.997 52.684 54.840 -0.264 0.000 0.836 380 L CB -0.089 41.811 42.059 -0.266 0.000 1.105 380 L HN 0.026 nan 8.230 nan 0.000 0.477 381 P HA 0.045 nan 4.420 nan 0.000 0.268 381 P C -0.858 176.379 177.300 -0.105 0.000 1.205 381 P CA -0.106 62.887 63.100 -0.178 0.000 0.771 381 P CB 0.786 32.370 31.700 -0.193 0.000 0.858 382 V N 3.249 123.116 119.914 -0.079 0.000 2.370 382 V HA 0.464 4.585 4.120 0.002 0.000 0.283 382 V C 0.630 176.700 176.094 -0.040 0.000 1.023 382 V CA -0.954 61.321 62.300 -0.041 0.000 0.857 382 V CB 0.808 32.617 31.823 -0.025 0.000 0.985 382 V HN 0.675 nan 8.190 nan 0.000 0.443 383 A N 3.780 126.582 122.820 -0.030 0.000 2.555 383 A HA 0.452 4.773 4.320 0.002 0.000 0.233 383 A C 1.532 179.098 177.584 -0.030 0.000 1.060 383 A CA 0.630 52.649 52.037 -0.030 0.000 0.759 383 A CB -0.394 18.590 19.000 -0.026 0.000 0.995 383 A HN 2.291 nan 8.150 nan 0.000 0.506 384 G N 0.926 109.710 108.800 -0.027 0.000 2.379 384 G HA2 -0.181 3.780 3.960 0.002 0.000 0.297 384 G HA3 -0.181 3.780 3.960 0.002 0.000 0.297 384 G C -0.101 174.791 174.900 -0.013 0.000 1.004 384 G CA 0.639 45.727 45.100 -0.020 0.000 0.921 384 G HN 0.794 nan 8.290 nan 0.000 0.511 385 E N 0.278 120.472 120.200 -0.011 0.000 2.149 385 E HA 0.325 4.676 4.350 0.002 0.000 0.255 385 E C 1.391 177.998 176.600 0.012 0.000 0.888 385 E CA 0.192 56.593 56.400 0.001 0.000 0.742 385 E CB 1.006 30.705 29.700 -0.000 0.000 1.164 385 E HN 0.411 nan 8.360 nan 0.000 0.422 386 S N 1.292 117.004 115.700 0.019 0.000 2.423 386 S HA -0.198 4.273 4.470 0.002 0.000 0.238 386 S C 0.814 175.445 174.600 0.053 0.000 1.028 386 S CA 0.785 59.004 58.200 0.031 0.000 1.000 386 S CB -0.017 63.200 63.200 0.029 0.000 0.797 386 S HN 0.391 nan 8.310 nan 0.000 0.487 387 D N 2.984 123.422 120.400 0.062 0.000 2.401 387 D HA 0.208 4.849 4.640 0.002 0.000 0.254 387 D C -1.722 174.650 176.300 0.120 0.000 1.192 387 D CA -2.118 51.945 54.000 0.105 0.000 0.885 387 D CB 1.445 42.309 40.800 0.106 0.000 1.147 387 D HN 0.051 nan 8.370 nan 0.000 0.478 388 P HA -0.083 nan 4.420 nan 0.000 0.216 388 P C 0.949 178.280 177.300 0.051 0.000 1.150 388 P CA 0.888 64.100 63.100 0.186 0.000 0.837 388 P CB 0.028 31.926 31.700 0.330 0.000 0.786 389 F N -1.897 118.131 119.950 0.131 0.000 2.811 389 F HA -0.021 4.507 4.527 0.002 0.000 0.301 389 F C 1.824 177.597 175.800 -0.045 0.000 1.151 389 F CA 0.596 58.625 58.000 0.049 0.000 1.412 389 F CB -0.157 38.930 39.000 0.145 0.000 1.113 389 F HN -0.228 nan 8.300 nan 0.000 0.579 390 V N -1.835 118.131 119.914 0.085 0.000 2.948 390 V HA 0.164 4.285 4.120 0.002 0.000 0.234 390 V C 2.372 178.436 176.094 -0.049 0.000 1.205 390 V CA 1.218 63.535 62.300 0.028 0.000 1.234 390 V CB -0.631 31.222 31.823 0.050 0.000 1.020 390 V HN 0.215 nan 8.190 nan 0.000 0.491 391 G N -0.501 108.270 108.800 -0.048 0.000 2.464 391 G HA2 0.318 4.279 3.960 0.002 0.000 0.217 391 G HA3 0.318 4.279 3.960 0.002 0.000 0.217 391 G C 1.159 175.973 174.900 -0.143 0.000 1.138 391 G CA 1.118 46.175 45.100 -0.072 0.000 0.793 391 G HN 0.879 nan 8.290 nan 0.000 0.539 392 G N 0.109 108.764 108.800 -0.242 0.000 2.634 392 G HA2 -0.349 3.612 3.960 0.002 0.000 0.309 392 G HA3 -0.349 3.612 3.960 0.002 0.000 0.309 392 G C 1.344 176.119 174.900 -0.209 0.000 1.265 392 G CA 2.079 46.933 45.100 -0.410 0.000 0.998 392 G HN 1.230 nan 8.290 nan 0.000 0.551 393 T N -1.195 113.244 114.554 -0.191 0.000 3.215 393 T HA 0.413 4.764 4.350 0.002 0.000 0.254 393 T C 1.493 176.145 174.700 -0.079 0.000 1.149 393 T CA 1.514 63.556 62.100 -0.097 0.000 1.042 393 T CB 0.097 68.909 68.868 -0.093 0.000 0.966 393 T HN 0.501 nan 8.240 nan 0.000 0.534 394 L N 0.009 121.180 121.223 -0.088 0.000 2.857 394 L HA 0.609 4.950 4.340 0.002 0.000 0.249 394 L C 2.215 179.057 176.870 -0.046 0.000 1.172 394 L CA 0.041 54.844 54.840 -0.061 0.000 0.980 394 L CB -0.206 41.816 42.059 -0.062 0.000 1.299 394 L HN 0.284 nan 8.230 nan 0.000 0.535 395 A N 0.172 122.967 122.820 -0.043 0.000 1.933 395 A HA -0.132 4.189 4.320 0.002 0.000 0.218 395 A C 1.725 179.302 177.584 -0.012 0.000 1.175 395 A CA 1.661 53.685 52.037 -0.022 0.000 0.628 395 A CB -0.258 18.739 19.000 -0.005 0.000 0.814 395 A HN 0.484 nan 8.150 nan 0.000 0.444 396 N N -0.458 118.234 118.700 -0.013 0.000 2.230 396 N HA 0.113 4.854 4.740 0.002 0.000 0.202 396 N C -0.107 175.393 175.510 -0.017 0.000 1.119 396 N CA 0.126 53.170 53.050 -0.010 0.000 0.851 396 N CB 0.482 38.965 38.487 -0.007 0.000 0.990 396 N HN 0.472 nan 8.380 nan 0.000 0.497 397 R N -0.078 120.409 120.500 -0.023 0.000 2.732 397 R HA 0.447 4.788 4.340 0.002 0.000 0.278 397 R C 0.762 177.045 176.300 -0.028 0.000 0.976 397 R CA -0.580 55.503 56.100 -0.027 0.000 0.963 397 R CB 1.464 31.744 30.300 -0.032 0.000 1.150 397 R HN -0.075 nan 8.270 nan 0.000 0.478 398 M N -0.285 119.296 119.600 -0.031 0.000 2.872 398 M HA -0.297 4.184 4.480 0.002 0.000 0.183 398 M C -0.407 175.876 176.300 -0.028 0.000 0.631 398 M CA 1.176 56.456 55.300 -0.033 0.000 0.672 398 M CB -1.271 31.305 32.600 -0.040 0.000 2.432 398 M HN 0.570 nan 8.290 nan 0.000 0.376 399 R N 0.958 121.445 120.500 -0.022 0.000 2.570 399 R HA 0.285 4.626 4.340 0.002 0.000 0.277 399 R C 1.387 177.678 176.300 -0.015 0.000 1.039 399 R CA 1.040 57.130 56.100 -0.016 0.000 1.065 399 R CB 0.248 30.542 30.300 -0.011 0.000 0.964 399 R HN 0.511 nan 8.270 nan 0.000 0.428 400 G N 1.568 110.361 108.800 -0.012 0.000 2.143 400 G HA2 -0.290 3.671 3.960 0.002 0.000 0.248 400 G HA3 -0.290 3.671 3.960 0.002 0.000 0.248 400 G C 0.181 175.075 174.900 -0.010 0.000 0.991 400 G CA 0.553 45.648 45.100 -0.009 0.000 0.689 400 G HN 0.747 nan 8.290 nan 0.000 0.522 401 T N -4.103 110.442 114.554 -0.016 0.000 2.910 401 T HA 0.811 5.162 4.350 0.002 0.000 0.287 401 T C 1.486 176.177 174.700 -0.015 0.000 1.050 401 T CA 0.292 62.382 62.100 -0.017 0.000 1.011 401 T CB 1.657 70.509 68.868 -0.027 0.000 1.195 401 T HN 1.338 nan 8.240 nan 0.000 0.540 402 A N -0.070 122.747 122.820 -0.006 0.000 2.125 402 A HA 0.336 4.657 4.320 0.002 0.000 0.219 402 A C 2.303 179.858 177.584 -0.047 0.000 1.156 402 A CA 1.424 53.468 52.037 0.011 0.000 0.671 402 A CB -1.312 17.721 19.000 0.055 0.000 0.794 402 A HN 1.191 nan 8.150 nan 0.000 0.459 403 A N -0.406 122.377 122.820 -0.060 0.000 2.081 403 A HA 0.123 4.444 4.320 0.002 0.000 0.214 403 A C 1.017 178.546 177.584 -0.091 0.000 1.158 403 A CA 0.440 52.422 52.037 -0.091 0.000 0.724 403 A CB -0.307 18.650 19.000 -0.072 0.000 0.826 403 A HN 0.601 nan 8.150 nan 0.000 0.463 404 E N 0.058 120.219 120.200 -0.065 0.000 2.585 404 E HA 0.230 4.581 4.350 0.002 0.000 0.252 404 E C 1.142 177.705 176.600 -0.062 0.000 0.981 404 E CA 0.633 57.003 56.400 -0.050 0.000 0.943 404 E CB -0.221 29.461 29.700 -0.031 0.000 0.923 404 E HN 0.737 nan 8.360 nan 0.000 0.486 405 G N 2.510 111.281 108.800 -0.049 0.000 2.162 405 G HA2 -0.287 3.674 3.960 0.002 0.000 0.260 405 G HA3 -0.287 3.674 3.960 0.002 0.000 0.260 405 G C 0.518 175.378 174.900 -0.067 0.000 0.976 405 G CA 0.377 45.452 45.100 -0.043 0.000 0.655 405 G HN 0.450 nan 8.290 nan 0.000 0.533 406 V N -0.253 119.598 119.914 -0.105 0.000 3.430 406 V HA 0.262 4.383 4.120 0.002 0.000 0.211 406 V C 1.929 178.002 176.094 -0.034 0.000 1.173 406 V CA 0.572 62.787 62.300 -0.140 0.000 1.310 406 V CB -0.464 31.129 31.823 -0.385 0.000 1.361 406 V HN 0.292 nan 8.190 nan 0.000 0.512 407 V N 2.316 122.221 119.914 -0.015 0.000 2.790 407 V HA -0.103 4.018 4.120 0.002 0.000 0.304 407 V C 0.131 176.278 176.094 0.089 0.000 1.142 407 V CA 0.936 63.288 62.300 0.087 0.000 1.282 407 V CB -0.516 31.353 31.823 0.076 0.000 0.877 407 V HN 0.666 nan 8.190 nan 0.000 0.504 408 E N 3.365 123.650 120.200 0.142 0.000 2.795 408 E HA 0.627 4.978 4.350 0.002 0.000 0.226 408 E C -0.225 176.362 176.600 -0.022 0.000 1.088 408 E CA -0.176 56.267 56.400 0.073 0.000 0.812 408 E CB 1.464 31.251 29.700 0.146 0.000 1.328 408 E HN 0.835 nan 8.360 nan 0.000 0.410 409 A N 2.041 124.825 122.820 -0.059 0.000 2.346 409 A HA 0.730 5.051 4.320 0.002 0.000 0.313 409 A C -0.766 176.701 177.584 -0.194 0.000 1.140 409 A CA -0.812 51.118 52.037 -0.180 0.000 0.826 409 A CB 1.447 20.416 19.000 -0.053 0.000 1.332 409 A HN 0.230 nan 8.150 nan 0.000 0.457 410 K N 0.517 120.772 120.400 -0.240 0.000 2.182 410 K HA 0.575 4.896 4.320 0.002 0.000 0.262 410 K C 0.210 176.721 176.600 -0.148 0.000 0.957 410 K CA 0.115 56.270 56.287 -0.220 0.000 0.842 410 K CB 1.015 33.360 32.500 -0.259 0.000 1.099 410 K HN 0.867 nan 8.250 nan 0.000 0.438 411 T N -0.290 114.187 114.554 -0.128 0.000 2.849 411 T HA 0.836 5.187 4.350 0.002 0.000 0.276 411 T C 0.194 174.846 174.700 -0.080 0.000 0.971 411 T CA -0.659 61.388 62.100 -0.089 0.000 0.949 411 T CB 1.446 70.264 68.868 -0.083 0.000 1.093 411 T HN 0.614 nan 8.240 nan 0.000 0.545 412 G N -0.121 108.642 108.800 -0.062 0.000 2.717 412 G HA2 0.525 4.486 3.960 0.002 0.000 0.300 412 G HA3 0.525 4.486 3.960 0.002 0.000 0.300 412 G C -1.255 173.614 174.900 -0.051 0.000 1.424 412 G CA -0.816 44.251 45.100 -0.056 0.000 1.033 412 G HN 0.860 nan 8.290 nan 0.000 0.577 413 T N 1.938 116.448 114.554 -0.073 0.000 3.032 413 T HA 0.741 5.092 4.350 0.002 0.000 0.312 413 T C -0.085 174.549 174.700 -0.110 0.000 1.078 413 T CA -0.538 61.519 62.100 -0.071 0.000 1.028 413 T CB 1.773 70.593 68.868 -0.079 0.000 1.091 413 T HN 0.581 nan 8.240 nan 0.000 0.457 414 M N 0.681 120.233 119.600 -0.080 0.000 2.948 414 M HA 0.490 4.971 4.480 0.002 0.000 0.278 414 M C -0.549 175.712 176.300 -0.065 0.000 1.293 414 M CA -0.965 54.267 55.300 -0.114 0.000 0.777 414 M CB 2.472 34.997 32.600 -0.126 0.000 1.713 414 M HN 0.471 nan 8.290 nan 0.000 0.444 415 S N 0.460 116.128 115.700 -0.052 0.000 2.505 415 S HA 0.403 4.874 4.470 0.002 0.000 0.276 415 S C 0.649 175.194 174.600 -0.092 0.000 1.274 415 S CA 0.647 58.831 58.200 -0.028 0.000 1.053 415 S CB 0.586 63.822 63.200 0.060 0.000 0.919 415 S HN 1.008 nan 8.310 nan 0.000 0.490 416 G N 2.060 110.723 108.800 -0.228 0.000 2.179 416 G HA2 -0.213 3.748 3.960 0.002 0.000 0.257 416 G HA3 -0.213 3.748 3.960 0.002 0.000 0.257 416 G C -0.105 174.598 174.900 -0.329 0.000 1.010 416 G CA 0.250 45.043 45.100 -0.511 0.000 0.736 416 G HN 0.769 nan 8.290 nan 0.000 0.513 417 V N -0.540 119.351 119.914 -0.039 0.000 2.711 417 V HA 0.810 4.931 4.120 0.002 0.000 0.304 417 V C -0.187 176.007 176.094 0.166 0.000 1.097 417 V CA -0.059 62.313 62.300 0.119 0.000 0.906 417 V CB 2.025 33.854 31.823 0.011 0.000 1.015 417 V HN 0.749 nan 8.190 nan 0.000 0.427 418 S N 2.711 118.510 115.700 0.165 0.000 2.536 418 S HA 0.952 5.423 4.470 0.002 0.000 0.271 418 S C -0.884 173.723 174.600 0.013 0.000 1.134 418 S CA 0.316 58.546 58.200 0.049 0.000 0.897 418 S CB 1.901 65.087 63.200 -0.023 0.000 1.094 418 S HN 1.548 nan 8.310 nan 0.000 0.473 419 A N 2.203 125.019 122.820 -0.005 0.000 2.587 419 A HA 0.908 5.229 4.320 0.002 0.000 0.293 419 A C -1.937 175.642 177.584 -0.009 0.000 1.087 419 A CA -0.615 51.421 52.037 -0.001 0.000 0.692 419 A CB 1.778 20.782 19.000 0.005 0.000 1.291 419 A HN 1.256 nan 8.150 nan 0.000 0.407 420 L N 0.783 122.013 121.223 0.012 0.000 2.676 420 L HA 0.644 4.985 4.340 0.002 0.000 0.262 420 L C -1.170 175.709 176.870 0.016 0.000 0.965 420 L CA 0.378 55.240 54.840 0.036 0.000 0.920 420 L CB 1.699 43.822 42.059 0.107 0.000 1.260 420 L HN 0.600 nan 8.230 nan 0.000 0.422 421 S N 2.619 118.195 115.700 -0.207 0.000 2.557 421 S HA 1.017 5.488 4.470 0.002 0.000 0.291 421 S C -0.010 174.106 174.600 -0.807 0.000 1.116 421 S CA -0.031 57.840 58.200 -0.549 0.000 0.992 421 S CB 1.825 64.826 63.200 -0.332 0.000 1.028 421 S HN 1.065 nan 8.310 nan 0.000 0.484 422 G N 1.427 109.347 108.800 -1.466 0.000 2.512 422 G HA2 0.501 4.462 3.960 0.002 0.000 0.186 422 G HA3 0.501 4.462 3.960 0.002 0.000 0.186 422 G C -2.309 171.926 174.900 -1.108 0.000 1.189 422 G CA -0.425 44.005 45.100 -1.117 0.000 0.994 422 G HN 0.484 nan 8.290 nan 0.000 0.506 423 Y N -1.388 118.874 120.300 -0.064 0.000 2.602 423 Y HA 0.687 5.238 4.550 0.002 0.000 0.342 423 Y C -0.101 175.981 175.900 0.304 0.000 1.029 423 Y CA -1.007 57.183 58.100 0.150 0.000 1.080 423 Y CB 2.684 41.203 38.460 0.100 0.000 1.284 423 Y HN 0.291 nan 8.280 nan 0.000 0.485 424 V N 3.490 123.671 119.914 0.446 0.000 2.467 424 V HA 0.260 4.381 4.120 0.002 0.000 0.260 424 V C -2.514 173.743 176.094 0.272 0.000 0.963 424 V CA -1.612 60.870 62.300 0.303 0.000 0.856 424 V CB 0.679 32.647 31.823 0.241 0.000 1.087 424 V HN 0.520 nan 8.190 nan 0.000 0.467 425 P HA 0.476 nan 4.420 nan 0.000 0.271 425 P C 0.130 177.613 177.300 0.306 0.000 1.218 425 P CA 0.607 63.829 63.100 0.203 0.000 0.780 425 P CB 2.057 33.840 31.700 0.138 0.000 0.901 426 G N 1.775 110.687 108.800 0.186 0.000 2.466 426 G HA2 0.370 4.331 3.960 0.002 0.000 0.291 426 G HA3 0.370 4.331 3.960 0.002 0.000 0.291 426 G C -2.527 172.368 174.900 -0.009 0.000 1.460 426 G CA -0.788 44.357 45.100 0.076 0.000 0.791 426 G HN 0.174 nan 8.290 nan 0.000 0.505 427 P HA -0.063 nan 4.420 nan 0.000 0.216 427 P C 1.177 178.450 177.300 -0.046 0.000 1.153 427 P CA 1.193 64.259 63.100 -0.056 0.000 0.848 427 P CB 0.304 31.955 31.700 -0.082 0.000 0.787 428 E N 0.364 120.523 120.200 -0.068 0.000 2.049 428 E HA -0.043 4.308 4.350 0.002 0.000 0.198 428 E C 1.541 178.135 176.600 -0.009 0.000 1.007 428 E CA 1.678 58.045 56.400 -0.056 0.000 0.809 428 E CB -0.595 29.052 29.700 -0.089 0.000 0.749 428 E HN 0.388 nan 8.360 nan 0.000 0.450 429 G N -0.003 108.810 108.800 0.022 0.000 2.427 429 G HA2 0.252 4.213 3.960 0.002 0.000 0.306 429 G HA3 0.252 4.213 3.960 0.002 0.000 0.306 429 G C -1.680 173.272 174.900 0.087 0.000 1.280 429 G CA -0.630 44.502 45.100 0.053 0.000 0.837 429 G HN -0.005 nan 8.290 nan 0.000 0.482 430 E N 0.076 120.335 120.200 0.098 0.000 2.183 430 E HA 0.594 4.945 4.350 0.002 0.000 0.250 430 E C -0.782 175.927 176.600 0.182 0.000 0.901 430 E CA -0.480 55.995 56.400 0.124 0.000 0.741 430 E CB 0.627 30.368 29.700 0.068 0.000 1.182 430 E HN 0.316 nan 8.360 nan 0.000 0.425 431 L N 2.763 124.127 121.223 0.234 0.000 2.395 431 L HA 0.701 5.042 4.340 0.002 0.000 0.269 431 L C 0.177 177.261 176.870 0.358 0.000 1.133 431 L CA -0.214 54.786 54.840 0.267 0.000 0.812 431 L CB 1.507 43.718 42.059 0.254 0.000 1.125 431 L HN 0.618 nan 8.230 nan 0.000 0.452 432 A N 2.720 125.723 122.820 0.305 0.000 2.401 432 A HA 0.939 5.260 4.320 0.002 0.000 0.310 432 A C -1.089 176.628 177.584 0.222 0.000 1.075 432 A CA -0.409 51.758 52.037 0.215 0.000 0.746 432 A CB 1.264 20.366 19.000 0.170 0.000 1.277 432 A HN 0.611 nan 8.150 nan 0.000 0.425 433 F N -0.906 119.016 119.950 -0.046 0.000 2.741 433 F HA 0.821 5.349 4.527 0.002 0.000 0.313 433 F C -0.612 175.151 175.800 -0.061 0.000 1.153 433 F CA -0.569 57.409 58.000 -0.036 0.000 0.931 433 F CB 1.468 40.445 39.000 -0.038 0.000 1.335 433 F HN 0.730 nan 8.300 nan 0.000 0.460 434 S N 2.083 117.838 115.700 0.092 0.000 2.680 434 S HA 0.633 5.104 4.470 0.002 0.000 0.262 434 S C -1.531 173.140 174.600 0.119 0.000 1.138 434 S CA -0.479 57.725 58.200 0.006 0.000 1.072 434 S CB 0.190 63.377 63.200 -0.022 0.000 1.097 434 S HN 0.723 nan 8.310 nan 0.000 0.468 435 I N 4.323 124.981 120.570 0.146 0.000 2.321 435 I HA 0.573 4.744 4.170 0.002 0.000 0.291 435 I C -0.692 175.456 176.117 0.052 0.000 0.998 435 I CA -0.964 60.391 61.300 0.093 0.000 1.227 435 I CB 1.815 39.862 38.000 0.078 0.000 1.368 435 I HN 0.297 nan 8.210 nan 0.000 0.466 436 V N 6.048 125.988 119.914 0.043 0.000 2.525 436 V HA 0.363 4.484 4.120 0.002 0.000 0.299 436 V C -0.474 175.642 176.094 0.037 0.000 1.034 436 V CA -0.753 61.570 62.300 0.039 0.000 0.863 436 V CB 1.857 33.709 31.823 0.048 0.000 0.999 436 V HN 0.670 nan 8.190 nan 0.000 0.423 437 N N 4.277 122.999 118.700 0.037 0.000 2.446 437 N HA 0.454 5.195 4.740 0.002 0.000 0.265 437 N C -0.982 174.632 175.510 0.173 0.000 0.975 437 N CA -0.295 52.794 53.050 0.063 0.000 0.928 437 N CB 1.995 40.442 38.487 -0.067 0.000 1.160 437 N HN 0.687 nan 8.380 nan 0.000 0.495 438 N N -0.045 118.749 118.700 0.156 0.000 2.284 438 N HA 0.384 5.125 4.740 0.002 0.000 0.300 438 N C 0.486 176.061 175.510 0.109 0.000 1.047 438 N CA -0.419 52.699 53.050 0.115 0.000 0.821 438 N CB 2.215 40.734 38.487 0.055 0.000 1.337 438 N HN 0.684 nan 8.380 nan 0.000 0.482 439 G N 1.155 109.959 108.800 0.007 0.000 2.176 439 G HA2 -0.234 3.727 3.960 0.002 0.000 0.253 439 G HA3 -0.234 3.727 3.960 0.002 0.000 0.253 439 G C 0.002 174.892 174.900 -0.017 0.000 0.979 439 G CA 0.081 45.168 45.100 -0.021 0.000 0.641 439 G HN 0.842 nan 8.290 nan 0.000 0.530 440 H N 0.048 119.119 119.070 0.003 0.000 2.690 440 H HA 0.624 5.181 4.556 0.002 0.000 0.365 440 H C 1.040 176.369 175.328 0.002 0.000 1.142 440 H CA 0.276 56.324 56.048 0.000 0.000 1.417 440 H CB 0.981 30.741 29.762 -0.004 0.000 1.446 440 H HN -0.010 nan 8.280 nan 0.000 0.599 441 S N 1.092 116.824 115.700 0.053 0.000 2.503 441 S HA 0.147 4.618 4.470 0.002 0.000 0.217 441 S C 1.279 175.891 174.600 0.020 0.000 0.999 441 S CA 0.247 58.447 58.200 0.001 0.000 0.914 441 S CB 0.220 63.428 63.200 0.012 0.000 0.782 441 S HN 0.894 nan 8.310 nan 0.000 0.520 442 G N 1.546 110.400 108.800 0.089 0.000 2.890 442 G HA2 0.572 4.533 3.960 0.002 0.000 0.189 442 G HA3 0.572 4.533 3.960 0.002 0.000 0.189 442 G C -2.798 172.181 174.900 0.132 0.000 1.342 442 G CA -1.190 43.960 45.100 0.083 0.000 1.026 442 G HN 0.127 nan 8.290 nan 0.000 0.579 443 P HA 0.395 nan 4.420 nan 0.000 0.272 443 P C -0.092 177.270 177.300 0.103 0.000 1.240 443 P CA -0.130 63.016 63.100 0.075 0.000 0.791 443 P CB 0.413 32.129 31.700 0.027 0.000 0.978 444 A N 2.985 125.847 122.820 0.071 0.000 2.567 444 A HA 0.149 4.470 4.320 0.002 0.000 0.240 444 A C -1.580 175.939 177.584 -0.109 0.000 1.053 444 A CA -0.578 51.456 52.037 -0.005 0.000 0.755 444 A CB -1.097 17.901 19.000 -0.004 0.000 0.978 444 A HN 0.426 nan 8.150 nan 0.000 0.507 445 P HA 0.104 nan 4.420 nan 0.000 0.226 445 P C 0.629 177.850 177.300 -0.131 0.000 1.783 445 P CA 0.005 62.990 63.100 -0.192 0.000 0.980 445 P CB -0.068 31.465 31.700 -0.277 0.000 1.967 446 L N 0.318 121.486 121.223 -0.092 0.000 2.191 446 L HA -0.136 4.205 4.340 0.002 0.000 0.212 446 L C 2.518 179.349 176.870 -0.066 0.000 1.103 446 L CA 1.436 56.234 54.840 -0.070 0.000 0.769 446 L CB -0.912 41.115 42.059 -0.052 0.000 0.908 446 L HN 0.128 nan 8.230 nan 0.000 0.438 447 A N -0.090 122.691 122.820 -0.064 0.000 1.930 447 A HA -0.085 4.236 4.320 0.002 0.000 0.217 447 A C 2.332 179.874 177.584 -0.070 0.000 1.175 447 A CA 1.389 53.391 52.037 -0.059 0.000 0.627 447 A CB -0.566 18.404 19.000 -0.049 0.000 0.815 447 A HN 0.172 nan 8.150 nan 0.000 0.443 448 V N 0.022 119.888 119.914 -0.080 0.000 2.229 448 V HA -0.329 3.792 4.120 0.002 0.000 0.243 448 V C 2.589 178.624 176.094 -0.099 0.000 1.042 448 V CA 2.202 64.448 62.300 -0.089 0.000 1.000 448 V CB -1.240 30.525 31.823 -0.096 0.000 0.637 448 V HN 0.642 nan 8.190 nan 0.000 0.446 449 Q N -0.094 119.650 119.800 -0.093 0.000 2.118 449 Q HA -0.317 4.024 4.340 0.002 0.000 0.211 449 Q C 2.047 177.987 176.000 -0.100 0.000 0.998 449 Q CA 2.258 58.010 55.803 -0.084 0.000 0.872 449 Q CB -0.412 28.293 28.738 -0.055 0.000 0.925 449 Q HN 0.620 nan 8.270 nan 0.000 0.414 450 D N 0.091 120.440 120.400 -0.085 0.000 2.092 450 D HA -0.140 4.501 4.640 0.002 0.000 0.193 450 D C 1.834 178.072 176.300 -0.104 0.000 0.994 450 D CA 1.471 55.420 54.000 -0.084 0.000 0.828 450 D CB -0.403 40.358 40.800 -0.064 0.000 0.963 450 D HN 0.305 nan 8.370 nan 0.000 0.450 451 A N 0.673 123.434 122.820 -0.098 0.000 1.884 451 A HA -0.228 4.093 4.320 0.002 0.000 0.219 451 A C 2.382 179.885 177.584 -0.135 0.000 1.197 451 A CA 1.505 53.483 52.037 -0.100 0.000 0.637 451 A CB -0.924 18.022 19.000 -0.089 0.000 0.827 451 A HN 0.255 nan 8.150 nan 0.000 0.450 452 I N -0.469 119.997 120.570 -0.173 0.000 2.076 452 I HA -0.305 3.866 4.170 0.002 0.000 0.237 452 I C 3.051 178.990 176.117 -0.297 0.000 1.059 452 I CA 1.220 62.376 61.300 -0.240 0.000 1.317 452 I CB -0.683 37.154 38.000 -0.272 0.000 1.037 452 I HN 0.376 nan 8.210 nan 0.000 0.398 453 A N 0.683 123.285 122.820 -0.362 0.000 1.903 453 A HA -0.219 4.102 4.320 0.002 0.000 0.219 453 A C 2.424 179.857 177.584 -0.251 0.000 1.191 453 A CA 2.415 54.182 52.037 -0.450 0.000 0.638 453 A CB -1.237 17.549 19.000 -0.357 0.000 0.823 453 A HN 0.297 nan 8.150 nan 0.000 0.451 454 V N -0.191 119.626 119.914 -0.161 0.000 2.407 454 V HA -0.247 3.874 4.120 0.002 0.000 0.248 454 V C 2.652 178.708 176.094 -0.064 0.000 1.055 454 V CA 2.388 64.633 62.300 -0.091 0.000 1.049 454 V CB -0.862 30.919 31.823 -0.069 0.000 0.662 454 V HN 0.659 nan 8.190 nan 0.000 0.455 455 R N 0.506 120.950 120.500 -0.093 0.000 2.075 455 R HA -0.068 4.273 4.340 0.002 0.000 0.232 455 R C 2.052 178.335 176.300 -0.029 0.000 1.126 455 R CA 1.679 57.742 56.100 -0.061 0.000 0.963 455 R CB -0.715 29.522 30.300 -0.105 0.000 0.858 455 R HN 0.486 nan 8.270 nan 0.000 0.435 456 L N -0.191 120.972 121.223 -0.101 0.000 2.083 456 L HA -0.075 4.266 4.340 0.002 0.000 0.209 456 L C 2.479 179.406 176.870 0.096 0.000 1.083 456 L CA 1.292 56.102 54.840 -0.050 0.000 0.752 456 L CB -0.733 41.216 42.059 -0.184 0.000 0.899 456 L HN 0.320 nan 8.230 nan 0.000 0.433 457 A N 0.355 123.211 122.820 0.059 0.000 1.877 457 A HA -0.209 4.112 4.320 0.002 0.000 0.216 457 A C 2.171 179.890 177.584 0.226 0.000 1.186 457 A CA 1.645 53.777 52.037 0.158 0.000 0.620 457 A CB -0.397 18.630 19.000 0.044 0.000 0.822 457 A HN 0.482 nan 8.150 nan 0.000 0.443 458 E N -1.652 118.635 120.200 0.144 0.000 2.077 458 E HA -0.214 4.137 4.350 0.002 0.000 0.193 458 E C 1.921 178.594 176.600 0.121 0.000 0.989 458 E CA 1.390 57.862 56.400 0.120 0.000 0.800 458 E CB -0.389 29.361 29.700 0.083 0.000 0.746 458 E HN 0.742 nan 8.360 nan 0.000 0.452 459 Y N 1.643 121.954 120.300 0.018 0.000 2.081 459 Y HA -0.244 4.307 4.550 0.002 0.000 0.280 459 Y C 2.203 178.108 175.900 0.009 0.000 1.163 459 Y CA 1.613 59.720 58.100 0.011 0.000 1.135 459 Y CB -0.337 38.130 38.460 0.011 0.000 0.970 459 Y HN -0.009 nan 8.280 nan 0.000 0.498 460 A N 0.044 122.975 122.820 0.184 0.000 2.263 460 A HA 0.269 4.590 4.320 0.002 0.000 0.205 460 A C 1.324 178.833 177.584 -0.126 0.000 1.226 460 A CA 0.841 52.921 52.037 0.073 0.000 0.810 460 A CB -1.733 17.388 19.000 0.202 0.000 0.784 460 A HN 1.023 nan 8.150 nan 0.000 0.486 461 G N -0.086 108.636 108.800 -0.131 0.000 2.531 461 G HA2 -0.136 3.825 3.960 0.002 0.000 0.283 461 G HA3 -0.136 3.825 3.960 0.002 0.000 0.283 461 G C -0.515 174.153 174.900 -0.387 0.000 1.068 461 G CA 0.157 45.129 45.100 -0.213 0.000 1.273 461 G HN 0.719 nan 8.290 nan 0.000 0.532 462 H N 0.278 119.353 119.070 0.009 0.000 2.954 462 H HA 0.440 4.997 4.556 0.002 0.000 0.361 462 H C -0.105 175.227 175.328 0.007 0.000 1.122 462 H CA -0.428 55.626 56.048 0.011 0.000 1.217 462 H CB 1.847 31.620 29.762 0.019 0.000 1.776 462 H HN 0.566 nan 8.280 nan 0.000 0.533 463 Q N 0.666 120.550 119.800 0.140 0.000 2.348 463 Q HA 0.626 4.967 4.340 0.002 0.000 0.271 463 Q C -0.408 175.628 176.000 0.059 0.000 1.067 463 Q CA -1.283 54.564 55.803 0.074 0.000 0.839 463 Q CB 2.904 31.669 28.738 0.044 0.000 1.354 463 Q HN 0.720 nan 8.270 nan 0.000 0.447 464 A N 3.750 126.592 122.820 0.036 0.000 2.496 464 A HA 0.207 4.528 4.320 0.002 0.000 0.278 464 A C -1.601 175.995 177.584 0.020 0.000 1.137 464 A CA -0.764 51.285 52.037 0.020 0.000 0.805 464 A CB -0.767 18.240 19.000 0.012 0.000 1.077 464 A HN 0.452 nan 8.150 nan 0.000 0.513 465 P HA 0.598 nan 4.420 nan 0.000 0.285 465 P C 0.006 177.313 177.300 0.012 0.000 1.282 465 P CA 0.745 63.855 63.100 0.018 0.000 0.778 465 P CB 0.502 32.211 31.700 0.016 0.000 1.222 466 E N 0.000 120.207 120.200 0.011 0.000 2.725 466 E HA 0.000 4.351 4.350 0.002 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440