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 2wke_1_A DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA 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 0.000 176.452 176.300 0.253 0.000 0.893 1 R CA 0.000 56.195 56.100 0.158 0.000 0.921 1 R CB 0.000 30.376 30.300 0.127 0.000 0.687 2 L N 1.031 122.365 121.223 0.185 0.000 2.044 2 L HA -0.074 4.265 4.340 -0.002 0.000 0.205 2 L C 1.554 178.465 176.870 0.067 0.000 1.075 2 L CA 2.002 56.912 54.840 0.118 0.000 0.747 2 L CB -0.138 41.975 42.059 0.091 0.000 0.903 2 L HN 0.090 nan 8.230 nan 0.000 0.435 3 T N -1.035 113.559 114.554 0.066 0.000 2.746 3 T HA -0.165 4.184 4.350 -0.002 0.000 0.267 3 T C 1.684 176.415 174.700 0.053 0.000 1.039 3 T CA 1.055 63.185 62.100 0.051 0.000 1.142 3 T CB -0.155 68.737 68.868 0.041 0.000 0.866 3 T HN 0.319 nan 8.240 nan 0.000 0.444 4 E N 0.898 121.135 120.200 0.061 0.000 2.077 4 E HA -0.061 4.288 4.350 -0.002 0.000 0.193 4 E C 2.251 178.878 176.600 0.044 0.000 0.989 4 E CA 0.669 57.102 56.400 0.055 0.000 0.800 4 E CB -0.460 29.280 29.700 0.065 0.000 0.746 4 E HN 0.312 nan 8.360 nan 0.000 0.452 5 L N 1.445 122.693 121.223 0.041 0.000 2.046 5 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 5 L C 2.297 179.150 176.870 -0.028 0.000 1.077 5 L CA 1.702 56.516 54.840 -0.043 0.000 0.747 5 L CB -0.227 41.693 42.059 -0.232 0.000 0.896 5 L HN -0.072 nan 8.230 nan 0.000 0.432 6 R N -0.484 120.048 120.500 0.053 0.000 2.075 6 R HA -0.127 4.212 4.340 -0.002 0.000 0.232 6 R C 2.147 178.533 176.300 0.144 0.000 1.126 6 R CA 1.709 57.917 56.100 0.179 0.000 0.963 6 R CB -0.344 30.045 30.300 0.147 0.000 0.858 6 R HN 0.512 nan 8.270 nan 0.000 0.435 7 E N 0.372 120.615 120.200 0.072 0.000 2.110 7 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 7 E C 1.357 177.971 176.600 0.024 0.000 0.988 7 E CA 1.230 57.660 56.400 0.050 0.000 0.804 7 E CB -0.010 29.710 29.700 0.034 0.000 0.745 7 E HN 0.328 nan 8.360 nan 0.000 0.458 8 D N 0.662 121.060 120.400 -0.003 0.000 2.103 8 D HA -0.092 4.547 4.640 -0.002 0.000 0.199 8 D C 2.012 178.264 176.300 -0.079 0.000 0.978 8 D CA 0.796 54.774 54.000 -0.037 0.000 0.829 8 D CB -0.164 40.610 40.800 -0.044 0.000 0.981 8 D HN 0.172 nan 8.370 nan 0.000 0.464 9 I N 1.111 121.593 120.570 -0.146 0.000 2.202 9 I HA -0.240 3.929 4.170 -0.002 0.000 0.242 9 I C 1.856 177.896 176.117 -0.129 0.000 1.091 9 I CA 0.954 62.086 61.300 -0.280 0.000 1.368 9 I CB -0.197 37.355 38.000 -0.747 0.000 1.058 9 I HN -0.136 nan 8.210 nan 0.000 0.410 10 D N 1.365 121.786 120.400 0.034 0.000 2.177 10 D HA -0.271 4.368 4.640 -0.002 0.000 0.189 10 D C 2.225 178.543 176.300 0.031 0.000 1.002 10 D CA 2.060 56.120 54.000 0.101 0.000 0.845 10 D CB -0.407 40.461 40.800 0.113 0.000 0.960 10 D HN 0.384 nan 8.370 nan 0.000 0.447 11 A N 0.224 123.049 122.820 0.008 0.000 1.908 11 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 11 A C 2.452 180.024 177.584 -0.021 0.000 1.181 11 A CA 1.344 53.378 52.037 -0.005 0.000 0.627 11 A CB -0.832 18.164 19.000 -0.008 0.000 0.818 11 A HN 0.272 nan 8.150 nan 0.000 0.445 12 I N -0.322 120.221 120.570 -0.044 0.000 2.208 12 I HA -0.265 3.904 4.170 -0.002 0.000 0.245 12 I C 2.093 178.183 176.117 -0.045 0.000 1.097 12 I CA 1.152 62.417 61.300 -0.058 0.000 1.363 12 I CB -0.276 37.667 38.000 -0.095 0.000 1.051 12 I HN 0.266 nan 8.210 nan 0.000 0.413 13 L N 0.102 121.305 121.223 -0.034 0.000 2.465 13 L HA -0.132 4.207 4.340 -0.002 0.000 0.224 13 L C 2.068 178.941 176.870 0.004 0.000 1.145 13 L CA 0.505 55.339 54.840 -0.009 0.000 0.834 13 L CB -0.409 41.666 42.059 0.026 0.000 0.944 13 L HN 0.178 nan 8.230 nan 0.000 0.451 14 E N -0.162 120.038 120.200 0.001 0.000 2.347 14 E HA -0.101 4.248 4.350 -0.002 0.000 0.196 14 E C 0.604 177.202 176.600 -0.003 0.000 1.008 14 E CA 0.120 56.522 56.400 0.003 0.000 0.852 14 E CB -0.254 29.448 29.700 0.003 0.000 0.783 14 E HN 0.262 nan 8.360 nan 0.000 0.505 15 D N 0.254 120.647 120.400 -0.012 0.000 2.648 15 D HA -0.114 4.525 4.640 -0.002 0.000 0.229 15 D C -1.573 174.721 176.300 -0.010 0.000 1.119 15 D CA -0.789 53.201 54.000 -0.016 0.000 0.850 15 D CB 1.060 41.843 40.800 -0.028 0.000 1.169 15 D HN -0.044 nan 8.370 nan 0.000 0.489 16 P HA -0.173 nan 4.420 nan 0.000 0.217 16 P C 0.923 178.223 177.300 0.000 0.000 1.148 16 P CA 1.591 64.690 63.100 -0.002 0.000 0.834 16 P CB 0.053 31.750 31.700 -0.004 0.000 0.783 17 A N -1.115 121.700 122.820 -0.009 0.000 2.131 17 A HA -0.111 4.208 4.320 -0.002 0.000 0.220 17 A C 1.854 179.439 177.584 0.003 0.000 1.158 17 A CA 1.126 53.157 52.037 -0.010 0.000 0.665 17 A CB -1.309 17.668 19.000 -0.039 0.000 0.795 17 A HN 0.205 nan 8.150 nan 0.000 0.460 18 L N -0.492 120.732 121.223 0.003 0.000 2.700 18 L HA 0.155 4.494 4.340 -0.002 0.000 0.234 18 L C 0.556 177.447 176.870 0.036 0.000 1.156 18 L CA -0.279 54.573 54.840 0.020 0.000 0.946 18 L CB -0.043 42.018 42.059 0.004 0.000 1.216 18 L HN 0.399 nan 8.230 nan 0.000 0.493 19 E N 0.687 120.906 120.200 0.032 0.000 2.415 19 E HA 0.130 4.479 4.350 -0.002 0.000 0.260 19 E C 1.247 177.868 176.600 0.035 0.000 1.016 19 E CA 0.795 57.212 56.400 0.028 0.000 0.924 19 E CB 0.390 30.102 29.700 0.020 0.000 0.961 19 E HN 0.346 nan 8.360 nan 0.000 0.459 20 G N 2.737 111.554 108.800 0.029 0.000 2.175 20 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.265 20 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.265 20 G C 0.230 175.151 174.900 0.036 0.000 0.979 20 G CA 0.263 45.379 45.100 0.026 0.000 0.663 20 G HN 0.790 nan 8.290 nan 0.000 0.533 21 A N -0.746 122.108 122.820 0.057 0.000 2.293 21 A HA 0.782 5.101 4.320 -0.002 0.000 0.302 21 A C 0.205 177.827 177.584 0.063 0.000 1.119 21 A CA -0.019 52.067 52.037 0.082 0.000 0.823 21 A CB 1.541 20.627 19.000 0.144 0.000 1.097 21 A HN 1.089 nan 8.150 nan 0.000 0.491 22 V N 1.840 121.793 119.914 0.065 0.000 2.370 22 V HA 0.506 4.625 4.120 -0.002 0.000 0.283 22 V C 0.000 176.135 176.094 0.067 0.000 1.023 22 V CA -0.248 62.085 62.300 0.055 0.000 0.857 22 V CB 1.253 33.101 31.823 0.041 0.000 0.985 22 V HN 0.827 nan 8.190 nan 0.000 0.443 23 S N 3.013 118.751 115.700 0.062 0.000 2.605 23 S HA 0.679 5.148 4.470 -0.002 0.000 0.308 23 S C 0.251 174.894 174.600 0.071 0.000 1.113 23 S CA -0.586 57.654 58.200 0.066 0.000 1.049 23 S CB 1.790 65.025 63.200 0.058 0.000 1.001 23 S HN 1.025 nan 8.310 nan 0.000 0.480 24 G N 1.509 110.352 108.800 0.073 0.000 2.335 24 G HA2 0.569 4.528 3.960 -0.002 0.000 0.314 24 G HA3 0.569 4.528 3.960 -0.002 0.000 0.314 24 G C -0.956 174.005 174.900 0.102 0.000 1.129 24 G CA -0.488 44.660 45.100 0.080 0.000 0.912 24 G HN 0.600 nan 8.290 nan 0.000 0.443 25 V N 3.214 123.212 119.914 0.140 0.000 2.462 25 V HA 0.426 4.545 4.120 -0.002 0.000 0.288 25 V C -0.522 175.724 176.094 0.255 0.000 1.020 25 V CA -0.665 61.750 62.300 0.191 0.000 0.857 25 V CB 1.564 33.516 31.823 0.214 0.000 1.013 25 V HN 0.548 nan 8.190 nan 0.000 0.431 26 V N 5.429 125.466 119.914 0.205 0.000 2.577 26 V HA 0.623 4.742 4.120 -0.002 0.000 0.303 26 V C -0.507 175.703 176.094 0.195 0.000 1.042 26 V CA -0.584 61.829 62.300 0.188 0.000 0.872 26 V CB 2.324 34.216 31.823 0.114 0.000 0.998 26 V HN 0.573 nan 8.190 nan 0.000 0.423 27 V N 5.186 125.217 119.914 0.196 0.000 2.588 27 V HA 0.703 4.822 4.120 -0.002 0.000 0.304 27 V C -0.570 175.597 176.094 0.122 0.000 1.042 27 V CA -0.608 61.789 62.300 0.162 0.000 0.877 27 V CB 2.154 34.038 31.823 0.101 0.000 0.996 27 V HN 0.581 nan 8.190 nan 0.000 0.425 28 V N 2.599 122.586 119.914 0.123 0.000 2.888 28 V HA 0.441 4.560 4.120 -0.002 0.000 0.309 28 V C -1.196 174.974 176.094 0.127 0.000 1.114 28 V CA -0.615 61.750 62.300 0.108 0.000 0.940 28 V CB 2.554 34.435 31.823 0.097 0.000 1.021 28 V HN 0.984 nan 8.190 nan 0.000 0.426 29 D N 2.524 122.995 120.400 0.118 0.000 2.325 29 D HA 0.214 4.853 4.640 -0.002 0.000 0.251 29 D C 1.048 177.418 176.300 0.116 0.000 1.196 29 D CA 0.355 54.434 54.000 0.131 0.000 0.866 29 D CB 1.830 42.707 40.800 0.129 0.000 1.101 29 D HN 0.546 nan 8.370 nan 0.000 0.476 30 T N 2.420 117.053 114.554 0.133 0.000 3.035 30 T HA -0.006 4.343 4.350 -0.002 0.000 0.268 30 T C 1.524 176.274 174.700 0.084 0.000 1.109 30 T CA 1.192 63.365 62.100 0.122 0.000 1.119 30 T CB 0.146 69.115 68.868 0.169 0.000 0.900 30 T HN 0.529 nan 8.240 nan 0.000 0.503 31 A N 1.412 124.278 122.820 0.077 0.000 1.850 31 A HA 0.005 4.324 4.320 -0.002 0.000 0.212 31 A C 2.468 180.081 177.584 0.048 0.000 1.208 31 A CA 1.627 53.696 52.037 0.054 0.000 0.609 31 A CB -0.861 18.169 19.000 0.050 0.000 0.860 31 A HN 0.538 nan 8.150 nan 0.000 0.448 32 T N -4.063 110.525 114.554 0.056 0.000 3.107 32 T HA 0.389 4.738 4.350 -0.002 0.000 0.249 32 T C 1.394 176.124 174.700 0.049 0.000 1.096 32 T CA 1.104 63.233 62.100 0.048 0.000 1.012 32 T CB 0.036 68.936 68.868 0.053 0.000 0.977 32 T HN 1.705 nan 8.240 nan 0.000 0.527 33 G N 1.421 110.255 108.800 0.057 0.000 2.186 33 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.266 33 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.266 33 G C -0.064 174.870 174.900 0.056 0.000 0.982 33 G CA 0.490 45.623 45.100 0.055 0.000 0.670 33 G HN 0.863 nan 8.290 nan 0.000 0.533 34 E N 0.683 120.920 120.200 0.063 0.000 2.414 34 E HA 0.369 4.718 4.350 -0.002 0.000 0.263 34 E C 0.479 177.116 176.600 0.062 0.000 1.000 34 E CA -0.002 56.435 56.400 0.062 0.000 0.914 34 E CB 0.307 30.053 29.700 0.075 0.000 0.948 34 E HN 0.446 nan 8.360 nan 0.000 0.444 35 E N 4.126 124.355 120.200 0.048 0.000 2.152 35 E HA 0.106 4.455 4.350 -0.002 0.000 0.285 35 E C 0.098 176.722 176.600 0.039 0.000 1.043 35 E CA -0.106 56.319 56.400 0.042 0.000 0.839 35 E CB 0.462 30.176 29.700 0.024 0.000 1.069 35 E HN 0.690 nan 8.360 nan 0.000 0.399 36 L N 4.424 125.676 121.223 0.048 0.000 2.470 36 L HA 0.265 4.604 4.340 -0.002 0.000 0.219 36 L C -0.193 176.729 176.870 0.087 0.000 1.071 36 L CA -0.086 54.770 54.840 0.026 0.000 0.850 36 L CB 0.384 42.419 42.059 -0.041 0.000 1.040 36 L HN 0.579 nan 8.230 nan 0.000 0.475 37 Y N -0.815 119.461 120.300 -0.041 0.000 2.521 37 Y HA 0.424 4.972 4.550 -0.002 0.000 0.326 37 Y C -1.184 174.712 175.900 -0.006 0.000 1.176 37 Y CA -0.921 57.158 58.100 -0.035 0.000 1.079 37 Y CB 1.820 40.247 38.460 -0.055 0.000 1.341 37 Y HN -0.244 nan 8.280 nan 0.000 0.456 38 S N 4.992 120.478 115.700 -0.358 0.000 2.653 38 S HA 0.602 5.071 4.470 -0.002 0.000 0.268 38 S C -2.080 172.350 174.600 -0.283 0.000 1.153 38 S CA -0.601 57.501 58.200 -0.163 0.000 1.036 38 S CB 0.717 63.865 63.200 -0.087 0.000 1.103 38 S HN 0.774 nan 8.310 nan 0.000 0.466 39 R N 3.361 123.804 120.500 -0.094 0.000 2.451 39 R HA 0.484 4.823 4.340 -0.002 0.000 0.307 39 R C -0.726 175.591 176.300 0.028 0.000 0.965 39 R CA -0.132 55.944 56.100 -0.039 0.000 0.865 39 R CB 0.459 30.819 30.300 0.100 0.000 1.174 39 R HN 0.671 nan 8.270 nan 0.000 0.455 40 D N 3.081 123.485 120.400 0.006 0.000 2.751 40 D HA -0.158 4.481 4.640 -0.002 0.000 0.233 40 D C 0.653 176.973 176.300 0.033 0.000 1.149 40 D CA 1.467 55.480 54.000 0.022 0.000 0.682 40 D CB -0.699 40.121 40.800 0.034 0.000 1.068 40 D HN 0.908 nan 8.370 nan 0.000 0.429 41 G N -0.049 108.769 108.800 0.030 0.000 2.625 41 G HA2 0.069 4.028 3.960 -0.002 0.000 0.214 41 G HA3 0.069 4.028 3.960 -0.002 0.000 0.214 41 G C 1.411 176.333 174.900 0.036 0.000 1.132 41 G CA 0.807 45.931 45.100 0.041 0.000 0.782 41 G HN 0.446 nan 8.290 nan 0.000 0.538 42 G N -0.574 108.241 108.800 0.025 0.000 3.159 42 G HA2 0.282 4.241 3.960 -0.002 0.000 0.232 42 G HA3 0.282 4.241 3.960 -0.002 0.000 0.232 42 G C 0.140 175.052 174.900 0.019 0.000 1.116 42 G CA -0.269 44.844 45.100 0.021 0.000 0.767 42 G HN 0.313 nan 8.290 nan 0.000 0.547 43 E N 1.262 121.477 120.200 0.024 0.000 2.257 43 E HA 0.244 4.593 4.350 -0.002 0.000 0.278 43 E C 0.250 176.864 176.600 0.023 0.000 1.049 43 E CA -0.141 56.272 56.400 0.022 0.000 0.876 43 E CB 0.371 30.087 29.700 0.027 0.000 1.035 43 E HN 0.252 nan 8.360 nan 0.000 0.419 44 Q N 3.637 123.446 119.800 0.015 0.000 2.293 44 Q HA 0.310 4.649 4.340 -0.002 0.000 0.263 44 Q C -0.547 175.464 176.000 0.017 0.000 1.002 44 Q CA 0.126 55.936 55.803 0.011 0.000 0.910 44 Q CB 0.649 29.387 28.738 0.001 0.000 1.185 44 Q HN 0.468 nan 8.270 nan 0.000 0.401 45 L N 2.031 123.268 121.223 0.023 0.000 2.371 45 L HA 0.418 4.757 4.340 -0.002 0.000 0.262 45 L C -0.731 176.159 176.870 0.033 0.000 1.006 45 L CA -1.245 53.614 54.840 0.032 0.000 0.818 45 L CB 1.532 43.618 42.059 0.045 0.000 1.354 45 L HN 0.368 nan 8.230 nan 0.000 0.415 46 L N 3.872 125.117 121.223 0.036 0.000 2.477 46 L HA 0.112 4.451 4.340 -0.002 0.000 0.272 46 L C -1.391 175.511 176.870 0.053 0.000 1.157 46 L CA -0.667 54.198 54.840 0.042 0.000 0.889 46 L CB 0.316 42.400 42.059 0.042 0.000 1.158 46 L HN 0.432 nan 8.230 nan 0.000 0.473 47 P HA 0.040 nan 4.420 nan 0.000 0.245 47 P C 0.804 178.143 177.300 0.064 0.000 1.203 47 P CA 0.807 63.954 63.100 0.077 0.000 0.792 47 P CB 0.745 32.514 31.700 0.116 0.000 0.997 48 A N 0.902 123.756 122.820 0.057 0.000 5.481 48 A HA -0.298 4.021 4.320 -0.002 0.000 0.318 48 A C 1.862 179.478 177.584 0.054 0.000 1.837 48 A CA 2.088 54.149 52.037 0.041 0.000 0.717 48 A CB -2.422 16.585 19.000 0.013 0.000 1.349 48 A HN 0.207 nan 8.150 nan 0.000 0.388 49 S N 0.831 116.546 115.700 0.025 0.000 2.595 49 S HA -0.065 4.404 4.470 -0.002 0.000 0.235 49 S C 1.348 175.963 174.600 0.026 0.000 0.974 49 S CA 1.097 59.313 58.200 0.027 0.000 0.942 49 S CB -0.626 62.565 63.200 -0.015 0.000 0.766 49 S HN 0.614 nan 8.310 nan 0.000 0.536 50 N N 1.498 120.220 118.700 0.036 0.000 2.443 50 N HA 0.007 4.746 4.740 -0.002 0.000 0.184 50 N C 1.397 177.006 175.510 0.165 0.000 1.037 50 N CA 0.453 53.529 53.050 0.043 0.000 0.896 50 N CB -0.352 38.161 38.487 0.044 0.000 0.959 50 N HN 0.235 nan 8.380 nan 0.000 0.442 51 M N 1.012 120.745 119.600 0.221 0.000 2.202 51 M HA -0.102 4.377 4.480 -0.002 0.000 0.262 51 M C 1.292 177.793 176.300 0.335 0.000 1.063 51 M CA 1.477 56.980 55.300 0.339 0.000 1.097 51 M CB -0.109 32.627 32.600 0.227 0.000 1.382 51 M HN -0.029 nan 8.290 nan 0.000 0.413 52 K N -0.663 119.857 120.400 0.201 0.000 2.283 52 K HA -0.087 4.232 4.320 -0.002 0.000 0.202 52 K C 1.828 178.517 176.600 0.149 0.000 1.048 52 K CA 0.939 57.339 56.287 0.187 0.000 0.948 52 K CB -0.319 32.195 32.500 0.024 0.000 0.742 52 K HN 0.391 nan 8.250 nan 0.000 0.458 53 L N -0.184 121.072 121.223 0.055 0.000 2.012 53 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 53 L C 2.148 179.090 176.870 0.120 0.000 1.073 53 L CA 1.557 56.419 54.840 0.037 0.000 0.748 53 L CB -0.525 41.399 42.059 -0.225 0.000 0.891 53 L HN 0.109 nan 8.230 nan 0.000 0.431 54 F N -0.157 119.928 119.950 0.224 0.000 2.102 54 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 54 F C 2.710 178.606 175.800 0.160 0.000 1.105 54 F CA 1.624 59.724 58.000 0.166 0.000 1.239 54 F CB -1.166 37.905 39.000 0.119 0.000 0.991 54 F HN 0.006 nan 8.300 nan 0.000 0.474 55 T N 0.059 114.829 114.554 0.360 0.000 2.684 55 T HA -0.232 4.117 4.350 -0.002 0.000 0.267 55 T C 2.268 177.125 174.700 0.262 0.000 1.036 55 T CA 1.407 63.681 62.100 0.291 0.000 1.148 55 T CB -0.750 68.323 68.868 0.340 0.000 0.863 55 T HN 0.321 nan 8.240 nan 0.000 0.436 56 A N 1.460 124.485 122.820 0.342 0.000 1.898 56 A HA 0.229 4.548 4.320 -0.002 0.000 0.216 56 A C 2.674 180.315 177.584 0.095 0.000 1.181 56 A CA 1.739 53.980 52.037 0.340 0.000 0.620 56 A CB -1.129 18.120 19.000 0.415 0.000 0.819 56 A HN 0.513 nan 8.150 nan 0.000 0.442 57 A N -0.176 122.683 122.820 0.064 0.000 1.933 57 A HA 0.178 4.497 4.320 -0.002 0.000 0.218 57 A C 2.470 179.887 177.584 -0.278 0.000 1.175 57 A CA 2.023 53.855 52.037 -0.341 0.000 0.628 57 A CB -0.907 17.945 19.000 -0.247 0.000 0.814 57 A HN 1.012 nan 8.150 nan 0.000 0.444 58 A N -0.260 122.531 122.820 -0.048 0.000 1.930 58 A HA 0.240 4.559 4.320 -0.002 0.000 0.217 58 A C 2.467 180.008 177.584 -0.072 0.000 1.175 58 A CA 1.818 53.847 52.037 -0.013 0.000 0.627 58 A CB -0.889 18.150 19.000 0.065 0.000 0.815 58 A HN 0.990 nan 8.150 nan 0.000 0.443 59 A N -0.223 122.556 122.820 -0.068 0.000 1.930 59 A HA 0.004 4.323 4.320 -0.002 0.000 0.217 59 A C 2.140 179.617 177.584 -0.177 0.000 1.175 59 A CA 1.374 53.365 52.037 -0.076 0.000 0.627 59 A CB -0.551 18.447 19.000 -0.003 0.000 0.815 59 A HN 0.461 nan 8.150 nan 0.000 0.443 60 L N -0.705 120.296 121.223 -0.371 0.000 2.083 60 L HA -0.161 4.178 4.340 -0.002 0.000 0.209 60 L C 2.694 179.285 176.870 -0.465 0.000 1.083 60 L CA 1.176 55.633 54.840 -0.638 0.000 0.752 60 L CB -0.480 40.682 42.059 -1.495 0.000 0.899 60 L HN 0.348 nan 8.230 nan 0.000 0.433 61 E N -0.121 119.896 120.200 -0.304 0.000 2.051 61 E HA -0.158 4.191 4.350 -0.002 0.000 0.192 61 E C 2.302 178.907 176.600 0.007 0.000 0.991 61 E CA 1.302 57.709 56.400 0.013 0.000 0.799 61 E CB -0.201 29.553 29.700 0.090 0.000 0.748 61 E HN 0.302 nan 8.360 nan 0.000 0.449 62 V N 1.044 120.935 119.914 -0.039 0.000 2.346 62 V HA -0.155 3.964 4.120 -0.002 0.000 0.244 62 V C 2.434 178.491 176.094 -0.061 0.000 1.037 62 V CA 1.235 63.515 62.300 -0.034 0.000 1.029 62 V CB -0.362 31.435 31.823 -0.042 0.000 0.663 62 V HN 0.150 nan 8.190 nan 0.000 0.454 63 L N -0.418 120.730 121.223 -0.126 0.000 2.298 63 L HA 0.490 4.829 4.340 -0.002 0.000 0.209 63 L C 1.139 177.977 176.870 -0.053 0.000 1.084 63 L CA 0.790 55.488 54.840 -0.237 0.000 0.816 63 L CB -0.463 41.285 42.059 -0.518 0.000 0.967 63 L HN 0.546 nan 8.230 nan 0.000 0.460 64 G N -0.608 108.169 108.800 -0.039 0.000 2.692 64 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.686 64 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.686 64 G C 0.530 175.449 174.900 0.031 0.000 1.243 64 G CA -0.325 44.791 45.100 0.026 0.000 0.782 64 G HN 0.177 nan 8.290 nan 0.000 0.625 65 A N 0.361 123.217 122.820 0.061 0.000 2.024 65 A HA 0.022 4.341 4.320 -0.002 0.000 0.220 65 A C 2.012 179.643 177.584 0.079 0.000 1.164 65 A CA 2.520 54.610 52.037 0.088 0.000 0.643 65 A CB -0.348 18.742 19.000 0.151 0.000 0.806 65 A HN 1.530 nan 8.150 nan 0.000 0.451 66 D N -1.712 118.727 120.400 0.065 0.000 2.340 66 D HA 0.021 4.660 4.640 -0.002 0.000 0.220 66 D C 0.526 176.812 176.300 -0.025 0.000 1.039 66 D CA -0.162 53.853 54.000 0.025 0.000 0.866 66 D CB -0.935 39.875 40.800 0.017 0.000 0.913 66 D HN 0.592 nan 8.370 nan 0.000 0.523 67 H N 0.663 119.659 119.070 -0.123 0.000 2.732 67 H HA 0.351 4.906 4.556 -0.001 0.000 0.351 67 H C 0.109 175.194 175.328 -0.405 0.000 1.090 67 H CA 0.270 56.162 56.048 -0.259 0.000 1.431 67 H CB 0.709 30.302 29.762 -0.281 0.000 1.447 67 H HN 0.079 nan 8.280 nan 0.000 0.582 68 S N 3.291 118.495 115.700 -0.826 0.000 2.667 68 S HA 0.599 5.068 4.470 -0.002 0.000 0.292 68 S C -1.296 172.747 174.600 -0.928 0.000 1.126 68 S CA -0.974 56.823 58.200 -0.671 0.000 0.881 68 S CB 1.412 64.401 63.200 -0.352 0.000 1.132 68 S HN 0.397 nan 8.310 nan 0.000 0.492 69 F N 0.067 119.928 119.950 -0.147 0.000 2.508 69 F HA 0.759 5.285 4.527 -0.002 0.000 0.325 69 F C 0.874 176.554 175.800 -0.200 0.000 1.090 69 F CA -0.476 57.444 58.000 -0.133 0.000 0.945 69 F CB 2.145 41.107 39.000 -0.065 0.000 1.156 69 F HN 0.969 nan 8.300 nan 0.000 0.463 70 G N 0.371 109.113 108.800 -0.096 0.000 2.432 70 G HA2 0.650 4.609 3.960 -0.002 0.000 0.331 70 G HA3 0.650 4.609 3.960 -0.002 0.000 0.331 70 G C -1.381 173.418 174.900 -0.168 0.000 1.170 70 G CA -0.673 44.329 45.100 -0.164 0.000 0.943 70 G HN 0.529 nan 8.290 nan 0.000 0.483 71 T N 1.088 115.570 114.554 -0.120 0.000 2.886 71 T HA 0.523 4.872 4.350 -0.002 0.000 0.292 71 T C -0.719 173.916 174.700 -0.109 0.000 1.012 71 T CA -0.512 61.513 62.100 -0.125 0.000 0.982 71 T CB 2.172 70.990 68.868 -0.083 0.000 1.018 71 T HN 0.543 nan 8.240 nan 0.000 0.451 72 E N 1.128 121.250 120.200 -0.129 0.000 2.299 72 E HA 0.683 5.032 4.350 -0.002 0.000 0.265 72 E C -1.164 175.386 176.600 -0.083 0.000 0.911 72 E CA -1.033 55.314 56.400 -0.088 0.000 0.789 72 E CB 2.452 32.107 29.700 -0.076 0.000 1.246 72 E HN 0.260 nan 8.360 nan 0.000 0.427 73 V N 1.269 121.168 119.914 -0.025 0.000 2.409 73 V HA 0.662 4.781 4.120 -0.002 0.000 0.291 73 V C -0.528 175.640 176.094 0.123 0.000 1.020 73 V CA -0.648 61.677 62.300 0.041 0.000 0.848 73 V CB 1.262 33.137 31.823 0.086 0.000 0.990 73 V HN 0.744 nan 8.190 nan 0.000 0.430 74 A N 3.782 126.729 122.820 0.210 0.000 2.365 74 A HA 1.017 5.336 4.320 -0.002 0.000 0.318 74 A C -0.192 177.657 177.584 0.442 0.000 1.091 74 A CA -0.204 52.005 52.037 0.287 0.000 0.763 74 A CB 1.788 20.967 19.000 0.299 0.000 1.248 74 A HN 1.347 nan 8.150 nan 0.000 0.442 75 A N 0.357 123.361 122.820 0.307 0.000 2.387 75 A HA 0.698 5.017 4.320 -0.002 0.000 0.303 75 A C 0.612 178.026 177.584 -0.282 0.000 1.145 75 A CA -0.088 52.068 52.037 0.198 0.000 0.801 75 A CB 0.969 20.024 19.000 0.092 0.000 1.342 75 A HN 0.920 nan 8.150 nan 0.000 0.440 76 E N -0.334 119.328 120.200 -0.898 0.000 2.208 76 E HA -0.013 4.336 4.350 -0.002 0.000 0.193 76 E C 0.476 176.718 176.600 -0.596 0.000 0.988 76 E CA 1.177 56.733 56.400 -1.408 0.000 0.828 76 E CB 0.090 28.807 29.700 -1.638 0.000 0.763 76 E HN 0.723 nan 8.360 nan 0.000 0.478 77 S N -1.431 114.064 115.700 -0.341 0.000 2.596 77 S HA 0.684 5.153 4.470 -0.002 0.000 0.270 77 S C -0.479 174.056 174.600 -0.107 0.000 1.155 77 S CA -0.655 57.434 58.200 -0.185 0.000 0.827 77 S CB 1.530 64.636 63.200 -0.158 0.000 1.130 77 S HN 0.162 nan 8.310 nan 0.000 0.467 78 A N 1.938 124.719 122.820 -0.066 0.000 2.406 78 A HA 0.648 4.967 4.320 -0.002 0.000 0.243 78 A C -2.113 175.453 177.584 -0.029 0.000 1.082 78 A CA -1.078 50.938 52.037 -0.034 0.000 0.786 78 A CB -0.981 18.005 19.000 -0.024 0.000 1.029 78 A HN 0.761 nan 8.150 nan 0.000 0.495 79 P HA 0.254 nan 4.420 nan 0.000 0.271 79 P C 0.386 177.677 177.300 -0.015 0.000 1.218 79 P CA 0.305 63.398 63.100 -0.011 0.000 0.780 79 P CB 0.789 32.488 31.700 -0.003 0.000 0.901 80 G N 1.420 110.211 108.800 -0.015 0.000 2.695 80 G HA2 0.143 4.102 3.960 -0.002 0.000 0.213 80 G HA3 0.143 4.102 3.960 -0.002 0.000 0.213 80 G C 1.054 175.947 174.900 -0.011 0.000 1.406 80 G CA -0.463 44.628 45.100 -0.015 0.000 1.049 80 G HN 0.499 nan 8.290 nan 0.000 0.573 81 R N 0.103 120.597 120.500 -0.011 0.000 2.115 81 R HA -0.159 4.180 4.340 -0.002 0.000 0.239 81 R C 2.469 178.764 176.300 -0.008 0.000 1.133 81 R CA 2.098 58.192 56.100 -0.009 0.000 0.935 81 R CB -0.294 30.001 30.300 -0.009 0.000 0.853 81 R HN 0.576 nan 8.270 nan 0.000 0.433 82 R N -0.394 120.101 120.500 -0.009 0.000 2.328 82 R HA 0.136 4.475 4.340 -0.002 0.000 0.200 82 R C 0.834 177.129 176.300 -0.008 0.000 0.983 82 R CA 0.605 56.700 56.100 -0.008 0.000 1.062 82 R CB -0.114 30.181 30.300 -0.008 0.000 0.956 82 R HN 0.403 nan 8.270 nan 0.000 0.479 83 G N 1.414 110.209 108.800 -0.008 0.000 2.305 83 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.287 83 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.287 83 G C -0.575 174.321 174.900 -0.007 0.000 1.036 83 G CA 0.388 45.484 45.100 -0.007 0.000 0.887 83 G HN 0.588 nan 8.290 nan 0.000 0.505 84 E N -0.957 119.239 120.200 -0.006 0.000 2.191 84 E HA 0.617 4.966 4.350 -0.002 0.000 0.274 84 E C 0.470 177.069 176.600 -0.002 0.000 0.948 84 E CA -0.535 55.863 56.400 -0.004 0.000 0.802 84 E CB 2.439 32.137 29.700 -0.004 0.000 1.137 84 E HN 0.629 nan 8.360 nan 0.000 0.397 85 V N -0.672 119.247 119.914 0.008 0.000 3.126 85 V HA 0.398 4.517 4.120 -0.002 0.000 0.314 85 V C 0.118 176.232 176.094 0.034 0.000 1.138 85 V CA -0.812 61.498 62.300 0.017 0.000 1.034 85 V CB 1.986 33.831 31.823 0.038 0.000 1.075 85 V HN 0.572 nan 8.190 nan 0.000 0.442 86 Q N 0.230 120.063 119.800 0.055 0.000 2.790 86 Q HA 0.301 4.640 4.340 -0.002 0.000 0.390 86 Q C -0.342 175.742 176.000 0.140 0.000 1.110 86 Q CA 0.146 56.002 55.803 0.089 0.000 0.493 86 Q CB -0.107 28.693 28.738 0.103 0.000 4.965 86 Q HN 0.918 nan 8.270 nan 0.000 0.328 87 D N 0.837 121.387 120.400 0.250 0.000 2.362 87 D HA 0.258 4.897 4.640 -0.002 0.000 0.242 87 D C -0.339 176.182 176.300 0.369 0.000 1.132 87 D CA 0.226 54.407 54.000 0.302 0.000 0.907 87 D CB 0.644 41.738 40.800 0.489 0.000 1.195 87 D HN 0.097 nan 8.370 nan 0.000 0.429 88 L N 1.746 123.100 121.223 0.218 0.000 2.410 88 L HA 0.326 4.665 4.340 -0.002 0.000 0.270 88 L C -1.504 175.450 176.870 0.141 0.000 0.983 88 L CA -0.815 54.188 54.840 0.273 0.000 0.822 88 L CB 1.336 43.505 42.059 0.184 0.000 1.285 88 L HN 0.356 nan 8.230 nan 0.000 0.409 89 Y N 3.886 124.337 120.300 0.253 0.000 2.335 89 Y HA 0.361 4.910 4.550 -0.002 0.000 0.338 89 Y C -0.066 175.873 175.900 0.066 0.000 0.977 89 Y CA -0.600 57.585 58.100 0.141 0.000 1.114 89 Y CB 1.939 40.408 38.460 0.015 0.000 1.182 89 Y HN 0.365 nan 8.280 nan 0.000 0.463 90 L N 5.320 126.600 121.223 0.094 0.000 2.260 90 L HA 0.620 4.959 4.340 -0.002 0.000 0.289 90 L C -1.099 175.740 176.870 -0.051 0.000 1.057 90 L CA -0.474 54.302 54.840 -0.106 0.000 0.811 90 L CB 0.500 42.374 42.059 -0.308 0.000 1.184 90 L HN 0.389 nan 8.230 nan 0.000 0.429 91 V N 5.115 124.979 119.914 -0.083 0.000 2.350 91 V HA 0.658 4.777 4.120 -0.002 0.000 0.285 91 V C 0.655 176.655 176.094 -0.156 0.000 1.014 91 V CA -0.455 61.794 62.300 -0.085 0.000 0.831 91 V CB 1.072 32.848 31.823 -0.078 0.000 1.000 91 V HN 0.895 nan 8.190 nan 0.000 0.433 92 G N 3.550 112.253 108.800 -0.161 0.000 2.332 92 G HA2 0.565 4.524 3.960 -0.002 0.000 0.310 92 G HA3 0.565 4.524 3.960 -0.002 0.000 0.310 92 G C 0.038 174.746 174.900 -0.321 0.000 1.123 92 G CA -0.646 44.327 45.100 -0.212 0.000 0.873 92 G HN 0.684 nan 8.290 nan 0.000 0.460 93 R N 1.744 121.979 120.500 -0.441 0.000 2.903 93 R HA 0.342 4.681 4.340 -0.002 0.000 0.363 93 R C 1.010 177.050 176.300 -0.434 0.000 1.161 93 R CA 0.190 55.789 56.100 -0.834 0.000 1.109 93 R CB 0.845 30.361 30.300 -1.307 0.000 1.399 93 R HN 0.953 nan 8.270 nan 0.000 0.587 94 G N 1.058 109.653 108.800 -0.343 0.000 2.130 94 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.216 94 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.216 94 G C -0.384 174.376 174.900 -0.233 0.000 0.999 94 G CA -0.135 44.826 45.100 -0.231 0.000 0.686 94 G HN 0.435 nan 8.290 nan 0.000 0.515 95 D N 0.832 121.136 120.400 -0.160 0.000 2.358 95 D HA 0.404 5.043 4.640 -0.002 0.000 0.258 95 D C -0.581 175.592 176.300 -0.212 0.000 1.223 95 D CA -1.654 52.249 54.000 -0.163 0.000 0.886 95 D CB 1.242 42.025 40.800 -0.029 0.000 1.120 95 D HN 0.189 nan 8.370 nan 0.000 0.482 96 P HA 0.091 nan 4.420 nan 0.000 0.262 96 P C 0.268 177.459 177.300 -0.182 0.000 1.304 96 P CA 0.239 63.189 63.100 -0.250 0.000 0.859 96 P CB 0.188 31.579 31.700 -0.515 0.000 1.310 97 T N -4.167 110.221 114.554 -0.277 0.000 3.231 97 T HA 0.182 4.531 4.350 -0.002 0.000 0.292 97 T C 0.295 174.886 174.700 -0.182 0.000 1.001 97 T CA -0.386 61.421 62.100 -0.489 0.000 0.920 97 T CB -0.305 67.859 68.868 -1.173 0.000 1.140 97 T HN -0.079 nan 8.240 nan 0.000 0.525 98 L N 4.206 125.403 121.223 -0.043 0.000 2.433 98 L HA 0.417 4.756 4.340 -0.002 0.000 0.275 98 L C 0.327 177.227 176.870 0.050 0.000 1.128 98 L CA 0.268 55.112 54.840 0.006 0.000 0.875 98 L CB 0.406 42.459 42.059 -0.010 0.000 1.171 98 L HN 0.607 nan 8.230 nan 0.000 0.463 99 S N 3.494 119.222 115.700 0.046 0.000 2.722 99 S HA 0.537 5.006 4.470 -0.002 0.000 0.292 99 S C 1.036 175.653 174.600 0.029 0.000 1.135 99 S CA -0.210 58.039 58.200 0.081 0.000 1.003 99 S CB 1.749 65.021 63.200 0.120 0.000 1.067 99 S HN 0.683 nan 8.310 nan 0.000 0.546 100 A N 0.315 123.164 122.820 0.048 0.000 1.972 100 A HA -0.095 4.223 4.320 -0.002 0.000 0.219 100 A C 2.056 179.653 177.584 0.021 0.000 1.169 100 A CA 1.811 53.873 52.037 0.042 0.000 0.635 100 A CB -1.186 17.846 19.000 0.054 0.000 0.810 100 A HN 1.025 nan 8.150 nan 0.000 0.446 101 E N 0.113 120.318 120.200 0.009 0.000 2.051 101 E HA -0.237 4.112 4.350 -0.002 0.000 0.192 101 E C 1.196 177.767 176.600 -0.048 0.000 0.991 101 E CA 1.488 57.883 56.400 -0.008 0.000 0.799 101 E CB -0.174 29.527 29.700 0.002 0.000 0.748 101 E HN 0.526 nan 8.360 nan 0.000 0.449 102 D N 0.560 120.893 120.400 -0.112 0.000 2.178 102 D HA -0.153 4.486 4.640 -0.002 0.000 0.201 102 D C 2.089 178.293 176.300 -0.160 0.000 0.980 102 D CA 0.808 54.638 54.000 -0.282 0.000 0.842 102 D CB -0.118 40.365 40.800 -0.528 0.000 0.948 102 D HN 0.319 nan 8.370 nan 0.000 0.472 103 L N 0.405 121.603 121.223 -0.041 0.000 2.093 103 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 103 L C 2.184 179.158 176.870 0.174 0.000 1.085 103 L CA 1.092 55.995 54.840 0.104 0.000 0.755 103 L CB -0.339 41.821 42.059 0.168 0.000 0.904 103 L HN -0.044 nan 8.230 nan 0.000 0.435 104 D N 0.150 120.591 120.400 0.069 0.000 2.117 104 D HA -0.185 4.454 4.640 -0.002 0.000 0.197 104 D C 2.162 178.485 176.300 0.038 0.000 0.987 104 D CA 1.370 55.393 54.000 0.039 0.000 0.829 104 D CB 0.182 40.988 40.800 0.010 0.000 0.961 104 D HN 0.246 nan 8.370 nan 0.000 0.460 105 A N -0.072 122.758 122.820 0.016 0.000 1.930 105 A HA -0.113 4.206 4.320 -0.002 0.000 0.217 105 A C 2.303 179.919 177.584 0.052 0.000 1.175 105 A CA 1.312 53.359 52.037 0.017 0.000 0.627 105 A CB -0.571 18.422 19.000 -0.011 0.000 0.815 105 A HN 0.307 nan 8.150 nan 0.000 0.443 106 M N -0.626 119.023 119.600 0.081 0.000 2.175 106 M HA -0.116 4.363 4.480 -0.002 0.000 0.264 106 M C 2.522 178.967 176.300 0.241 0.000 1.063 106 M CA 1.263 56.654 55.300 0.151 0.000 1.119 106 M CB -0.430 32.243 32.600 0.121 0.000 1.377 106 M HN 0.489 nan 8.290 nan 0.000 0.415 107 A N 0.536 123.505 122.820 0.247 0.000 1.933 107 A HA -0.060 4.259 4.320 -0.002 0.000 0.218 107 A C 2.354 179.945 177.584 0.011 0.000 1.175 107 A CA 1.916 53.981 52.037 0.047 0.000 0.628 107 A CB -0.814 18.124 19.000 -0.103 0.000 0.814 107 A HN 0.498 nan 8.150 nan 0.000 0.444 108 A N -0.554 122.282 122.820 0.026 0.000 1.969 108 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 108 A C 1.925 179.525 177.584 0.026 0.000 1.169 108 A CA 1.509 53.554 52.037 0.013 0.000 0.635 108 A CB -0.396 18.612 19.000 0.012 0.000 0.810 108 A HN 0.633 nan 8.150 nan 0.000 0.445 109 E N -0.373 119.857 120.200 0.050 0.000 2.072 109 E HA -0.098 4.251 4.350 -0.002 0.000 0.190 109 E C 1.999 178.632 176.600 0.054 0.000 0.982 109 E CA 1.106 57.537 56.400 0.052 0.000 0.803 109 E CB -0.189 29.550 29.700 0.065 0.000 0.755 109 E HN 0.382 nan 8.360 nan 0.000 0.453 110 V N 1.520 121.480 119.914 0.077 0.000 2.282 110 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 110 V C 2.362 178.472 176.094 0.028 0.000 1.057 110 V CA 2.066 64.407 62.300 0.070 0.000 1.032 110 V CB -0.767 31.111 31.823 0.091 0.000 0.645 110 V HN 0.335 nan 8.190 nan 0.000 0.447 111 A N -0.279 122.545 122.820 0.007 0.000 1.933 111 A HA -0.057 4.262 4.320 -0.002 0.000 0.218 111 A C 2.328 179.913 177.584 0.001 0.000 1.175 111 A CA 1.950 53.983 52.037 -0.007 0.000 0.628 111 A CB -0.663 18.325 19.000 -0.020 0.000 0.814 111 A HN 0.606 nan 8.150 nan 0.000 0.444 112 A N 0.171 122.996 122.820 0.009 0.000 2.119 112 A HA 0.050 4.369 4.320 -0.002 0.000 0.217 112 A C 2.282 179.872 177.584 0.010 0.000 1.153 112 A CA 1.651 53.693 52.037 0.009 0.000 0.692 112 A CB -0.728 18.279 19.000 0.012 0.000 0.799 112 A HN 0.946 nan 8.150 nan 0.000 0.458 113 S N -1.457 114.252 115.700 0.016 0.000 2.515 113 S HA 0.314 4.783 4.470 -0.002 0.000 0.231 113 S C 1.339 175.944 174.600 0.008 0.000 0.987 113 S CA 1.047 59.256 58.200 0.015 0.000 0.936 113 S CB -0.474 62.740 63.200 0.024 0.000 0.766 113 S HN 1.904 nan 8.310 nan 0.000 0.528 114 G N 0.093 108.896 108.800 0.005 0.000 2.164 114 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.212 114 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.212 114 G C -0.195 174.704 174.900 -0.001 0.000 1.031 114 G CA -0.169 44.931 45.100 -0.000 0.000 0.730 114 G HN 0.654 nan 8.290 nan 0.000 0.501 115 V N -0.062 119.852 119.914 0.001 0.000 2.465 115 V HA 0.524 4.643 4.120 -0.002 0.000 0.279 115 V C 1.350 177.437 176.094 -0.012 0.000 1.045 115 V CA -0.002 62.297 62.300 -0.002 0.000 0.938 115 V CB 1.427 33.254 31.823 0.007 0.000 0.986 115 V HN 0.433 nan 8.190 nan 0.000 0.467 116 R N 1.706 122.197 120.500 -0.015 0.000 2.257 116 R HA 0.236 4.575 4.340 -0.002 0.000 0.195 116 R C -0.092 176.192 176.300 -0.026 0.000 0.921 116 R CA 0.286 56.373 56.100 -0.021 0.000 1.069 116 R CB 0.781 31.071 30.300 -0.017 0.000 1.115 116 R HN 0.695 nan 8.270 nan 0.000 0.571 117 T N 0.775 115.317 114.554 -0.020 0.000 2.937 117 T HA 0.284 4.633 4.350 -0.002 0.000 0.297 117 T C -0.881 173.811 174.700 -0.013 0.000 0.991 117 T CA -0.522 61.566 62.100 -0.020 0.000 0.990 117 T CB 2.717 71.575 68.868 -0.015 0.000 0.991 117 T HN -0.245 nan 8.240 nan 0.000 0.440 118 V N 5.279 125.182 119.914 -0.019 0.000 2.372 118 V HA 0.209 4.328 4.120 -0.002 0.000 0.261 118 V C 1.454 177.543 176.094 -0.007 0.000 1.055 118 V CA -0.336 61.960 62.300 -0.006 0.000 0.930 118 V CB 0.506 32.318 31.823 -0.019 0.000 1.031 118 V HN 0.748 nan 8.190 nan 0.000 0.479 119 R N 3.183 123.689 120.500 0.009 0.000 2.161 119 R HA 0.118 4.457 4.340 -0.002 0.000 0.213 119 R C 1.331 177.638 176.300 0.012 0.000 1.055 119 R CA 0.845 56.950 56.100 0.008 0.000 0.996 119 R CB 0.198 30.507 30.300 0.015 0.000 0.901 119 R HN 0.734 nan 8.270 nan 0.000 0.456 120 G N 0.551 109.367 108.800 0.026 0.000 3.022 120 G HA2 0.139 4.098 3.960 -0.002 0.000 0.157 120 G HA3 0.139 4.098 3.960 -0.002 0.000 0.157 120 G C -0.625 174.256 174.900 -0.031 0.000 1.468 120 G CA -0.347 44.771 45.100 0.030 0.000 1.058 120 G HN -0.018 nan 8.290 nan 0.000 0.581 121 D N -0.362 119.990 120.400 -0.080 0.000 2.228 121 D HA 0.419 5.058 4.640 -0.002 0.000 0.247 121 D C -0.786 175.278 176.300 -0.393 0.000 0.995 121 D CA -0.358 53.470 54.000 -0.287 0.000 0.903 121 D CB 2.598 43.102 40.800 -0.492 0.000 1.205 121 D HN 0.137 nan 8.370 nan 0.000 0.459 122 L N 2.153 123.136 121.223 -0.401 0.000 2.276 122 L HA 0.313 4.652 4.340 -0.002 0.000 0.286 122 L C -1.478 175.091 176.870 -0.501 0.000 1.061 122 L CA -0.179 54.474 54.840 -0.311 0.000 0.807 122 L CB 0.163 42.153 42.059 -0.114 0.000 1.177 122 L HN 0.248 nan 8.230 nan 0.000 0.429 123 Y N 3.507 123.617 120.300 -0.316 0.000 2.429 123 Y HA 0.725 5.274 4.550 -0.002 0.000 0.342 123 Y C 0.181 175.980 175.900 -0.168 0.000 1.004 123 Y CA -0.877 57.015 58.100 -0.347 0.000 1.075 123 Y CB 2.042 40.017 38.460 -0.809 0.000 1.214 123 Y HN 0.696 nan 8.280 nan 0.000 0.455 124 A N 2.434 125.322 122.820 0.113 0.000 2.256 124 A HA 0.340 4.659 4.320 -0.002 0.000 0.317 124 A C -1.241 176.404 177.584 0.102 0.000 1.318 124 A CA -0.574 51.507 52.037 0.074 0.000 0.894 124 A CB 0.210 19.233 19.000 0.039 0.000 1.165 124 A HN 0.647 nan 8.150 nan 0.000 0.525 125 D N 2.852 123.313 120.400 0.103 0.000 2.373 125 D HA 0.254 4.893 4.640 -0.002 0.000 0.227 125 D C -0.544 175.764 176.300 0.013 0.000 1.091 125 D CA -0.224 53.825 54.000 0.083 0.000 0.840 125 D CB 1.179 42.045 40.800 0.110 0.000 1.060 125 D HN 0.530 nan 8.370 nan 0.000 0.502 126 D N 1.475 121.881 120.400 0.011 0.000 2.593 126 D HA -0.052 4.587 4.640 -0.002 0.000 0.241 126 D C 1.144 177.453 176.300 0.015 0.000 1.257 126 D CA -0.190 53.801 54.000 -0.015 0.000 0.828 126 D CB -0.251 40.541 40.800 -0.013 0.000 1.049 126 D HN 0.299 nan 8.370 nan 0.000 0.490 127 T N -4.164 110.411 114.554 0.036 0.000 3.113 127 T HA -0.135 4.214 4.350 -0.002 0.000 0.263 127 T C 1.415 176.176 174.700 0.102 0.000 1.143 127 T CA -0.062 62.068 62.100 0.049 0.000 1.090 127 T CB -0.840 68.039 68.868 0.018 0.000 0.922 127 T HN 0.398 nan 8.240 nan 0.000 0.521 128 W N 1.075 122.303 121.300 -0.120 0.000 2.350 128 W HA 0.063 4.722 4.660 -0.001 0.000 0.289 128 W C -0.647 175.900 176.519 0.045 0.000 1.215 128 W CA 0.275 57.547 57.345 -0.121 0.000 1.236 128 W CB 0.041 29.337 29.460 -0.273 0.000 1.130 128 W HN 0.148 nan 8.180 nan 0.000 0.541 129 F N 1.397 121.346 119.950 -0.001 0.000 2.497 129 F HA 0.187 4.714 4.527 -0.001 0.000 0.331 129 F C 0.688 176.410 175.800 -0.129 0.000 1.060 129 F CA -2.143 55.766 58.000 -0.153 0.000 0.989 129 F CB -0.398 38.508 39.000 -0.158 0.000 1.245 129 F HN -0.232 nan 8.300 nan 0.000 0.486 130 D N -1.098 119.323 120.400 0.036 0.000 2.384 130 D HA 0.089 4.728 4.640 -0.002 0.000 0.244 130 D C 0.482 176.783 176.300 0.001 0.000 1.251 130 D CA -0.293 53.697 54.000 -0.017 0.000 0.961 130 D CB 0.201 40.961 40.800 -0.066 0.000 1.116 130 D HN 0.348 nan 8.370 nan 0.000 0.484 131 S N -2.139 113.563 115.700 0.004 0.000 2.679 131 S HA 0.030 4.499 4.470 -0.002 0.000 0.233 131 S C 0.468 175.084 174.600 0.027 0.000 0.951 131 S CA -0.622 57.591 58.200 0.021 0.000 0.973 131 S CB -0.586 62.630 63.200 0.026 0.000 0.778 131 S HN 0.580 nan 8.310 nan 0.000 0.477 132 E N 1.883 122.092 120.200 0.015 0.000 2.070 132 E HA 0.160 4.509 4.350 -0.002 0.000 0.282 132 E C 0.587 177.276 176.600 0.147 0.000 1.104 132 E CA -0.468 55.988 56.400 0.094 0.000 0.876 132 E CB 0.315 30.114 29.700 0.165 0.000 1.055 132 E HN 0.156 nan 8.360 nan 0.000 0.401 133 R N 2.825 123.415 120.500 0.150 0.000 2.200 133 R HA 0.185 4.524 4.340 -0.002 0.000 0.208 133 R C 0.264 176.725 176.300 0.269 0.000 1.033 133 R CA 0.559 56.761 56.100 0.170 0.000 1.000 133 R CB -0.117 30.260 30.300 0.128 0.000 0.906 133 R HN 0.454 nan 8.270 nan 0.000 0.462 134 L N -0.548 120.778 121.223 0.173 0.000 2.466 134 L HA 0.377 4.715 4.340 -0.002 0.000 0.258 134 L C -0.454 175.986 176.870 -0.716 0.000 0.973 134 L CA -1.065 53.672 54.840 -0.172 0.000 0.826 134 L CB 2.651 44.730 42.059 0.034 0.000 1.372 134 L HN -0.373 nan 8.230 nan 0.000 0.409 135 V N 1.120 119.950 119.914 -1.806 0.000 2.811 135 V HA -0.037 4.082 4.120 -0.002 0.000 0.302 135 V C 0.710 176.273 176.094 -0.884 0.000 1.063 135 V CA 0.194 61.463 62.300 -1.719 0.000 1.088 135 V CB 1.084 31.569 31.823 -2.230 0.000 0.982 135 V HN 1.021 nan 8.190 nan 0.000 0.485 136 D N 3.427 123.469 120.400 -0.596 0.000 2.154 136 D HA -0.283 4.356 4.640 -0.002 0.000 0.190 136 D C 1.093 177.213 176.300 -0.301 0.000 1.003 136 D CA 2.018 55.809 54.000 -0.349 0.000 0.849 136 D CB -0.383 40.255 40.800 -0.270 0.000 0.942 136 D HN 0.795 nan 8.370 nan 0.000 0.446 137 D N -2.055 118.160 120.400 -0.308 0.000 2.342 137 D HA -0.012 4.627 4.640 -0.002 0.000 0.221 137 D C -0.277 175.882 176.300 -0.234 0.000 1.101 137 D CA -0.725 53.100 54.000 -0.292 0.000 0.837 137 D CB -0.697 39.962 40.800 -0.235 0.000 0.938 137 D HN 0.213 nan 8.370 nan 0.000 0.508 138 W N 0.972 122.084 121.300 -0.313 0.000 2.170 138 W HA 0.296 4.954 4.660 -0.003 0.000 0.336 138 W C 0.208 176.594 176.519 -0.221 0.000 1.283 138 W CA -1.320 55.913 57.345 -0.187 0.000 1.224 138 W CB -0.018 29.400 29.460 -0.071 0.000 1.132 138 W HN -0.066 nan 8.180 nan 0.000 0.571 139 W N 4.883 126.317 121.300 0.223 0.000 2.316 139 W HA 0.198 4.856 4.660 -0.003 0.000 0.311 139 W C -0.870 175.723 176.519 0.123 0.000 1.217 139 W CA -1.682 55.746 57.345 0.138 0.000 1.199 139 W CB 0.282 29.805 29.460 0.105 0.000 1.202 139 W HN 0.182 nan 8.180 nan 0.000 0.528 140 P HA -0.262 nan 4.420 nan 0.000 0.218 140 P C 1.124 178.531 177.300 0.177 0.000 1.148 140 P CA 1.963 65.178 63.100 0.191 0.000 0.822 140 P CB 0.200 31.987 31.700 0.144 0.000 0.784 141 E N 0.092 120.430 120.200 0.230 0.000 2.338 141 E HA -0.156 4.192 4.350 -0.002 0.000 0.197 141 E C 0.825 177.563 176.600 0.231 0.000 1.007 141 E CA 0.930 57.441 56.400 0.185 0.000 0.849 141 E CB -0.922 28.871 29.700 0.156 0.000 0.774 141 E HN 0.230 nan 8.360 nan 0.000 0.506 142 D N 1.371 121.930 120.400 0.264 0.000 2.355 142 D HA -0.010 4.629 4.640 -0.002 0.000 0.218 142 D C 1.440 177.764 176.300 0.039 0.000 1.004 142 D CA 0.263 54.443 54.000 0.300 0.000 0.880 142 D CB 0.060 41.046 40.800 0.311 0.000 0.911 142 D HN 0.372 nan 8.370 nan 0.000 0.528 143 E N 0.454 120.644 120.200 -0.017 0.000 2.153 143 E HA -0.134 4.215 4.350 -0.002 0.000 0.194 143 E C -0.829 175.598 176.600 -0.289 0.000 0.988 143 E CA 0.771 57.108 56.400 -0.105 0.000 0.811 143 E CB -0.542 29.153 29.700 -0.009 0.000 0.746 143 E HN 0.286 nan 8.360 nan 0.000 0.466 144 P HA -0.126 nan 4.420 nan 0.000 0.228 144 P C -0.554 176.281 177.300 -0.776 0.000 1.151 144 P CA 1.145 63.812 63.100 -0.721 0.000 0.770 144 P CB -0.070 31.070 31.700 -0.934 0.000 0.786 145 Y N -1.821 118.356 120.300 -0.205 0.000 2.419 145 Y HA 0.527 5.076 4.550 -0.002 0.000 0.328 145 Y C 1.918 177.607 175.900 -0.352 0.000 1.162 145 Y CA -1.099 56.850 58.100 -0.252 0.000 1.174 145 Y CB 0.592 38.931 38.460 -0.201 0.000 1.228 145 Y HN -0.265 nan 8.280 nan 0.000 0.473 146 A N 1.814 124.637 122.820 0.005 0.000 1.908 146 A HA -0.267 4.051 4.320 -0.002 0.000 0.218 146 A C 1.772 179.342 177.584 -0.024 0.000 1.181 146 A CA 2.135 54.175 52.037 0.005 0.000 0.627 146 A CB -1.387 17.658 19.000 0.075 0.000 0.818 146 A HN 0.963 nan 8.150 nan 0.000 0.445 147 Y N -1.651 118.672 120.300 0.038 0.000 2.569 147 Y HA 0.114 4.663 4.550 -0.002 0.000 0.293 147 Y C 1.921 177.767 175.900 -0.091 0.000 1.144 147 Y CA 1.034 59.123 58.100 -0.019 0.000 1.321 147 Y CB -0.607 37.826 38.460 -0.044 0.000 0.982 147 Y HN 0.192 nan 8.280 nan 0.000 0.558 148 S N 0.278 115.638 115.700 -0.566 0.000 2.602 148 S HA 0.565 5.034 4.470 -0.002 0.000 0.240 148 S C 0.831 175.385 174.600 -0.077 0.000 0.992 148 S CA -0.196 57.744 58.200 -0.433 0.000 0.971 148 S CB -0.957 61.896 63.200 -0.579 0.000 0.855 148 S HN 0.618 nan 8.310 nan 0.000 0.481 149 A N 1.432 124.246 122.820 -0.011 0.000 2.555 149 A HA 0.212 4.531 4.320 -0.002 0.000 0.233 149 A C 0.378 178.097 177.584 0.224 0.000 1.060 149 A CA 0.242 52.332 52.037 0.090 0.000 0.759 149 A CB 0.024 19.079 19.000 0.092 0.000 0.995 149 A HN 0.703 nan 8.150 nan 0.000 0.506 150 Q N 0.131 120.048 119.800 0.195 0.000 2.392 150 Q HA 0.240 4.578 4.340 -0.002 0.000 0.262 150 Q C -0.368 175.762 176.000 0.216 0.000 1.003 150 Q CA 0.041 55.978 55.803 0.223 0.000 0.888 150 Q CB 0.542 29.373 28.738 0.155 0.000 1.260 150 Q HN 0.559 nan 8.270 nan 0.000 0.435 151 I N 1.401 122.102 120.570 0.219 0.000 2.353 151 I HA 0.317 4.486 4.170 -0.002 0.000 0.293 151 I C 0.095 176.280 176.117 0.112 0.000 0.992 151 I CA 0.066 61.459 61.300 0.156 0.000 1.268 151 I CB 1.003 39.033 38.000 0.050 0.000 1.387 151 I HN 0.497 nan 8.210 nan 0.000 0.478 152 S N 3.616 119.409 115.700 0.155 0.000 2.556 152 S HA 0.672 5.141 4.470 -0.002 0.000 0.271 152 S C 0.550 175.228 174.600 0.130 0.000 1.135 152 S CA 0.016 58.299 58.200 0.139 0.000 0.858 152 S CB 1.880 65.124 63.200 0.072 0.000 1.114 152 S HN 0.689 nan 8.310 nan 0.000 0.468 153 A N 2.595 125.364 122.820 -0.086 0.000 2.067 153 A HA 0.298 4.617 4.320 -0.002 0.000 0.219 153 A C 0.721 178.152 177.584 -0.254 0.000 1.158 153 A CA 0.663 52.379 52.037 -0.536 0.000 0.661 153 A CB -0.300 18.280 19.000 -0.701 0.000 0.801 153 A HN 0.730 nan 8.150 nan 0.000 0.452 154 L N 0.491 121.642 121.223 -0.120 0.000 2.345 154 L HA 0.476 4.815 4.340 -0.002 0.000 0.274 154 L C -0.919 175.927 176.870 -0.039 0.000 0.999 154 L CA -0.063 54.724 54.840 -0.089 0.000 0.849 154 L CB 1.620 43.630 42.059 -0.081 0.000 1.220 154 L HN 0.172 nan 8.230 nan 0.000 0.422 155 T N 3.004 117.542 114.554 -0.026 0.000 2.956 155 T HA 0.473 4.822 4.350 -0.002 0.000 0.312 155 T C -1.121 173.594 174.700 0.024 0.000 1.151 155 T CA -0.298 61.810 62.100 0.013 0.000 1.024 155 T CB 1.793 70.692 68.868 0.052 0.000 1.140 155 T HN 0.123 nan 8.240 nan 0.000 0.473 156 V N 3.984 123.923 119.914 0.041 0.000 2.406 156 V HA 0.688 4.807 4.120 -0.002 0.000 0.272 156 V C 0.812 176.983 176.094 0.130 0.000 1.043 156 V CA -0.695 61.647 62.300 0.069 0.000 0.915 156 V CB 0.891 32.750 31.823 0.060 0.000 0.988 156 V HN 1.090 nan 8.190 nan 0.000 0.466 157 A N 3.863 126.786 122.820 0.173 0.000 2.309 157 A HA 0.490 4.809 4.320 -0.002 0.000 0.290 157 A C -0.262 177.491 177.584 0.281 0.000 1.206 157 A CA -0.253 51.950 52.037 0.276 0.000 0.850 157 A CB -0.236 18.995 19.000 0.385 0.000 1.118 157 A HN 1.015 nan 8.150 nan 0.000 0.523 158 H N 2.084 121.246 119.070 0.153 0.000 2.502 158 H HA 0.520 5.074 4.556 -0.002 0.000 0.327 158 H C 0.809 176.162 175.328 0.042 0.000 1.099 158 H CA 1.157 57.259 56.048 0.089 0.000 1.323 158 H CB 0.844 30.639 29.762 0.056 0.000 1.450 158 H HN 1.509 nan 8.280 nan 0.000 0.502 159 G N 3.503 111.969 108.800 -0.556 0.000 2.860 159 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.553 159 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.553 159 G C 0.746 175.410 174.900 -0.393 0.000 1.439 159 G CA 0.123 44.952 45.100 -0.453 0.000 0.879 159 G HN 0.878 nan 8.290 nan 0.000 0.545 160 E N -0.394 119.585 120.200 -0.368 0.000 2.409 160 E HA -0.056 4.293 4.350 -0.002 0.000 0.198 160 E C 2.098 178.361 176.600 -0.562 0.000 1.024 160 E CA 1.133 57.239 56.400 -0.492 0.000 0.861 160 E CB 0.010 29.562 29.700 -0.247 0.000 0.788 160 E HN 0.567 nan 8.360 nan 0.000 0.521 161 R N -0.077 120.198 120.500 -0.375 0.000 2.280 161 R HA 0.129 4.468 4.340 -0.002 0.000 0.195 161 R C -0.257 176.008 176.300 -0.058 0.000 0.935 161 R CA 0.161 56.093 56.100 -0.280 0.000 1.033 161 R CB -0.177 29.823 30.300 -0.500 0.000 0.964 161 R HN 0.140 nan 8.270 nan 0.000 0.489 162 F N 1.539 121.583 119.950 0.157 0.000 2.985 162 F HA -0.213 4.313 4.527 -0.002 0.000 0.303 162 F C -0.740 175.162 175.800 0.168 0.000 0.976 162 F CA 0.054 58.184 58.000 0.217 0.000 1.013 162 F CB -1.485 37.737 39.000 0.370 0.000 1.060 162 F HN 0.052 nan 8.300 nan 0.000 0.780 163 D N 1.594 122.128 120.400 0.223 0.000 2.336 163 D HA 0.188 4.827 4.640 -0.002 0.000 0.249 163 D C 0.833 177.245 176.300 0.186 0.000 1.213 163 D CA 0.289 54.375 54.000 0.144 0.000 0.870 163 D CB 1.225 42.085 40.800 0.100 0.000 1.076 163 D HN 0.328 nan 8.370 nan 0.000 0.483 164 T N -1.498 113.159 114.554 0.172 0.000 2.882 164 T HA 0.428 4.777 4.350 -0.002 0.000 0.287 164 T C 1.278 176.052 174.700 0.122 0.000 1.014 164 T CA -0.086 62.116 62.100 0.170 0.000 1.049 164 T CB 1.483 70.466 68.868 0.191 0.000 1.001 164 T HN 0.546 nan 8.240 nan 0.000 0.525 165 G N 0.348 109.211 108.800 0.104 0.000 2.203 165 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.263 165 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.263 165 G C 0.112 175.047 174.900 0.060 0.000 1.012 165 G CA 0.373 45.521 45.100 0.080 0.000 0.749 165 G HN 1.906 nan 8.290 nan 0.000 0.512 166 V N -3.949 115.997 119.914 0.054 0.000 3.074 166 V HA 0.976 5.095 4.120 -0.002 0.000 0.314 166 V C -0.021 176.068 176.094 -0.008 0.000 1.117 166 V CA -0.156 62.152 62.300 0.013 0.000 1.014 166 V CB 2.119 33.937 31.823 -0.008 0.000 1.057 166 V HN 0.681 nan 8.190 nan 0.000 0.438 167 T N 0.926 115.454 114.554 -0.043 0.000 2.908 167 T HA 0.446 4.795 4.350 -0.002 0.000 0.290 167 T C -0.779 173.827 174.700 -0.157 0.000 1.034 167 T CA -0.378 61.683 62.100 -0.066 0.000 1.010 167 T CB 1.609 70.477 68.868 0.001 0.000 1.068 167 T HN 1.083 nan 8.240 nan 0.000 0.481 168 E N 2.920 122.981 120.200 -0.232 0.000 2.130 168 E HA 0.476 4.825 4.350 -0.002 0.000 0.284 168 E C -1.043 175.513 176.600 -0.074 0.000 1.018 168 E CA -0.579 55.692 56.400 -0.216 0.000 0.817 168 E CB 0.710 30.227 29.700 -0.306 0.000 1.078 168 E HN 0.349 nan 8.360 nan 0.000 0.396 169 V N 4.150 124.035 119.914 -0.049 0.000 2.394 169 V HA 0.255 4.374 4.120 -0.002 0.000 0.282 169 V C -0.229 175.862 176.094 -0.005 0.000 1.031 169 V CA -0.484 61.806 62.300 -0.017 0.000 0.881 169 V CB 1.567 33.384 31.823 -0.011 0.000 0.982 169 V HN 0.642 nan 8.190 nan 0.000 0.451 170 S N 3.757 119.460 115.700 0.004 0.000 2.501 170 S HA 0.773 5.242 4.470 -0.002 0.000 0.301 170 S C -0.550 174.056 174.600 0.010 0.000 1.096 170 S CA -0.621 57.584 58.200 0.010 0.000 1.063 170 S CB 1.959 65.168 63.200 0.015 0.000 1.042 170 S HN 0.456 nan 8.310 nan 0.000 0.494 171 V N 2.548 122.468 119.914 0.011 0.000 2.577 171 V HA 0.554 4.673 4.120 -0.002 0.000 0.303 171 V C -0.451 175.649 176.094 0.010 0.000 1.042 171 V CA -0.585 61.721 62.300 0.010 0.000 0.872 171 V CB 1.932 33.761 31.823 0.010 0.000 0.998 171 V HN 0.915 nan 8.190 nan 0.000 0.423 172 T N 7.084 121.643 114.554 0.009 0.000 2.812 172 T HA 0.521 4.870 4.350 -0.002 0.000 0.282 172 T C -2.729 171.976 174.700 0.007 0.000 0.990 172 T CA -1.179 60.926 62.100 0.009 0.000 0.960 172 T CB 2.336 71.210 68.868 0.009 0.000 0.948 172 T HN 0.482 nan 8.240 nan 0.000 0.438 173 P HA 0.533 nan 4.420 nan 0.000 0.274 173 P C -0.574 176.729 177.300 0.005 0.000 1.246 173 P CA -0.371 62.733 63.100 0.005 0.000 0.795 173 P CB 1.025 32.728 31.700 0.005 0.000 1.006 174 A N 1.236 124.058 122.820 0.004 0.000 3.934 174 A HA 0.775 5.094 4.320 -0.002 0.000 0.163 174 A C 0.012 177.598 177.584 0.003 0.000 1.103 174 A CA -0.126 51.914 52.037 0.004 0.000 1.170 174 A CB -0.300 18.702 19.000 0.004 0.000 1.564 174 A HN 0.577 nan 8.150 nan 0.000 0.705 175 A N -0.317 122.504 122.820 0.003 0.000 2.286 175 A HA 0.516 4.835 4.320 -0.002 0.000 0.286 175 A C 0.174 177.759 177.584 0.002 0.000 1.097 175 A CA -0.218 51.820 52.037 0.003 0.000 0.821 175 A CB -0.057 18.944 19.000 0.002 0.000 1.076 175 A HN 0.675 nan 8.150 nan 0.000 0.490 176 E N 0.041 120.243 120.200 0.002 0.000 2.493 176 E HA 0.295 4.644 4.350 -0.002 0.000 0.255 176 E C 1.138 177.739 176.600 0.002 0.000 0.999 176 E CA 1.110 57.511 56.400 0.002 0.000 0.934 176 E CB -0.135 29.566 29.700 0.002 0.000 0.940 176 E HN 1.387 nan 8.360 nan 0.000 0.473 177 G N 3.648 112.449 108.800 0.002 0.000 2.194 177 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.236 177 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.236 177 G C 0.179 175.080 174.900 0.002 0.000 0.987 177 G CA 0.228 45.329 45.100 0.002 0.000 0.635 177 G HN 0.562 nan 8.290 nan 0.000 0.520 178 E N 1.724 121.925 120.200 0.002 0.000 2.248 178 E HA 0.597 4.946 4.350 -0.002 0.000 0.272 178 E C -2.048 174.553 176.600 0.002 0.000 1.008 178 E CA -2.056 54.345 56.400 0.002 0.000 0.856 178 E CB 1.579 31.280 29.700 0.002 0.000 1.120 178 E HN 0.160 nan 8.360 nan 0.000 0.397 179 P HA 0.072 nan 4.420 nan 0.000 0.269 179 P C -1.021 176.281 177.300 0.003 0.000 1.209 179 P CA -0.202 62.899 63.100 0.002 0.000 0.776 179 P CB 0.692 32.393 31.700 0.002 0.000 0.876 180 A N 2.067 124.889 122.820 0.004 0.000 2.483 180 A HA 0.081 4.400 4.320 -0.002 0.000 0.238 180 A C 0.267 177.854 177.584 0.005 0.000 1.070 180 A CA 0.020 52.059 52.037 0.005 0.000 0.770 180 A CB -0.548 18.455 19.000 0.005 0.000 1.008 180 A HN 0.569 nan 8.150 nan 0.000 0.497 181 D N 0.796 121.199 120.400 0.006 0.000 2.312 181 D HA 0.433 5.072 4.640 -0.002 0.000 0.252 181 D C -0.611 175.694 176.300 0.007 0.000 1.150 181 D CA 0.173 54.176 54.000 0.006 0.000 0.870 181 D CB 0.794 41.598 40.800 0.007 0.000 1.153 181 D HN 0.202 nan 8.370 nan 0.000 0.457 182 V N 3.662 123.580 119.914 0.006 0.000 2.555 182 V HA 0.441 4.560 4.120 -0.002 0.000 0.302 182 V C -0.554 175.545 176.094 0.008 0.000 1.038 182 V CA -0.848 61.456 62.300 0.006 0.000 0.887 182 V CB 1.981 33.806 31.823 0.003 0.000 0.991 182 V HN 0.562 nan 8.190 nan 0.000 0.434 183 D N 2.898 123.304 120.400 0.010 0.000 2.498 183 D HA 0.510 5.149 4.640 -0.002 0.000 0.247 183 D C 0.566 176.873 176.300 0.012 0.000 1.070 183 D CA -0.593 53.416 54.000 0.014 0.000 0.842 183 D CB 2.422 43.233 40.800 0.019 0.000 1.361 183 D HN 0.302 nan 8.370 nan 0.000 0.484 184 L N 1.622 122.855 121.223 0.016 0.000 2.529 184 L HA 0.249 4.588 4.340 -0.002 0.000 0.223 184 L C 1.406 178.289 176.870 0.022 0.000 1.113 184 L CA 0.424 55.272 54.840 0.014 0.000 0.861 184 L CB -0.597 41.470 42.059 0.014 0.000 1.012 184 L HN 0.788 nan 8.230 nan 0.000 0.461 185 G N 0.404 109.224 108.800 0.033 0.000 2.509 185 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.259 185 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.259 185 G C 0.861 175.804 174.900 0.073 0.000 1.169 185 G CA 0.287 45.414 45.100 0.046 0.000 0.953 185 G HN 0.243 nan 8.290 nan 0.000 0.563 186 A N -0.426 122.444 122.820 0.083 0.000 1.978 186 A HA 0.311 4.630 4.320 -0.002 0.000 0.220 186 A C 2.810 180.473 177.584 0.131 0.000 1.170 186 A CA 3.373 55.478 52.037 0.112 0.000 0.636 186 A CB -0.847 18.218 19.000 0.108 0.000 0.810 186 A HN 2.347 nan 8.150 nan 0.000 0.448 187 A N -0.466 122.415 122.820 0.100 0.000 2.235 187 A HA 0.137 4.456 4.320 -0.002 0.000 0.208 187 A C 0.567 178.190 177.584 0.064 0.000 1.172 187 A CA -0.114 51.995 52.037 0.120 0.000 0.786 187 A CB -0.200 18.881 19.000 0.136 0.000 0.804 187 A HN 0.420 nan 8.150 nan 0.000 0.479 188 E N -0.126 120.116 120.200 0.070 0.000 2.493 188 E HA 0.237 4.586 4.350 -0.002 0.000 0.255 188 E C 1.190 177.824 176.600 0.056 0.000 0.999 188 E CA 1.128 57.563 56.400 0.057 0.000 0.934 188 E CB 0.244 29.991 29.700 0.078 0.000 0.940 188 E HN 0.665 nan 8.360 nan 0.000 0.473 189 G N 3.241 112.032 108.800 -0.016 0.000 2.176 189 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.253 189 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.253 189 G C 0.493 175.210 174.900 -0.305 0.000 0.979 189 G CA 0.565 45.632 45.100 -0.054 0.000 0.641 189 G HN 0.599 nan 8.290 nan 0.000 0.530 190 Y N 0.607 120.629 120.300 -0.462 0.000 2.697 190 Y HA 0.716 5.264 4.550 -0.002 0.000 0.268 190 Y C 1.684 177.472 175.900 -0.187 0.000 1.092 190 Y CA 1.421 59.267 58.100 -0.423 0.000 1.304 190 Y CB -0.068 38.118 38.460 -0.455 0.000 1.446 190 Y HN 0.640 nan 8.280 nan 0.000 0.491 191 A N 1.519 124.177 122.820 -0.270 0.000 2.286 191 A HA 0.425 4.744 4.320 -0.002 0.000 0.286 191 A C -0.339 177.142 177.584 -0.172 0.000 1.097 191 A CA -0.619 51.259 52.037 -0.265 0.000 0.821 191 A CB 0.185 19.126 19.000 -0.098 0.000 1.076 191 A HN 0.378 nan 8.150 nan 0.000 0.490 192 E N -0.150 119.960 120.200 -0.151 0.000 2.349 192 E HA 0.355 4.704 4.350 -0.002 0.000 0.265 192 E C -1.136 175.425 176.600 -0.065 0.000 1.064 192 E CA -0.485 55.856 56.400 -0.097 0.000 0.886 192 E CB 1.485 31.131 29.700 -0.089 0.000 1.036 192 E HN 0.406 nan 8.360 nan 0.000 0.413 193 L N 2.026 123.221 121.223 -0.046 0.000 2.341 193 L HA 0.365 4.704 4.340 -0.002 0.000 0.278 193 L C -0.965 175.889 176.870 -0.026 0.000 1.005 193 L CA -0.349 54.472 54.840 -0.031 0.000 0.818 193 L CB 1.541 43.587 42.059 -0.021 0.000 1.259 193 L HN 0.255 nan 8.230 nan 0.000 0.418 194 D N 3.242 123.629 120.400 -0.022 0.000 2.420 194 D HA 0.232 4.871 4.640 -0.002 0.000 0.255 194 D C -1.222 175.072 176.300 -0.011 0.000 1.185 194 D CA -0.216 53.774 54.000 -0.017 0.000 0.904 194 D CB 0.589 41.378 40.800 -0.018 0.000 1.102 194 D HN 0.507 nan 8.370 nan 0.000 0.534 195 N N 2.479 121.174 118.700 -0.008 0.000 2.457 195 N HA 0.245 4.984 4.740 -0.002 0.000 0.250 195 N C 0.290 175.799 175.510 -0.003 0.000 0.982 195 N CA -0.252 52.796 53.050 -0.004 0.000 0.941 195 N CB 0.729 39.214 38.487 -0.003 0.000 1.120 195 N HN 0.197 nan 8.380 nan 0.000 0.505 196 R N 1.717 122.216 120.500 -0.001 0.000 2.509 196 R HA 0.308 4.647 4.340 -0.002 0.000 0.297 196 R C 0.007 176.308 176.300 0.002 0.000 0.951 196 R CA -0.376 55.724 56.100 0.000 0.000 1.103 196 R CB 0.149 30.449 30.300 0.000 0.000 1.283 196 R HN 0.488 nan 8.270 nan 0.000 0.534 197 A N 1.676 124.498 122.820 0.003 0.000 2.498 197 A HA 0.310 4.629 4.320 -0.002 0.000 0.239 197 A C 0.231 177.817 177.584 0.003 0.000 1.068 197 A CA 0.084 52.123 52.037 0.004 0.000 0.766 197 A CB 0.623 19.626 19.000 0.005 0.000 1.003 197 A HN 0.027 nan 8.150 nan 0.000 0.497 198 V N 1.803 121.719 119.914 0.003 0.000 3.113 198 V HA 0.654 4.773 4.120 -0.002 0.000 0.316 198 V C 0.180 176.276 176.094 0.003 0.000 1.125 198 V CA -0.433 61.869 62.300 0.003 0.000 1.026 198 V CB 2.557 34.382 31.823 0.002 0.000 1.080 198 V HN 0.954 nan 8.190 nan 0.000 0.444 199 T N 3.523 118.079 114.554 0.003 0.000 2.743 199 T HA 0.574 4.923 4.350 -0.002 0.000 0.293 199 T C 0.258 174.959 174.700 0.003 0.000 0.945 199 T CA 0.346 62.448 62.100 0.003 0.000 1.030 199 T CB 0.937 69.807 68.868 0.003 0.000 0.912 199 T HN 1.054 nan 8.240 nan 0.000 0.483 200 G N 1.536 110.337 108.800 0.003 0.000 2.557 200 G HA2 0.598 4.557 3.960 -0.002 0.000 0.292 200 G HA3 0.598 4.557 3.960 -0.002 0.000 0.292 200 G C -0.024 174.878 174.900 0.002 0.000 1.237 200 G CA -0.849 44.253 45.100 0.002 0.000 0.978 200 G HN 0.960 nan 8.290 nan 0.000 0.498 201 A N -0.564 122.257 122.820 0.002 0.000 2.386 201 A HA 0.608 4.927 4.320 -0.002 0.000 0.248 201 A C 1.034 178.619 177.584 0.001 0.000 1.082 201 A CA 0.350 52.388 52.037 0.001 0.000 0.789 201 A CB -0.107 18.893 19.000 0.001 0.000 1.025 201 A HN 1.915 nan 8.150 nan 0.000 0.490 202 A N 0.720 123.541 122.820 0.001 0.000 2.565 202 A HA 0.456 4.775 4.320 -0.002 0.000 0.237 202 A C 1.651 179.236 177.584 0.001 0.000 1.053 202 A CA 0.846 52.884 52.037 0.001 0.000 0.755 202 A CB -0.843 18.158 19.000 0.001 0.000 0.980 202 A HN 2.778 nan 8.150 nan 0.000 0.506 203 G N 1.330 110.131 108.800 0.001 0.000 2.168 203 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.263 203 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.263 203 G C 0.636 175.536 174.900 0.000 0.000 0.977 203 G CA 1.248 46.348 45.100 0.000 0.000 0.659 203 G HN 2.140 nan 8.290 nan 0.000 0.533 204 S N -0.449 115.252 115.700 0.001 0.000 2.671 204 S HA 0.820 5.289 4.470 -0.002 0.000 0.272 204 S C 0.570 175.170 174.600 0.000 0.000 1.174 204 S CA 0.307 58.508 58.200 0.000 0.000 1.004 204 S CB 1.762 64.962 63.200 0.001 0.000 1.077 204 S HN 1.857 nan 8.310 nan 0.000 0.553 205 A N 1.434 124.254 122.820 0.000 0.000 2.320 205 A HA 0.442 4.761 4.320 -0.002 0.000 0.287 205 A C 0.237 177.821 177.584 0.001 0.000 1.181 205 A CA -0.648 51.389 52.037 -0.000 0.000 0.831 205 A CB -0.386 18.613 19.000 -0.001 0.000 1.102 205 A HN 0.768 nan 8.150 nan 0.000 0.513 206 N N 2.027 120.727 118.700 0.001 0.000 2.452 206 N HA 0.107 4.846 4.740 -0.002 0.000 0.266 206 N C 0.528 176.039 175.510 0.002 0.000 1.175 206 N CA 0.993 54.044 53.050 0.002 0.000 0.945 206 N CB 0.615 39.103 38.487 0.002 0.000 1.063 206 N HN 0.650 nan 8.380 nan 0.000 0.472 207 T N 1.051 115.607 114.554 0.003 0.000 3.393 207 T HA 0.162 4.511 4.350 -0.002 0.000 0.298 207 T C 0.333 175.038 174.700 0.008 0.000 1.004 207 T CA -0.587 61.516 62.100 0.004 0.000 0.956 207 T CB -0.435 68.435 68.868 0.004 0.000 1.182 207 T HN 0.245 nan 8.240 nan 0.000 0.497 208 L N 2.730 123.959 121.223 0.009 0.000 2.455 208 L HA 0.497 4.836 4.340 -0.002 0.000 0.272 208 L C -0.531 176.351 176.870 0.019 0.000 1.174 208 L CA 0.246 55.094 54.840 0.013 0.000 0.869 208 L CB 0.689 42.755 42.059 0.013 0.000 1.130 208 L HN 0.221 nan 8.230 nan 0.000 0.474 209 V N 6.809 126.737 119.914 0.023 0.000 2.487 209 V HA 0.455 4.574 4.120 -0.002 0.000 0.298 209 V C -0.096 176.021 176.094 0.039 0.000 1.028 209 V CA -0.531 61.791 62.300 0.037 0.000 0.860 209 V CB 1.665 33.511 31.823 0.037 0.000 0.991 209 V HN 0.549 nan 8.190 nan 0.000 0.427 210 I N 3.967 124.572 120.570 0.057 0.000 2.355 210 I HA 0.536 4.705 4.170 -0.002 0.000 0.288 210 I C -0.744 175.408 176.117 0.058 0.000 0.999 210 I CA -0.114 61.214 61.300 0.047 0.000 1.163 210 I CB 1.694 39.720 38.000 0.044 0.000 1.316 210 I HN 0.549 nan 8.210 nan 0.000 0.454 211 D N 4.931 125.339 120.400 0.015 0.000 2.477 211 D HA 0.446 5.085 4.640 -0.002 0.000 0.234 211 D C -0.909 175.352 176.300 -0.065 0.000 1.048 211 D CA -0.749 53.239 54.000 -0.021 0.000 0.959 211 D CB 2.276 43.078 40.800 0.003 0.000 1.408 211 D HN 0.392 nan 8.370 nan 0.000 0.496 212 R N 2.275 122.704 120.500 -0.118 0.000 2.412 212 R HA 0.448 4.787 4.340 -0.002 0.000 0.304 212 R C -2.566 173.683 176.300 -0.085 0.000 1.066 212 R CA -1.675 54.367 56.100 -0.098 0.000 0.923 212 R CB 1.252 31.482 30.300 -0.116 0.000 1.156 212 R HN 0.211 nan 8.270 nan 0.000 0.513 213 P HA -0.123 nan 4.420 nan 0.000 0.267 213 P C -0.288 176.996 177.300 -0.026 0.000 1.200 213 P CA -0.227 62.856 63.100 -0.029 0.000 0.772 213 P CB 0.710 32.400 31.700 -0.018 0.000 0.855 214 V N 3.550 123.459 119.914 -0.009 0.000 2.617 214 V HA 0.242 4.361 4.120 -0.002 0.000 0.304 214 V C 1.434 177.529 176.094 0.001 0.000 1.040 214 V CA 1.920 64.221 62.300 0.001 0.000 1.149 214 V CB -0.519 31.319 31.823 0.025 0.000 0.914 214 V HN 0.988 nan 8.190 nan 0.000 0.487 215 G N 3.742 112.543 108.800 0.001 0.000 2.159 215 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.256 215 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.256 215 G C 0.284 175.178 174.900 -0.010 0.000 0.977 215 G CA 0.721 45.822 45.100 0.001 0.000 0.652 215 G HN 1.669 nan 8.290 nan 0.000 0.531 216 T N -2.871 111.671 114.554 -0.020 0.000 2.932 216 T HA 0.640 4.989 4.350 -0.002 0.000 0.289 216 T C 0.131 174.803 174.700 -0.047 0.000 1.039 216 T CA -0.224 61.855 62.100 -0.035 0.000 1.024 216 T CB 2.035 70.881 68.868 -0.037 0.000 1.090 216 T HN 0.089 nan 8.240 nan 0.000 0.496 217 N N 0.568 119.224 118.700 -0.073 0.000 2.453 217 N HA 0.269 5.008 4.740 -0.002 0.000 0.270 217 N C -0.876 174.566 175.510 -0.113 0.000 1.195 217 N CA -0.290 52.697 53.050 -0.106 0.000 0.902 217 N CB 0.082 38.459 38.487 -0.184 0.000 1.186 217 N HN 0.683 nan 8.380 nan 0.000 0.510 218 T N 0.900 115.407 114.554 -0.079 0.000 2.797 218 T HA 0.398 4.747 4.350 -0.002 0.000 0.279 218 T C -0.054 174.612 174.700 -0.055 0.000 0.991 218 T CA -0.515 61.544 62.100 -0.069 0.000 0.979 218 T CB 1.287 70.122 68.868 -0.055 0.000 0.943 218 T HN -0.045 nan 8.240 nan 0.000 0.444 219 I N 3.124 123.665 120.570 -0.049 0.000 2.304 219 I HA 0.478 4.647 4.170 -0.002 0.000 0.291 219 I C 0.465 176.565 176.117 -0.028 0.000 1.018 219 I CA -0.900 60.378 61.300 -0.038 0.000 1.260 219 I CB 0.409 38.390 38.000 -0.031 0.000 1.390 219 I HN 0.687 nan 8.210 nan 0.000 0.475 220 A N 7.422 130.228 122.820 -0.024 0.000 2.271 220 A HA 0.710 5.029 4.320 -0.002 0.000 0.317 220 A C -0.504 177.077 177.584 -0.004 0.000 1.245 220 A CA -0.480 51.549 52.037 -0.014 0.000 0.857 220 A CB 0.921 19.913 19.000 -0.013 0.000 1.175 220 A HN 0.425 nan 8.150 nan 0.000 0.512 221 V N 3.023 122.936 119.914 -0.002 0.000 2.409 221 V HA 0.694 4.813 4.120 -0.002 0.000 0.291 221 V C 0.383 176.480 176.094 0.006 0.000 1.020 221 V CA -0.158 62.145 62.300 0.005 0.000 0.848 221 V CB 1.117 32.943 31.823 0.004 0.000 0.990 221 V HN 1.081 nan 8.190 nan 0.000 0.430 222 T N 0.860 115.420 114.554 0.010 0.000 2.888 222 T HA 0.967 5.316 4.350 -0.002 0.000 0.288 222 T C 0.241 174.947 174.700 0.010 0.000 1.063 222 T CA -0.073 62.032 62.100 0.009 0.000 1.010 222 T CB 1.889 70.763 68.868 0.010 0.000 1.214 222 T HN 1.912 nan 8.240 nan 0.000 0.533 223 G N 0.386 109.191 108.800 0.008 0.000 2.545 223 G HA2 0.239 4.198 3.960 -0.002 0.000 0.216 223 G HA3 0.239 4.198 3.960 -0.002 0.000 0.216 223 G C -0.304 174.600 174.900 0.006 0.000 1.314 223 G CA -0.090 45.014 45.100 0.007 0.000 0.906 223 G HN 1.827 nan 8.290 nan 0.000 0.563 224 S N -1.196 114.507 115.700 0.005 0.000 2.571 224 S HA 0.658 5.127 4.470 -0.002 0.000 0.284 224 S C -1.111 173.492 174.600 0.005 0.000 1.128 224 S CA -0.388 57.815 58.200 0.005 0.000 0.970 224 S CB 1.533 64.735 63.200 0.003 0.000 1.039 224 S HN 1.637 nan 8.310 nan 0.000 0.485 225 L N 5.922 127.148 121.223 0.005 0.000 2.287 225 L HA 0.661 5.000 4.340 -0.002 0.000 0.287 225 L C -2.496 174.376 176.870 0.004 0.000 1.022 225 L CA -1.882 52.961 54.840 0.005 0.000 0.814 225 L CB 1.313 43.376 42.059 0.006 0.000 1.217 225 L HN 0.460 nan 8.230 nan 0.000 0.420 226 P HA 0.084 nan 4.420 nan 0.000 0.269 226 P C 0.036 177.338 177.300 0.003 0.000 1.209 226 P CA 0.030 63.131 63.100 0.003 0.000 0.776 226 P CB 0.746 32.448 31.700 0.002 0.000 0.876 227 A N 3.091 125.913 122.820 0.003 0.000 2.076 227 A HA -0.204 4.115 4.320 -0.002 0.000 0.220 227 A C 1.337 178.923 177.584 0.003 0.000 1.160 227 A CA 2.129 54.168 52.037 0.003 0.000 0.653 227 A CB -1.026 17.976 19.000 0.003 0.000 0.801 227 A HN 0.653 nan 8.150 nan 0.000 0.455 228 D N -1.070 119.332 120.400 0.003 0.000 2.398 228 D HA 0.409 5.048 4.640 -0.002 0.000 0.210 228 D C 0.652 176.954 176.300 0.003 0.000 1.094 228 D CA 0.372 54.374 54.000 0.003 0.000 0.839 228 D CB -0.621 40.180 40.800 0.002 0.000 0.963 228 D HN 0.348 nan 8.370 nan 0.000 0.506 229 A N 0.659 123.481 122.820 0.004 0.000 2.483 229 A HA 0.533 4.852 4.320 -0.002 0.000 0.238 229 A C 0.750 178.337 177.584 0.005 0.000 1.070 229 A CA -0.010 52.029 52.037 0.004 0.000 0.770 229 A CB 0.068 19.071 19.000 0.004 0.000 1.008 229 A HN 0.393 nan 8.150 nan 0.000 0.497 230 A N 3.482 126.305 122.820 0.005 0.000 2.477 230 A HA 0.520 4.839 4.320 -0.002 0.000 0.246 230 A C -2.042 175.546 177.584 0.008 0.000 1.078 230 A CA -0.995 51.045 52.037 0.006 0.000 0.770 230 A CB -0.773 18.231 19.000 0.007 0.000 1.011 230 A HN 0.679 nan 8.150 nan 0.000 0.494 231 P HA 0.199 nan 4.420 nan 0.000 0.265 231 P C -0.668 176.639 177.300 0.011 0.000 1.187 231 P CA 0.091 63.197 63.100 0.010 0.000 0.766 231 P CB 0.457 32.163 31.700 0.011 0.000 0.820 232 V N 2.855 122.776 119.914 0.012 0.000 2.628 232 V HA 0.580 4.699 4.120 -0.002 0.000 0.306 232 V C 0.260 176.362 176.094 0.013 0.000 1.045 232 V CA -0.261 62.047 62.300 0.012 0.000 0.905 232 V CB 2.121 33.951 31.823 0.012 0.000 0.997 232 V HN 0.750 nan 8.190 nan 0.000 0.436 233 T N 1.238 115.801 114.554 0.014 0.000 2.893 233 T HA 0.912 5.261 4.350 -0.002 0.000 0.291 233 T C -0.666 174.040 174.700 0.011 0.000 1.028 233 T CA -0.662 61.445 62.100 0.011 0.000 0.995 233 T CB 2.055 70.932 68.868 0.015 0.000 1.051 233 T HN 1.200 nan 8.240 nan 0.000 0.470 234 A N 2.700 125.522 122.820 0.004 0.000 2.459 234 A HA 0.670 4.989 4.320 -0.002 0.000 0.296 234 A C -0.718 176.860 177.584 -0.010 0.000 1.039 234 A CA -0.958 51.088 52.037 0.016 0.000 0.698 234 A CB 1.123 20.148 19.000 0.041 0.000 1.261 234 A HN 0.943 nan 8.150 nan 0.000 0.405 235 L N 3.272 124.489 121.223 -0.010 0.000 2.361 235 L HA 0.436 4.775 4.340 -0.002 0.000 0.278 235 L C 0.208 177.078 176.870 0.000 0.000 1.113 235 L CA -0.268 54.545 54.840 -0.044 0.000 0.849 235 L CB 0.305 42.337 42.059 -0.044 0.000 1.155 235 L HN 0.622 nan 8.230 nan 0.000 0.452 236 R N 1.308 121.787 120.500 -0.035 0.000 2.750 236 R HA 0.437 4.776 4.340 -0.002 0.000 0.281 236 R C -0.218 176.048 176.300 -0.056 0.000 0.972 236 R CA -0.708 55.360 56.100 -0.054 0.000 0.912 236 R CB 2.088 32.349 30.300 -0.064 0.000 1.187 236 R HN 0.672 nan 8.270 nan 0.000 0.464 237 T N -1.767 112.738 114.554 -0.082 0.000 2.813 237 T HA 0.396 4.745 4.350 -0.002 0.000 0.297 237 T C 0.730 175.427 174.700 -0.006 0.000 1.036 237 T CA -0.657 61.420 62.100 -0.039 0.000 1.044 237 T CB 0.813 69.646 68.868 -0.057 0.000 0.993 237 T HN 0.370 nan 8.240 nan 0.000 0.535 238 V N -1.246 118.697 119.914 0.048 0.000 2.815 238 V HA 0.585 4.704 4.120 -0.002 0.000 0.314 238 V C -0.269 175.892 176.094 0.112 0.000 1.064 238 V CA -1.338 61.026 62.300 0.106 0.000 0.952 238 V CB 1.474 33.440 31.823 0.238 0.000 1.020 238 V HN 0.934 nan 8.190 nan 0.000 0.439 239 D N 2.416 122.882 120.400 0.109 0.000 2.425 239 D HA 0.170 4.809 4.640 -0.002 0.000 0.247 239 D C 0.115 176.532 176.300 0.196 0.000 1.147 239 D CA 0.976 55.042 54.000 0.109 0.000 0.879 239 D CB 0.204 41.036 40.800 0.053 0.000 1.179 239 D HN 0.793 nan 8.370 nan 0.000 0.456 240 E N 2.494 122.782 120.200 0.147 0.000 2.689 240 E HA -0.144 4.205 4.350 -0.002 0.000 0.165 240 E C -1.905 174.753 176.600 0.097 0.000 1.609 240 E CA 0.051 56.534 56.400 0.138 0.000 0.674 240 E CB -0.866 28.934 29.700 0.166 0.000 1.103 240 E HN 0.497 nan 8.360 nan 0.000 0.373 241 P HA -0.221 nan 4.420 nan 0.000 0.217 241 P C 1.315 178.598 177.300 -0.029 0.000 1.151 241 P CA 2.286 65.401 63.100 0.024 0.000 0.849 241 P CB 0.196 31.929 31.700 0.055 0.000 0.787 242 A N -0.330 122.485 122.820 -0.008 0.000 1.929 242 A HA 0.022 4.341 4.320 -0.002 0.000 0.216 242 A C 2.283 179.837 177.584 -0.050 0.000 1.176 242 A CA 1.675 53.698 52.037 -0.023 0.000 0.628 242 A CB -1.409 17.593 19.000 0.004 0.000 0.816 242 A HN 0.198 nan 8.150 nan 0.000 0.444 243 A N -0.687 122.104 122.820 -0.048 0.000 2.015 243 A HA 0.076 4.394 4.320 -0.002 0.000 0.219 243 A C 2.037 179.379 177.584 -0.404 0.000 1.163 243 A CA 1.487 53.484 52.037 -0.067 0.000 0.646 243 A CB -0.440 18.651 19.000 0.151 0.000 0.806 243 A HN 0.544 nan 8.150 nan 0.000 0.448 244 L N -0.242 120.577 121.223 -0.674 0.000 2.027 244 L HA 0.015 4.354 4.340 -0.002 0.000 0.206 244 L C 2.673 179.407 176.870 -0.226 0.000 1.074 244 L CA 2.032 56.436 54.840 -0.728 0.000 0.745 244 L CB -0.828 40.901 42.059 -0.549 0.000 0.898 244 L HN 0.320 nan 8.230 nan 0.000 0.433 245 A N -0.533 122.209 122.820 -0.130 0.000 1.940 245 A HA -0.133 4.186 4.320 -0.002 0.000 0.219 245 A C 2.311 179.900 177.584 0.009 0.000 1.176 245 A CA 1.722 53.733 52.037 -0.043 0.000 0.631 245 A CB -1.564 17.405 19.000 -0.052 0.000 0.814 245 A HN 0.543 nan 8.150 nan 0.000 0.446 246 G N -1.236 107.561 108.800 -0.006 0.000 2.414 246 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.215 246 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.215 246 G C 1.473 176.422 174.900 0.081 0.000 1.188 246 G CA 1.371 46.504 45.100 0.054 0.000 0.783 246 G HN 0.772 nan 8.290 nan 0.000 0.537 247 H N 0.547 119.588 119.070 -0.048 0.000 2.319 247 H HA 0.044 4.599 4.556 -0.002 0.000 0.299 247 H C 2.466 177.796 175.328 0.003 0.000 1.092 247 H CA 1.597 57.634 56.048 -0.019 0.000 1.302 247 H CB -0.285 29.457 29.762 -0.034 0.000 1.373 247 H HN 0.267 nan 8.280 nan 0.000 0.497 248 L N -0.994 120.230 121.223 0.001 0.000 2.201 248 L HA -0.121 4.218 4.340 -0.002 0.000 0.212 248 L C 2.013 178.897 176.870 0.023 0.000 1.105 248 L CA 0.795 55.627 54.840 -0.014 0.000 0.775 248 L CB -0.356 41.740 42.059 0.063 0.000 0.913 248 L HN 0.306 nan 8.230 nan 0.000 0.440 249 F N 1.212 121.103 119.950 -0.097 0.000 2.293 249 F HA -0.137 4.389 4.527 -0.002 0.000 0.297 249 F C 2.431 178.174 175.800 -0.094 0.000 1.089 249 F CA 1.387 59.340 58.000 -0.079 0.000 1.377 249 F CB -0.090 38.876 39.000 -0.056 0.000 1.051 249 F HN 0.104 nan 8.300 nan 0.000 0.511 250 E N 0.620 120.727 120.200 -0.154 0.000 2.058 250 E HA -0.257 4.092 4.350 -0.002 0.000 0.194 250 E C 1.909 178.348 176.600 -0.269 0.000 0.997 250 E CA 2.222 58.478 56.400 -0.240 0.000 0.801 250 E CB -0.487 29.110 29.700 -0.172 0.000 0.746 250 E HN 0.572 nan 8.360 nan 0.000 0.450 251 E N 0.051 120.092 120.200 -0.265 0.000 2.051 251 E HA -0.194 4.155 4.350 -0.002 0.000 0.192 251 E C 2.136 178.630 176.600 -0.177 0.000 0.991 251 E CA 1.153 57.425 56.400 -0.213 0.000 0.799 251 E CB -0.288 29.289 29.700 -0.205 0.000 0.748 251 E HN 0.467 nan 8.360 nan 0.000 0.449 252 A N 0.979 123.689 122.820 -0.182 0.000 1.933 252 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 252 A C 2.167 179.597 177.584 -0.256 0.000 1.175 252 A CA 0.949 52.886 52.037 -0.167 0.000 0.628 252 A CB -0.550 18.402 19.000 -0.081 0.000 0.814 252 A HN 0.121 nan 8.150 nan 0.000 0.444 253 L N -1.168 119.796 121.223 -0.431 0.000 1.994 253 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 253 L C 2.666 179.402 176.870 -0.223 0.000 1.071 253 L CA 1.883 56.484 54.840 -0.399 0.000 0.745 253 L CB -0.509 41.247 42.059 -0.507 0.000 0.892 253 L HN 0.372 nan 8.230 nan 0.000 0.431 254 E N -0.315 119.769 120.200 -0.194 0.000 2.077 254 E HA -0.193 4.156 4.350 -0.002 0.000 0.193 254 E C 2.312 178.852 176.600 -0.100 0.000 0.989 254 E CA 1.327 57.650 56.400 -0.129 0.000 0.800 254 E CB -0.007 29.622 29.700 -0.117 0.000 0.746 254 E HN 0.194 nan 8.360 nan 0.000 0.452 255 S N 0.254 115.892 115.700 -0.102 0.000 2.419 255 S HA -0.074 4.395 4.470 -0.002 0.000 0.235 255 S C 0.984 175.545 174.600 -0.065 0.000 1.019 255 S CA 0.773 58.930 58.200 -0.073 0.000 0.982 255 S CB -0.186 62.975 63.200 -0.066 0.000 0.789 255 S HN 0.308 nan 8.310 nan 0.000 0.490 256 N N 0.486 119.136 118.700 -0.083 0.000 2.320 256 N HA 0.175 4.914 4.740 -0.002 0.000 0.237 256 N C 0.768 176.240 175.510 -0.063 0.000 1.129 256 N CA 0.474 53.485 53.050 -0.066 0.000 0.854 256 N CB 0.769 39.215 38.487 -0.067 0.000 1.083 256 N HN 0.426 nan 8.380 nan 0.000 0.504 257 G N 0.640 109.401 108.800 -0.064 0.000 2.198 257 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.260 257 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.260 257 G C -0.087 174.778 174.900 -0.058 0.000 1.025 257 G CA 0.059 45.127 45.100 -0.053 0.000 0.769 257 G HN 0.209 nan 8.290 nan 0.000 0.507 258 V N 1.149 121.014 119.914 -0.081 0.000 2.328 258 V HA 0.468 4.587 4.120 -0.002 0.000 0.278 258 V C 0.749 176.789 176.094 -0.091 0.000 1.021 258 V CA -0.282 61.968 62.300 -0.083 0.000 0.838 258 V CB 1.516 33.278 31.823 -0.103 0.000 0.999 258 V HN 0.304 nan 8.190 nan 0.000 0.447 259 T N 4.985 119.499 114.554 -0.067 0.000 2.779 259 T HA 0.309 4.658 4.350 -0.002 0.000 0.296 259 T C 0.086 174.747 174.700 -0.064 0.000 0.938 259 T CA -0.093 61.970 62.100 -0.062 0.000 1.119 259 T CB 0.942 69.784 68.868 -0.043 0.000 0.891 259 T HN 0.376 nan 8.240 nan 0.000 0.526 260 V N 5.946 125.814 119.914 -0.076 0.000 2.364 260 V HA 0.213 4.332 4.120 -0.002 0.000 0.272 260 V C 1.180 177.241 176.094 -0.055 0.000 1.036 260 V CA -0.599 61.657 62.300 -0.072 0.000 0.880 260 V CB 1.182 32.948 31.823 -0.095 0.000 0.991 260 V HN 0.780 nan 8.190 nan 0.000 0.460 261 K N 3.289 123.664 120.400 -0.043 0.000 2.211 261 K HA 0.167 4.486 4.320 -0.002 0.000 0.201 261 K C 1.208 177.787 176.600 -0.035 0.000 1.052 261 K CA 0.815 57.083 56.287 -0.032 0.000 0.973 261 K CB 0.233 32.721 32.500 -0.020 0.000 0.766 261 K HN 0.731 nan 8.250 nan 0.000 0.466 262 G N 1.118 109.890 108.800 -0.048 0.000 2.714 262 G HA2 0.151 4.110 3.960 -0.002 0.000 0.197 262 G HA3 0.151 4.110 3.960 -0.002 0.000 0.197 262 G C -0.513 174.338 174.900 -0.080 0.000 1.449 262 G CA -0.323 44.742 45.100 -0.059 0.000 1.065 262 G HN -0.026 nan 8.290 nan 0.000 0.575 263 D N -1.124 119.203 120.400 -0.122 0.000 2.384 263 D HA 0.530 5.169 4.640 -0.002 0.000 0.250 263 D C -0.454 175.730 176.300 -0.195 0.000 1.029 263 D CA -0.140 53.785 54.000 -0.125 0.000 0.990 263 D CB 2.063 42.801 40.800 -0.104 0.000 1.175 263 D HN 0.066 nan 8.370 nan 0.000 0.532 264 V N 0.079 119.922 119.914 -0.117 0.000 2.448 264 V HA 0.844 4.963 4.120 -0.002 0.000 0.295 264 V C 0.634 176.692 176.094 -0.059 0.000 1.025 264 V CA -0.481 61.755 62.300 -0.108 0.000 0.859 264 V CB 1.291 33.113 31.823 -0.001 0.000 0.988 264 V HN 0.720 nan 8.190 nan 0.000 0.431 265 G N 3.112 111.863 108.800 -0.081 0.000 2.606 265 G HA2 0.634 4.593 3.960 -0.002 0.000 0.300 265 G HA3 0.634 4.593 3.960 -0.002 0.000 0.300 265 G C -1.563 173.421 174.900 0.140 0.000 1.360 265 G CA -0.991 44.142 45.100 0.054 0.000 0.783 265 G HN 0.584 nan 8.290 nan 0.000 0.484 266 L N 0.259 121.583 121.223 0.167 0.000 2.350 266 L HA 0.722 5.061 4.340 -0.002 0.000 0.275 266 L C 0.779 177.779 176.870 0.216 0.000 1.099 266 L CA -0.084 54.854 54.840 0.163 0.000 0.808 266 L CB 1.243 43.366 42.059 0.106 0.000 1.149 266 L HN 0.950 nan 8.230 nan 0.000 0.442 267 G N 0.826 109.721 108.800 0.158 0.000 2.442 267 G HA2 0.485 4.444 3.960 -0.002 0.000 0.296 267 G HA3 0.485 4.444 3.960 -0.002 0.000 0.296 267 G C -1.252 173.704 174.900 0.094 0.000 1.564 267 G CA -0.345 44.757 45.100 0.003 0.000 0.828 267 G HN 0.787 nan 8.290 nan 0.000 0.571 268 G N -0.644 108.145 108.800 -0.017 0.000 2.389 268 G HA2 0.619 4.578 3.960 -0.002 0.000 0.328 268 G HA3 0.619 4.578 3.960 -0.002 0.000 0.328 268 G C 0.158 174.789 174.900 -0.449 0.000 1.133 268 G CA -0.535 44.500 45.100 -0.108 0.000 0.891 268 G HN 1.152 nan 8.290 nan 0.000 0.485 269 V N 3.236 122.666 119.914 -0.807 0.000 2.584 269 V HA -0.036 4.083 4.120 -0.002 0.000 0.303 269 V C -0.710 174.835 176.094 -0.916 0.000 1.035 269 V CA -0.310 61.145 62.300 -1.409 0.000 1.172 269 V CB 1.023 32.287 31.823 -0.931 0.000 0.896 269 V HN 0.672 nan 8.190 nan 0.000 0.486 270 P HA -0.222 nan 4.420 nan 0.000 0.216 270 P C 1.112 178.238 177.300 -0.290 0.000 1.157 270 P CA 2.250 65.005 63.100 -0.575 0.000 0.880 270 P CB 0.067 31.424 31.700 -0.571 0.000 0.791 271 A N -1.419 121.277 122.820 -0.207 0.000 3.682 271 A HA -0.221 4.098 4.320 -0.002 0.000 0.230 271 A C 1.377 178.975 177.584 0.024 0.000 0.840 271 A CA 1.375 53.374 52.037 -0.062 0.000 1.755 271 A CB -2.673 16.281 19.000 -0.076 0.000 0.877 271 A HN 0.445 nan 8.150 nan 0.000 0.708 272 D N -1.252 119.184 120.400 0.060 0.000 2.340 272 D HA 0.118 4.757 4.640 -0.002 0.000 0.220 272 D C 0.222 176.667 176.300 0.242 0.000 1.039 272 D CA 0.048 54.121 54.000 0.122 0.000 0.866 272 D CB -0.480 40.381 40.800 0.102 0.000 0.913 272 D HN 0.543 nan 8.370 nan 0.000 0.523 273 W N 2.071 123.342 121.300 -0.049 0.000 2.469 273 W HA 0.205 4.865 4.660 -0.001 0.000 0.321 273 W C 1.372 177.868 176.519 -0.038 0.000 1.415 273 W CA -0.559 56.758 57.345 -0.046 0.000 1.308 273 W CB 0.639 30.050 29.460 -0.081 0.000 1.368 273 W HN -0.018 nan 8.180 nan 0.000 0.546 274 Q N 1.164 121.024 119.800 0.099 0.000 2.187 274 Q HA -0.081 4.258 4.340 -0.002 0.000 0.199 274 Q C -0.057 175.965 176.000 0.036 0.000 0.957 274 Q CA 1.261 57.092 55.803 0.046 0.000 0.857 274 Q CB 0.227 28.968 28.738 0.005 0.000 0.929 274 Q HN 0.447 nan 8.270 nan 0.000 0.453 275 D N -0.851 119.561 120.400 0.021 0.000 2.491 275 D HA 0.269 4.908 4.640 -0.002 0.000 0.232 275 D C -1.373 174.930 176.300 0.005 0.000 1.334 275 D CA -0.072 53.936 54.000 0.014 0.000 0.909 275 D CB 0.261 41.055 40.800 -0.010 0.000 1.513 275 D HN 0.067 nan 8.370 nan 0.000 0.514 276 A N 2.320 125.186 122.820 0.076 0.000 2.498 276 A HA 0.394 4.713 4.320 -0.002 0.000 0.239 276 A C 0.381 177.993 177.584 0.046 0.000 1.068 276 A CA 0.001 52.105 52.037 0.112 0.000 0.766 276 A CB 0.467 19.634 19.000 0.278 0.000 1.003 276 A HN 0.437 nan 8.150 nan 0.000 0.497 277 E N 1.872 122.083 120.200 0.018 0.000 2.081 277 E HA 0.432 4.781 4.350 -0.002 0.000 0.281 277 E C -0.977 175.657 176.600 0.057 0.000 0.986 277 E CA -0.287 56.121 56.400 0.014 0.000 0.796 277 E CB 0.865 30.551 29.700 -0.023 0.000 1.085 277 E HN 0.337 nan 8.360 nan 0.000 0.398 278 V N 7.362 127.303 119.914 0.046 0.000 2.427 278 V HA 0.079 4.197 4.120 -0.002 0.000 0.268 278 V C 1.023 177.143 176.094 0.044 0.000 1.046 278 V CA 0.087 62.417 62.300 0.049 0.000 0.970 278 V CB 0.698 32.534 31.823 0.022 0.000 1.001 278 V HN 0.823 nan 8.190 nan 0.000 0.476 279 L N 3.961 125.223 121.223 0.064 0.000 2.590 279 L HA 0.587 4.926 4.340 -0.002 0.000 0.227 279 L C 0.776 177.686 176.870 0.066 0.000 1.099 279 L CA 0.469 55.347 54.840 0.064 0.000 0.872 279 L CB 0.314 42.425 42.059 0.086 0.000 1.088 279 L HN 0.743 nan 8.230 nan 0.000 0.479 280 A N 0.521 123.379 122.820 0.063 0.000 2.594 280 A HA 0.570 4.889 4.320 -0.002 0.000 0.296 280 A C -1.940 175.661 177.584 0.028 0.000 1.061 280 A CA -0.528 51.544 52.037 0.058 0.000 0.689 280 A CB 1.458 20.517 19.000 0.098 0.000 1.280 280 A HN 0.184 nan 8.150 nan 0.000 0.406 281 D N -0.613 119.804 120.400 0.028 0.000 2.609 281 D HA 0.627 5.266 4.640 -0.002 0.000 0.239 281 D C -0.947 175.396 176.300 0.072 0.000 1.229 281 D CA -0.357 53.650 54.000 0.011 0.000 0.808 281 D CB 1.221 42.007 40.800 -0.023 0.000 1.448 281 D HN 0.723 nan 8.370 nan 0.000 0.433 282 H N -0.970 118.059 119.070 -0.070 0.000 2.851 282 H HA 0.688 5.243 4.556 -0.002 0.000 0.372 282 H C -1.447 173.839 175.328 -0.071 0.000 1.158 282 H CA -0.428 55.584 56.048 -0.059 0.000 1.159 282 H CB 2.420 32.150 29.762 -0.055 0.000 1.757 282 H HN 0.389 nan 8.280 nan 0.000 0.546 283 T N 3.335 117.442 114.554 -0.745 0.000 2.815 283 T HA 0.308 4.657 4.350 -0.002 0.000 0.289 283 T C -0.197 174.130 174.700 -0.622 0.000 1.000 283 T CA -0.587 61.204 62.100 -0.515 0.000 0.958 283 T CB 0.685 69.370 68.868 -0.305 0.000 0.944 283 T HN 0.767 nan 8.240 nan 0.000 0.442 284 S N 3.080 118.576 115.700 -0.340 0.000 2.592 284 S HA 0.525 4.994 4.470 -0.002 0.000 0.256 284 S C 0.905 175.436 174.600 -0.116 0.000 1.369 284 S CA -0.450 57.659 58.200 -0.152 0.000 0.984 284 S CB 0.256 63.473 63.200 0.029 0.000 0.919 284 S HN 0.939 nan 8.310 nan 0.000 0.576 285 A N 0.765 123.559 122.820 -0.044 0.000 2.346 285 A HA 0.358 4.677 4.320 -0.002 0.000 0.255 285 A C 0.479 178.064 177.584 0.003 0.000 1.113 285 A CA -0.425 51.605 52.037 -0.011 0.000 0.798 285 A CB -0.369 18.652 19.000 0.036 0.000 1.073 285 A HN 0.916 nan 8.150 nan 0.000 0.502 286 E N -0.899 119.307 120.200 0.010 0.000 2.349 286 E HA 0.186 4.535 4.350 -0.002 0.000 0.262 286 E C 0.838 177.490 176.600 0.087 0.000 1.088 286 E CA -0.609 55.797 56.400 0.011 0.000 0.899 286 E CB 0.651 30.355 29.700 0.005 0.000 1.044 286 E HN 0.552 nan 8.360 nan 0.000 0.420 287 L N 2.518 123.805 121.223 0.107 0.000 2.081 287 L HA -0.257 4.082 4.340 -0.002 0.000 0.212 287 L C 2.063 179.034 176.870 0.168 0.000 1.080 287 L CA 2.334 57.282 54.840 0.181 0.000 0.754 287 L CB -0.758 41.399 42.059 0.163 0.000 0.893 287 L HN 0.646 nan 8.230 nan 0.000 0.433 288 S N -1.461 114.324 115.700 0.141 0.000 2.399 288 S HA -0.137 4.332 4.470 -0.002 0.000 0.231 288 S C 1.667 176.367 174.600 0.167 0.000 1.022 288 S CA 1.112 59.405 58.200 0.155 0.000 0.983 288 S CB -0.516 62.767 63.200 0.139 0.000 0.803 288 S HN 0.578 nan 8.310 nan 0.000 0.480 289 E N 1.442 121.737 120.200 0.158 0.000 2.190 289 E HA 0.225 4.574 4.350 -0.002 0.000 0.191 289 E C 2.092 178.827 176.600 0.225 0.000 0.978 289 E CA 0.406 56.913 56.400 0.178 0.000 0.839 289 E CB -0.447 29.341 29.700 0.147 0.000 0.787 289 E HN 0.568 nan 8.360 nan 0.000 0.473 290 I N 1.173 121.863 120.570 0.200 0.000 2.493 290 I HA -0.187 3.982 4.170 -0.002 0.000 0.254 290 I C 2.274 178.582 176.117 0.318 0.000 1.160 290 I CA 0.615 62.036 61.300 0.202 0.000 1.445 290 I CB -0.203 37.856 38.000 0.099 0.000 1.086 290 I HN 0.030 nan 8.210 nan 0.000 0.433 291 L N 0.045 121.458 121.223 0.316 0.000 2.191 291 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 291 L C 2.457 179.499 176.870 0.287 0.000 1.103 291 L CA 0.877 55.945 54.840 0.379 0.000 0.769 291 L CB -0.393 41.828 42.059 0.270 0.000 0.908 291 L HN 0.127 nan 8.230 nan 0.000 0.438 292 V N 0.522 120.597 119.914 0.268 0.000 2.221 292 V HA -0.149 3.970 4.120 -0.002 0.000 0.242 292 V C -0.155 176.069 176.094 0.216 0.000 1.041 292 V CA 1.841 64.264 62.300 0.206 0.000 0.995 292 V CB -1.980 30.005 31.823 0.269 0.000 0.635 292 V HN 0.330 nan 8.190 nan 0.000 0.448 293 P HA -0.241 nan 4.420 nan 0.000 0.216 293 P C 1.798 179.394 177.300 0.494 0.000 1.150 293 P CA 1.903 65.311 63.100 0.513 0.000 0.843 293 P CB -0.215 31.953 31.700 0.781 0.000 0.787 294 F N 0.237 120.425 119.950 0.398 0.000 2.075 294 F HA -0.169 4.356 4.527 -0.002 0.000 0.297 294 F C 2.124 178.014 175.800 0.149 0.000 1.113 294 F CA 1.487 59.712 58.000 0.376 0.000 1.218 294 F CB -0.344 38.920 39.000 0.440 0.000 0.984 294 F HN -0.293 nan 8.300 nan 0.000 0.472 295 M N 0.303 119.680 119.600 -0.371 0.000 2.334 295 M HA -0.049 4.430 4.480 -0.002 0.000 0.266 295 M C 1.903 177.977 176.300 -0.377 0.000 1.082 295 M CA 0.974 55.949 55.300 -0.541 0.000 1.141 295 M CB -0.902 31.410 32.600 -0.479 0.000 1.380 295 M HN 0.085 nan 8.290 nan 0.000 0.440 296 K N 0.411 120.578 120.400 -0.388 0.000 2.026 296 K HA -0.057 4.262 4.320 -0.002 0.000 0.208 296 K C 1.657 177.841 176.600 -0.692 0.000 1.048 296 K CA 1.465 57.368 56.287 -0.641 0.000 0.929 296 K CB -0.498 31.391 32.500 -1.018 0.000 0.713 296 K HN 0.305 nan 8.250 nan 0.000 0.439 297 F N 0.636 120.479 119.950 -0.178 0.000 2.727 297 F HA 0.199 4.725 4.527 -0.002 0.000 0.302 297 F C 0.695 176.433 175.800 -0.103 0.000 1.097 297 F CA -0.308 57.603 58.000 -0.148 0.000 1.330 297 F CB -0.077 38.823 39.000 -0.166 0.000 1.084 297 F HN -0.175 nan 8.300 nan 0.000 0.578 298 S N 1.372 117.055 115.700 -0.028 0.000 3.667 298 S HA -0.310 4.159 4.470 -0.002 0.000 0.405 298 S C 0.051 174.705 174.600 0.090 0.000 0.913 298 S CA 0.155 58.330 58.200 -0.041 0.000 1.288 298 S CB -1.906 61.262 63.200 -0.053 0.000 0.905 298 S HN 0.636 nan 8.310 nan 0.000 0.550 299 N N 1.711 120.526 118.700 0.191 0.000 2.401 299 N HA 0.328 5.067 4.740 -0.002 0.000 0.255 299 N C 1.168 176.858 175.510 0.300 0.000 1.110 299 N CA -0.580 52.574 53.050 0.174 0.000 0.949 299 N CB 0.380 38.824 38.487 -0.071 0.000 1.110 299 N HN 0.376 nan 8.380 nan 0.000 0.490 300 N N 2.758 121.586 118.700 0.213 0.000 2.106 300 N HA -0.094 4.645 4.740 -0.002 0.000 0.188 300 N C 1.814 177.489 175.510 0.274 0.000 1.029 300 N CA 1.253 54.451 53.050 0.248 0.000 0.848 300 N CB -0.593 37.994 38.487 0.167 0.000 1.007 300 N HN 0.709 nan 8.380 nan 0.000 0.423 301 G N 0.594 109.522 108.800 0.214 0.000 2.476 301 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.218 301 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.218 301 G C 1.285 176.332 174.900 0.245 0.000 1.164 301 G CA 1.090 46.334 45.100 0.240 0.000 0.768 301 G HN 0.500 nan 8.290 nan 0.000 0.560 302 H N 0.546 119.651 119.070 0.059 0.000 2.319 302 H HA -0.107 4.448 4.556 -0.002 0.000 0.297 302 H C 3.043 178.138 175.328 -0.390 0.000 1.097 302 H CA 0.725 56.646 56.048 -0.210 0.000 1.285 302 H CB 0.020 29.613 29.762 -0.282 0.000 1.368 302 H HN 0.453 nan 8.280 nan 0.000 0.495 303 A N 1.352 124.145 122.820 -0.045 0.000 1.883 303 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 303 A C 2.208 179.861 177.584 0.115 0.000 1.186 303 A CA 1.775 53.855 52.037 0.072 0.000 0.624 303 A CB -0.180 19.084 19.000 0.440 0.000 0.822 303 A HN 0.363 nan 8.150 nan 0.000 0.444 304 E N -0.183 120.150 120.200 0.223 0.000 2.072 304 E HA -0.141 4.208 4.350 -0.002 0.000 0.191 304 E C 2.103 178.643 176.600 -0.100 0.000 0.985 304 E CA 1.206 57.749 56.400 0.239 0.000 0.801 304 E CB -0.582 29.420 29.700 0.504 0.000 0.750 304 E HN 0.728 nan 8.360 nan 0.000 0.452 305 M N 0.399 119.962 119.600 -0.062 0.000 2.108 305 M HA -0.147 4.331 4.480 -0.002 0.000 0.261 305 M C 2.420 178.601 176.300 -0.198 0.000 1.066 305 M CA 1.315 56.551 55.300 -0.106 0.000 1.107 305 M CB -0.375 32.236 32.600 0.020 0.000 1.356 305 M HN 0.057 nan 8.290 nan 0.000 0.406 306 L N -0.702 120.407 121.223 -0.189 0.000 2.141 306 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 306 L C 2.394 179.193 176.870 -0.117 0.000 1.094 306 L CA 0.667 55.417 54.840 -0.150 0.000 0.763 306 L CB -0.514 41.436 42.059 -0.182 0.000 0.908 306 L HN 0.140 nan 8.230 nan 0.000 0.437 307 V N 0.011 119.852 119.914 -0.122 0.000 2.270 307 V HA -0.276 3.843 4.120 -0.002 0.000 0.245 307 V C 2.436 178.353 176.094 -0.296 0.000 1.043 307 V CA 1.692 63.922 62.300 -0.117 0.000 1.014 307 V CB -0.519 31.325 31.823 0.036 0.000 0.645 307 V HN 0.427 nan 8.190 nan 0.000 0.447 308 K N 0.023 120.059 120.400 -0.607 0.000 2.147 308 K HA -0.131 4.188 4.320 -0.002 0.000 0.205 308 K C 2.395 178.635 176.600 -0.599 0.000 1.049 308 K CA 1.603 57.344 56.287 -0.910 0.000 0.936 308 K CB -0.315 31.091 32.500 -1.823 0.000 0.722 308 K HN 0.369 nan 8.250 nan 0.000 0.446 309 S N 1.399 116.914 115.700 -0.307 0.000 2.368 309 S HA -0.063 4.406 4.470 -0.002 0.000 0.224 309 S C 1.993 176.601 174.600 0.012 0.000 1.029 309 S CA 0.845 59.112 58.200 0.112 0.000 0.988 309 S CB -0.163 63.214 63.200 0.295 0.000 0.838 309 S HN 0.184 nan 8.310 nan 0.000 0.462 310 I N 1.518 122.051 120.570 -0.062 0.000 2.163 310 I HA -0.200 3.969 4.170 -0.002 0.000 0.243 310 I C 2.675 178.744 176.117 -0.079 0.000 1.085 310 I CA 1.309 62.572 61.300 -0.062 0.000 1.347 310 I CB -0.840 37.130 38.000 -0.050 0.000 1.044 310 I HN 0.373 nan 8.210 nan 0.000 0.408 311 G N -0.312 108.410 108.800 -0.130 0.000 2.476 311 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.218 311 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.218 311 G C 1.597 176.406 174.900 -0.152 0.000 1.164 311 G CA 0.523 45.535 45.100 -0.146 0.000 0.768 311 G HN 0.305 nan 8.290 nan 0.000 0.560 312 Q N -0.083 119.609 119.800 -0.181 0.000 2.084 312 Q HA -0.103 4.236 4.340 -0.002 0.000 0.202 312 Q C 2.497 178.435 176.000 -0.104 0.000 0.978 312 Q CA 1.641 57.301 55.803 -0.237 0.000 0.844 312 Q CB -0.254 28.242 28.738 -0.404 0.000 0.898 312 Q HN 0.593 nan 8.270 nan 0.000 0.426 313 E N 0.168 120.356 120.200 -0.021 0.000 2.051 313 E HA -0.129 4.220 4.350 -0.002 0.000 0.192 313 E C 1.816 178.411 176.600 -0.009 0.000 0.991 313 E CA 2.153 58.563 56.400 0.016 0.000 0.799 313 E CB -0.181 29.523 29.700 0.006 0.000 0.748 313 E HN 0.430 nan 8.360 nan 0.000 0.449 314 T N -2.964 111.571 114.554 -0.031 0.000 3.043 314 T HA 0.275 4.624 4.350 -0.002 0.000 0.263 314 T C 1.419 176.098 174.700 -0.034 0.000 1.094 314 T CA 0.827 62.912 62.100 -0.026 0.000 1.127 314 T CB 0.331 69.183 68.868 -0.027 0.000 0.905 314 T HN 0.191 nan 8.240 nan 0.000 0.490 315 A N -0.281 122.505 122.820 -0.056 0.000 2.644 315 A HA 0.676 4.995 4.320 -0.002 0.000 0.193 315 A C 1.635 179.167 177.584 -0.088 0.000 1.464 315 A CA 0.460 52.459 52.037 -0.064 0.000 1.095 315 A CB -0.208 18.752 19.000 -0.066 0.000 1.405 315 A HN 1.276 nan 8.150 nan 0.000 0.558 316 G N -0.731 107.995 108.800 -0.124 0.000 2.160 316 G HA2 0.183 4.142 3.960 -0.002 0.000 0.251 316 G HA3 0.183 4.142 3.960 -0.002 0.000 0.251 316 G C 0.295 175.061 174.900 -0.223 0.000 1.008 316 G CA 0.450 45.443 45.100 -0.178 0.000 0.724 316 G HN 1.928 nan 8.290 nan 0.000 0.514 317 A N 0.042 122.736 122.820 -0.211 0.000 2.363 317 A HA 0.774 5.093 4.320 -0.002 0.000 0.296 317 A C 0.579 178.019 177.584 -0.241 0.000 1.237 317 A CA 0.444 52.364 52.037 -0.195 0.000 0.773 317 A CB 1.128 20.048 19.000 -0.133 0.000 1.153 317 A HN 1.670 nan 8.150 nan 0.000 0.473 318 G N 1.671 110.314 108.800 -0.262 0.000 3.064 318 G HA2 0.485 4.444 3.960 -0.002 0.000 0.286 318 G HA3 0.485 4.444 3.960 -0.002 0.000 0.286 318 G C -0.206 174.472 174.900 -0.370 0.000 0.834 318 G CA 0.132 45.065 45.100 -0.278 0.000 1.856 318 G HN 0.638 nan 8.290 nan 0.000 0.559 319 T N 0.593 114.898 114.554 -0.416 0.000 2.982 319 T HA 0.184 4.533 4.350 -0.002 0.000 0.321 319 T C 0.306 174.839 174.700 -0.279 0.000 1.229 319 T CA -0.638 61.276 62.100 -0.310 0.000 1.044 319 T CB 0.953 69.722 68.868 -0.166 0.000 1.184 319 T HN 0.388 nan 8.240 nan 0.000 0.477 320 W N 1.437 122.627 121.300 -0.183 0.000 2.358 320 W HA -0.077 4.583 4.660 0.000 0.000 0.303 320 W C 1.535 177.980 176.519 -0.124 0.000 1.208 320 W CA 1.188 58.437 57.345 -0.161 0.000 1.274 320 W CB -0.351 29.009 29.460 -0.167 0.000 1.138 320 W HN 0.768 nan 8.180 nan 0.000 0.515 321 D N -0.302 120.158 120.400 0.099 0.000 2.117 321 D HA -0.124 4.515 4.640 -0.002 0.000 0.197 321 D C 2.279 178.579 176.300 0.000 0.000 0.987 321 D CA 2.101 56.122 54.000 0.034 0.000 0.829 321 D CB -0.608 40.197 40.800 0.008 0.000 0.961 321 D HN 0.004 nan 8.370 nan 0.000 0.460 322 A N 0.185 122.985 122.820 -0.033 0.000 1.898 322 A HA 0.134 4.452 4.320 -0.002 0.000 0.214 322 A C 2.321 179.876 177.584 -0.049 0.000 1.183 322 A CA 1.701 53.707 52.037 -0.051 0.000 0.622 322 A CB -0.902 18.050 19.000 -0.081 0.000 0.824 322 A HN 0.286 nan 8.150 nan 0.000 0.444 323 G N -0.134 108.626 108.800 -0.066 0.000 2.421 323 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.216 323 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.216 323 G C 1.371 176.272 174.900 0.001 0.000 1.171 323 G CA 1.106 46.170 45.100 -0.059 0.000 0.775 323 G HN 0.311 nan 8.290 nan 0.000 0.543 324 L N 0.637 121.884 121.223 0.039 0.000 2.046 324 L HA -0.013 4.326 4.340 -0.002 0.000 0.208 324 L C 3.138 180.021 176.870 0.023 0.000 1.077 324 L CA 0.836 55.706 54.840 0.051 0.000 0.747 324 L CB -0.923 41.172 42.059 0.060 0.000 0.896 324 L HN 0.110 nan 8.230 nan 0.000 0.432 325 V N -0.393 119.526 119.914 0.009 0.000 2.343 325 V HA -0.206 3.913 4.120 -0.002 0.000 0.247 325 V C 2.522 178.618 176.094 0.003 0.000 1.051 325 V CA 1.789 64.089 62.300 0.001 0.000 1.036 325 V CB -1.199 30.619 31.823 -0.008 0.000 0.654 325 V HN 0.568 nan 8.190 nan 0.000 0.451 326 G N -0.657 108.142 108.800 -0.001 0.000 2.443 326 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.219 326 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.219 326 G C 1.647 176.558 174.900 0.017 0.000 1.131 326 G CA 1.053 46.154 45.100 0.001 0.000 0.775 326 G HN 0.381 nan 8.290 nan 0.000 0.547 327 V N 0.547 120.478 119.914 0.029 0.000 2.295 327 V HA -0.153 3.966 4.120 -0.002 0.000 0.246 327 V C 2.756 178.886 176.094 0.060 0.000 1.049 327 V CA 2.074 64.408 62.300 0.056 0.000 1.024 327 V CB -0.153 31.717 31.823 0.079 0.000 0.648 327 V HN 0.390 nan 8.190 nan 0.000 0.447 328 E N 0.140 120.362 120.200 0.037 0.000 2.051 328 E HA -0.234 4.115 4.350 -0.002 0.000 0.192 328 E C 2.261 178.881 176.600 0.034 0.000 0.991 328 E CA 1.433 57.850 56.400 0.028 0.000 0.799 328 E CB -0.122 29.581 29.700 0.005 0.000 0.748 328 E HN 0.624 nan 8.360 nan 0.000 0.449 329 E N -0.006 120.210 120.200 0.026 0.000 2.058 329 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 329 E C 1.968 178.591 176.600 0.039 0.000 0.997 329 E CA 1.108 57.523 56.400 0.026 0.000 0.801 329 E CB -0.126 29.584 29.700 0.017 0.000 0.746 329 E HN 0.292 nan 8.360 nan 0.000 0.450 330 A N 1.046 123.893 122.820 0.045 0.000 1.902 330 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 330 A C 2.259 179.891 177.584 0.081 0.000 1.181 330 A CA 1.089 53.161 52.037 0.059 0.000 0.623 330 A CB -0.647 18.383 19.000 0.049 0.000 0.818 330 A HN 0.157 nan 8.150 nan 0.000 0.443 331 L N -0.884 120.394 121.223 0.092 0.000 2.046 331 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 331 L C 2.879 179.801 176.870 0.088 0.000 1.077 331 L CA 1.409 56.319 54.840 0.117 0.000 0.747 331 L CB -0.523 41.631 42.059 0.158 0.000 0.896 331 L HN 0.318 nan 8.230 nan 0.000 0.432 332 S N 0.045 115.783 115.700 0.064 0.000 2.359 332 S HA -0.146 4.323 4.470 -0.002 0.000 0.224 332 S C 1.941 176.567 174.600 0.043 0.000 1.035 332 S CA 1.405 59.633 58.200 0.046 0.000 1.018 332 S CB -0.551 62.668 63.200 0.032 0.000 0.876 332 S HN 0.608 nan 8.310 nan 0.000 0.448 333 G N 0.284 109.111 108.800 0.045 0.000 2.559 333 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.216 333 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.216 333 G C 1.037 175.964 174.900 0.044 0.000 1.126 333 G CA 0.284 45.409 45.100 0.041 0.000 0.778 333 G HN 0.404 nan 8.290 nan 0.000 0.543 334 L N 0.171 121.427 121.223 0.055 0.000 2.592 334 L HA 0.385 4.724 4.340 -0.002 0.000 0.227 334 L C 1.893 178.777 176.870 0.024 0.000 1.127 334 L CA 0.778 55.647 54.840 0.048 0.000 0.884 334 L CB -0.062 42.049 42.059 0.086 0.000 1.065 334 L HN 0.335 nan 8.230 nan 0.000 0.457 335 G N -1.032 107.785 108.800 0.029 0.000 2.175 335 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.244 335 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.244 335 G C 0.259 175.181 174.900 0.037 0.000 0.982 335 G CA 0.177 45.291 45.100 0.023 0.000 0.641 335 G HN 0.138 nan 8.290 nan 0.000 0.527 336 V N 1.720 121.668 119.914 0.056 0.000 2.488 336 V HA 0.373 4.492 4.120 -0.002 0.000 0.277 336 V C 0.547 176.680 176.094 0.065 0.000 1.046 336 V CA -0.401 61.946 62.300 0.079 0.000 0.986 336 V CB 1.643 33.544 31.823 0.130 0.000 0.989 336 V HN 0.367 nan 8.190 nan 0.000 0.475 337 D N 4.108 124.543 120.400 0.059 0.000 2.338 337 D HA 0.049 4.688 4.640 -0.002 0.000 0.255 337 D C 1.107 177.431 176.300 0.040 0.000 1.237 337 D CA 0.018 54.043 54.000 0.042 0.000 0.883 337 D CB 1.409 42.230 40.800 0.035 0.000 1.087 337 D HN 0.739 nan 8.370 nan 0.000 0.485 338 T N 0.947 115.513 114.554 0.021 0.000 3.186 338 T HA 0.346 4.695 4.350 -0.002 0.000 0.257 338 T C 1.596 176.281 174.700 -0.026 0.000 1.029 338 T CA 0.124 62.219 62.100 -0.008 0.000 0.916 338 T CB 0.387 69.248 68.868 -0.011 0.000 1.041 338 T HN 0.260 nan 8.240 nan 0.000 0.562 339 A N 1.703 124.516 122.820 -0.011 0.000 1.940 339 A HA 0.211 4.530 4.320 -0.002 0.000 0.219 339 A C 2.421 179.990 177.584 -0.025 0.000 1.176 339 A CA 1.464 53.492 52.037 -0.014 0.000 0.631 339 A CB -1.226 17.772 19.000 -0.004 0.000 0.814 339 A HN 0.633 nan 8.150 nan 0.000 0.446 340 G N -1.619 107.163 108.800 -0.029 0.000 2.939 340 G HA2 0.339 4.298 3.960 -0.002 0.000 0.210 340 G HA3 0.339 4.298 3.960 -0.002 0.000 0.210 340 G C 0.457 175.314 174.900 -0.072 0.000 1.160 340 G CA -0.308 44.771 45.100 -0.036 0.000 0.770 340 G HN 0.372 nan 8.290 nan 0.000 0.543 341 L N 1.873 123.031 121.223 -0.110 0.000 2.319 341 L HA 0.379 4.718 4.340 -0.002 0.000 0.280 341 L C -0.679 176.114 176.870 -0.128 0.000 1.099 341 L CA -0.326 54.404 54.840 -0.184 0.000 0.828 341 L CB 1.724 43.625 42.059 -0.263 0.000 1.150 341 L HN -0.172 nan 8.230 nan 0.000 0.442 342 V N 6.338 126.179 119.914 -0.122 0.000 2.407 342 V HA 0.364 4.483 4.120 -0.002 0.000 0.291 342 V C -0.067 175.977 176.094 -0.083 0.000 1.018 342 V CA -0.482 61.768 62.300 -0.082 0.000 0.842 342 V CB 1.840 33.630 31.823 -0.056 0.000 0.996 342 V HN 0.525 nan 8.190 nan 0.000 0.426 343 L N 4.295 125.477 121.223 -0.068 0.000 2.276 343 L HA 0.519 4.858 4.340 -0.002 0.000 0.286 343 L C 0.704 177.549 176.870 -0.042 0.000 1.024 343 L CA -0.228 54.584 54.840 -0.046 0.000 0.826 343 L CB 1.289 43.330 42.059 -0.029 0.000 1.211 343 L HN 0.590 nan 8.230 nan 0.000 0.422 344 N N 1.071 119.744 118.700 -0.045 0.000 2.227 344 N HA 0.026 4.765 4.740 -0.002 0.000 0.196 344 N C -0.682 174.734 175.510 -0.157 0.000 1.142 344 N CA 0.113 53.102 53.050 -0.101 0.000 0.887 344 N CB 0.695 39.122 38.487 -0.100 0.000 1.022 344 N HN 0.815 nan 8.380 nan 0.000 0.500 345 D N -3.743 116.634 120.400 -0.038 0.000 2.738 345 D HA 0.261 4.900 4.640 -0.002 0.000 0.308 345 D C 0.618 177.022 176.300 0.174 0.000 1.311 345 D CA -0.480 53.530 54.000 0.016 0.000 0.799 345 D CB 0.279 41.078 40.800 -0.003 0.000 1.332 345 D HN -0.118 nan 8.370 nan 0.000 0.441 346 G N -1.069 107.901 108.800 0.284 0.000 2.656 346 G HA2 0.041 4.000 3.960 -0.002 0.000 0.211 346 G HA3 0.041 4.000 3.960 -0.002 0.000 0.211 346 G C 1.152 176.242 174.900 0.317 0.000 1.137 346 G CA 0.790 46.064 45.100 0.291 0.000 0.802 346 G HN 0.638 nan 8.290 nan 0.000 0.527 347 S N -0.420 115.485 115.700 0.341 0.000 2.461 347 S HA 0.311 4.780 4.470 -0.002 0.000 0.228 347 S C 2.065 176.794 174.600 0.216 0.000 1.005 347 S CA 1.229 59.614 58.200 0.309 0.000 0.942 347 S CB -0.129 63.260 63.200 0.315 0.000 0.776 347 S HN 1.469 nan 8.310 nan 0.000 0.514 348 G N 1.190 110.112 108.800 0.204 0.000 2.199 348 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.254 348 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.254 348 G C 0.601 175.566 174.900 0.109 0.000 0.982 348 G CA 0.373 45.560 45.100 0.144 0.000 0.632 348 G HN 0.507 nan 8.290 nan 0.000 0.529 349 L N 0.964 122.244 121.223 0.095 0.000 2.043 349 L HA 0.026 4.365 4.340 -0.002 0.000 0.212 349 L C 1.979 178.887 176.870 0.064 0.000 1.075 349 L CA 1.745 56.553 54.840 -0.054 0.000 0.752 349 L CB -0.363 41.418 42.059 -0.462 0.000 0.891 349 L HN 0.454 nan 8.230 nan 0.000 0.432 350 S N -0.360 115.504 115.700 0.274 0.000 2.549 350 S HA 0.038 4.507 4.470 -0.002 0.000 0.283 350 S C 1.124 175.817 174.600 0.154 0.000 1.320 350 S CA -0.377 57.994 58.200 0.285 0.000 1.058 350 S CB 0.667 64.002 63.200 0.224 0.000 0.882 350 S HN 0.263 nan 8.310 nan 0.000 0.498 351 R N 3.256 123.845 120.500 0.148 0.000 2.313 351 R HA 0.063 4.402 4.340 -0.002 0.000 0.199 351 R C 1.860 178.198 176.300 0.063 0.000 0.958 351 R CA 0.577 56.749 56.100 0.120 0.000 1.047 351 R CB -0.256 30.156 30.300 0.186 0.000 0.955 351 R HN 0.760 nan 8.270 nan 0.000 0.481 352 G N 0.473 109.294 108.800 0.035 0.000 2.777 352 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.211 352 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.211 352 G C 0.473 175.371 174.900 -0.004 0.000 1.149 352 G CA -0.240 44.857 45.100 -0.005 0.000 0.785 352 G HN 0.156 nan 8.290 nan 0.000 0.536 353 N N 0.381 119.091 118.700 0.017 0.000 2.525 353 N HA 0.457 5.196 4.740 -0.002 0.000 0.271 353 N C -0.731 174.778 175.510 -0.002 0.000 1.194 353 N CA 0.243 53.296 53.050 0.006 0.000 0.964 353 N CB 1.775 40.283 38.487 0.035 0.000 1.126 353 N HN 0.021 nan 8.380 nan 0.000 0.452 354 L N 0.930 122.135 121.223 -0.031 0.000 2.445 354 L HA 0.543 4.882 4.340 -0.002 0.000 0.262 354 L C -0.213 176.615 176.870 -0.070 0.000 0.974 354 L CA -0.926 53.896 54.840 -0.031 0.000 0.822 354 L CB 2.107 44.149 42.059 -0.027 0.000 1.339 354 L HN 0.275 nan 8.230 nan 0.000 0.409 355 V N -1.090 118.801 119.914 -0.038 0.000 3.156 355 V HA 0.919 5.038 4.120 -0.002 0.000 0.311 355 V C -0.406 175.692 176.094 0.007 0.000 1.208 355 V CA -0.526 61.745 62.300 -0.049 0.000 1.063 355 V CB 2.061 33.902 31.823 0.029 0.000 1.098 355 V HN 0.829 nan 8.190 nan 0.000 0.452 356 T N -2.711 111.864 114.554 0.036 0.000 2.906 356 T HA 0.785 5.134 4.350 -0.002 0.000 0.295 356 T C 0.903 175.657 174.700 0.090 0.000 1.075 356 T CA -0.047 62.085 62.100 0.054 0.000 1.005 356 T CB 1.661 70.553 68.868 0.039 0.000 1.136 356 T HN 1.694 nan 8.240 nan 0.000 0.498 357 A N 1.158 124.025 122.820 0.077 0.000 1.908 357 A HA -0.076 4.243 4.320 -0.002 0.000 0.218 357 A C 1.929 179.562 177.584 0.082 0.000 1.181 357 A CA 1.900 53.985 52.037 0.079 0.000 0.627 357 A CB -1.109 17.937 19.000 0.077 0.000 0.818 357 A HN 0.912 nan 8.150 nan 0.000 0.445 358 D N -0.467 119.977 120.400 0.075 0.000 2.123 358 D HA -0.108 4.531 4.640 -0.002 0.000 0.196 358 D C 2.048 178.405 176.300 0.096 0.000 0.992 358 D CA 1.910 55.953 54.000 0.072 0.000 0.833 358 D CB -0.661 40.172 40.800 0.055 0.000 0.954 358 D HN 0.447 nan 8.370 nan 0.000 0.455 359 T N 0.644 115.271 114.554 0.121 0.000 2.746 359 T HA -0.096 4.253 4.350 -0.002 0.000 0.267 359 T C 2.302 177.184 174.700 0.303 0.000 1.039 359 T CA 0.837 63.050 62.100 0.189 0.000 1.142 359 T CB -0.361 68.598 68.868 0.152 0.000 0.866 359 T HN -0.014 nan 8.240 nan 0.000 0.444 360 V N 1.286 121.372 119.914 0.287 0.000 2.261 360 V HA -0.152 3.967 4.120 -0.002 0.000 0.246 360 V C 2.706 178.812 176.094 0.019 0.000 1.047 360 V CA 1.404 63.803 62.300 0.166 0.000 1.015 360 V CB -0.823 31.054 31.823 0.090 0.000 0.642 360 V HN 0.312 nan 8.190 nan 0.000 0.446 361 V N 0.371 120.301 119.914 0.028 0.000 2.343 361 V HA -0.266 3.853 4.120 -0.002 0.000 0.247 361 V C 2.411 178.531 176.094 0.042 0.000 1.051 361 V CA 2.213 64.517 62.300 0.007 0.000 1.036 361 V CB -0.737 31.105 31.823 0.032 0.000 0.654 361 V HN 0.609 nan 8.190 nan 0.000 0.451 362 D N 0.281 120.724 120.400 0.071 0.000 2.127 362 D HA -0.219 4.420 4.640 -0.002 0.000 0.190 362 D C 2.046 178.391 176.300 0.074 0.000 1.000 362 D CA 1.924 55.971 54.000 0.079 0.000 0.839 362 D CB -0.298 40.560 40.800 0.097 0.000 0.955 362 D HN 0.287 nan 8.370 nan 0.000 0.446 363 L N 0.574 121.848 121.223 0.086 0.000 1.990 363 L HA -0.157 4.182 4.340 -0.002 0.000 0.213 363 L C 2.470 179.355 176.870 0.026 0.000 1.072 363 L CA 1.642 56.497 54.840 0.026 0.000 0.755 363 L CB -0.920 41.068 42.059 -0.118 0.000 0.889 363 L HN 0.191 nan 8.230 nan 0.000 0.432 364 L N -0.530 120.721 121.223 0.047 0.000 2.081 364 L HA -0.208 4.131 4.340 -0.002 0.000 0.212 364 L C 2.491 179.519 176.870 0.263 0.000 1.080 364 L CA 1.466 56.390 54.840 0.141 0.000 0.754 364 L CB -1.433 40.525 42.059 -0.169 0.000 0.893 364 L HN 0.528 nan 8.230 nan 0.000 0.433 365 G N -1.565 107.322 108.800 0.145 0.000 2.394 365 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.215 365 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.215 365 G C 1.513 176.444 174.900 0.052 0.000 1.165 365 G CA 0.023 45.200 45.100 0.130 0.000 0.784 365 G HN 0.222 nan 8.290 nan 0.000 0.535 366 Q N 0.525 120.331 119.800 0.011 0.000 2.224 366 Q HA 0.097 4.436 4.340 -0.002 0.000 0.203 366 Q C 2.810 178.706 176.000 -0.174 0.000 0.970 366 Q CA 1.098 56.867 55.803 -0.056 0.000 0.865 366 Q CB -0.415 28.308 28.738 -0.026 0.000 0.922 366 Q HN 0.459 nan 8.270 nan 0.000 0.445 367 A N 0.435 123.128 122.820 -0.213 0.000 1.898 367 A HA -0.030 4.289 4.320 -0.002 0.000 0.216 367 A C 2.318 179.607 177.584 -0.492 0.000 1.181 367 A CA 1.524 53.246 52.037 -0.524 0.000 0.620 367 A CB -1.023 17.478 19.000 -0.830 0.000 0.819 367 A HN 0.423 nan 8.150 nan 0.000 0.442 368 G N -0.606 108.089 108.800 -0.175 0.000 2.499 368 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.221 368 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.221 368 G C 1.613 176.394 174.900 -0.198 0.000 1.109 368 G CA 1.360 46.375 45.100 -0.141 0.000 0.749 368 G HN 0.504 nan 8.290 nan 0.000 0.568 369 S N 0.362 115.922 115.700 -0.233 0.000 2.414 369 S HA 0.379 4.848 4.470 -0.002 0.000 0.227 369 S C 1.591 176.008 174.600 -0.305 0.000 1.022 369 S CA 0.284 58.357 58.200 -0.212 0.000 0.958 369 S CB 0.028 63.132 63.200 -0.160 0.000 0.797 369 S HN 0.653 nan 8.310 nan 0.000 0.493 370 A N 2.156 124.657 122.820 -0.531 0.000 2.366 370 A HA 0.411 4.730 4.320 -0.002 0.000 0.249 370 A C -1.272 175.922 177.584 -0.650 0.000 1.084 370 A CA -1.170 50.413 52.037 -0.758 0.000 0.794 370 A CB -0.277 17.775 19.000 -1.580 0.000 1.034 370 A HN 0.108 nan 8.150 nan 0.000 0.491 371 P HA -0.118 nan 4.420 nan 0.000 0.216 371 P C 0.960 178.174 177.300 -0.143 0.000 1.150 371 P CA 1.458 64.418 63.100 -0.233 0.000 0.837 371 P CB -0.044 31.611 31.700 -0.075 0.000 0.786 372 W N -1.762 119.543 121.300 0.008 0.000 3.405 372 W HA 0.586 5.245 4.660 -0.002 0.000 0.300 372 W C 1.139 177.708 176.519 0.084 0.000 1.286 372 W CA 0.083 57.457 57.345 0.048 0.000 1.762 372 W CB -1.326 28.169 29.460 0.058 0.000 1.087 372 W HN -0.116 nan 8.180 nan 0.000 0.703 373 A N 1.869 124.674 122.820 -0.023 0.000 1.917 373 A HA -0.283 4.036 4.320 -0.002 0.000 0.219 373 A C 2.242 179.989 177.584 0.270 0.000 1.182 373 A CA 1.807 53.882 52.037 0.063 0.000 0.633 373 A CB -0.633 18.290 19.000 -0.129 0.000 0.819 373 A HN 0.224 nan 8.150 nan 0.000 0.448 374 Q N -1.191 118.712 119.800 0.171 0.000 2.079 374 Q HA -0.128 4.211 4.340 -0.002 0.000 0.200 374 Q C 2.259 178.379 176.000 0.199 0.000 0.974 374 Q CA 1.959 57.849 55.803 0.144 0.000 0.840 374 Q CB -1.096 27.695 28.738 0.090 0.000 0.898 374 Q HN 0.688 nan 8.270 nan 0.000 0.430 375 T N 0.777 115.489 114.554 0.264 0.000 2.857 375 T HA -0.111 4.238 4.350 -0.002 0.000 0.266 375 T C 1.329 176.212 174.700 0.306 0.000 1.048 375 T CA 1.062 63.314 62.100 0.253 0.000 1.139 375 T CB -0.253 68.760 68.868 0.241 0.000 0.874 375 T HN 0.541 nan 8.240 nan 0.000 0.455 376 W N 2.206 123.645 121.300 0.232 0.000 2.315 376 W HA -0.215 4.443 4.660 -0.002 0.000 0.323 376 W C 2.413 179.026 176.519 0.156 0.000 1.233 376 W CA 2.360 59.841 57.345 0.227 0.000 1.267 376 W CB -1.224 28.502 29.460 0.443 0.000 1.160 376 W HN 0.449 nan 8.180 nan 0.000 0.474 377 S N 1.348 117.112 115.700 0.107 0.000 2.419 377 S HA -0.089 4.380 4.470 -0.002 0.000 0.233 377 S C 2.096 176.653 174.600 -0.072 0.000 1.016 377 S CA 1.645 59.779 58.200 -0.110 0.000 0.974 377 S CB -0.808 62.357 63.200 -0.057 0.000 0.786 377 S HN 0.358 nan 8.310 nan 0.000 0.492 378 A N 1.874 124.700 122.820 0.008 0.000 2.015 378 A HA 0.016 4.335 4.320 -0.002 0.000 0.219 378 A C 2.487 180.057 177.584 -0.023 0.000 1.163 378 A CA 1.722 53.765 52.037 0.011 0.000 0.646 378 A CB -1.075 17.961 19.000 0.060 0.000 0.806 378 A HN 0.887 nan 8.150 nan 0.000 0.448 379 S N -0.330 115.340 115.700 -0.050 0.000 2.436 379 S HA 0.148 4.617 4.470 -0.002 0.000 0.228 379 S C 0.735 175.220 174.600 -0.191 0.000 1.014 379 S CA -0.137 58.013 58.200 -0.083 0.000 0.950 379 S CB -0.703 62.464 63.200 -0.055 0.000 0.784 379 S HN 0.391 nan 8.310 nan 0.000 0.504 380 L N 2.701 123.779 121.223 -0.241 0.000 2.499 380 L HA 0.253 4.592 4.340 -0.002 0.000 0.273 380 L C -2.371 174.379 176.870 -0.201 0.000 1.195 380 L CA -1.775 52.906 54.840 -0.266 0.000 0.882 380 L CB -0.391 41.509 42.059 -0.266 0.000 1.133 380 L HN 0.036 nan 8.230 nan 0.000 0.483 381 P HA -0.052 nan 4.420 nan 0.000 0.263 381 P C -0.712 176.515 177.300 -0.121 0.000 1.175 381 P CA 0.121 63.106 63.100 -0.192 0.000 0.761 381 P CB 0.460 32.044 31.700 -0.193 0.000 0.794 382 V N 3.184 123.039 119.914 -0.098 0.000 2.370 382 V HA 0.453 4.572 4.120 -0.002 0.000 0.283 382 V C 0.598 176.660 176.094 -0.052 0.000 1.023 382 V CA -1.063 61.201 62.300 -0.059 0.000 0.857 382 V CB 0.974 32.772 31.823 -0.042 0.000 0.985 382 V HN 0.655 nan 8.190 nan 0.000 0.443 383 A N 3.907 126.702 122.820 -0.041 0.000 2.566 383 A HA 0.469 4.788 4.320 -0.002 0.000 0.245 383 A C 1.540 179.101 177.584 -0.038 0.000 1.056 383 A CA 0.746 52.759 52.037 -0.039 0.000 0.757 383 A CB -0.606 18.372 19.000 -0.037 0.000 0.979 383 A HN 2.276 nan 8.150 nan 0.000 0.508 384 G N 1.618 110.399 108.800 -0.033 0.000 2.153 384 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.252 384 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.252 384 G C -0.039 174.851 174.900 -0.016 0.000 0.994 384 G CA 0.427 45.512 45.100 -0.025 0.000 0.698 384 G HN 0.818 nan 8.290 nan 0.000 0.521 385 E N 0.535 120.725 120.200 -0.018 0.000 2.167 385 E HA 0.410 4.759 4.350 -0.002 0.000 0.284 385 E C 1.448 178.052 176.600 0.008 0.000 1.016 385 E CA 0.327 56.724 56.400 -0.005 0.000 0.817 385 E CB 1.326 31.022 29.700 -0.008 0.000 1.080 385 E HN 0.401 nan 8.360 nan 0.000 0.397 386 S N 1.741 117.452 115.700 0.019 0.000 2.481 386 S HA -0.109 4.360 4.470 -0.002 0.000 0.231 386 S C 0.686 175.320 174.600 0.057 0.000 0.996 386 S CA 0.118 58.337 58.200 0.032 0.000 0.942 386 S CB 0.143 63.359 63.200 0.027 0.000 0.768 386 S HN 0.355 nan 8.310 nan 0.000 0.520 387 D N 3.180 123.620 120.400 0.066 0.000 2.358 387 D HA 0.231 4.870 4.640 -0.002 0.000 0.258 387 D C -1.697 174.687 176.300 0.140 0.000 1.223 387 D CA -2.185 51.882 54.000 0.112 0.000 0.886 387 D CB 1.441 42.303 40.800 0.105 0.000 1.120 387 D HN 0.050 nan 8.370 nan 0.000 0.482 388 P HA -0.124 nan 4.420 nan 0.000 0.216 388 P C 0.952 178.315 177.300 0.105 0.000 1.150 388 P CA 0.971 64.221 63.100 0.250 0.000 0.843 388 P CB -0.000 31.961 31.700 0.435 0.000 0.787 389 F N -1.904 118.131 119.950 0.141 0.000 2.802 389 F HA -0.034 4.493 4.527 -0.001 0.000 0.300 389 F C 1.902 177.671 175.800 -0.052 0.000 1.168 389 F CA 0.600 58.630 58.000 0.051 0.000 1.433 389 F CB -0.412 38.679 39.000 0.152 0.000 1.115 389 F HN -0.222 nan 8.300 nan 0.000 0.582 390 V N -1.674 118.282 119.914 0.070 0.000 2.743 390 V HA 0.153 4.272 4.120 -0.002 0.000 0.237 390 V C 2.433 178.476 176.094 -0.086 0.000 1.113 390 V CA 1.337 63.636 62.300 -0.002 0.000 1.141 390 V CB -0.896 30.945 31.823 0.029 0.000 0.873 390 V HN 0.237 nan 8.190 nan 0.000 0.486 391 G N -0.638 108.116 108.800 -0.077 0.000 2.494 391 G HA2 0.331 4.290 3.960 -0.002 0.000 0.216 391 G HA3 0.331 4.290 3.960 -0.002 0.000 0.216 391 G C 1.178 175.972 174.900 -0.177 0.000 1.140 391 G CA 1.061 46.104 45.100 -0.096 0.000 0.801 391 G HN 0.850 nan 8.290 nan 0.000 0.536 392 G N 0.244 108.861 108.800 -0.305 0.000 2.634 392 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.309 392 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.309 392 G C 1.459 176.228 174.900 -0.220 0.000 1.265 392 G CA 2.234 47.025 45.100 -0.514 0.000 0.998 392 G HN 1.198 nan 8.290 nan 0.000 0.551 393 T N -0.422 114.017 114.554 -0.191 0.000 3.163 393 T HA 0.343 4.692 4.350 -0.002 0.000 0.260 393 T C 2.013 176.666 174.700 -0.079 0.000 1.156 393 T CA 1.480 63.526 62.100 -0.090 0.000 1.072 393 T CB 0.001 68.816 68.868 -0.089 0.000 0.937 393 T HN 0.496 nan 8.240 nan 0.000 0.528 394 L N 0.066 121.232 121.223 -0.095 0.000 2.700 394 L HA 0.464 4.803 4.340 -0.002 0.000 0.234 394 L C 2.653 179.493 176.870 -0.050 0.000 1.156 394 L CA 0.062 54.863 54.840 -0.066 0.000 0.946 394 L CB -0.352 41.667 42.059 -0.067 0.000 1.216 394 L HN 0.315 nan 8.230 nan 0.000 0.493 395 A N 0.352 123.146 122.820 -0.043 0.000 1.933 395 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 395 A C 1.728 179.304 177.584 -0.012 0.000 1.175 395 A CA 1.464 53.488 52.037 -0.021 0.000 0.628 395 A CB -0.245 18.757 19.000 0.003 0.000 0.814 395 A HN 0.443 nan 8.150 nan 0.000 0.444 396 N N -0.437 118.255 118.700 -0.013 0.000 2.273 396 N HA 0.134 4.873 4.740 -0.002 0.000 0.231 396 N C -0.514 174.984 175.510 -0.020 0.000 1.134 396 N CA 0.035 53.077 53.050 -0.012 0.000 0.856 396 N CB 0.447 38.930 38.487 -0.007 0.000 1.068 396 N HN 0.429 nan 8.380 nan 0.000 0.510 397 R N -0.006 120.479 120.500 -0.025 0.000 2.637 397 R HA 0.422 4.761 4.340 -0.002 0.000 0.291 397 R C 0.636 176.917 176.300 -0.031 0.000 0.963 397 R CA -0.466 55.617 56.100 -0.030 0.000 0.901 397 R CB 1.594 31.875 30.300 -0.033 0.000 1.160 397 R HN 0.031 nan 8.270 nan 0.000 0.457 398 M N 0.029 119.609 119.600 -0.034 0.000 2.943 398 M HA -0.258 4.221 4.480 -0.002 0.000 0.198 398 M C -0.330 175.951 176.300 -0.032 0.000 0.606 398 M CA 1.016 56.294 55.300 -0.037 0.000 0.744 398 M CB -1.050 31.523 32.600 -0.045 0.000 2.671 398 M HN 0.562 nan 8.290 nan 0.000 0.342 399 R N 0.929 121.414 120.500 -0.025 0.000 2.623 399 R HA 0.265 4.604 4.340 -0.002 0.000 0.271 399 R C 1.387 177.676 176.300 -0.017 0.000 1.043 399 R CA 1.202 57.290 56.100 -0.019 0.000 1.083 399 R CB 0.216 30.508 30.300 -0.013 0.000 0.974 399 R HN 0.549 nan 8.270 nan 0.000 0.436 400 G N 1.734 110.525 108.800 -0.014 0.000 2.203 400 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.263 400 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.263 400 G C 0.256 175.148 174.900 -0.013 0.000 1.012 400 G CA 0.951 46.044 45.100 -0.011 0.000 0.749 400 G HN 0.769 nan 8.290 nan 0.000 0.512 401 T N -4.618 109.925 114.554 -0.019 0.000 2.927 401 T HA 0.816 5.165 4.350 -0.002 0.000 0.286 401 T C 1.575 176.261 174.700 -0.023 0.000 1.040 401 T CA 0.307 62.394 62.100 -0.022 0.000 1.010 401 T CB 1.659 70.507 68.868 -0.033 0.000 1.177 401 T HN 1.292 nan 8.240 nan 0.000 0.546 402 A N 0.285 123.094 122.820 -0.017 0.000 2.019 402 A HA 0.230 4.549 4.320 -0.002 0.000 0.219 402 A C 2.467 180.000 177.584 -0.084 0.000 1.164 402 A CA 1.776 53.807 52.037 -0.010 0.000 0.644 402 A CB -1.486 17.532 19.000 0.030 0.000 0.805 402 A HN 1.284 nan 8.150 nan 0.000 0.449 403 A N -0.510 122.258 122.820 -0.088 0.000 2.119 403 A HA -0.006 4.313 4.320 -0.002 0.000 0.217 403 A C 1.124 178.646 177.584 -0.104 0.000 1.153 403 A CA 0.562 52.529 52.037 -0.115 0.000 0.692 403 A CB -0.329 18.616 19.000 -0.092 0.000 0.799 403 A HN 0.598 nan 8.150 nan 0.000 0.458 404 E N -0.158 119.997 120.200 -0.075 0.000 2.406 404 E HA 0.294 4.643 4.350 -0.002 0.000 0.258 404 E C 1.095 177.658 176.600 -0.062 0.000 1.043 404 E CA 0.571 56.938 56.400 -0.055 0.000 0.929 404 E CB -0.153 29.527 29.700 -0.032 0.000 0.969 404 E HN 0.640 nan 8.360 nan 0.000 0.462 405 G N 2.686 111.453 108.800 -0.054 0.000 2.176 405 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.253 405 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.253 405 G C 0.590 175.450 174.900 -0.067 0.000 0.979 405 G CA 0.278 45.352 45.100 -0.044 0.000 0.641 405 G HN 0.485 nan 8.290 nan 0.000 0.530 406 V N -0.323 119.522 119.914 -0.115 0.000 2.950 406 V HA 0.236 4.355 4.120 -0.002 0.000 0.231 406 V C 1.757 177.810 176.094 -0.068 0.000 1.205 406 V CA 0.801 63.003 62.300 -0.163 0.000 1.239 406 V CB 0.343 31.887 31.823 -0.465 0.000 1.050 406 V HN 0.219 nan 8.190 nan 0.000 0.498 407 V N 2.636 122.518 119.914 -0.053 0.000 2.493 407 V HA 0.023 4.142 4.120 -0.002 0.000 0.292 407 V C 0.029 176.153 176.094 0.049 0.000 1.016 407 V CA 0.551 62.873 62.300 0.038 0.000 1.097 407 V CB -0.118 31.723 31.823 0.029 0.000 0.947 407 V HN 0.544 nan 8.190 nan 0.000 0.479 408 E N 4.118 124.378 120.200 0.100 0.000 2.102 408 E HA 0.712 5.061 4.350 -0.002 0.000 0.263 408 E C -0.311 176.295 176.600 0.010 0.000 0.894 408 E CA -0.268 56.161 56.400 0.049 0.000 0.746 408 E CB 1.726 31.481 29.700 0.092 0.000 1.129 408 E HN 0.821 nan 8.360 nan 0.000 0.416 409 A N 2.981 125.758 122.820 -0.071 0.000 2.574 409 A HA 0.548 4.867 4.320 -0.002 0.000 0.297 409 A C -1.240 176.226 177.584 -0.196 0.000 1.062 409 A CA -0.908 51.035 52.037 -0.157 0.000 0.686 409 A CB 1.531 20.504 19.000 -0.045 0.000 1.285 409 A HN 0.359 nan 8.150 nan 0.000 0.403 410 K N 1.163 121.405 120.400 -0.262 0.000 2.234 410 K HA 0.593 4.912 4.320 -0.002 0.000 0.282 410 K C 0.455 176.955 176.600 -0.166 0.000 1.039 410 K CA 0.399 56.545 56.287 -0.234 0.000 0.928 410 K CB 0.718 33.055 32.500 -0.271 0.000 1.039 410 K HN 0.872 nan 8.250 nan 0.000 0.470 411 T N -0.017 114.457 114.554 -0.133 0.000 2.912 411 T HA 0.820 5.169 4.350 -0.002 0.000 0.280 411 T C 0.200 174.855 174.700 -0.075 0.000 0.989 411 T CA -0.730 61.315 62.100 -0.090 0.000 0.995 411 T CB 1.598 70.418 68.868 -0.080 0.000 1.077 411 T HN 0.563 nan 8.240 nan 0.000 0.531 412 G N -0.130 108.640 108.800 -0.050 0.000 2.752 412 G HA2 0.554 4.513 3.960 -0.002 0.000 0.298 412 G HA3 0.554 4.513 3.960 -0.002 0.000 0.298 412 G C -1.287 173.598 174.900 -0.025 0.000 1.434 412 G CA -0.761 44.319 45.100 -0.033 0.000 1.004 412 G HN 0.863 nan 8.290 nan 0.000 0.560 413 T N 1.723 116.255 114.554 -0.038 0.000 3.193 413 T HA 0.690 5.039 4.350 -0.002 0.000 0.332 413 T C -0.361 174.301 174.700 -0.062 0.000 1.208 413 T CA -0.464 61.614 62.100 -0.035 0.000 1.080 413 T CB 1.622 70.458 68.868 -0.053 0.000 1.180 413 T HN 0.626 nan 8.240 nan 0.000 0.469 414 M N 0.846 120.425 119.600 -0.036 0.000 2.813 414 M HA 0.471 4.950 4.480 -0.002 0.000 0.270 414 M C -0.228 176.040 176.300 -0.053 0.000 1.267 414 M CA -0.913 54.349 55.300 -0.063 0.000 0.822 414 M CB 2.406 34.983 32.600 -0.038 0.000 1.671 414 M HN 0.573 nan 8.290 nan 0.000 0.468 415 S N 0.393 116.040 115.700 -0.088 0.000 2.629 415 S HA 0.289 4.757 4.470 -0.002 0.000 0.302 415 S C 1.000 175.510 174.600 -0.150 0.000 1.244 415 S CA 1.677 59.811 58.200 -0.110 0.000 1.098 415 S CB -0.592 62.527 63.200 -0.135 0.000 0.858 415 S HN 1.042 nan 8.310 nan 0.000 0.502 416 G N 2.958 111.600 108.800 -0.264 0.000 2.155 416 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.257 416 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.257 416 G C -0.029 174.617 174.900 -0.424 0.000 0.983 416 G CA 0.222 44.989 45.100 -0.557 0.000 0.676 416 G HN 1.114 nan 8.290 nan 0.000 0.528 417 V N -0.324 119.541 119.914 -0.082 0.000 2.686 417 V HA 0.841 4.960 4.120 -0.002 0.000 0.306 417 V C -0.168 176.043 176.094 0.194 0.000 1.065 417 V CA -0.061 62.306 62.300 0.111 0.000 0.894 417 V CB 2.062 33.908 31.823 0.039 0.000 1.004 417 V HN 0.807 nan 8.190 nan 0.000 0.424 418 S N 2.713 118.532 115.700 0.198 0.000 2.543 418 S HA 0.903 5.372 4.470 -0.002 0.000 0.271 418 S C -0.993 173.629 174.600 0.038 0.000 1.148 418 S CA 0.263 58.506 58.200 0.072 0.000 0.914 418 S CB 1.700 64.891 63.200 -0.015 0.000 1.096 418 S HN 1.533 nan 8.310 nan 0.000 0.471 419 A N 2.930 125.757 122.820 0.012 0.000 2.515 419 A HA 0.888 5.207 4.320 -0.002 0.000 0.298 419 A C -1.797 175.778 177.584 -0.015 0.000 1.059 419 A CA -0.607 51.434 52.037 0.006 0.000 0.698 419 A CB 1.739 20.746 19.000 0.011 0.000 1.289 419 A HN 1.169 nan 8.150 nan 0.000 0.404 420 L N 1.150 122.368 121.223 -0.008 0.000 2.528 420 L HA 0.762 5.101 4.340 -0.002 0.000 0.267 420 L C -0.976 175.803 176.870 -0.153 0.000 0.961 420 L CA 0.387 55.217 54.840 -0.017 0.000 0.866 420 L CB 2.056 44.174 42.059 0.100 0.000 1.248 420 L HN 0.609 nan 8.230 nan 0.000 0.404 421 S N 2.765 118.233 115.700 -0.386 0.000 2.548 421 S HA 1.008 5.477 4.470 -0.002 0.000 0.276 421 S C -0.209 173.872 174.600 -0.865 0.000 1.129 421 S CA -0.051 57.702 58.200 -0.745 0.000 0.931 421 S CB 1.835 64.783 63.200 -0.419 0.000 1.068 421 S HN 1.171 nan 8.310 nan 0.000 0.480 422 G N 1.440 109.472 108.800 -1.279 0.000 2.512 422 G HA2 0.388 4.347 3.960 -0.002 0.000 0.181 422 G HA3 0.388 4.347 3.960 -0.002 0.000 0.181 422 G C -2.467 172.008 174.900 -0.710 0.000 1.173 422 G CA -0.529 44.038 45.100 -0.889 0.000 0.988 422 G HN 0.483 nan 8.290 nan 0.000 0.485 423 Y N -0.792 119.518 120.300 0.016 0.000 2.446 423 Y HA 0.650 5.200 4.550 -0.001 0.000 0.345 423 Y C -0.055 175.978 175.900 0.221 0.000 0.984 423 Y CA -0.888 57.300 58.100 0.147 0.000 1.058 423 Y CB 2.752 41.258 38.460 0.077 0.000 1.220 423 Y HN 0.315 nan 8.280 nan 0.000 0.455 424 V N 4.549 124.690 119.914 0.378 0.000 2.327 424 V HA 0.354 4.473 4.120 -0.002 0.000 0.272 424 V C -2.577 173.643 176.094 0.210 0.000 1.019 424 V CA -1.798 60.637 62.300 0.224 0.000 0.814 424 V CB 0.959 32.866 31.823 0.139 0.000 1.040 424 V HN 0.518 nan 8.190 nan 0.000 0.440 425 P HA 0.661 nan 4.420 nan 0.000 0.288 425 P C -0.015 177.440 177.300 0.260 0.000 1.267 425 P CA 0.097 63.301 63.100 0.173 0.000 0.815 425 P CB 2.261 34.031 31.700 0.116 0.000 0.989 426 G N 2.102 111.011 108.800 0.182 0.000 2.601 426 G HA2 0.410 4.369 3.960 -0.002 0.000 0.291 426 G HA3 0.410 4.369 3.960 -0.002 0.000 0.291 426 G C -2.675 172.227 174.900 0.003 0.000 1.456 426 G CA -0.974 44.192 45.100 0.110 0.000 0.804 426 G HN 0.059 nan 8.290 nan 0.000 0.499 427 P HA -0.000 nan 4.420 nan 0.000 0.221 427 P C 1.095 178.357 177.300 -0.063 0.000 1.145 427 P CA 0.969 64.026 63.100 -0.071 0.000 0.795 427 P CB 0.457 32.092 31.700 -0.108 0.000 0.775 428 E N -0.799 119.354 120.200 -0.078 0.000 2.474 428 E HA 0.326 4.675 4.350 -0.002 0.000 0.195 428 E C 0.941 177.511 176.600 -0.050 0.000 1.039 428 E CA 0.209 56.547 56.400 -0.103 0.000 0.881 428 E CB 0.287 29.869 29.700 -0.196 0.000 0.970 428 E HN 0.155 nan 8.360 nan 0.000 0.486 429 G N 1.007 109.821 108.800 0.023 0.000 2.322 429 G HA2 -0.019 3.939 3.960 -0.002 0.000 0.289 429 G HA3 -0.019 3.939 3.960 -0.002 0.000 0.289 429 G C -1.496 173.477 174.900 0.121 0.000 1.687 429 G CA -0.970 44.182 45.100 0.086 0.000 0.944 429 G HN -0.021 nan 8.290 nan 0.000 0.718 430 E N 0.528 120.800 120.200 0.120 0.000 2.089 430 E HA 0.494 4.843 4.350 -0.002 0.000 0.284 430 E C -0.365 176.349 176.600 0.190 0.000 1.023 430 E CA -0.645 55.841 56.400 0.143 0.000 0.819 430 E CB 0.618 30.379 29.700 0.102 0.000 1.076 430 E HN 0.261 nan 8.360 nan 0.000 0.396 431 L N 3.027 124.390 121.223 0.232 0.000 2.322 431 L HA 0.587 4.926 4.340 -0.002 0.000 0.279 431 L C -0.181 176.885 176.870 0.326 0.000 1.036 431 L CA -0.521 54.469 54.840 0.251 0.000 0.807 431 L CB 1.574 43.767 42.059 0.222 0.000 1.226 431 L HN 0.545 nan 8.230 nan 0.000 0.433 432 A N 3.420 126.399 122.820 0.264 0.000 2.342 432 A HA 0.870 5.189 4.320 -0.002 0.000 0.323 432 A C -1.026 176.667 177.584 0.181 0.000 1.125 432 A CA -0.400 51.731 52.037 0.156 0.000 0.785 432 A CB 0.841 19.894 19.000 0.088 0.000 1.221 432 A HN 0.586 nan 8.150 nan 0.000 0.463 433 F N 0.308 120.215 119.950 -0.072 0.000 2.626 433 F HA 0.856 5.382 4.527 -0.002 0.000 0.311 433 F C -0.498 175.260 175.800 -0.070 0.000 1.088 433 F CA -0.785 57.186 58.000 -0.048 0.000 0.949 433 F CB 1.674 40.647 39.000 -0.045 0.000 1.322 433 F HN 0.498 nan 8.300 nan 0.000 0.461 434 S N 2.403 118.083 115.700 -0.033 0.000 2.571 434 S HA 0.773 5.242 4.470 -0.002 0.000 0.284 434 S C -1.439 173.222 174.600 0.102 0.000 1.128 434 S CA -0.558 57.579 58.200 -0.104 0.000 0.970 434 S CB 0.989 64.148 63.200 -0.067 0.000 1.039 434 S HN 0.665 nan 8.310 nan 0.000 0.485 435 I N 4.600 125.230 120.570 0.099 0.000 2.439 435 I HA 0.467 4.636 4.170 -0.002 0.000 0.283 435 I C -1.086 175.067 176.117 0.060 0.000 1.023 435 I CA -0.780 60.589 61.300 0.114 0.000 1.100 435 I CB 1.918 40.008 38.000 0.150 0.000 1.238 435 I HN 0.302 nan 8.210 nan 0.000 0.445 436 V N 5.812 125.762 119.914 0.060 0.000 2.444 436 V HA 0.470 4.589 4.120 -0.002 0.000 0.294 436 V C -0.479 175.654 176.094 0.065 0.000 1.022 436 V CA -0.720 61.614 62.300 0.057 0.000 0.850 436 V CB 1.765 33.625 31.823 0.061 0.000 0.992 436 V HN 0.651 nan 8.190 nan 0.000 0.426 437 N N 4.211 122.956 118.700 0.075 0.000 2.354 437 N HA 0.500 5.239 4.740 -0.002 0.000 0.287 437 N C -1.125 174.505 175.510 0.199 0.000 1.016 437 N CA -0.464 52.653 53.050 0.111 0.000 0.871 437 N CB 2.401 40.907 38.487 0.033 0.000 1.299 437 N HN 0.702 nan 8.380 nan 0.000 0.482 438 N N -0.392 118.410 118.700 0.170 0.000 2.240 438 N HA 0.440 5.179 4.740 -0.002 0.000 0.302 438 N C 0.418 175.960 175.510 0.052 0.000 1.106 438 N CA -0.548 52.557 53.050 0.092 0.000 0.778 438 N CB 2.425 40.939 38.487 0.044 0.000 1.431 438 N HN 0.677 nan 8.380 nan 0.000 0.479 439 G N 0.921 109.653 108.800 -0.112 0.000 2.176 439 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.253 439 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.253 439 G C -0.060 174.789 174.900 -0.085 0.000 0.979 439 G CA 0.134 45.175 45.100 -0.099 0.000 0.641 439 G HN 0.865 nan 8.290 nan 0.000 0.530 440 H N 0.117 119.184 119.070 -0.006 0.000 2.815 440 H HA 0.560 5.115 4.556 -0.001 0.000 0.350 440 H C 1.010 176.329 175.328 -0.016 0.000 1.080 440 H CA 0.459 56.501 56.048 -0.010 0.000 1.433 440 H CB 1.193 30.948 29.762 -0.011 0.000 1.432 440 H HN 0.494 nan 8.280 nan 0.000 0.592 441 S N 0.945 116.677 115.700 0.053 0.000 2.629 441 S HA 0.324 4.793 4.470 -0.002 0.000 0.236 441 S C 0.870 175.486 174.600 0.026 0.000 1.010 441 S CA -0.137 58.061 58.200 -0.003 0.000 0.981 441 S CB 0.541 63.733 63.200 -0.014 0.000 0.919 441 S HN 0.879 nan 8.310 nan 0.000 0.514 442 G N 2.107 110.951 108.800 0.074 0.000 3.286 442 G HA2 0.651 4.610 3.960 -0.002 0.000 0.166 442 G HA3 0.651 4.610 3.960 -0.002 0.000 0.166 442 G C -2.607 172.333 174.900 0.066 0.000 1.155 442 G CA -1.216 43.913 45.100 0.049 0.000 0.871 442 G HN 0.338 nan 8.290 nan 0.000 0.637 443 P HA 0.345 nan 4.420 nan 0.000 0.267 443 P C -0.105 177.201 177.300 0.010 0.000 1.201 443 P CA 0.013 63.120 63.100 0.011 0.000 0.775 443 P CB 0.398 32.089 31.700 -0.015 0.000 0.854 444 A N 4.184 126.998 122.820 -0.009 0.000 2.546 444 A HA 0.208 4.527 4.320 -0.002 0.000 0.243 444 A C -1.374 176.117 177.584 -0.154 0.000 1.063 444 A CA -0.788 51.206 52.037 -0.072 0.000 0.757 444 A CB -0.907 18.069 19.000 -0.039 0.000 0.991 444 A HN 0.438 nan 8.150 nan 0.000 0.503 445 P HA 0.088 nan 4.420 nan 0.000 0.246 445 P C 0.640 177.853 177.300 -0.144 0.000 1.686 445 P CA 0.087 63.048 63.100 -0.231 0.000 0.867 445 P CB -0.121 31.378 31.700 -0.335 0.000 1.733 446 L N -0.584 120.575 121.223 -0.107 0.000 2.217 446 L HA -0.062 4.277 4.340 -0.002 0.000 0.211 446 L C 2.479 179.309 176.870 -0.066 0.000 1.107 446 L CA 1.263 56.057 54.840 -0.076 0.000 0.783 446 L CB -0.983 41.040 42.059 -0.061 0.000 0.919 446 L HN 0.062 nan 8.230 nan 0.000 0.442 447 A N -0.046 122.734 122.820 -0.066 0.000 1.969 447 A HA -0.089 4.230 4.320 -0.002 0.000 0.218 447 A C 2.359 179.903 177.584 -0.066 0.000 1.169 447 A CA 1.276 53.277 52.037 -0.059 0.000 0.635 447 A CB -0.573 18.396 19.000 -0.052 0.000 0.810 447 A HN 0.178 nan 8.150 nan 0.000 0.445 448 V N -0.187 119.683 119.914 -0.074 0.000 2.307 448 V HA -0.303 3.816 4.120 -0.002 0.000 0.245 448 V C 2.642 178.687 176.094 -0.083 0.000 1.045 448 V CA 2.293 64.547 62.300 -0.077 0.000 1.024 448 V CB -0.847 30.929 31.823 -0.078 0.000 0.651 448 V HN 0.645 nan 8.190 nan 0.000 0.449 449 Q N -0.378 119.379 119.800 -0.071 0.000 2.046 449 Q HA -0.208 4.131 4.340 -0.002 0.000 0.200 449 Q C 2.103 178.056 176.000 -0.078 0.000 0.975 449 Q CA 1.849 57.620 55.803 -0.053 0.000 0.836 449 Q CB -0.262 28.466 28.738 -0.017 0.000 0.896 449 Q HN 0.603 nan 8.270 nan 0.000 0.428 450 D N 0.671 121.029 120.400 -0.070 0.000 2.092 450 D HA -0.188 4.451 4.640 -0.002 0.000 0.193 450 D C 1.813 178.052 176.300 -0.100 0.000 0.994 450 D CA 1.547 55.501 54.000 -0.077 0.000 0.828 450 D CB -0.443 40.321 40.800 -0.060 0.000 0.963 450 D HN 0.288 nan 8.370 nan 0.000 0.450 451 A N 0.521 123.285 122.820 -0.093 0.000 1.917 451 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 451 A C 2.401 179.905 177.584 -0.133 0.000 1.182 451 A CA 1.240 53.219 52.037 -0.097 0.000 0.633 451 A CB -0.790 18.160 19.000 -0.083 0.000 0.819 451 A HN 0.238 nan 8.150 nan 0.000 0.448 452 I N -0.574 119.896 120.570 -0.168 0.000 2.233 452 I HA -0.213 3.956 4.170 -0.002 0.000 0.243 452 I C 2.975 178.902 176.117 -0.317 0.000 1.093 452 I CA 0.919 62.074 61.300 -0.242 0.000 1.380 452 I CB -0.344 37.500 38.000 -0.260 0.000 1.067 452 I HN 0.340 nan 8.210 nan 0.000 0.413 453 A N 0.450 123.068 122.820 -0.337 0.000 1.883 453 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 453 A C 2.445 179.882 177.584 -0.245 0.000 1.186 453 A CA 1.955 53.750 52.037 -0.403 0.000 0.624 453 A CB -1.054 17.786 19.000 -0.266 0.000 0.822 453 A HN 0.240 nan 8.150 nan 0.000 0.444 454 V N -0.108 119.709 119.914 -0.162 0.000 2.343 454 V HA -0.224 3.895 4.120 -0.002 0.000 0.247 454 V C 2.729 178.773 176.094 -0.083 0.000 1.051 454 V CA 2.097 64.335 62.300 -0.103 0.000 1.036 454 V CB -0.754 31.023 31.823 -0.077 0.000 0.654 454 V HN 0.498 nan 8.190 nan 0.000 0.451 455 R N -0.436 120.001 120.500 -0.105 0.000 2.092 455 R HA -0.043 4.296 4.340 -0.002 0.000 0.231 455 R C 2.206 178.479 176.300 -0.045 0.000 1.119 455 R CA 1.260 57.316 56.100 -0.072 0.000 0.970 455 R CB -0.432 29.806 30.300 -0.104 0.000 0.864 455 R HN 0.461 nan 8.270 nan 0.000 0.440 456 L N -0.220 120.932 121.223 -0.119 0.000 2.056 456 L HA -0.118 4.221 4.340 -0.002 0.000 0.207 456 L C 2.643 179.537 176.870 0.041 0.000 1.078 456 L CA 1.215 56.008 54.840 -0.078 0.000 0.749 456 L CB -0.589 41.323 42.059 -0.246 0.000 0.901 456 L HN 0.155 nan 8.230 nan 0.000 0.433 457 A N 0.121 122.936 122.820 -0.009 0.000 1.908 457 A HA -0.248 4.071 4.320 -0.002 0.000 0.218 457 A C 2.140 179.816 177.584 0.154 0.000 1.181 457 A CA 1.859 53.927 52.037 0.052 0.000 0.627 457 A CB -0.453 18.514 19.000 -0.056 0.000 0.818 457 A HN 0.435 nan 8.150 nan 0.000 0.445 458 E N -1.913 118.345 120.200 0.096 0.000 2.110 458 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 458 E C 1.816 178.481 176.600 0.107 0.000 0.988 458 E CA 1.372 57.828 56.400 0.093 0.000 0.804 458 E CB -0.284 29.450 29.700 0.057 0.000 0.745 458 E HN 0.775 nan 8.360 nan 0.000 0.458 459 Y N 0.700 121.006 120.300 0.011 0.000 2.200 459 Y HA -0.158 4.391 4.550 -0.001 0.000 0.290 459 Y C 2.129 178.046 175.900 0.029 0.000 1.137 459 Y CA 1.368 59.475 58.100 0.011 0.000 1.163 459 Y CB -0.201 38.258 38.460 -0.001 0.000 0.988 459 Y HN 0.009 nan 8.280 nan 0.000 0.518 460 A N -0.838 122.089 122.820 0.179 0.000 2.172 460 A HA 0.209 4.528 4.320 -0.002 0.000 0.216 460 A C 1.868 179.451 177.584 -0.002 0.000 1.154 460 A CA 1.343 53.456 52.037 0.126 0.000 0.701 460 A CB -1.114 18.029 19.000 0.238 0.000 0.789 460 A HN 0.905 nan 8.150 nan 0.000 0.465 461 G N -2.452 106.333 108.800 -0.025 0.000 2.198 461 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.156 461 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.156 461 G C -0.006 174.782 174.900 -0.187 0.000 1.012 461 G CA 0.002 45.016 45.100 -0.143 0.000 0.692 461 G HN 0.635 nan 8.290 nan 0.000 0.492 462 H N 0.104 119.167 119.070 -0.011 0.000 2.508 462 H HA 0.598 5.153 4.556 -0.002 0.000 0.358 462 H C -0.077 175.245 175.328 -0.010 0.000 1.212 462 H CA 0.201 56.244 56.048 -0.008 0.000 1.356 462 H CB 1.161 30.922 29.762 -0.001 0.000 1.525 462 H HN 0.212 nan 8.280 nan 0.000 0.578 463 Q N 0.045 119.916 119.800 0.119 0.000 2.342 463 Q HA 0.443 4.782 4.340 -0.002 0.000 0.267 463 Q C -0.631 175.399 176.000 0.051 0.000 1.038 463 Q CA -0.816 55.022 55.803 0.058 0.000 0.832 463 Q CB 2.217 30.972 28.738 0.030 0.000 1.323 463 Q HN 0.764 nan 8.270 nan 0.000 0.448 464 A N 3.687 126.524 122.820 0.028 0.000 2.567 464 A HA 0.328 4.647 4.320 -0.002 0.000 0.240 464 A C -2.049 175.543 177.584 0.014 0.000 1.053 464 A CA -0.652 51.394 52.037 0.015 0.000 0.755 464 A CB -0.663 18.340 19.000 0.005 0.000 0.978 464 A HN 0.456 nan 8.150 nan 0.000 0.507 465 P HA 0.379 nan 4.420 nan 0.000 0.274 465 P C -0.190 177.113 177.300 0.005 0.000 1.231 465 P CA -0.100 63.006 63.100 0.010 0.000 0.790 465 P CB 0.806 32.511 31.700 0.008 0.000 0.951 466 E N 0.000 120.203 120.200 0.005 0.000 2.725 466 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 466 E CA 0.000 56.402 56.400 0.003 0.000 0.976 466 E CB 0.000 29.701 29.700 0.003 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440