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 3nzu_1_A DATA FIRST_RESID 148 DATA SEQUENCE QAFQRQLTAL IGYDVTDVSN VHDDELEFTR RGLVTPRMAE VASRDPKLYA DATA SEQUENCE MHPWVTSKPL PEYLWKKIAN NCIFIVIHRS TTSQTIKVSP DDTPGAILQS DATA SEQUENCE FXXXXXXXXX XXXXXXXXXX XDFVLRVCGR DEYLVGETPI KNFQWVRHCL DATA SEQUENCE KNGEEIHVVL DTPPDPALDE VRKXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXC DRKFRVKIRG IDIPVLPRNT DLTVFVEANI QHGQQVLCQR DATA SEQUENCE RTSPKPFTEE VLWNVWLEFS IKIKDLPKGA LLNLQIYCXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXLLYYVNLL LIDHRFLLRR GEYVLHMWQI XXXXXXXXSF DATA SEQUENCE NADKLTSATN PDKENSMSIS ILLDXXXXXX XXXXXXXXXX XXXXXXXXEM DATA SEQUENCE PNQLRKQLEA IIATDPLNPL TAEDKELLWH FRYESLKHPK AYPKLFSSVK DATA SEQUENCE WGQQEIVAKT YQLLARREVW DQSALDVGLT MQLLDCNFSD ENVRAIAVQK DATA SEQUENCE LESLEDDDVL HYLLQLVQAV KFEPYHDSAL ARFLLKRGLR NKRIGHFLFW DATA SEQUENCE FLRSEIAQSR HYQQRFAVIL EAYLRGCGTA MLHDFTQQVQ VIEMLQKVTL DATA SEQUENCE DIKSLXXXXY DVSSQVISQL KQKLENLQNS QLPESFRVPY DPGLKAGALA DATA SEQUENCE IEKCKVMASK KKPLWLEFKC ADPTALSNET IGIIFKHGDD LRQDMLILQI DATA SEQUENCE LRIMESIWET ESLDLCLLPY GCISTGDKIG MIEIVKDATT IAKIQQSTVG DATA SEQUENCE NTGAFKDEVL NHWLKEKSPT EEKFQAAVER FVYSCAGYCV ATFVLGIGDR DATA SEQUENCE HNDNIMITET GNLFHIDFGH ILGNYXXXXX XXXXRVPFVL TPDFLFVMGT DATA SEQUENCE SGKKTSPHFQ KFQDICVKAY LALRHHTNLL IILFSMMLMT GMPQLTSKED DATA SEQUENCE IEYIRDALTV GKNEEDAKKY FLDQIEVCRD KGWTVQFNWF LHLVLGI 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 148 Q HA 0.000 nan 4.340 nan 0.000 0.214 148 Q C 0.000 176.057 176.000 0.096 0.000 1.003 148 Q CA 0.000 55.853 55.803 0.084 0.000 1.022 148 Q CB 0.000 28.766 28.738 0.047 0.000 1.108 149 A N 0.218 123.093 122.820 0.092 0.000 2.259 149 A HA 0.006 4.334 4.320 0.013 0.000 0.212 149 A C 1.488 179.148 177.584 0.125 0.000 1.178 149 A CA 1.157 53.244 52.037 0.083 0.000 0.734 149 A CB -0.655 18.387 19.000 0.069 0.000 0.774 149 A HN 0.449 nan 8.150 nan 0.000 0.481 150 F N -0.114 119.837 119.950 0.003 0.000 2.188 150 F HA 0.025 4.560 4.527 0.013 0.000 0.289 150 F C 2.234 178.038 175.800 0.006 0.000 1.082 150 F CA 1.714 59.716 58.000 0.004 0.000 1.282 150 F CB -0.272 38.728 39.000 0.000 0.000 1.060 150 F HN 0.296 nan 8.300 nan 0.000 0.493 151 Q N 0.782 120.619 119.800 0.062 0.000 2.291 151 Q HA -0.130 4.218 4.340 0.013 0.000 0.206 151 Q C 2.077 178.032 176.000 -0.075 0.000 0.976 151 Q CA 1.501 57.280 55.803 -0.039 0.000 0.875 151 Q CB -0.222 28.543 28.738 0.045 0.000 0.927 151 Q HN 0.380 nan 8.270 nan 0.000 0.450 152 R N -0.648 119.826 120.500 -0.043 0.000 2.073 152 R HA -0.103 4.245 4.340 0.013 0.000 0.229 152 R C 2.298 178.554 176.300 -0.072 0.000 1.120 152 R CA 1.427 57.501 56.100 -0.042 0.000 0.967 152 R CB -0.252 30.043 30.300 -0.010 0.000 0.862 152 R HN 0.437 nan 8.270 nan 0.000 0.436 153 Q N 1.096 120.832 119.800 -0.107 0.000 2.084 153 Q HA -0.127 4.221 4.340 0.013 0.000 0.202 153 Q C 2.112 178.011 176.000 -0.169 0.000 0.978 153 Q CA 1.208 56.937 55.803 -0.123 0.000 0.844 153 Q CB 0.020 28.678 28.738 -0.133 0.000 0.898 153 Q HN 0.331 nan 8.270 nan 0.000 0.426 154 L N -0.003 121.051 121.223 -0.281 0.000 2.042 154 L HA -0.194 4.154 4.340 0.013 0.000 0.210 154 L C 2.476 179.279 176.870 -0.113 0.000 1.076 154 L CA 1.612 56.312 54.840 -0.234 0.000 0.749 154 L CB -0.641 41.240 42.059 -0.296 0.000 0.893 154 L HN 0.287 nan 8.230 nan 0.000 0.432 155 T N -0.192 114.306 114.554 -0.093 0.000 2.746 155 T HA -0.151 4.207 4.350 0.013 0.000 0.267 155 T C 1.973 176.651 174.700 -0.037 0.000 1.039 155 T CA 1.312 63.379 62.100 -0.054 0.000 1.142 155 T CB -0.181 68.651 68.868 -0.061 0.000 0.866 155 T HN 0.454 nan 8.240 nan 0.000 0.444 156 A N 0.884 123.681 122.820 -0.038 0.000 1.930 156 A HA 0.127 4.455 4.320 0.013 0.000 0.217 156 A C 2.267 179.849 177.584 -0.004 0.000 1.175 156 A CA 0.929 52.956 52.037 -0.016 0.000 0.627 156 A CB -0.692 18.301 19.000 -0.011 0.000 0.815 156 A HN 0.456 nan 8.150 nan 0.000 0.443 157 L N -0.670 120.547 121.223 -0.010 0.000 2.156 157 L HA -0.082 4.265 4.340 0.013 0.000 0.208 157 L C 2.290 179.143 176.870 -0.030 0.000 1.095 157 L CA 0.897 55.754 54.840 0.028 0.000 0.770 157 L CB -0.257 41.829 42.059 0.045 0.000 0.914 157 L HN 0.402 nan 8.230 nan 0.000 0.439 158 I N -1.004 119.532 120.570 -0.057 0.000 2.400 158 I HA -0.027 4.151 4.170 0.013 0.000 0.248 158 I C 1.608 177.688 176.117 -0.060 0.000 1.109 158 I CA 0.938 62.179 61.300 -0.098 0.000 1.425 158 I CB -0.267 37.715 38.000 -0.031 0.000 1.094 158 I HN 0.405 nan 8.210 nan 0.000 0.425 159 G N 0.477 109.277 108.800 -0.000 0.000 2.132 159 G HA2 -0.313 3.655 3.960 0.013 0.000 0.234 159 G HA3 -0.313 3.655 3.960 0.013 0.000 0.234 159 G C -0.118 174.863 174.900 0.135 0.000 0.989 159 G CA 0.077 45.202 45.100 0.042 0.000 0.676 159 G HN 0.399 nan 8.290 nan 0.000 0.522 160 Y N -0.370 119.909 120.300 -0.036 0.000 2.521 160 Y HA 0.473 5.031 4.550 0.013 0.000 0.326 160 Y C -1.538 174.344 175.900 -0.029 0.000 1.176 160 Y CA -0.923 57.163 58.100 -0.024 0.000 1.079 160 Y CB 1.658 40.108 38.460 -0.016 0.000 1.341 160 Y HN 0.090 nan 8.280 nan 0.000 0.456 161 D N 3.874 123.938 120.400 -0.560 0.000 2.365 161 D HA 0.246 4.894 4.640 0.013 0.000 0.237 161 D C 0.876 177.056 176.300 -0.199 0.000 1.190 161 D CA 0.058 53.867 54.000 -0.320 0.000 0.867 161 D CB 1.364 41.975 40.800 -0.315 0.000 1.050 161 D HN 0.480 nan 8.370 nan 0.000 0.491 162 V N 1.698 121.642 119.914 0.051 0.000 3.217 162 V HA -0.042 4.086 4.120 0.013 0.000 0.264 162 V C 1.698 177.828 176.094 0.059 0.000 1.135 162 V CA 1.618 64.002 62.300 0.140 0.000 1.142 162 V CB -0.915 30.974 31.823 0.110 0.000 0.754 162 V HN 0.646 nan 8.190 nan 0.000 0.484 163 T N -2.899 111.659 114.554 0.006 0.000 3.067 163 T HA -0.010 4.348 4.350 0.013 0.000 0.257 163 T C 0.879 175.572 174.700 -0.012 0.000 1.105 163 T CA 0.496 62.597 62.100 0.003 0.000 1.104 163 T CB -0.506 68.359 68.868 -0.003 0.000 0.925 163 T HN 0.637 nan 8.240 nan 0.000 0.498 164 D N 2.028 122.398 120.400 -0.050 0.000 2.488 164 D HA 0.030 4.678 4.640 0.013 0.000 0.238 164 D C 0.790 177.084 176.300 -0.010 0.000 1.138 164 D CA 0.344 54.307 54.000 -0.063 0.000 0.873 164 D CB 1.317 42.020 40.800 -0.161 0.000 1.183 164 D HN 0.321 nan 8.370 nan 0.000 0.458 165 V N 0.999 120.911 119.914 -0.005 0.000 3.111 165 V HA 0.094 4.221 4.120 0.013 0.000 0.343 165 V C 1.457 177.560 176.094 0.014 0.000 1.417 165 V CA 0.356 62.666 62.300 0.016 0.000 1.142 165 V CB -0.256 31.579 31.823 0.021 0.000 1.114 165 V HN 0.517 nan 8.190 nan 0.000 0.520 166 S N 0.160 115.861 115.700 0.000 0.000 2.428 166 S HA -0.005 4.473 4.470 0.013 0.000 0.230 166 S C 1.244 175.847 174.600 0.005 0.000 1.014 166 S CA 1.472 59.669 58.200 -0.005 0.000 0.957 166 S CB -0.529 62.655 63.200 -0.027 0.000 0.784 166 S HN 0.612 nan 8.310 nan 0.000 0.499 167 N N 1.305 120.018 118.700 0.021 0.000 2.610 167 N HA 0.306 5.053 4.740 0.013 0.000 0.309 167 N C -0.756 174.779 175.510 0.041 0.000 1.536 167 N CA -0.348 52.719 53.050 0.028 0.000 0.954 167 N CB 0.960 39.465 38.487 0.031 0.000 1.310 167 N HN 0.416 nan 8.380 nan 0.000 0.502 168 V N -1.354 118.585 119.914 0.043 0.000 3.040 168 V HA 0.579 4.707 4.120 0.013 0.000 0.312 168 V C 0.428 176.566 176.094 0.073 0.000 1.115 168 V CA -0.699 61.606 62.300 0.007 0.000 0.998 168 V CB 1.916 33.735 31.823 -0.007 0.000 1.042 168 V HN 0.417 nan 8.190 nan 0.000 0.433 169 H N 0.128 119.275 119.070 0.127 0.000 3.233 169 H HA 0.425 4.989 4.556 0.013 0.000 0.263 169 H C -0.586 174.851 175.328 0.182 0.000 1.168 169 H CA 0.338 56.479 56.048 0.155 0.000 1.159 169 H CB 0.906 30.814 29.762 0.244 0.000 1.593 169 H HN 0.878 nan 8.280 nan 0.000 0.580 170 D N 0.906 121.307 120.400 0.002 0.000 2.825 170 D HA -0.010 4.638 4.640 0.013 0.000 0.327 170 D C -0.328 176.026 176.300 0.090 0.000 1.277 170 D CA -0.345 53.728 54.000 0.122 0.000 0.950 170 D CB 0.632 41.557 40.800 0.208 0.000 1.438 170 D HN 0.082 nan 8.370 nan 0.000 0.526 171 D N -1.277 119.231 120.400 0.179 0.000 2.501 171 D HA 0.040 4.688 4.640 0.013 0.000 0.226 171 D C 0.810 177.136 176.300 0.044 0.000 1.198 171 D CA -0.233 53.857 54.000 0.149 0.000 0.830 171 D CB 0.283 41.212 40.800 0.215 0.000 1.014 171 D HN 0.582 nan 8.370 nan 0.000 0.496 172 E N 0.768 120.852 120.200 -0.192 0.000 2.085 172 E HA -0.156 4.202 4.350 0.013 0.000 0.194 172 E C 1.859 178.430 176.600 -0.047 0.000 0.994 172 E CA 0.787 56.826 56.400 -0.601 0.000 0.801 172 E CB 0.058 29.538 29.700 -0.367 0.000 0.743 172 E HN 0.310 nan 8.360 nan 0.000 0.453 173 L N 0.467 121.706 121.223 0.028 0.000 2.017 173 L HA -0.191 4.157 4.340 0.013 0.000 0.208 173 L C 2.708 179.601 176.870 0.038 0.000 1.073 173 L CA 1.471 56.300 54.840 -0.017 0.000 0.745 173 L CB -0.376 41.625 42.059 -0.097 0.000 0.894 173 L HN 0.165 nan 8.230 nan 0.000 0.432 174 E N 0.223 120.462 120.200 0.065 0.000 2.106 174 E HA -0.261 4.097 4.350 0.013 0.000 0.192 174 E C 1.972 178.639 176.600 0.111 0.000 0.984 174 E CA 1.204 57.651 56.400 0.079 0.000 0.806 174 E CB -0.335 29.417 29.700 0.087 0.000 0.750 174 E HN 0.360 nan 8.360 nan 0.000 0.458 175 F N 0.417 120.369 119.950 0.004 0.000 2.161 175 F HA -0.200 4.335 4.527 0.013 0.000 0.300 175 F C 1.973 177.790 175.800 0.028 0.000 1.089 175 F CA 1.909 59.929 58.000 0.034 0.000 1.282 175 F CB -0.324 38.698 39.000 0.037 0.000 1.010 175 F HN -0.003 nan 8.300 nan 0.000 0.485 176 T N 0.482 115.148 114.554 0.188 0.000 2.942 176 T HA -0.073 4.285 4.350 0.013 0.000 0.265 176 T C 1.939 176.645 174.700 0.010 0.000 1.062 176 T CA 1.026 63.195 62.100 0.116 0.000 1.139 176 T CB -0.185 68.787 68.868 0.173 0.000 0.883 176 T HN 0.274 nan 8.240 nan 0.000 0.468 177 R N 0.966 121.471 120.500 0.009 0.000 2.081 177 R HA 0.008 4.356 4.340 0.013 0.000 0.235 177 R C 2.695 178.974 176.300 -0.035 0.000 1.131 177 R CA 1.190 57.291 56.100 0.001 0.000 0.960 177 R CB -0.163 30.146 30.300 0.015 0.000 0.856 177 R HN 0.360 nan 8.270 nan 0.000 0.436 178 R N -0.388 120.059 120.500 -0.087 0.000 2.062 178 R HA -0.034 4.314 4.340 0.013 0.000 0.229 178 R C 2.460 178.661 176.300 -0.166 0.000 1.128 178 R CA 1.264 57.288 56.100 -0.126 0.000 0.960 178 R CB -0.491 29.709 30.300 -0.167 0.000 0.855 178 R HN 0.306 nan 8.270 nan 0.000 0.432 179 G N 1.214 109.854 108.800 -0.267 0.000 2.432 179 G HA2 -0.195 3.773 3.960 0.013 0.000 0.219 179 G HA3 -0.195 3.773 3.960 0.013 0.000 0.219 179 G C 1.388 176.242 174.900 -0.077 0.000 1.135 179 G CA 0.397 45.364 45.100 -0.222 0.000 0.767 179 G HN 0.133 nan 8.290 nan 0.000 0.550 180 L N 0.518 121.717 121.223 -0.039 0.000 2.478 180 L HA 0.035 4.383 4.340 0.013 0.000 0.223 180 L C 2.725 179.598 176.870 0.005 0.000 1.140 180 L CA -0.233 54.612 54.840 0.008 0.000 0.842 180 L CB -0.070 42.010 42.059 0.035 0.000 0.953 180 L HN 0.054 nan 8.230 nan 0.000 0.452 181 V N -0.337 119.568 119.914 -0.014 0.000 2.287 181 V HA -0.305 3.822 4.120 0.013 0.000 0.248 181 V C 2.544 178.633 176.094 -0.008 0.000 1.053 181 V CA 2.407 64.701 62.300 -0.010 0.000 1.027 181 V CB -0.737 31.074 31.823 -0.020 0.000 0.646 181 V HN 0.457 nan 8.190 nan 0.000 0.447 182 T N 0.318 114.864 114.554 -0.013 0.000 2.622 182 T HA -0.131 4.227 4.350 0.013 0.000 0.266 182 T C 0.065 174.767 174.700 0.004 0.000 1.047 182 T CA 2.263 64.359 62.100 -0.007 0.000 1.159 182 T CB -1.300 67.564 68.868 -0.006 0.000 0.863 182 T HN 0.424 nan 8.240 nan 0.000 0.422 183 P HA -0.102 nan 4.420 nan 0.000 0.216 183 P C 1.479 178.792 177.300 0.020 0.000 1.150 183 P CA 1.217 64.333 63.100 0.027 0.000 0.843 183 P CB -0.046 31.680 31.700 0.043 0.000 0.787 184 R N -0.148 120.362 120.500 0.017 0.000 2.070 184 R HA -0.075 4.272 4.340 0.013 0.000 0.232 184 R C 2.193 178.486 176.300 -0.012 0.000 1.138 184 R CA 2.025 58.130 56.100 0.009 0.000 0.936 184 R CB -0.711 29.596 30.300 0.012 0.000 0.839 184 R HN 0.074 nan 8.270 nan 0.000 0.429 185 M N 0.248 119.839 119.600 -0.014 0.000 2.213 185 M HA -0.089 4.399 4.480 0.013 0.000 0.263 185 M C 2.459 178.743 176.300 -0.026 0.000 1.062 185 M CA 1.639 56.924 55.300 -0.025 0.000 1.105 185 M CB -0.397 32.191 32.600 -0.021 0.000 1.385 185 M HN 0.346 nan 8.290 nan 0.000 0.417 186 A N 0.480 123.291 122.820 -0.014 0.000 1.877 186 A HA -0.191 4.137 4.320 0.013 0.000 0.216 186 A C 2.046 179.620 177.584 -0.018 0.000 1.186 186 A CA 2.102 54.133 52.037 -0.010 0.000 0.620 186 A CB -0.582 18.420 19.000 0.004 0.000 0.822 186 A HN 0.434 nan 8.150 nan 0.000 0.443 187 E N -0.300 119.889 120.200 -0.019 0.000 2.107 187 E HA -0.065 4.293 4.350 0.013 0.000 0.191 187 E C 1.795 178.351 176.600 -0.074 0.000 0.982 187 E CA 1.256 57.637 56.400 -0.031 0.000 0.809 187 E CB -0.314 29.375 29.700 -0.017 0.000 0.756 187 E HN 0.216 nan 8.360 nan 0.000 0.459 188 V N 0.627 120.489 119.914 -0.085 0.000 2.358 188 V HA -0.150 3.978 4.120 0.013 0.000 0.246 188 V C 2.047 178.072 176.094 -0.114 0.000 1.047 188 V CA 1.730 63.950 62.300 -0.133 0.000 1.035 188 V CB -0.624 31.133 31.823 -0.111 0.000 0.658 188 V HN 0.417 nan 8.190 nan 0.000 0.452 189 A N -0.213 122.563 122.820 -0.073 0.000 2.276 189 A HA 0.158 4.486 4.320 0.013 0.000 0.212 189 A C 1.642 179.199 177.584 -0.046 0.000 1.230 189 A CA 0.966 52.969 52.037 -0.056 0.000 0.844 189 A CB -0.281 18.695 19.000 -0.039 0.000 0.860 189 A HN 0.670 nan 8.150 nan 0.000 0.486 190 S N -0.854 114.814 115.700 -0.053 0.000 2.993 190 S HA 0.188 4.665 4.470 0.013 0.000 0.257 190 S C 0.225 174.804 174.600 -0.036 0.000 0.997 190 S CA -0.598 57.582 58.200 -0.034 0.000 1.191 190 S CB -0.294 62.895 63.200 -0.018 0.000 1.143 190 S HN 0.674 nan 8.310 nan 0.000 0.655 191 R N 0.942 121.400 120.500 -0.070 0.000 2.346 191 R HA 0.561 4.909 4.340 0.013 0.000 0.311 191 R C -1.248 175.030 176.300 -0.037 0.000 0.983 191 R CA -0.481 55.580 56.100 -0.064 0.000 0.880 191 R CB 0.470 30.673 30.300 -0.161 0.000 1.100 191 R HN -0.001 nan 8.270 nan 0.000 0.453 192 D N 4.401 124.811 120.400 0.017 0.000 2.382 192 D HA 0.073 4.721 4.640 0.013 0.000 0.259 192 D C -1.531 174.809 176.300 0.068 0.000 1.224 192 D CA -2.130 51.890 54.000 0.033 0.000 0.894 192 D CB 1.401 42.226 40.800 0.042 0.000 1.127 192 D HN 0.349 nan 8.370 nan 0.000 0.487 193 P HA -0.191 nan 4.420 nan 0.000 0.215 193 P C 0.975 178.328 177.300 0.089 0.000 1.157 193 P CA 1.668 64.813 63.100 0.075 0.000 0.874 193 P CB 0.214 31.931 31.700 0.027 0.000 0.790 194 K N -0.633 119.790 120.400 0.038 0.000 2.002 194 K HA -0.067 4.260 4.320 0.013 0.000 0.209 194 K C 2.136 178.736 176.600 0.001 0.000 1.048 194 K CA 1.228 57.513 56.287 -0.003 0.000 0.930 194 K CB -0.810 31.679 32.500 -0.019 0.000 0.714 194 K HN 0.153 nan 8.250 nan 0.000 0.438 195 L N -0.147 121.103 121.223 0.044 0.000 2.201 195 L HA -0.166 4.182 4.340 0.013 0.000 0.212 195 L C 2.443 179.379 176.870 0.111 0.000 1.105 195 L CA 0.863 55.739 54.840 0.060 0.000 0.775 195 L CB -0.344 41.762 42.059 0.079 0.000 0.913 195 L HN 0.197 nan 8.230 nan 0.000 0.440 196 Y N 0.589 120.903 120.300 0.024 0.000 2.314 196 Y HA -0.107 4.451 4.550 0.013 0.000 0.293 196 Y C 2.414 178.356 175.900 0.071 0.000 1.129 196 Y CA 0.908 59.039 58.100 0.051 0.000 1.201 196 Y CB -0.067 38.411 38.460 0.029 0.000 0.999 196 Y HN 0.071 nan 8.280 nan 0.000 0.541 197 A N -0.171 122.650 122.820 0.003 0.000 1.968 197 A HA -0.075 4.253 4.320 0.013 0.000 0.217 197 A C 2.085 179.623 177.584 -0.076 0.000 1.169 197 A CA 1.673 53.666 52.037 -0.073 0.000 0.638 197 A CB -0.503 18.465 19.000 -0.052 0.000 0.812 197 A HN 0.539 nan 8.150 nan 0.000 0.446 198 M N -0.589 118.907 119.600 -0.172 0.000 2.461 198 M HA 0.070 4.557 4.480 0.013 0.000 0.255 198 M C 0.167 176.153 176.300 -0.523 0.000 1.137 198 M CA 0.413 55.465 55.300 -0.413 0.000 1.086 198 M CB -0.035 32.251 32.600 -0.525 0.000 1.356 198 M HN 0.746 nan 8.290 nan 0.000 0.487 199 H N -1.232 117.822 119.070 -0.027 0.000 2.527 199 H HA -0.087 4.477 4.556 0.013 0.000 0.321 199 H C -2.524 172.883 175.328 0.131 0.000 1.092 199 H CA -0.404 55.652 56.048 0.014 0.000 1.118 199 H CB -2.506 27.212 29.762 -0.073 0.000 1.536 199 H HN 0.166 nan 8.280 nan 0.000 0.407 200 P HA -0.111 nan 4.420 nan 0.000 0.258 200 P C 0.108 177.611 177.300 0.338 0.000 1.172 200 P CA 0.370 63.613 63.100 0.239 0.000 0.762 200 P CB 0.150 31.994 31.700 0.239 0.000 0.764 201 W N 7.332 128.745 121.300 0.188 0.000 2.316 201 W HA 0.413 5.081 4.660 0.013 0.000 0.339 201 W C -0.881 175.698 176.519 0.100 0.000 1.002 201 W CA -0.761 56.673 57.345 0.148 0.000 1.465 201 W CB -0.040 29.524 29.460 0.173 0.000 1.300 201 W HN 0.188 nan 8.180 nan 0.000 0.378 202 V N 2.891 122.895 119.914 0.150 0.000 3.156 202 V HA 0.918 5.046 4.120 0.013 0.000 0.311 202 V C -0.750 175.279 176.094 -0.108 0.000 1.208 202 V CA -0.870 61.316 62.300 -0.191 0.000 1.063 202 V CB 1.544 33.103 31.823 -0.441 0.000 1.098 202 V HN 0.342 nan 8.190 nan 0.000 0.452 203 T N -0.840 113.611 114.554 -0.171 0.000 2.894 203 T HA 0.528 4.886 4.350 0.013 0.000 0.309 203 T C 0.190 174.837 174.700 -0.089 0.000 1.208 203 T CA 0.328 62.373 62.100 -0.092 0.000 1.016 203 T CB 1.977 70.791 68.868 -0.090 0.000 1.192 203 T HN 0.899 nan 8.240 nan 0.000 0.491 204 S N 1.335 117.011 115.700 -0.041 0.000 2.540 204 S HA 0.249 4.726 4.470 0.013 0.000 0.218 204 S C 0.501 175.092 174.600 -0.014 0.000 0.977 204 S CA -0.292 57.891 58.200 -0.030 0.000 0.918 204 S CB 0.032 63.226 63.200 -0.010 0.000 0.806 204 S HN 0.585 nan 8.310 nan 0.000 0.496 205 K N 2.518 122.911 120.400 -0.010 0.000 2.319 205 K HA 0.205 4.533 4.320 0.013 0.000 0.265 205 K C -2.693 173.902 176.600 -0.008 0.000 1.000 205 K CA -1.288 55.000 56.287 0.003 0.000 0.943 205 K CB -0.204 32.304 32.500 0.014 0.000 0.950 205 K HN 0.012 nan 8.250 nan 0.000 0.485 206 P HA -0.014 nan 4.420 nan 0.000 0.272 206 P C -0.846 176.447 177.300 -0.011 0.000 1.223 206 P CA -0.535 62.587 63.100 0.037 0.000 0.784 206 P CB 0.391 32.131 31.700 0.068 0.000 0.923 207 L N 4.978 126.185 121.223 -0.026 0.000 2.418 207 L HA 0.298 4.646 4.340 0.013 0.000 0.274 207 L C -2.214 174.543 176.870 -0.189 0.000 1.135 207 L CA -1.831 52.855 54.840 -0.256 0.000 0.870 207 L CB -0.510 41.134 42.059 -0.692 0.000 1.154 207 L HN 0.284 nan 8.230 nan 0.000 0.462 208 P HA -0.006 nan 4.420 nan 0.000 0.269 208 P C 0.231 177.361 177.300 -0.283 0.000 1.211 208 P CA 0.069 62.908 63.100 -0.436 0.000 0.781 208 P CB 0.477 31.518 31.700 -1.099 0.000 0.877 209 E N 0.767 120.881 120.200 -0.144 0.000 2.077 209 E HA -0.224 4.133 4.350 0.013 0.000 0.193 209 E C 1.614 178.247 176.600 0.055 0.000 0.989 209 E CA 1.447 57.892 56.400 0.076 0.000 0.800 209 E CB -0.520 29.231 29.700 0.085 0.000 0.746 209 E HN 0.654 nan 8.360 nan 0.000 0.452 210 Y N -0.581 119.781 120.300 0.103 0.000 2.571 210 Y HA 0.056 4.614 4.550 0.013 0.000 0.294 210 Y C 1.668 177.596 175.900 0.046 0.000 1.141 210 Y CA 0.411 58.555 58.100 0.075 0.000 1.308 210 Y CB -0.352 38.144 38.460 0.060 0.000 1.002 210 Y HN -0.065 nan 8.280 nan 0.000 0.551 211 L N -2.264 118.875 121.223 -0.139 0.000 2.556 211 L HA 0.104 4.452 4.340 0.013 0.000 0.226 211 L C 1.613 178.389 176.870 -0.157 0.000 1.089 211 L CA 0.120 54.880 54.840 -0.134 0.000 0.864 211 L CB -0.189 41.701 42.059 -0.281 0.000 1.067 211 L HN 0.286 nan 8.230 nan 0.000 0.477 212 W N 1.205 122.453 121.300 -0.087 0.000 2.407 212 W HA -0.098 4.570 4.660 0.014 0.000 0.305 212 W C 2.235 178.736 176.519 -0.029 0.000 1.196 212 W CA 0.629 57.938 57.345 -0.060 0.000 1.311 212 W CB 0.203 29.623 29.460 -0.066 0.000 1.135 212 W HN -0.088 nan 8.180 nan 0.000 0.514 213 K N 0.406 120.952 120.400 0.244 0.000 2.585 213 K HA -0.108 4.219 4.320 0.013 0.000 0.194 213 K C 1.316 177.982 176.600 0.111 0.000 1.037 213 K CA 0.640 57.020 56.287 0.155 0.000 0.964 213 K CB -0.090 32.488 32.500 0.131 0.000 0.787 213 K HN -0.035 nan 8.250 nan 0.000 0.488 214 K N 0.550 121.004 120.400 0.090 0.000 2.404 214 K HA 0.166 4.494 4.320 0.013 0.000 0.194 214 K C 0.446 177.064 176.600 0.031 0.000 1.023 214 K CA 0.330 56.645 56.287 0.045 0.000 1.094 214 K CB 0.380 32.888 32.500 0.012 0.000 0.841 214 K HN 0.166 nan 8.250 nan 0.000 0.523 215 I N 1.122 121.730 120.570 0.063 0.000 2.378 215 I HA 0.228 4.406 4.170 0.013 0.000 0.291 215 I C -0.248 175.907 176.117 0.063 0.000 0.992 215 I CA -0.985 60.344 61.300 0.049 0.000 1.154 215 I CB 1.840 39.889 38.000 0.081 0.000 1.315 215 I HN -0.178 nan 8.210 nan 0.000 0.448 216 A N 5.766 128.599 122.820 0.022 0.000 2.310 216 A HA 0.590 4.918 4.320 0.013 0.000 0.300 216 A C 0.129 177.714 177.584 0.001 0.000 1.269 216 A CA -0.000 52.051 52.037 0.024 0.000 0.909 216 A CB -0.122 18.899 19.000 0.036 0.000 1.144 216 A HN 0.895 nan 8.150 nan 0.000 0.540 217 N N 1.025 119.737 118.700 0.021 0.000 3.244 217 N HA -0.170 4.578 4.740 0.013 0.000 0.225 217 N C -0.509 175.019 175.510 0.030 0.000 0.897 217 N CA 0.760 53.816 53.050 0.009 0.000 0.998 217 N CB -0.648 37.831 38.487 -0.014 0.000 1.115 217 N HN 0.673 nan 8.380 nan 0.000 0.545 218 N N 0.319 119.028 118.700 0.015 0.000 2.455 218 N HA 0.228 4.976 4.740 0.013 0.000 0.258 218 N C -0.608 174.888 175.510 -0.025 0.000 1.158 218 N CA 0.031 53.102 53.050 0.035 0.000 0.893 218 N CB -0.487 38.017 38.487 0.029 0.000 1.173 218 N HN 0.468 nan 8.380 nan 0.000 0.503 219 C N 0.624 119.871 119.300 -0.090 0.000 2.417 219 C HA 0.692 5.160 4.460 0.013 0.000 0.324 219 C C -0.540 174.244 174.990 -0.344 0.000 1.240 219 C CA -0.717 58.157 59.018 -0.241 0.000 1.632 219 C CB -0.246 27.299 27.740 -0.324 0.000 2.241 219 C HN 0.310 nan 8.230 nan 0.000 0.499 220 I N 5.673 126.004 120.570 -0.398 0.000 2.548 220 I HA 0.371 4.548 4.170 0.013 0.000 0.287 220 I C -1.030 174.881 176.117 -0.344 0.000 1.103 220 I CA -0.187 60.902 61.300 -0.350 0.000 1.049 220 I CB 1.471 39.370 38.000 -0.169 0.000 1.232 220 I HN 0.467 nan 8.210 nan 0.000 0.429 221 F N 6.508 126.441 119.950 -0.028 0.000 2.384 221 F HA 0.550 5.085 4.527 0.013 0.000 0.338 221 F C 0.298 176.058 175.800 -0.067 0.000 1.103 221 F CA -0.510 57.466 58.000 -0.040 0.000 1.157 221 F CB 0.869 39.846 39.000 -0.038 0.000 1.167 221 F HN 0.115 nan 8.300 nan 0.000 0.529 222 I N 3.246 123.889 120.570 0.122 0.000 2.500 222 I HA 0.247 4.425 4.170 0.013 0.000 0.286 222 I C -1.234 174.843 176.117 -0.066 0.000 1.063 222 I CA -0.856 60.442 61.300 -0.004 0.000 1.062 222 I CB 1.929 39.913 38.000 -0.026 0.000 1.223 222 I HN 0.124 nan 8.210 nan 0.000 0.435 223 V N 6.909 126.719 119.914 -0.174 0.000 2.389 223 V HA 0.349 4.477 4.120 0.013 0.000 0.264 223 V C 0.443 176.502 176.094 -0.058 0.000 1.049 223 V CA -0.172 62.004 62.300 -0.207 0.000 0.932 223 V CB 0.664 32.230 31.823 -0.429 0.000 1.011 223 V HN 0.470 nan 8.190 nan 0.000 0.475 224 I N 5.170 125.639 120.570 -0.169 0.000 2.499 224 I HA 0.473 4.651 4.170 0.013 0.000 0.296 224 I C 0.087 176.102 176.117 -0.170 0.000 0.992 224 I CA -0.424 60.775 61.300 -0.168 0.000 1.297 224 I CB 0.930 38.553 38.000 -0.629 0.000 1.410 224 I HN 0.591 nan 8.210 nan 0.000 0.507 225 H N 4.359 123.370 119.070 -0.099 0.000 2.717 225 H HA 0.572 5.136 4.556 0.013 0.000 0.366 225 H C -1.108 174.202 175.328 -0.030 0.000 1.132 225 H CA -1.014 55.018 56.048 -0.026 0.000 1.180 225 H CB 2.578 32.345 29.762 0.008 0.000 1.678 225 H HN 0.335 nan 8.280 nan 0.000 0.537 226 R N 1.748 122.303 120.500 0.091 0.000 2.512 226 R HA 0.243 4.591 4.340 0.013 0.000 0.291 226 R C -0.011 176.315 176.300 0.045 0.000 1.097 226 R CA 0.294 56.421 56.100 0.045 0.000 0.940 226 R CB 0.994 31.295 30.300 0.002 0.000 1.198 226 R HN 0.901 nan 8.270 nan 0.000 0.429 227 S N 1.860 117.587 115.700 0.047 0.000 4.114 227 S HA -0.296 4.182 4.470 0.013 0.000 0.618 227 S C 1.043 175.673 174.600 0.051 0.000 1.937 227 S CA 1.940 60.165 58.200 0.041 0.000 4.228 227 S CB -1.577 61.640 63.200 0.028 0.000 0.216 227 S HN 0.722 nan 8.310 nan 0.000 0.528 228 T N 2.605 117.182 114.554 0.039 0.000 3.035 228 T HA 0.208 4.566 4.350 0.013 0.000 0.259 228 T C 1.035 175.754 174.700 0.032 0.000 1.078 228 T CA 1.325 63.449 62.100 0.039 0.000 1.132 228 T CB -0.524 68.360 68.868 0.027 0.000 0.900 228 T HN 1.131 nan 8.240 nan 0.000 0.480 229 T N 0.857 115.424 114.554 0.021 0.000 2.903 229 T HA 0.362 4.720 4.350 0.013 0.000 0.314 229 T C -0.044 174.645 174.700 -0.018 0.000 1.078 229 T CA -0.489 61.615 62.100 0.006 0.000 1.114 229 T CB 0.941 69.816 68.868 0.011 0.000 0.987 229 T HN 0.123 nan 8.240 nan 0.000 0.548 230 S N 1.549 117.213 115.700 -0.060 0.000 2.590 230 S HA 0.389 4.866 4.470 0.013 0.000 0.286 230 S C -1.718 172.797 174.600 -0.142 0.000 1.147 230 S CA -0.773 57.307 58.200 -0.200 0.000 0.963 230 S CB 0.975 64.006 63.200 -0.281 0.000 1.124 230 S HN 0.898 nan 8.310 nan 0.000 0.458 231 Q N 2.108 121.835 119.800 -0.120 0.000 2.379 231 Q HA 0.485 4.833 4.340 0.013 0.000 0.278 231 Q C -0.797 175.184 176.000 -0.031 0.000 1.068 231 Q CA -0.986 54.803 55.803 -0.023 0.000 0.816 231 Q CB 2.364 31.161 28.738 0.097 0.000 1.387 231 Q HN 0.662 nan 8.270 nan 0.000 0.413 232 T N 1.283 115.818 114.554 -0.032 0.000 2.788 232 T HA 0.534 4.892 4.350 0.013 0.000 0.280 232 T C -0.151 174.596 174.700 0.079 0.000 0.984 232 T CA -0.283 61.803 62.100 -0.025 0.000 0.972 232 T CB 0.444 69.259 68.868 -0.090 0.000 1.039 232 T HN 0.292 nan 8.240 nan 0.000 0.530 233 I N 1.137 121.784 120.570 0.129 0.000 2.680 233 I HA 0.299 4.477 4.170 0.013 0.000 0.291 233 I C -0.268 175.998 176.117 0.248 0.000 1.244 233 I CA -0.806 60.602 61.300 0.180 0.000 1.042 233 I CB 2.188 40.282 38.000 0.157 0.000 1.277 233 I HN 0.599 nan 8.210 nan 0.000 0.423 234 K N 5.092 125.631 120.400 0.231 0.000 2.297 234 K HA 0.647 4.975 4.320 0.013 0.000 0.286 234 K C -1.305 175.311 176.600 0.027 0.000 1.053 234 K CA -0.176 56.194 56.287 0.139 0.000 0.940 234 K CB 1.046 33.635 32.500 0.148 0.000 1.019 234 K HN 0.437 nan 8.250 nan 0.000 0.475 235 V N 2.515 122.392 119.914 -0.062 0.000 2.962 235 V HA 0.301 4.429 4.120 0.013 0.000 0.313 235 V C -0.640 175.416 176.094 -0.063 0.000 1.099 235 V CA -0.968 61.310 62.300 -0.038 0.000 0.971 235 V CB 2.176 33.984 31.823 -0.024 0.000 1.028 235 V HN 0.956 nan 8.190 nan 0.000 0.430 236 S N 2.399 118.088 115.700 -0.020 0.000 2.480 236 S HA 0.447 4.925 4.470 0.013 0.000 0.286 236 S C -2.134 172.473 174.600 0.011 0.000 1.180 236 S CA -1.470 56.727 58.200 -0.004 0.000 1.075 236 S CB 1.561 64.772 63.200 0.018 0.000 0.996 236 S HN 0.520 nan 8.310 nan 0.000 0.487 237 P HA -0.102 nan 4.420 nan 0.000 0.222 237 P C 0.342 177.668 177.300 0.043 0.000 1.142 237 P CA 1.163 64.268 63.100 0.009 0.000 0.788 237 P CB 0.036 31.747 31.700 0.018 0.000 0.767 238 D N -1.276 119.163 120.400 0.065 0.000 2.369 238 D HA 0.002 4.650 4.640 0.013 0.000 0.211 238 D C 0.144 176.480 176.300 0.060 0.000 1.077 238 D CA 0.304 54.346 54.000 0.069 0.000 0.842 238 D CB 0.123 40.968 40.800 0.076 0.000 0.947 238 D HN 0.376 nan 8.370 nan 0.000 0.509 239 D N 0.892 121.325 120.400 0.056 0.000 2.253 239 D HA 0.111 4.759 4.640 0.013 0.000 0.249 239 D C 0.549 176.895 176.300 0.078 0.000 1.049 239 D CA -0.470 53.565 54.000 0.058 0.000 0.929 239 D CB 0.830 41.658 40.800 0.047 0.000 1.176 239 D HN -0.192 nan 8.370 nan 0.000 0.437 240 T N -2.031 112.572 114.554 0.082 0.000 2.849 240 T HA 0.307 4.665 4.350 0.013 0.000 0.284 240 T C -1.741 173.016 174.700 0.095 0.000 1.004 240 T CA -1.472 60.695 62.100 0.112 0.000 1.021 240 T CB 1.068 69.996 68.868 0.098 0.000 1.013 240 T HN 0.121 nan 8.240 nan 0.000 0.527 241 P HA 0.020 nan 4.420 nan 0.000 0.218 241 P C 1.779 179.109 177.300 0.051 0.000 1.148 241 P CA 1.185 64.312 63.100 0.044 0.000 0.822 241 P CB -0.406 31.318 31.700 0.040 0.000 0.784 242 G N 0.002 108.844 108.800 0.069 0.000 2.408 242 G HA2 -0.200 3.768 3.960 0.013 0.000 0.217 242 G HA3 -0.200 3.768 3.960 0.013 0.000 0.217 242 G C 1.642 176.582 174.900 0.066 0.000 1.150 242 G CA 0.852 45.992 45.100 0.066 0.000 0.776 242 G HN 0.308 nan 8.290 nan 0.000 0.542 243 A N 1.084 123.942 122.820 0.063 0.000 1.877 243 A HA 0.025 4.353 4.320 0.013 0.000 0.216 243 A C 2.365 179.989 177.584 0.067 0.000 1.186 243 A CA 1.319 53.392 52.037 0.060 0.000 0.620 243 A CB -0.412 18.621 19.000 0.055 0.000 0.822 243 A HN 0.364 nan 8.150 nan 0.000 0.443 244 I N -0.316 120.290 120.570 0.061 0.000 2.423 244 I HA -0.263 3.915 4.170 0.013 0.000 0.254 244 I C 2.307 178.485 176.117 0.101 0.000 1.151 244 I CA 0.858 62.197 61.300 0.065 0.000 1.421 244 I CB -0.384 37.631 38.000 0.025 0.000 1.079 244 I HN 0.312 nan 8.210 nan 0.000 0.431 245 L N 0.037 121.316 121.223 0.094 0.000 1.988 245 L HA -0.229 4.119 4.340 0.013 0.000 0.207 245 L C 2.643 179.616 176.870 0.171 0.000 1.071 245 L CA 1.591 56.513 54.840 0.135 0.000 0.744 245 L CB -0.579 41.546 42.059 0.109 0.000 0.893 245 L HN 0.225 nan 8.230 nan 0.000 0.433 246 Q N -0.989 118.880 119.800 0.116 0.000 2.226 246 Q HA -0.187 4.161 4.340 0.013 0.000 0.204 246 Q C 2.341 178.392 176.000 0.084 0.000 0.975 246 Q CA 1.520 57.377 55.803 0.090 0.000 0.866 246 Q CB -0.152 28.626 28.738 0.066 0.000 0.915 246 Q HN 0.346 nan 8.270 nan 0.000 0.440 247 S N -0.683 115.078 115.700 0.102 0.000 2.474 247 S HA -0.068 4.410 4.470 0.013 0.000 0.235 247 S C 0.314 174.996 174.600 0.137 0.000 0.997 247 S CA 0.342 58.600 58.200 0.098 0.000 0.949 247 S CB 0.072 63.330 63.200 0.097 0.000 0.766 247 S HN 0.310 nan 8.310 nan 0.000 0.517 270 F N 0.304 120.269 119.950 0.025 0.000 2.679 270 F HA 0.803 5.337 4.527 0.012 0.000 0.341 270 F C 0.089 175.901 175.800 0.020 0.000 1.095 270 F CA -1.087 56.929 58.000 0.026 0.000 1.004 270 F CB 1.700 40.724 39.000 0.041 0.000 1.388 270 F HN 0.057 nan 8.300 nan 0.000 0.505 271 V N 1.197 121.255 119.914 0.240 0.000 3.188 271 V HA 0.539 4.667 4.120 0.013 0.000 0.305 271 V C -1.633 174.539 176.094 0.130 0.000 1.232 271 V CA -0.990 61.394 62.300 0.141 0.000 1.043 271 V CB 2.542 34.417 31.823 0.087 0.000 1.068 271 V HN 0.565 nan 8.190 nan 0.000 0.439 272 L N 4.736 126.004 121.223 0.075 0.000 2.288 272 L HA 0.597 4.945 4.340 0.013 0.000 0.283 272 L C 0.251 177.122 176.870 0.002 0.000 1.072 272 L CA -0.127 54.716 54.840 0.006 0.000 0.862 272 L CB 0.751 42.770 42.059 -0.066 0.000 1.245 272 L HN 0.553 nan 8.230 nan 0.000 0.432 273 R N 2.363 122.844 120.500 -0.032 0.000 2.428 273 R HA 0.534 4.882 4.340 0.013 0.000 0.294 273 R C -0.617 175.532 176.300 -0.251 0.000 1.000 273 R CA -0.658 55.292 56.100 -0.250 0.000 0.960 273 R CB 1.620 31.707 30.300 -0.355 0.000 1.076 273 R HN 0.304 nan 8.270 nan 0.000 0.475 274 V N 3.878 123.579 119.914 -0.355 0.000 2.843 274 V HA -0.001 4.127 4.120 0.013 0.000 0.305 274 V C 0.302 176.233 176.094 -0.271 0.000 1.065 274 V CA -0.453 61.667 62.300 -0.299 0.000 1.116 274 V CB 0.900 32.355 31.823 -0.613 0.000 0.968 274 V HN 0.863 nan 8.190 nan 0.000 0.487 275 C N 4.388 123.597 119.300 -0.152 0.000 2.629 275 C HA 0.495 4.963 4.460 0.013 0.000 0.410 275 C C 1.616 176.512 174.990 -0.156 0.000 1.339 275 C CA 0.629 59.554 59.018 -0.154 0.000 1.810 275 C CB -0.827 26.822 27.740 -0.152 0.000 2.549 275 C HN 1.333 nan 8.230 nan 0.000 0.589 276 G N 3.627 112.329 108.800 -0.164 0.000 2.205 276 G HA2 -0.215 3.753 3.960 0.013 0.000 0.261 276 G HA3 -0.215 3.753 3.960 0.013 0.000 0.261 276 G C 0.063 174.839 174.900 -0.206 0.000 0.980 276 G CA 0.128 45.138 45.100 -0.150 0.000 0.632 276 G HN 0.761 nan 8.290 nan 0.000 0.533 277 R N -0.179 120.146 120.500 -0.293 0.000 2.740 277 R HA 0.448 4.796 4.340 0.013 0.000 0.282 277 R C -1.022 175.048 176.300 -0.384 0.000 0.969 277 R CA -0.733 55.150 56.100 -0.363 0.000 0.918 277 R CB 1.215 31.188 30.300 -0.545 0.000 1.175 277 R HN 0.075 nan 8.270 nan 0.000 0.464 278 D N 1.623 121.833 120.400 -0.317 0.000 3.032 278 D HA 0.012 4.660 4.640 0.013 0.000 0.241 278 D C -0.736 175.382 176.300 -0.304 0.000 1.196 278 D CA 0.230 54.058 54.000 -0.286 0.000 0.927 278 D CB 0.107 40.826 40.800 -0.136 0.000 1.129 278 D HN 0.258 nan 8.370 nan 0.000 0.458 279 E N 0.396 120.269 120.200 -0.544 0.000 2.238 279 E HA 0.383 4.741 4.350 0.013 0.000 0.267 279 E C -1.650 174.559 176.600 -0.652 0.000 0.887 279 E CA -0.733 55.397 56.400 -0.450 0.000 0.769 279 E CB 0.767 30.213 29.700 -0.423 0.000 1.187 279 E HN 0.111 nan 8.360 nan 0.000 0.416 280 Y N 2.539 122.710 120.300 -0.214 0.000 2.446 280 Y HA 0.420 4.978 4.550 0.013 0.000 0.345 280 Y C -0.359 175.457 175.900 -0.141 0.000 0.984 280 Y CA -0.937 57.056 58.100 -0.178 0.000 1.058 280 Y CB 1.617 39.964 38.460 -0.188 0.000 1.220 280 Y HN 0.351 nan 8.280 nan 0.000 0.455 281 L N 4.940 126.113 121.223 -0.084 0.000 2.407 281 L HA 0.520 4.867 4.340 0.013 0.000 0.261 281 L C -1.019 175.737 176.870 -0.190 0.000 1.108 281 L CA -0.404 54.177 54.840 -0.433 0.000 0.995 281 L CB -0.408 41.320 42.059 -0.552 0.000 1.349 281 L HN 0.362 nan 8.230 nan 0.000 0.423 282 V N 0.273 120.250 119.914 0.105 0.000 3.130 282 V HA 0.963 5.091 4.120 0.013 0.000 0.310 282 V C 0.327 176.608 176.094 0.312 0.000 1.158 282 V CA -0.654 61.747 62.300 0.169 0.000 1.029 282 V CB 1.858 33.729 31.823 0.080 0.000 1.057 282 V HN 0.761 nan 8.190 nan 0.000 0.436 283 G N 1.451 110.371 108.800 0.201 0.000 2.555 283 G HA2 -0.008 3.960 3.960 0.013 0.000 0.686 283 G HA3 -0.008 3.960 3.960 0.013 0.000 0.686 283 G C -0.699 174.292 174.900 0.151 0.000 1.275 283 G CA -0.742 44.454 45.100 0.160 0.000 0.871 283 G HN 0.646 nan 8.290 nan 0.000 0.603 284 E N 1.255 121.507 120.200 0.087 0.000 2.261 284 E HA 0.328 4.686 4.350 0.013 0.000 0.308 284 E C 0.845 177.471 176.600 0.042 0.000 1.400 284 E CA 0.741 57.182 56.400 0.069 0.000 1.542 284 E CB -0.141 29.587 29.700 0.047 0.000 1.369 284 E HN 0.918 nan 8.360 nan 0.000 0.493 285 T N -2.276 112.310 114.554 0.054 0.000 2.909 285 T HA 0.546 4.904 4.350 0.013 0.000 0.299 285 T C -2.870 171.869 174.700 0.065 0.000 1.073 285 T CA -2.713 59.369 62.100 -0.030 0.000 0.999 285 T CB 2.307 71.026 68.868 -0.248 0.000 1.098 285 T HN -0.209 nan 8.240 nan 0.000 0.477 286 P HA 0.148 nan 4.420 nan 0.000 0.267 286 P C 0.820 178.246 177.300 0.209 0.000 1.201 286 P CA -0.459 62.696 63.100 0.092 0.000 0.775 286 P CB 0.360 32.083 31.700 0.038 0.000 0.854 287 I N 2.827 123.530 120.570 0.222 0.000 2.567 287 I HA -0.218 3.960 4.170 0.013 0.000 0.257 287 I C 1.866 178.121 176.117 0.231 0.000 1.184 287 I CA 1.551 63.018 61.300 0.279 0.000 1.451 287 I CB -0.594 37.459 38.000 0.089 0.000 1.089 287 I HN 0.339 nan 8.210 nan 0.000 0.441 288 K N -0.883 119.565 120.400 0.080 0.000 2.296 288 K HA 0.005 4.332 4.320 0.013 0.000 0.200 288 K C 0.915 177.483 176.600 -0.054 0.000 1.048 288 K CA 0.997 57.257 56.287 -0.045 0.000 0.966 288 K CB -0.292 32.118 32.500 -0.151 0.000 0.754 288 K HN 0.137 nan 8.250 nan 0.000 0.466 289 N N 0.512 119.185 118.700 -0.045 0.000 2.346 289 N HA 0.155 4.903 4.740 0.013 0.000 0.225 289 N C -1.377 173.945 175.510 -0.313 0.000 1.144 289 N CA 0.057 53.003 53.050 -0.173 0.000 0.837 289 N CB -0.066 38.300 38.487 -0.202 0.000 1.069 289 N HN 0.100 nan 8.380 nan 0.000 0.487 290 F N 0.294 120.191 119.950 -0.088 0.000 2.443 290 F HA 0.294 4.829 4.527 0.013 0.000 0.335 290 F C 1.659 177.351 175.800 -0.179 0.000 1.104 290 F CA -0.807 57.140 58.000 -0.088 0.000 1.013 290 F CB 1.665 40.662 39.000 -0.004 0.000 1.136 290 F HN -0.133 nan 8.300 nan 0.000 0.470 291 Q N 2.633 122.319 119.800 -0.190 0.000 2.119 291 Q HA -0.229 4.119 4.340 0.013 0.000 0.201 291 Q C 2.126 178.015 176.000 -0.184 0.000 0.972 291 Q CA 1.377 56.889 55.803 -0.485 0.000 0.847 291 Q CB -0.318 27.502 28.738 -1.530 0.000 0.903 291 Q HN 0.872 nan 8.270 nan 0.000 0.433 292 W N 0.943 122.149 121.300 -0.156 0.000 2.388 292 W HA -0.133 4.535 4.660 0.014 0.000 0.294 292 W C 1.611 178.151 176.519 0.034 0.000 1.212 292 W CA 0.958 58.303 57.345 -0.000 0.000 1.271 292 W CB 0.283 29.770 29.460 0.045 0.000 1.126 292 W HN -0.083 nan 8.180 nan 0.000 0.535 293 V N 1.564 121.491 119.914 0.022 0.000 2.358 293 V HA -0.274 3.854 4.120 0.013 0.000 0.246 293 V C 2.484 178.474 176.094 -0.173 0.000 1.047 293 V CA 1.955 64.195 62.300 -0.100 0.000 1.035 293 V CB -0.773 31.052 31.823 0.002 0.000 0.658 293 V HN 0.120 nan 8.190 nan 0.000 0.452 294 R N -0.883 119.537 120.500 -0.133 0.000 2.115 294 R HA -0.142 4.206 4.340 0.013 0.000 0.230 294 R C 2.340 178.556 176.300 -0.140 0.000 1.111 294 R CA 1.372 57.382 56.100 -0.149 0.000 0.976 294 R CB -0.579 29.636 30.300 -0.140 0.000 0.870 294 R HN 0.687 nan 8.270 nan 0.000 0.445 295 H N 0.373 119.286 119.070 -0.262 0.000 2.353 295 H HA -0.127 4.437 4.556 0.013 0.000 0.300 295 H C 1.761 176.888 175.328 -0.335 0.000 1.090 295 H CA 1.684 57.566 56.048 -0.277 0.000 1.327 295 H CB 0.128 29.692 29.762 -0.330 0.000 1.383 295 H HN 0.205 nan 8.280 nan 0.000 0.508 296 C N 1.008 119.923 119.300 -0.641 0.000 2.436 296 C HA -0.117 4.351 4.460 0.013 0.000 0.277 296 C C 3.156 177.930 174.990 -0.359 0.000 1.241 296 C CA 0.719 59.375 59.018 -0.603 0.000 1.721 296 C CB -1.109 26.337 27.740 -0.490 0.000 2.043 296 C HN 0.504 nan 8.230 nan 0.000 0.472 297 L N 1.013 122.082 121.223 -0.257 0.000 2.012 297 L HA -0.224 4.124 4.340 0.013 0.000 0.210 297 L C 2.681 179.475 176.870 -0.127 0.000 1.073 297 L CA 1.943 56.684 54.840 -0.164 0.000 0.748 297 L CB -0.864 41.100 42.059 -0.157 0.000 0.891 297 L HN 0.424 nan 8.230 nan 0.000 0.431 298 K N 0.592 120.919 120.400 -0.122 0.000 2.020 298 K HA -0.213 4.115 4.320 0.013 0.000 0.212 298 K C 1.638 178.185 176.600 -0.089 0.000 1.050 298 K CA 2.141 58.398 56.287 -0.050 0.000 0.929 298 K CB -0.072 32.426 32.500 -0.004 0.000 0.714 298 K HN 0.247 nan 8.250 nan 0.000 0.443 299 N N -0.198 118.386 118.700 -0.192 0.000 2.521 299 N HA 0.027 4.775 4.740 0.013 0.000 0.188 299 N C 0.486 175.914 175.510 -0.137 0.000 1.146 299 N CA 1.051 53.994 53.050 -0.177 0.000 0.893 299 N CB 0.393 38.704 38.487 -0.295 0.000 0.975 299 N HN 0.515 nan 8.380 nan 0.000 0.451 300 G N 0.644 109.368 108.800 -0.127 0.000 2.221 300 G HA2 -0.332 3.636 3.960 0.013 0.000 0.265 300 G HA3 -0.332 3.636 3.960 0.013 0.000 0.265 300 G C -0.040 174.810 174.900 -0.084 0.000 1.041 300 G CA 0.459 45.510 45.100 -0.081 0.000 0.807 300 G HN 0.494 nan 8.290 nan 0.000 0.502 301 E N 0.245 120.357 120.200 -0.146 0.000 2.280 301 E HA 0.524 4.882 4.350 0.013 0.000 0.261 301 E C 0.558 177.119 176.600 -0.065 0.000 1.088 301 E CA -0.591 55.737 56.400 -0.120 0.000 0.915 301 E CB 0.460 30.032 29.700 -0.213 0.000 1.141 301 E HN 0.542 nan 8.360 nan 0.000 0.433 302 E N 2.119 122.339 120.200 0.034 0.000 2.179 302 E HA 0.312 4.670 4.350 0.013 0.000 0.275 302 E C -0.397 176.335 176.600 0.218 0.000 0.945 302 E CA -0.627 55.850 56.400 0.129 0.000 0.792 302 E CB 1.187 31.032 29.700 0.243 0.000 1.125 302 E HN 0.383 nan 8.360 nan 0.000 0.397 303 I N 3.906 124.528 120.570 0.087 0.000 2.406 303 I HA 0.072 4.250 4.170 0.013 0.000 0.293 303 I C 0.151 176.322 176.117 0.089 0.000 1.101 303 I CA -0.052 61.307 61.300 0.099 0.000 1.334 303 I CB -0.236 37.775 38.000 0.019 0.000 1.421 303 I HN 0.358 nan 8.210 nan 0.000 0.513 304 H N 6.193 125.345 119.070 0.137 0.000 2.511 304 H HA 0.497 5.061 4.556 0.014 0.000 0.328 304 H C -0.553 174.798 175.328 0.037 0.000 1.044 304 H CA -0.671 55.439 56.048 0.103 0.000 1.212 304 H CB 2.179 31.955 29.762 0.024 0.000 1.428 304 H HN 0.440 nan 8.280 nan 0.000 0.483 305 V N 1.385 121.362 119.914 0.105 0.000 2.735 305 V HA 0.504 4.632 4.120 0.013 0.000 0.310 305 V C -0.360 175.745 176.094 0.019 0.000 1.061 305 V CA -0.899 61.408 62.300 0.012 0.000 0.913 305 V CB 1.855 33.662 31.823 -0.028 0.000 1.005 305 V HN 0.412 nan 8.190 nan 0.000 0.428 306 V N 5.752 125.642 119.914 -0.041 0.000 2.427 306 V HA 0.564 4.692 4.120 0.013 0.000 0.286 306 V C -0.200 175.891 176.094 -0.005 0.000 1.034 306 V CA -0.693 61.605 62.300 -0.003 0.000 0.893 306 V CB 1.446 33.250 31.823 -0.030 0.000 0.982 306 V HN 1.020 nan 8.190 nan 0.000 0.452 307 L N 7.911 129.129 121.223 -0.008 0.000 2.283 307 L HA 0.556 4.904 4.340 0.013 0.000 0.287 307 L C -0.625 176.295 176.870 0.083 0.000 1.073 307 L CA 0.125 54.964 54.840 -0.001 0.000 0.822 307 L CB 0.364 42.361 42.059 -0.103 0.000 1.186 307 L HN 0.930 nan 8.230 nan 0.000 0.436 308 D N 1.587 122.112 120.400 0.209 0.000 2.752 308 D HA 0.302 4.950 4.640 0.013 0.000 0.313 308 D C -0.607 175.900 176.300 0.345 0.000 1.225 308 D CA -0.457 53.733 54.000 0.317 0.000 0.976 308 D CB 1.000 41.906 40.800 0.176 0.000 1.443 308 D HN 0.374 nan 8.370 nan 0.000 0.515 309 T N -2.565 112.111 114.554 0.203 0.000 2.899 309 T HA 0.544 4.902 4.350 0.013 0.000 0.295 309 T C -2.379 172.325 174.700 0.006 0.000 1.033 309 T CA -1.137 60.962 62.100 -0.001 0.000 1.084 309 T CB 0.463 69.272 68.868 -0.099 0.000 0.979 309 T HN 0.150 nan 8.240 nan 0.000 0.532 310 P HA 0.290 nan 4.420 nan 0.000 0.268 310 P C -2.416 174.808 177.300 -0.127 0.000 1.205 310 P CA -1.152 61.862 63.100 -0.144 0.000 0.771 310 P CB -0.680 30.928 31.700 -0.152 0.000 0.858 311 P HA 0.035 nan 4.420 nan 0.000 0.267 311 P C -0.442 176.808 177.300 -0.083 0.000 1.205 311 P CA 0.152 63.194 63.100 -0.096 0.000 0.765 311 P CB 0.136 31.769 31.700 -0.111 0.000 0.828 312 D N 4.668 125.037 120.400 -0.051 0.000 2.389 312 D HA 0.010 4.658 4.640 0.013 0.000 0.263 312 D C -1.426 174.857 176.300 -0.029 0.000 1.255 312 D CA -1.614 52.361 54.000 -0.042 0.000 0.914 312 D CB 0.295 41.076 40.800 -0.033 0.000 1.116 312 D HN 0.159 nan 8.370 nan 0.000 0.502 313 P HA -0.124 nan 4.420 nan 0.000 0.223 313 P C 0.849 178.157 177.300 0.012 0.000 1.144 313 P CA 1.023 64.126 63.100 0.005 0.000 0.783 313 P CB 0.163 31.865 31.700 0.003 0.000 0.771 314 A N -0.401 122.416 122.820 -0.006 0.000 1.972 314 A HA -0.144 4.184 4.320 0.013 0.000 0.219 314 A C 1.991 179.573 177.584 -0.004 0.000 1.169 314 A CA 1.169 53.201 52.037 -0.008 0.000 0.635 314 A CB -1.576 17.413 19.000 -0.018 0.000 0.810 314 A HN 0.167 nan 8.150 nan 0.000 0.446 315 L N -0.292 120.928 121.223 -0.004 0.000 2.447 315 L HA -0.150 4.198 4.340 0.013 0.000 0.225 315 L C 0.843 177.721 176.870 0.014 0.000 1.148 315 L CA 0.883 55.721 54.840 -0.005 0.000 0.808 315 L CB -0.333 41.719 42.059 -0.011 0.000 0.928 315 L HN 0.270 nan 8.230 nan 0.000 0.448 316 D N -0.604 119.821 120.400 0.042 0.000 2.340 316 D HA -0.002 4.646 4.640 0.013 0.000 0.217 316 D C 0.732 177.065 176.300 0.055 0.000 1.081 316 D CA 0.059 54.115 54.000 0.093 0.000 0.842 316 D CB 0.168 41.099 40.800 0.219 0.000 0.934 316 D HN 0.369 nan 8.370 nan 0.000 0.511 317 E N 0.822 121.032 120.200 0.017 0.000 2.508 317 E HA 0.013 4.371 4.350 0.013 0.000 0.266 317 E C -0.663 175.929 176.600 -0.014 0.000 1.010 317 E CA 0.259 56.654 56.400 -0.009 0.000 0.955 317 E CB 0.805 30.493 29.700 -0.020 0.000 0.946 317 E HN -0.224 nan 8.360 nan 0.000 0.454 318 V N 5.013 124.906 119.914 -0.035 0.000 2.495 318 V HA 0.249 4.377 4.120 0.013 0.000 0.298 318 V C 0.331 176.382 176.094 -0.071 0.000 1.031 318 V CA -0.681 61.595 62.300 -0.040 0.000 0.871 318 V CB 1.489 33.283 31.823 -0.049 0.000 0.988 318 V HN 0.718 nan 8.190 nan 0.000 0.432 319 R N 3.887 124.323 120.500 -0.106 0.000 2.494 319 R HA 0.032 4.380 4.340 0.013 0.000 0.291 319 R C 0.418 176.617 176.300 -0.169 0.000 0.953 319 R CA 0.256 56.236 56.100 -0.201 0.000 1.098 319 R CB 0.264 30.295 30.300 -0.449 0.000 0.911 319 R HN 0.658 nan 8.270 nan 0.000 0.407 358 D N 1.547 121.956 120.400 0.016 0.000 2.340 358 D HA 0.144 4.792 4.640 0.013 0.000 0.217 358 D C 0.735 177.045 176.300 0.015 0.000 1.081 358 D CA 0.161 54.170 54.000 0.014 0.000 0.842 358 D CB 0.075 40.879 40.800 0.007 0.000 0.934 358 D HN 0.450 nan 8.370 nan 0.000 0.511 359 R N 0.785 121.294 120.500 0.016 0.000 2.594 359 R HA 0.191 4.539 4.340 0.013 0.000 0.272 359 R C 0.436 176.759 176.300 0.039 0.000 1.074 359 R CA -0.357 55.749 56.100 0.009 0.000 1.105 359 R CB 0.725 31.017 30.300 -0.012 0.000 1.008 359 R HN -0.116 nan 8.270 nan 0.000 0.472 360 K N 2.645 123.067 120.400 0.037 0.000 2.368 360 K HA 0.003 4.331 4.320 0.013 0.000 0.282 360 K C 0.023 176.701 176.600 0.129 0.000 1.035 360 K CA -0.010 56.332 56.287 0.093 0.000 0.973 360 K CB 0.247 32.793 32.500 0.075 0.000 0.957 360 K HN 0.422 nan 8.250 nan 0.000 0.474 361 F N 4.120 124.114 119.950 0.073 0.000 2.572 361 F HA -0.011 4.524 4.527 0.013 0.000 0.370 361 F C 0.614 176.544 175.800 0.218 0.000 1.103 361 F CA 0.188 58.238 58.000 0.084 0.000 1.286 361 F CB 0.557 39.553 39.000 -0.005 0.000 1.105 361 F HN 0.544 nan 8.300 nan 0.000 0.583 362 R N 5.163 125.184 120.500 -0.798 0.000 2.668 362 R HA 0.787 5.135 4.340 0.013 0.000 0.272 362 R C -2.443 173.582 176.300 -0.458 0.000 1.019 362 R CA -1.159 54.707 56.100 -0.391 0.000 0.894 362 R CB 1.789 32.013 30.300 -0.127 0.000 1.228 362 R HN 0.628 nan 8.270 nan 0.000 0.460 363 V N 2.129 122.067 119.914 0.039 0.000 2.686 363 V HA 0.440 4.568 4.120 0.013 0.000 0.306 363 V C -1.110 175.021 176.094 0.063 0.000 1.065 363 V CA -0.854 61.515 62.300 0.114 0.000 0.894 363 V CB 1.983 33.901 31.823 0.159 0.000 1.004 363 V HN 0.892 nan 8.190 nan 0.000 0.424 364 K N 7.052 127.231 120.400 -0.368 0.000 2.258 364 K HA 0.474 4.802 4.320 0.013 0.000 0.284 364 K C -0.774 175.615 176.600 -0.352 0.000 1.051 364 K CA -0.641 55.183 56.287 -0.771 0.000 0.923 364 K CB 0.913 32.425 32.500 -1.646 0.000 1.046 364 K HN 0.636 nan 8.250 nan 0.000 0.474 365 I N 6.781 127.204 120.570 -0.244 0.000 2.282 365 I HA 0.136 4.314 4.170 0.013 0.000 0.290 365 I C 1.326 177.415 176.117 -0.046 0.000 1.090 365 I CA -0.169 61.057 61.300 -0.122 0.000 1.231 365 I CB 0.598 38.509 38.000 -0.148 0.000 1.434 365 I HN 0.777 nan 8.210 nan 0.000 0.487 366 R N 3.846 124.315 120.500 -0.051 0.000 2.066 366 R HA 0.128 4.476 4.340 0.013 0.000 0.232 366 R C 0.998 177.358 176.300 0.100 0.000 1.131 366 R CA 0.887 56.978 56.100 -0.014 0.000 0.955 366 R CB 0.074 30.346 30.300 -0.046 0.000 0.851 366 R HN 0.771 nan 8.270 nan 0.000 0.432 367 G N 0.359 109.243 108.800 0.141 0.000 2.324 367 G HA2 0.313 4.281 3.960 0.013 0.000 0.293 367 G HA3 0.313 4.281 3.960 0.013 0.000 0.293 367 G C -1.616 173.380 174.900 0.159 0.000 1.297 367 G CA -0.706 44.542 45.100 0.247 0.000 0.853 367 G HN 0.200 nan 8.290 nan 0.000 0.535 368 I N -2.218 118.449 120.570 0.163 0.000 2.608 368 I HA 0.807 4.985 4.170 0.013 0.000 0.295 368 I C -1.728 174.394 176.117 0.008 0.000 1.049 368 I CA -1.025 60.312 61.300 0.062 0.000 1.063 368 I CB 2.669 40.724 38.000 0.090 0.000 1.248 368 I HN 0.225 nan 8.210 nan 0.000 0.424 369 D N 6.407 126.776 120.400 -0.053 0.000 2.649 369 D HA 0.598 5.246 4.640 0.013 0.000 0.249 369 D C -1.032 175.224 176.300 -0.074 0.000 1.112 369 D CA -0.052 53.916 54.000 -0.053 0.000 0.850 369 D CB 3.250 44.014 40.800 -0.061 0.000 1.399 369 D HN 0.680 nan 8.370 nan 0.000 0.503 370 I N 2.212 122.753 120.570 -0.048 0.000 2.534 370 I HA 0.243 4.421 4.170 0.013 0.000 0.288 370 I C -2.006 174.087 176.117 -0.041 0.000 1.077 370 I CA -2.601 58.665 61.300 -0.056 0.000 1.051 370 I CB 2.932 40.891 38.000 -0.068 0.000 1.234 370 I HN -0.002 nan 8.210 nan 0.000 0.425 371 P HA -0.077 nan 4.420 nan 0.000 0.216 371 P C -0.485 176.795 177.300 -0.034 0.000 1.150 371 P CA 1.042 64.127 63.100 -0.025 0.000 0.837 371 P CB 0.139 31.830 31.700 -0.014 0.000 0.786 372 V N -0.539 119.354 119.914 -0.035 0.000 2.752 372 V HA 0.227 4.355 4.120 0.013 0.000 0.302 372 V C -0.585 175.478 176.094 -0.052 0.000 1.133 372 V CA -1.023 61.250 62.300 -0.045 0.000 0.919 372 V CB 1.944 33.751 31.823 -0.027 0.000 1.026 372 V HN -0.171 nan 8.190 nan 0.000 0.429 373 L N 3.941 125.095 121.223 -0.114 0.000 2.344 373 L HA 0.927 5.275 4.340 0.013 0.000 0.272 373 L C -2.315 174.486 176.870 -0.114 0.000 1.035 373 L CA -1.765 52.979 54.840 -0.160 0.000 0.807 373 L CB -0.563 41.213 42.059 -0.471 0.000 1.237 373 L HN 0.348 nan 8.230 nan 0.000 0.442 374 P HA 0.065 nan 4.420 nan 0.000 0.267 374 P C -0.349 176.925 177.300 -0.044 0.000 1.195 374 P CA -0.105 62.987 63.100 -0.014 0.000 0.773 374 P CB 0.268 31.991 31.700 0.038 0.000 0.837 375 R N 0.181 120.670 120.500 -0.019 0.000 2.535 375 R HA 0.070 4.418 4.340 0.013 0.000 0.233 375 R C 0.031 176.326 176.300 -0.010 0.000 1.202 375 R CA 0.168 56.256 56.100 -0.020 0.000 1.205 375 R CB -1.488 28.807 30.300 -0.008 0.000 1.153 375 R HN 0.142 nan 8.270 nan 0.000 0.512 376 N N 0.654 119.351 118.700 -0.006 0.000 2.767 376 N HA 0.104 4.852 4.740 0.013 0.000 0.238 376 N C -1.210 174.310 175.510 0.016 0.000 1.083 376 N CA -0.174 52.887 53.050 0.019 0.000 0.964 376 N CB 0.652 39.169 38.487 0.050 0.000 1.252 376 N HN 0.135 nan 8.380 nan 0.000 0.512 377 T N 1.663 116.222 114.554 0.008 0.000 2.799 377 T HA 0.275 4.633 4.350 0.013 0.000 0.286 377 T C -0.757 173.960 174.700 0.029 0.000 0.973 377 T CA -0.340 61.766 62.100 0.010 0.000 1.035 377 T CB 1.038 69.902 68.868 -0.006 0.000 0.932 377 T HN 0.390 nan 8.240 nan 0.000 0.469 378 D N 2.271 122.697 120.400 0.044 0.000 2.819 378 D HA 0.642 5.290 4.640 0.013 0.000 0.232 378 D C -0.879 175.479 176.300 0.097 0.000 1.160 378 D CA -0.517 53.518 54.000 0.057 0.000 0.858 378 D CB 1.217 42.041 40.800 0.042 0.000 1.610 378 D HN 0.321 nan 8.370 nan 0.000 0.481 379 L N 0.564 121.881 121.223 0.156 0.000 2.171 379 L HA 0.695 5.043 4.340 0.013 0.000 0.253 379 L C -0.012 176.992 176.870 0.224 0.000 1.054 379 L CA -0.950 54.005 54.840 0.191 0.000 0.927 379 L CB 2.192 44.389 42.059 0.229 0.000 1.513 379 L HN 0.356 nan 8.230 nan 0.000 0.471 380 T N 0.333 114.995 114.554 0.179 0.000 2.907 380 T HA 0.698 5.056 4.350 0.013 0.000 0.292 380 T C -1.473 173.262 174.700 0.058 0.000 1.043 380 T CA -0.488 61.703 62.100 0.152 0.000 1.003 380 T CB 1.593 70.553 68.868 0.153 0.000 1.084 380 T HN 0.450 nan 8.240 nan 0.000 0.483 381 V N 2.552 122.488 119.914 0.037 0.000 2.789 381 V HA 0.974 5.102 4.120 0.013 0.000 0.311 381 V C -1.027 175.206 176.094 0.231 0.000 1.073 381 V CA -1.228 61.018 62.300 -0.090 0.000 0.921 381 V CB 1.174 32.737 31.823 -0.434 0.000 1.009 381 V HN 0.917 nan 8.190 nan 0.000 0.426 382 F N 1.759 121.784 119.950 0.125 0.000 2.588 382 F HA 0.956 5.491 4.527 0.013 0.000 0.314 382 F C -0.963 174.782 175.800 -0.093 0.000 1.069 382 F CA -1.316 56.704 58.000 0.033 0.000 0.931 382 F CB 1.851 40.860 39.000 0.015 0.000 1.260 382 F HN 0.413 nan 8.300 nan 0.000 0.465 383 V N 1.516 121.374 119.914 -0.094 0.000 2.481 383 V HA 0.334 4.462 4.120 0.013 0.000 0.286 383 V C -0.481 175.713 176.094 0.166 0.000 1.042 383 V CA -0.592 61.659 62.300 -0.082 0.000 0.928 383 V CB 1.363 32.981 31.823 -0.342 0.000 0.986 383 V HN 0.889 nan 8.190 nan 0.000 0.462 384 E N 3.140 123.502 120.200 0.270 0.000 2.129 384 E HA 0.662 5.020 4.350 0.013 0.000 0.268 384 E C -0.653 176.067 176.600 0.201 0.000 0.900 384 E CA -0.684 55.888 56.400 0.287 0.000 0.755 384 E CB 1.468 31.455 29.700 0.479 0.000 1.117 384 E HN 0.837 nan 8.360 nan 0.000 0.410 385 A N 5.439 128.372 122.820 0.188 0.000 2.256 385 A HA 0.400 4.728 4.320 0.013 0.000 0.317 385 A C -0.773 177.018 177.584 0.345 0.000 1.318 385 A CA -0.833 51.367 52.037 0.271 0.000 0.894 385 A CB 0.463 19.703 19.000 0.399 0.000 1.165 385 A HN 0.679 nan 8.150 nan 0.000 0.525 386 N N 2.336 121.154 118.700 0.197 0.000 2.399 386 N HA 0.390 5.138 4.740 0.013 0.000 0.295 386 N C -0.914 174.582 175.510 -0.022 0.000 1.048 386 N CA -0.300 52.830 53.050 0.134 0.000 0.886 386 N CB 2.012 40.547 38.487 0.079 0.000 1.185 386 N HN 0.549 nan 8.380 nan 0.000 0.487 387 I N 2.259 122.763 120.570 -0.111 0.000 2.281 387 I HA 0.113 4.291 4.170 0.013 0.000 0.293 387 I C 0.515 176.552 176.117 -0.133 0.000 1.085 387 I CA -0.164 60.980 61.300 -0.261 0.000 1.257 387 I CB 0.305 38.032 38.000 -0.455 0.000 1.430 387 I HN 0.231 nan 8.210 nan 0.000 0.489 388 Q N 4.794 124.527 119.800 -0.111 0.000 2.215 388 Q HA 0.457 4.805 4.340 0.013 0.000 0.256 388 Q C -0.505 175.481 176.000 -0.023 0.000 0.972 388 Q CA -0.682 55.082 55.803 -0.066 0.000 0.889 388 Q CB 2.415 31.105 28.738 -0.080 0.000 1.281 388 Q HN 0.488 nan 8.270 nan 0.000 0.456 389 H N -0.154 118.828 119.070 -0.146 0.000 3.289 389 H HA 0.287 4.851 4.556 0.013 0.000 0.330 389 H C -0.234 174.962 175.328 -0.221 0.000 1.187 389 H CA 0.841 56.775 56.048 -0.192 0.000 1.601 389 H CB 0.432 30.087 29.762 -0.178 0.000 1.997 389 H HN 0.889 nan 8.280 nan 0.000 0.489 390 G N 3.536 112.085 108.800 -0.419 0.000 2.475 390 G HA2 -0.224 3.744 3.960 0.013 0.000 0.223 390 G HA3 -0.224 3.744 3.960 0.013 0.000 0.223 390 G C 0.094 174.860 174.900 -0.223 0.000 1.201 390 G CA 0.061 44.947 45.100 -0.356 0.000 0.962 390 G HN 0.520 nan 8.290 nan 0.000 0.586 391 Q N 0.333 120.026 119.800 -0.179 0.000 2.172 391 Q HA 0.187 4.535 4.340 0.013 0.000 0.217 391 Q C 0.885 176.817 176.000 -0.115 0.000 0.832 391 Q CA 0.037 55.752 55.803 -0.147 0.000 1.010 391 Q CB 0.673 29.315 28.738 -0.160 0.000 1.133 391 Q HN 0.569 nan 8.270 nan 0.000 0.489 392 Q N 1.778 121.526 119.800 -0.086 0.000 2.314 392 Q HA 0.229 4.577 4.340 0.013 0.000 0.257 392 Q C -0.376 175.614 176.000 -0.017 0.000 0.975 392 Q CA -0.359 55.423 55.803 -0.035 0.000 0.933 392 Q CB 1.039 29.784 28.738 0.012 0.000 1.195 392 Q HN 0.105 nan 8.270 nan 0.000 0.426 393 V N 4.033 123.934 119.914 -0.022 0.000 2.455 393 V HA 0.149 4.277 4.120 0.013 0.000 0.273 393 V C 0.657 176.752 176.094 0.001 0.000 1.045 393 V CA -0.082 62.211 62.300 -0.012 0.000 0.976 393 V CB 0.588 32.408 31.823 -0.005 0.000 0.993 393 V HN 0.984 nan 8.190 nan 0.000 0.475 394 L N 3.697 124.918 121.223 -0.004 0.000 2.102 394 L HA 0.252 4.600 4.340 0.013 0.000 0.202 394 L C 1.176 178.060 176.870 0.025 0.000 1.076 394 L CA 1.144 55.981 54.840 -0.005 0.000 0.761 394 L CB 0.057 42.094 42.059 -0.038 0.000 0.921 394 L HN 0.800 nan 8.230 nan 0.000 0.444 395 C N -0.533 118.804 119.300 0.062 0.000 2.985 395 C HA 0.502 4.970 4.460 0.013 0.000 0.314 395 C C -1.115 174.043 174.990 0.281 0.000 1.215 395 C CA -0.548 58.574 59.018 0.173 0.000 1.414 395 C CB 1.717 29.624 27.740 0.278 0.000 1.842 395 C HN 0.435 nan 8.230 nan 0.000 0.477 396 Q N 4.445 124.378 119.800 0.222 0.000 2.323 396 Q HA 0.706 5.054 4.340 0.013 0.000 0.271 396 Q C -1.288 174.719 176.000 0.010 0.000 1.048 396 Q CA -0.554 55.359 55.803 0.183 0.000 0.792 396 Q CB 1.336 30.122 28.738 0.079 0.000 1.280 396 Q HN 0.765 nan 8.270 nan 0.000 0.441 397 R N 2.598 123.061 120.500 -0.061 0.000 2.725 397 R HA 0.601 4.949 4.340 0.013 0.000 0.277 397 R C -0.907 175.305 176.300 -0.147 0.000 0.987 397 R CA -0.642 55.296 56.100 -0.269 0.000 0.901 397 R CB 2.150 32.024 30.300 -0.710 0.000 1.207 397 R HN 0.744 nan 8.270 nan 0.000 0.463 398 R N -0.284 120.105 120.500 -0.184 0.000 2.919 398 R HA 0.529 4.877 4.340 0.013 0.000 0.260 398 R C -0.052 176.118 176.300 -0.216 0.000 1.067 398 R CA -0.802 55.192 56.100 -0.177 0.000 1.003 398 R CB 1.866 31.975 30.300 -0.319 0.000 1.192 398 R HN 0.730 nan 8.270 nan 0.000 0.488 399 T N -1.886 112.523 114.554 -0.242 0.000 2.944 399 T HA 0.304 4.661 4.350 0.013 0.000 0.284 399 T C 0.352 174.967 174.700 -0.142 0.000 1.010 399 T CA -0.915 60.992 62.100 -0.322 0.000 1.025 399 T CB 1.427 69.767 68.868 -0.881 0.000 1.079 399 T HN 0.592 nan 8.240 nan 0.000 0.516 400 S N 1.541 117.257 115.700 0.026 0.000 2.562 400 S HA 0.325 4.803 4.470 0.013 0.000 0.281 400 S C -2.512 172.319 174.600 0.386 0.000 1.333 400 S CA -0.958 57.339 58.200 0.160 0.000 1.052 400 S CB -0.502 62.815 63.200 0.194 0.000 0.884 400 S HN 0.625 nan 8.310 nan 0.000 0.506 401 P HA 0.379 nan 4.420 nan 0.000 0.270 401 P C -0.560 176.955 177.300 0.357 0.000 1.227 401 P CA -0.187 63.144 63.100 0.385 0.000 0.788 401 P CB 0.318 32.171 31.700 0.256 0.000 0.926 402 K N 0.994 121.572 120.400 0.297 0.000 2.562 402 K HA 0.460 4.788 4.320 0.013 0.000 0.267 402 K C -2.873 173.771 176.600 0.074 0.000 0.938 402 K CA -2.199 54.138 56.287 0.083 0.000 0.840 402 K CB 1.040 33.410 32.500 -0.215 0.000 1.390 402 K HN 0.093 nan 8.250 nan 0.000 0.428 403 P HA -0.068 nan 4.420 nan 0.000 0.263 403 P C -0.821 176.572 177.300 0.154 0.000 1.175 403 P CA 0.002 63.150 63.100 0.081 0.000 0.761 403 P CB 0.197 31.915 31.700 0.030 0.000 0.794 404 F N 4.868 124.825 119.950 0.012 0.000 2.462 404 F HA 0.211 4.745 4.527 0.013 0.000 0.354 404 F C 0.341 176.137 175.800 -0.008 0.000 1.192 404 F CA -0.526 57.484 58.000 0.016 0.000 1.173 404 F CB -1.006 38.022 39.000 0.046 0.000 1.402 404 F HN 0.170 nan 8.300 nan 0.000 0.595 405 T N 1.697 116.384 114.554 0.222 0.000 2.938 405 T HA 0.289 4.647 4.350 0.013 0.000 0.285 405 T C 0.961 175.660 174.700 -0.002 0.000 1.028 405 T CA -0.723 61.376 62.100 -0.001 0.000 1.005 405 T CB 1.434 70.293 68.868 -0.016 0.000 1.157 405 T HN 0.461 nan 8.240 nan 0.000 0.550 406 E N -0.119 120.038 120.200 -0.073 0.000 2.515 406 E HA -0.076 4.282 4.350 0.013 0.000 0.201 406 E C 0.284 176.875 176.600 -0.015 0.000 1.071 406 E CA 0.669 57.036 56.400 -0.054 0.000 0.880 406 E CB 0.177 29.835 29.700 -0.071 0.000 0.828 406 E HN 0.843 nan 8.360 nan 0.000 0.540 407 E N 0.364 120.557 120.200 -0.012 0.000 2.294 407 E HA 0.348 4.705 4.350 0.013 0.000 0.272 407 E C -1.860 174.703 176.600 -0.061 0.000 0.896 407 E CA -0.502 55.882 56.400 -0.027 0.000 0.802 407 E CB 2.146 31.820 29.700 -0.043 0.000 1.267 407 E HN -0.079 nan 8.360 nan 0.000 0.406 408 V N 5.861 125.723 119.914 -0.086 0.000 2.443 408 V HA 0.421 4.549 4.120 0.013 0.000 0.293 408 V C -0.352 175.549 176.094 -0.323 0.000 1.021 408 V CA -0.665 61.467 62.300 -0.281 0.000 0.848 408 V CB 1.395 32.989 31.823 -0.381 0.000 0.998 408 V HN 0.619 nan 8.190 nan 0.000 0.424 409 L N 4.027 125.028 121.223 -0.370 0.000 2.313 409 L HA 0.476 4.824 4.340 0.013 0.000 0.283 409 L C 0.340 177.035 176.870 -0.292 0.000 1.013 409 L CA -0.288 54.429 54.840 -0.204 0.000 0.816 409 L CB 1.972 43.959 42.059 -0.120 0.000 1.236 409 L HN 0.683 nan 8.230 nan 0.000 0.419 410 W N 0.779 122.054 121.300 -0.043 0.000 2.798 410 W HA 0.044 4.712 4.660 0.013 0.000 0.260 410 W C 1.007 177.486 176.519 -0.066 0.000 1.165 410 W CA 0.060 57.379 57.345 -0.042 0.000 1.501 410 W CB 0.210 29.647 29.460 -0.039 0.000 1.023 410 W HN 0.816 nan 8.180 nan 0.000 0.615 411 N N 0.940 119.719 118.700 0.132 0.000 2.725 411 N HA -0.179 4.568 4.740 0.013 0.000 0.251 411 N C -1.304 174.173 175.510 -0.055 0.000 1.031 411 N CA 0.537 53.576 53.050 -0.019 0.000 0.720 411 N CB -1.318 37.157 38.487 -0.018 0.000 0.930 411 N HN -0.210 nan 8.380 nan 0.000 0.543 412 V N 0.886 120.769 119.914 -0.053 0.000 2.513 412 V HA 0.462 4.590 4.120 0.013 0.000 0.299 412 V C 0.335 176.333 176.094 -0.160 0.000 1.035 412 V CA -0.712 61.563 62.300 -0.041 0.000 0.889 412 V CB 1.184 33.034 31.823 0.045 0.000 0.988 412 V HN 0.281 nan 8.190 nan 0.000 0.440 413 W N 4.892 126.187 121.300 -0.008 0.000 2.358 413 W HA 0.542 5.210 4.660 0.013 0.000 0.307 413 W C -0.127 176.348 176.519 -0.073 0.000 1.203 413 W CA -0.393 56.930 57.345 -0.037 0.000 1.279 413 W CB 0.877 30.315 29.460 -0.037 0.000 1.264 413 W HN 0.361 nan 8.180 nan 0.000 0.474 414 L N 4.169 125.496 121.223 0.172 0.000 2.288 414 L HA 0.228 4.575 4.340 0.013 0.000 0.283 414 L C 0.374 177.225 176.870 -0.031 0.000 1.072 414 L CA -0.403 54.422 54.840 -0.025 0.000 0.862 414 L CB 0.440 42.434 42.059 -0.109 0.000 1.245 414 L HN 0.418 nan 8.230 nan 0.000 0.432 415 E N 2.981 123.148 120.200 -0.055 0.000 2.223 415 E HA 0.283 4.641 4.350 0.013 0.000 0.282 415 E C -0.874 175.685 176.600 -0.069 0.000 1.046 415 E CA -0.526 55.873 56.400 -0.002 0.000 0.857 415 E CB 0.725 30.416 29.700 -0.015 0.000 1.055 415 E HN 0.234 nan 8.360 nan 0.000 0.409 416 F N 1.312 121.334 119.950 0.120 0.000 2.380 416 F HA 0.096 4.631 4.527 0.013 0.000 0.319 416 F C 1.900 177.757 175.800 0.094 0.000 1.113 416 F CA -0.193 57.896 58.000 0.149 0.000 1.056 416 F CB 1.353 40.528 39.000 0.291 0.000 1.289 416 F HN 0.565 nan 8.300 nan 0.000 0.515 417 S N 0.527 116.383 115.700 0.260 0.000 2.446 417 S HA 0.055 4.533 4.470 0.013 0.000 0.225 417 S C 0.689 175.365 174.600 0.128 0.000 1.016 417 S CA 0.025 58.307 58.200 0.137 0.000 0.943 417 S CB -0.334 62.916 63.200 0.084 0.000 0.786 417 S HN 0.505 nan 8.310 nan 0.000 0.508 418 I N 2.394 123.061 120.570 0.161 0.000 2.471 418 I HA 0.260 4.438 4.170 0.013 0.000 0.286 418 I C -0.377 175.805 176.117 0.108 0.000 1.079 418 I CA -0.738 60.614 61.300 0.088 0.000 1.398 418 I CB 0.660 38.674 38.000 0.023 0.000 1.403 418 I HN 0.005 nan 8.210 nan 0.000 0.530 419 K N 6.144 126.583 120.400 0.064 0.000 2.276 419 K HA 0.157 4.485 4.320 0.013 0.000 0.259 419 K C 0.900 177.542 176.600 0.070 0.000 1.001 419 K CA 0.076 56.403 56.287 0.067 0.000 0.927 419 K CB 0.563 33.084 32.500 0.035 0.000 0.969 419 K HN 0.534 nan 8.250 nan 0.000 0.490 420 I N 1.532 122.155 120.570 0.089 0.000 2.226 420 I HA -0.331 3.847 4.170 0.013 0.000 0.245 420 I C 1.903 178.049 176.117 0.050 0.000 1.100 420 I CA 1.479 62.836 61.300 0.096 0.000 1.374 420 I CB -0.292 37.773 38.000 0.108 0.000 1.057 420 I HN 0.629 nan 8.210 nan 0.000 0.413 421 K N 0.184 120.607 120.400 0.038 0.000 2.283 421 K HA -0.144 4.184 4.320 0.013 0.000 0.202 421 K C 1.123 177.729 176.600 0.009 0.000 1.048 421 K CA 1.484 57.787 56.287 0.027 0.000 0.948 421 K CB -0.204 32.309 32.500 0.022 0.000 0.742 421 K HN 0.194 nan 8.250 nan 0.000 0.458 422 D N 0.882 121.281 120.400 -0.003 0.000 2.349 422 D HA 0.067 4.715 4.640 0.013 0.000 0.224 422 D C 0.137 176.408 176.300 -0.048 0.000 1.029 422 D CA 0.241 54.224 54.000 -0.028 0.000 0.879 422 D CB 0.090 40.871 40.800 -0.032 0.000 0.906 422 D HN 0.217 nan 8.370 nan 0.000 0.528 423 L N 2.875 124.072 121.223 -0.044 0.000 2.462 423 L HA 0.148 4.496 4.340 0.013 0.000 0.272 423 L C -2.001 174.841 176.870 -0.047 0.000 1.166 423 L CA -1.248 53.543 54.840 -0.081 0.000 0.880 423 L CB 0.352 42.353 42.059 -0.096 0.000 1.142 423 L HN -0.191 nan 8.230 nan 0.000 0.473 424 P HA 0.198 nan 4.420 nan 0.000 0.292 424 P C -1.015 176.313 177.300 0.047 0.000 1.283 424 P CA -0.988 62.095 63.100 -0.030 0.000 0.835 424 P CB 1.193 32.759 31.700 -0.223 0.000 1.017 425 K N 1.898 122.360 120.400 0.104 0.000 2.472 425 K HA 0.293 4.621 4.320 0.013 0.000 0.280 425 K C 1.224 177.919 176.600 0.158 0.000 1.028 425 K CA 1.503 57.852 56.287 0.104 0.000 1.045 425 K CB -1.019 31.521 32.500 0.067 0.000 0.902 425 K HN 0.786 nan 8.250 nan 0.000 0.478 426 G N 1.991 110.866 108.800 0.125 0.000 2.176 426 G HA2 -0.229 3.739 3.960 0.013 0.000 0.232 426 G HA3 -0.229 3.739 3.960 0.013 0.000 0.232 426 G C 0.205 175.035 174.900 -0.116 0.000 0.986 426 G CA -0.044 45.024 45.100 -0.052 0.000 0.643 426 G HN 0.960 nan 8.290 nan 0.000 0.522 427 A N 0.293 123.121 122.820 0.013 0.000 2.498 427 A HA 0.635 4.963 4.320 0.013 0.000 0.239 427 A C 0.428 177.925 177.584 -0.144 0.000 1.068 427 A CA 0.402 52.428 52.037 -0.017 0.000 0.766 427 A CB 0.310 19.278 19.000 -0.053 0.000 1.003 427 A HN 0.890 nan 8.150 nan 0.000 0.497 428 L N 2.430 123.560 121.223 -0.154 0.000 2.313 428 L HA 0.311 4.659 4.340 0.013 0.000 0.283 428 L C -0.418 176.350 176.870 -0.171 0.000 1.013 428 L CA -0.899 53.844 54.840 -0.162 0.000 0.816 428 L CB 1.675 43.652 42.059 -0.136 0.000 1.236 428 L HN 0.716 nan 8.230 nan 0.000 0.419 429 L N 5.124 126.243 121.223 -0.173 0.000 2.385 429 L HA 0.189 4.537 4.340 0.013 0.000 0.285 429 L C 0.260 177.093 176.870 -0.061 0.000 1.125 429 L CA 0.467 55.216 54.840 -0.152 0.000 0.890 429 L CB -0.155 41.825 42.059 -0.131 0.000 1.251 429 L HN 0.524 nan 8.230 nan 0.000 0.445 430 N N 5.966 124.648 118.700 -0.031 0.000 2.406 430 N HA 0.189 4.937 4.740 0.013 0.000 0.251 430 N C -1.260 174.294 175.510 0.073 0.000 1.069 430 N CA -0.400 52.667 53.050 0.028 0.000 0.947 430 N CB 0.550 39.048 38.487 0.019 0.000 1.111 430 N HN 0.615 nan 8.380 nan 0.000 0.497 431 L N 3.299 124.572 121.223 0.082 0.000 2.272 431 L HA 0.376 4.724 4.340 0.013 0.000 0.289 431 L C -0.018 176.912 176.870 0.101 0.000 1.032 431 L CA -0.505 54.385 54.840 0.084 0.000 0.810 431 L CB 1.541 43.625 42.059 0.041 0.000 1.205 431 L HN 0.414 nan 8.230 nan 0.000 0.422 432 Q N 3.708 123.566 119.800 0.098 0.000 2.397 432 Q HA 0.639 4.987 4.340 0.013 0.000 0.275 432 Q C -1.182 174.780 176.000 -0.064 0.000 1.090 432 Q CA -0.733 55.087 55.803 0.028 0.000 0.809 432 Q CB 3.500 32.239 28.738 0.002 0.000 1.362 432 Q HN 0.521 nan 8.270 nan 0.000 0.431 433 I N 1.948 122.400 120.570 -0.197 0.000 2.404 433 I HA 0.408 4.586 4.170 0.013 0.000 0.293 433 I C -1.153 174.659 176.117 -0.509 0.000 0.992 433 I CA -0.703 60.455 61.300 -0.236 0.000 1.149 433 I CB 0.844 38.805 38.000 -0.065 0.000 1.315 433 I HN 0.524 nan 8.210 nan 0.000 0.446 434 Y N 3.909 123.875 120.300 -0.556 0.000 2.524 434 Y HA 0.531 5.089 4.550 0.013 0.000 0.344 434 Y C 0.184 175.749 175.900 -0.558 0.000 1.012 434 Y CA -0.473 57.252 58.100 -0.625 0.000 1.068 434 Y CB 1.829 39.686 38.460 -1.005 0.000 1.249 434 Y HN 0.501 nan 8.280 nan 0.000 0.468 461 L N 3.474 124.519 121.223 -0.298 0.000 2.467 461 L HA 0.382 4.729 4.340 0.013 0.000 0.213 461 L C -0.274 176.200 176.870 -0.660 0.000 1.053 461 L CA 0.773 55.367 54.840 -0.410 0.000 0.847 461 L CB -0.435 41.452 42.059 -0.286 0.000 1.075 461 L HN 0.566 nan 8.230 nan 0.000 0.479 462 Y N -0.813 119.446 120.300 -0.070 0.000 2.562 462 Y HA 0.521 5.079 4.550 0.013 0.000 0.345 462 Y C -0.588 175.340 175.900 0.047 0.000 1.045 462 Y CA -1.434 56.652 58.100 -0.023 0.000 1.028 462 Y CB 1.749 40.169 38.460 -0.065 0.000 1.297 462 Y HN 0.048 nan 8.280 nan 0.000 0.463 463 Y N -0.935 119.465 120.300 0.167 0.000 2.581 463 Y HA 0.868 5.426 4.550 0.013 0.000 0.337 463 Y C -2.098 173.917 175.900 0.192 0.000 1.108 463 Y CA -1.469 56.699 58.100 0.115 0.000 1.033 463 Y CB 1.525 40.027 38.460 0.069 0.000 1.318 463 Y HN 0.625 nan 8.280 nan 0.000 0.459 464 V N 2.348 122.414 119.914 0.254 0.000 3.167 464 V HA 0.518 4.646 4.120 0.013 0.000 0.293 464 V C -1.997 174.199 176.094 0.170 0.000 1.379 464 V CA -0.805 61.613 62.300 0.196 0.000 1.019 464 V CB 2.518 34.357 31.823 0.027 0.000 1.115 464 V HN 1.010 nan 8.190 nan 0.000 0.442 465 N N 3.206 121.995 118.700 0.149 0.000 2.292 465 N HA 0.729 5.477 4.740 0.013 0.000 0.303 465 N C -1.749 173.764 175.510 0.004 0.000 1.140 465 N CA -0.420 52.668 53.050 0.063 0.000 0.788 465 N CB 2.599 41.121 38.487 0.057 0.000 1.361 465 N HN 0.548 nan 8.380 nan 0.000 0.489 466 L N 1.707 122.892 121.223 -0.064 0.000 2.482 466 L HA 0.438 4.786 4.340 0.013 0.000 0.269 466 L C -1.189 175.600 176.870 -0.134 0.000 0.967 466 L CA -0.414 54.356 54.840 -0.116 0.000 0.851 466 L CB 1.280 43.191 42.059 -0.248 0.000 1.242 466 L HN 0.458 nan 8.230 nan 0.000 0.404 467 L N 6.191 127.342 121.223 -0.121 0.000 2.654 467 L HA 0.030 4.378 4.340 0.013 0.000 0.271 467 L C 1.356 178.158 176.870 -0.113 0.000 1.169 467 L CA 0.230 54.976 54.840 -0.156 0.000 0.947 467 L CB 0.346 42.280 42.059 -0.209 0.000 1.232 467 L HN 0.770 nan 8.230 nan 0.000 0.486 468 L N 4.823 125.966 121.223 -0.134 0.000 2.265 468 L HA -0.039 4.309 4.340 0.013 0.000 0.215 468 L C 0.608 177.455 176.870 -0.039 0.000 1.117 468 L CA 1.056 55.831 54.840 -0.109 0.000 0.782 468 L CB -0.107 41.821 42.059 -0.218 0.000 0.914 468 L HN 0.540 nan 8.230 nan 0.000 0.441 469 I N 0.330 120.885 120.570 -0.024 0.000 2.410 469 I HA 0.131 4.309 4.170 0.013 0.000 0.286 469 I C -0.345 175.814 176.117 0.070 0.000 1.009 469 I CA -0.900 60.411 61.300 0.018 0.000 1.111 469 I CB 1.556 39.564 38.000 0.014 0.000 1.262 469 I HN 0.017 nan 8.210 nan 0.000 0.443 470 D N 5.591 126.014 120.400 0.038 0.000 2.356 470 D HA -0.050 4.598 4.640 0.013 0.000 0.258 470 D C 1.091 177.371 176.300 -0.035 0.000 1.279 470 D CA 0.153 54.193 54.000 0.068 0.000 1.016 470 D CB 0.295 41.064 40.800 -0.052 0.000 1.107 470 D HN 0.625 nan 8.370 nan 0.000 0.544 471 H N -1.317 117.674 119.070 -0.132 0.000 2.556 471 H HA 0.180 4.744 4.556 0.013 0.000 0.268 471 H C 0.601 175.647 175.328 -0.470 0.000 0.996 471 H CA 0.189 55.971 56.048 -0.444 0.000 1.157 471 H CB -0.153 29.302 29.762 -0.512 0.000 1.355 471 H HN 0.318 nan 8.280 nan 0.000 0.597 472 R N -0.455 119.762 120.500 -0.473 0.000 2.543 472 R HA 0.132 4.480 4.340 0.013 0.000 0.323 472 R C -0.502 175.895 176.300 0.162 0.000 1.002 472 R CA -0.349 55.658 56.100 -0.154 0.000 1.106 472 R CB 0.253 30.421 30.300 -0.220 0.000 1.280 472 R HN 0.070 nan 8.270 nan 0.000 0.549 473 F N -0.318 119.548 119.950 -0.140 0.000 2.953 473 F HA -0.271 4.264 4.527 0.013 0.000 0.292 473 F C -0.056 175.724 175.800 -0.034 0.000 0.747 473 F CA 0.303 58.267 58.000 -0.060 0.000 1.222 473 F CB -1.590 37.386 39.000 -0.039 0.000 1.457 473 F HN 0.029 nan 8.300 nan 0.000 0.383 474 L N 0.928 122.186 121.223 0.059 0.000 2.350 474 L HA 0.401 4.749 4.340 0.013 0.000 0.275 474 L C 0.412 177.311 176.870 0.048 0.000 1.099 474 L CA -1.020 53.849 54.840 0.048 0.000 0.808 474 L CB 0.921 42.985 42.059 0.008 0.000 1.149 474 L HN -0.003 nan 8.230 nan 0.000 0.442 475 L N 3.703 124.967 121.223 0.068 0.000 2.369 475 L HA 0.184 4.531 4.340 0.013 0.000 0.279 475 L C 0.562 177.489 176.870 0.094 0.000 1.108 475 L CA 0.149 55.036 54.840 0.079 0.000 0.852 475 L CB 0.378 42.493 42.059 0.092 0.000 1.169 475 L HN 0.475 nan 8.230 nan 0.000 0.452 476 R N 5.228 125.783 120.500 0.091 0.000 2.504 476 R HA 0.096 4.444 4.340 0.013 0.000 0.291 476 R C -0.382 176.028 176.300 0.184 0.000 0.974 476 R CA 0.540 56.714 56.100 0.123 0.000 1.077 476 R CB 0.151 30.470 30.300 0.031 0.000 0.926 476 R HN 0.761 nan 8.270 nan 0.000 0.407 477 R N 3.321 123.973 120.500 0.253 0.000 2.725 477 R HA 0.585 4.933 4.340 0.013 0.000 0.277 477 R C -0.926 175.537 176.300 0.272 0.000 0.987 477 R CA 0.150 56.392 56.100 0.238 0.000 0.901 477 R CB 1.813 32.200 30.300 0.145 0.000 1.207 477 R HN 0.881 nan 8.270 nan 0.000 0.463 478 G N 2.101 111.027 108.800 0.210 0.000 2.409 478 G HA2 -0.133 3.835 3.960 0.013 0.000 0.421 478 G HA3 -0.133 3.835 3.960 0.013 0.000 0.421 478 G C -1.422 173.470 174.900 -0.013 0.000 1.259 478 G CA -0.789 44.336 45.100 0.042 0.000 1.011 478 G HN 0.521 nan 8.290 nan 0.000 0.497 479 E N -0.244 119.832 120.200 -0.206 0.000 2.331 479 E HA 0.585 4.943 4.350 0.013 0.000 0.272 479 E C -1.064 175.256 176.600 -0.466 0.000 1.036 479 E CA 0.195 56.485 56.400 -0.183 0.000 0.864 479 E CB 1.238 30.858 29.700 -0.132 0.000 1.035 479 E HN 0.411 nan 8.360 nan 0.000 0.408 480 Y N -0.402 119.862 120.300 -0.060 0.000 2.433 480 Y HA 0.257 4.814 4.550 0.013 0.000 0.337 480 Y C -0.378 175.460 175.900 -0.104 0.000 1.026 480 Y CA -0.852 57.189 58.100 -0.098 0.000 1.037 480 Y CB 1.886 40.250 38.460 -0.159 0.000 1.245 480 Y HN 0.091 nan 8.280 nan 0.000 0.443 481 V N 5.595 125.526 119.914 0.028 0.000 2.284 481 V HA 0.359 4.487 4.120 0.013 0.000 0.274 481 V C -0.531 175.509 176.094 -0.089 0.000 1.023 481 V CA -0.630 61.636 62.300 -0.058 0.000 0.808 481 V CB 0.617 32.394 31.823 -0.076 0.000 1.035 481 V HN 0.567 nan 8.190 nan 0.000 0.445 482 L N 4.682 125.829 121.223 -0.126 0.000 2.275 482 L HA 0.541 4.889 4.340 0.013 0.000 0.288 482 L C 0.222 176.945 176.870 -0.244 0.000 1.046 482 L CA -0.513 54.256 54.840 -0.118 0.000 0.805 482 L CB 0.720 42.722 42.059 -0.095 0.000 1.193 482 L HN 0.525 nan 8.230 nan 0.000 0.426 483 H N 4.712 123.684 119.070 -0.163 0.000 2.620 483 H HA 0.387 4.951 4.556 0.013 0.000 0.313 483 H C -0.270 174.819 175.328 -0.398 0.000 1.075 483 H CA -0.115 55.782 56.048 -0.251 0.000 1.397 483 H CB 1.401 31.007 29.762 -0.259 0.000 1.446 483 H HN 0.497 nan 8.280 nan 0.000 0.493 484 M N 2.038 121.472 119.600 -0.276 0.000 2.573 484 M HA 0.243 4.730 4.480 0.013 0.000 0.309 484 M C -0.594 175.446 176.300 -0.434 0.000 1.202 484 M CA -0.696 54.404 55.300 -0.334 0.000 0.975 484 M CB 1.489 34.008 32.600 -0.134 0.000 1.600 484 M HN 0.414 nan 8.290 nan 0.000 0.479 485 W N 0.899 121.992 121.300 -0.345 0.000 2.365 485 W HA 0.442 5.109 4.660 0.013 0.000 0.316 485 W C 0.112 176.466 176.519 -0.275 0.000 1.164 485 W CA -0.335 56.768 57.345 -0.403 0.000 1.204 485 W CB 0.518 29.545 29.460 -0.723 0.000 1.213 485 W HN 0.497 nan 8.180 nan 0.000 0.539 486 Q N 2.765 122.642 119.800 0.127 0.000 2.260 486 Q HA 0.294 4.642 4.340 0.013 0.000 0.242 486 Q C 0.051 176.083 176.000 0.054 0.000 0.932 486 Q CA -0.638 55.132 55.803 -0.057 0.000 0.891 486 Q CB 0.887 29.584 28.738 -0.069 0.000 1.222 486 Q HN 0.338 nan 8.270 nan 0.000 0.453 497 F N 3.103 123.022 119.950 -0.052 0.000 2.654 497 F HA 0.501 5.036 4.527 0.013 0.000 0.303 497 F C 0.781 176.559 175.800 -0.037 0.000 1.099 497 F CA -0.741 57.234 58.000 -0.042 0.000 1.270 497 F CB 0.390 39.372 39.000 -0.031 0.000 1.024 497 F HN 0.182 nan 8.300 nan 0.000 0.548 498 N N 1.367 120.091 118.700 0.040 0.000 2.458 498 N HA 0.029 4.777 4.740 0.013 0.000 0.258 498 N C 1.131 176.624 175.510 -0.027 0.000 1.219 498 N CA 0.611 53.651 53.050 -0.017 0.000 0.902 498 N CB 1.442 39.875 38.487 -0.089 0.000 1.076 498 N HN 0.244 nan 8.380 nan 0.000 0.455 499 A N 3.479 126.291 122.820 -0.014 0.000 2.015 499 A HA -0.116 4.212 4.320 0.013 0.000 0.219 499 A C 1.472 179.055 177.584 -0.001 0.000 1.163 499 A CA 1.138 53.161 52.037 -0.023 0.000 0.646 499 A CB -0.150 18.696 19.000 -0.257 0.000 0.806 499 A HN 0.745 nan 8.150 nan 0.000 0.448 500 D N 0.230 120.570 120.400 -0.101 0.000 2.221 500 D HA -0.123 4.525 4.640 0.013 0.000 0.204 500 D C 1.540 177.767 176.300 -0.122 0.000 0.982 500 D CA 1.119 54.969 54.000 -0.249 0.000 0.857 500 D CB -0.232 40.090 40.800 -0.797 0.000 0.934 500 D HN 0.490 nan 8.370 nan 0.000 0.475 501 K N -0.020 120.259 120.400 -0.202 0.000 2.504 501 K HA 0.045 4.373 4.320 0.013 0.000 0.195 501 K C 1.679 178.198 176.600 -0.136 0.000 1.036 501 K CA 0.192 56.234 56.287 -0.408 0.000 0.984 501 K CB 0.239 32.391 32.500 -0.581 0.000 0.788 501 K HN 0.205 nan 8.250 nan 0.000 0.488 502 L N -0.146 121.063 121.223 -0.024 0.000 2.513 502 L HA 0.030 4.378 4.340 0.013 0.000 0.222 502 L C 1.268 178.154 176.870 0.026 0.000 1.096 502 L CA -0.063 54.788 54.840 0.018 0.000 0.857 502 L CB 0.227 42.329 42.059 0.071 0.000 1.026 502 L HN 0.017 nan 8.230 nan 0.000 0.469 503 T N -0.460 114.077 114.554 -0.028 0.000 2.937 503 T HA -0.044 4.314 4.350 0.013 0.000 0.316 503 T C 1.289 175.958 174.700 -0.050 0.000 1.079 503 T CA 0.497 62.471 62.100 -0.210 0.000 1.131 503 T CB 0.826 69.297 68.868 -0.663 0.000 1.000 503 T HN 0.351 nan 8.240 nan 0.000 0.549 504 S N 2.525 118.188 115.700 -0.062 0.000 2.556 504 S HA 0.414 4.892 4.470 0.013 0.000 0.216 504 S C 0.835 175.494 174.600 0.099 0.000 0.970 504 S CA -0.112 58.091 58.200 0.005 0.000 0.912 504 S CB 0.074 63.219 63.200 -0.091 0.000 0.790 504 S HN 0.929 nan 8.310 nan 0.000 0.504 505 A N 2.720 125.593 122.820 0.088 0.000 2.440 505 A HA 0.539 4.867 4.320 0.013 0.000 0.251 505 A C 0.742 178.533 177.584 0.345 0.000 1.089 505 A CA -0.167 51.975 52.037 0.175 0.000 0.779 505 A CB -0.033 19.027 19.000 0.099 0.000 1.022 505 A HN 0.555 nan 8.150 nan 0.000 0.492 506 T N 0.607 115.262 114.554 0.168 0.000 2.918 506 T HA 0.322 4.680 4.350 0.013 0.000 0.283 506 T C 0.240 174.670 174.700 -0.450 0.000 1.001 506 T CA -0.921 61.134 62.100 -0.076 0.000 1.041 506 T CB 0.622 69.491 68.868 0.002 0.000 1.028 506 T HN 0.589 nan 8.240 nan 0.000 0.511 507 N N 2.341 120.376 118.700 -1.108 0.000 2.447 507 N HA 0.118 4.866 4.740 0.013 0.000 0.263 507 N C -1.707 173.461 175.510 -0.570 0.000 1.226 507 N CA -1.840 50.396 53.050 -1.357 0.000 0.906 507 N CB 1.068 38.816 38.487 -1.231 0.000 1.060 507 N HN 0.353 nan 8.380 nan 0.000 0.468 508 P HA -0.045 nan 4.420 nan 0.000 0.219 508 P C -0.153 177.012 177.300 -0.226 0.000 1.150 508 P CA 0.780 63.766 63.100 -0.190 0.000 0.814 508 P CB 0.154 31.826 31.700 -0.046 0.000 0.787 509 D N 0.353 120.614 120.400 -0.231 0.000 2.489 509 D HA -0.017 4.631 4.640 0.013 0.000 0.237 509 D C 0.857 176.984 176.300 -0.288 0.000 1.212 509 D CA 0.241 54.126 54.000 -0.192 0.000 1.058 509 D CB -0.112 40.618 40.800 -0.118 0.000 1.098 509 D HN 0.027 nan 8.370 nan 0.000 0.509 510 K N 1.520 121.689 120.400 -0.385 0.000 2.366 510 K HA -0.087 4.241 4.320 0.013 0.000 0.198 510 K C 1.548 177.981 176.600 -0.280 0.000 1.044 510 K CA 0.605 56.494 56.287 -0.663 0.000 0.973 510 K CB 0.377 32.478 32.500 -0.664 0.000 0.767 510 K HN 0.543 nan 8.250 nan 0.000 0.475 511 E N -0.416 119.693 120.200 -0.152 0.000 2.400 511 E HA -0.004 4.354 4.350 0.013 0.000 0.195 511 E C 1.067 177.647 176.600 -0.035 0.000 1.012 511 E CA 0.476 56.836 56.400 -0.067 0.000 0.875 511 E CB 0.222 29.889 29.700 -0.055 0.000 0.859 511 E HN 0.098 nan 8.360 nan 0.000 0.498 512 N N 0.901 119.577 118.700 -0.041 0.000 2.397 512 N HA 0.006 4.754 4.740 0.013 0.000 0.190 512 N C 0.307 175.822 175.510 0.008 0.000 1.099 512 N CA 0.653 53.697 53.050 -0.010 0.000 0.876 512 N CB 0.899 39.384 38.487 -0.004 0.000 1.143 512 N HN 0.179 nan 8.380 nan 0.000 0.468 513 S N 0.772 116.467 115.700 -0.007 0.000 2.592 513 S HA 0.336 4.814 4.470 0.013 0.000 0.271 513 S C 0.410 175.007 174.600 -0.006 0.000 1.326 513 S CA -0.691 57.511 58.200 0.004 0.000 1.024 513 S CB 1.251 64.410 63.200 -0.067 0.000 0.921 513 S HN 0.147 nan 8.310 nan 0.000 0.527 514 M N 2.810 122.327 119.600 -0.138 0.000 2.245 514 M HA 0.362 4.849 4.480 0.013 0.000 0.344 514 M C -0.029 176.116 176.300 -0.259 0.000 1.170 514 M CA 0.657 55.755 55.300 -0.336 0.000 1.135 514 M CB 0.654 32.682 32.600 -0.953 0.000 1.574 514 M HN 0.791 nan 8.290 nan 0.000 0.452 515 S N 5.122 120.659 115.700 -0.271 0.000 2.536 515 S HA 0.792 5.270 4.470 0.013 0.000 0.298 515 S C -1.166 173.291 174.600 -0.239 0.000 1.083 515 S CA -0.969 57.010 58.200 -0.368 0.000 0.995 515 S CB 0.871 63.752 63.200 -0.532 0.000 1.058 515 S HN 0.811 nan 8.310 nan 0.000 0.488 516 I N 2.607 123.049 120.570 -0.213 0.000 2.647 516 I HA 0.561 4.739 4.170 0.013 0.000 0.295 516 I C -1.087 174.972 176.117 -0.097 0.000 1.078 516 I CA -0.318 60.913 61.300 -0.115 0.000 1.048 516 I CB 2.196 40.145 38.000 -0.085 0.000 1.239 516 I HN 0.607 nan 8.210 nan 0.000 0.421 517 S N 7.797 123.465 115.700 -0.053 0.000 2.498 517 S HA 0.639 5.117 4.470 0.013 0.000 0.317 517 S C -0.404 174.178 174.600 -0.030 0.000 1.090 517 S CA -0.580 57.595 58.200 -0.041 0.000 1.089 517 S CB 1.086 64.261 63.200 -0.043 0.000 0.997 517 S HN 0.541 nan 8.310 nan 0.000 0.470 518 I N 0.176 120.741 120.570 -0.009 0.000 3.206 518 I HA 0.864 5.042 4.170 0.013 0.000 0.313 518 I C -1.673 174.450 176.117 0.010 0.000 1.103 518 I CA -1.477 59.811 61.300 -0.020 0.000 0.985 518 I CB 1.792 39.792 38.000 -0.000 0.000 1.240 518 I HN 0.475 nan 8.210 nan 0.000 0.464 519 L N 2.909 124.114 121.223 -0.030 0.000 2.476 519 L HA 0.625 4.973 4.340 0.013 0.000 0.269 519 L C -2.002 174.931 176.870 0.106 0.000 0.965 519 L CA -0.312 54.542 54.840 0.023 0.000 0.845 519 L CB 1.730 43.739 42.059 -0.082 0.000 1.259 519 L HN 0.571 nan 8.230 nan 0.000 0.403 520 L N 4.962 126.306 121.223 0.201 0.000 2.313 520 L HA 0.762 5.110 4.340 0.013 0.000 0.283 520 L C -0.448 176.543 176.870 0.202 0.000 1.013 520 L CA 0.080 55.045 54.840 0.208 0.000 0.816 520 L CB 1.470 43.659 42.059 0.217 0.000 1.236 520 L HN 0.631 nan 8.230 nan 0.000 0.419 547 M N 4.977 124.572 119.600 -0.008 0.000 2.252 547 M HA 0.241 4.728 4.480 0.013 0.000 0.348 547 M C -1.842 174.408 176.300 -0.083 0.000 1.334 547 M CA -1.202 54.034 55.300 -0.107 0.000 1.071 547 M CB 0.168 32.579 32.600 -0.315 0.000 1.763 547 M HN 0.345 nan 8.290 nan 0.000 0.452 548 P HA -0.004 nan 4.420 nan 0.000 0.267 548 P C 0.100 177.357 177.300 -0.071 0.000 1.200 548 P CA 0.157 63.232 63.100 -0.042 0.000 0.772 548 P CB 0.423 32.114 31.700 -0.015 0.000 0.855 549 N N 2.635 121.306 118.700 -0.047 0.000 2.037 549 N HA -0.307 4.441 4.740 0.013 0.000 0.196 549 N C 1.647 177.122 175.510 -0.058 0.000 1.034 549 N CA 2.008 55.029 53.050 -0.048 0.000 0.861 549 N CB -0.405 38.064 38.487 -0.030 0.000 1.039 549 N HN 0.361 nan 8.380 nan 0.000 0.427 550 Q N 0.248 120.020 119.800 -0.047 0.000 2.096 550 Q HA -0.044 4.304 4.340 0.013 0.000 0.204 550 Q C 1.993 177.953 176.000 -0.066 0.000 0.982 550 Q CA 1.590 57.366 55.803 -0.045 0.000 0.850 550 Q CB -0.496 28.226 28.738 -0.027 0.000 0.901 550 Q HN 0.620 nan 8.270 nan 0.000 0.422 551 L N -0.221 120.946 121.223 -0.093 0.000 2.093 551 L HA -0.105 4.243 4.340 0.013 0.000 0.208 551 L C 2.716 179.460 176.870 -0.209 0.000 1.085 551 L CA 1.471 56.223 54.840 -0.146 0.000 0.755 551 L CB -0.485 41.453 42.059 -0.202 0.000 0.904 551 L HN 0.267 nan 8.230 nan 0.000 0.435 552 R N 0.837 121.214 120.500 -0.205 0.000 2.073 552 R HA -0.192 4.156 4.340 0.013 0.000 0.234 552 R C 2.316 178.538 176.300 -0.129 0.000 1.134 552 R CA 1.574 57.563 56.100 -0.185 0.000 0.952 552 R CB -0.039 30.180 30.300 -0.135 0.000 0.850 552 R HN 0.218 nan 8.270 nan 0.000 0.433 553 K N 0.283 120.628 120.400 -0.092 0.000 2.020 553 K HA -0.279 4.049 4.320 0.013 0.000 0.212 553 K C 2.281 178.841 176.600 -0.067 0.000 1.050 553 K CA 2.134 58.382 56.287 -0.066 0.000 0.929 553 K CB -0.260 32.212 32.500 -0.048 0.000 0.714 553 K HN 0.344 nan 8.250 nan 0.000 0.443 554 Q N 0.866 120.626 119.800 -0.066 0.000 2.112 554 Q HA -0.220 4.128 4.340 0.013 0.000 0.206 554 Q C 2.157 178.121 176.000 -0.059 0.000 0.987 554 Q CA 1.455 57.227 55.803 -0.051 0.000 0.858 554 Q CB -0.071 28.644 28.738 -0.039 0.000 0.905 554 Q HN 0.210 nan 8.270 nan 0.000 0.420 555 L N 0.883 122.049 121.223 -0.095 0.000 2.056 555 L HA -0.118 4.230 4.340 0.013 0.000 0.207 555 L C 1.812 178.607 176.870 -0.125 0.000 1.078 555 L CA 1.873 56.649 54.840 -0.106 0.000 0.749 555 L CB -0.295 41.667 42.059 -0.161 0.000 0.901 555 L HN 0.222 nan 8.230 nan 0.000 0.433 556 E N -0.525 119.593 120.200 -0.138 0.000 2.106 556 E HA -0.170 4.188 4.350 0.013 0.000 0.192 556 E C 2.165 178.717 176.600 -0.079 0.000 0.984 556 E CA 0.977 57.294 56.400 -0.139 0.000 0.806 556 E CB -0.271 29.365 29.700 -0.107 0.000 0.750 556 E HN 0.633 nan 8.360 nan 0.000 0.458 557 A N 1.296 124.081 122.820 -0.057 0.000 1.933 557 A HA -0.168 4.159 4.320 0.013 0.000 0.218 557 A C 2.163 179.731 177.584 -0.027 0.000 1.175 557 A CA 1.028 53.044 52.037 -0.035 0.000 0.628 557 A CB -0.546 18.437 19.000 -0.028 0.000 0.814 557 A HN 0.132 nan 8.150 nan 0.000 0.444 558 I N -0.297 120.255 120.570 -0.030 0.000 2.226 558 I HA -0.237 3.940 4.170 0.013 0.000 0.245 558 I C 2.082 178.193 176.117 -0.011 0.000 1.100 558 I CA 1.304 62.595 61.300 -0.014 0.000 1.374 558 I CB -0.318 37.676 38.000 -0.009 0.000 1.057 558 I HN 0.279 nan 8.210 nan 0.000 0.413 559 I N 0.736 121.285 120.570 -0.035 0.000 2.756 559 I HA -0.192 3.986 4.170 0.013 0.000 0.262 559 I C 2.537 178.656 176.117 0.004 0.000 1.225 559 I CA 0.880 62.167 61.300 -0.022 0.000 1.472 559 I CB -0.367 37.579 38.000 -0.090 0.000 1.094 559 I HN 0.169 nan 8.210 nan 0.000 0.454 560 A N 0.388 123.203 122.820 -0.008 0.000 2.030 560 A HA 0.008 4.336 4.320 0.013 0.000 0.215 560 A C 1.512 179.099 177.584 0.005 0.000 1.164 560 A CA 0.750 52.787 52.037 0.000 0.000 0.697 560 A CB -0.721 18.274 19.000 -0.009 0.000 0.827 560 A HN 0.449 nan 8.150 nan 0.000 0.457 561 T N 0.539 115.096 114.554 0.005 0.000 2.795 561 T HA 0.244 4.602 4.350 0.013 0.000 0.314 561 T C 0.168 174.876 174.700 0.014 0.000 1.069 561 T CA -0.045 62.058 62.100 0.006 0.000 1.071 561 T CB 0.205 69.078 68.868 0.008 0.000 0.988 561 T HN 0.516 nan 8.240 nan 0.000 0.543 562 D N 1.200 121.604 120.400 0.007 0.000 2.371 562 D HA 0.106 4.754 4.640 0.013 0.000 0.242 562 D C -1.917 174.399 176.300 0.027 0.000 1.218 562 D CA -1.714 52.292 54.000 0.010 0.000 0.945 562 D CB 0.349 41.144 40.800 -0.008 0.000 1.137 562 D HN 0.221 nan 8.370 nan 0.000 0.464 563 P HA -0.037 nan 4.420 nan 0.000 0.218 563 P C 1.373 178.699 177.300 0.042 0.000 1.149 563 P CA 0.932 64.065 63.100 0.055 0.000 0.817 563 P CB 0.137 31.870 31.700 0.056 0.000 0.785 564 L N -1.971 119.264 121.223 0.020 0.000 2.567 564 L HA 0.087 4.435 4.340 0.013 0.000 0.225 564 L C 1.111 177.984 176.870 0.006 0.000 1.119 564 L CA -0.058 54.785 54.840 0.005 0.000 0.871 564 L CB -0.523 41.529 42.059 -0.011 0.000 1.036 564 L HN 0.019 nan 8.230 nan 0.000 0.459 565 N N 2.195 120.902 118.700 0.012 0.000 2.416 565 N HA 0.105 4.852 4.740 0.013 0.000 0.265 565 N C -2.323 173.200 175.510 0.021 0.000 1.195 565 N CA -1.174 51.883 53.050 0.012 0.000 0.943 565 N CB 1.024 39.516 38.487 0.009 0.000 1.115 565 N HN -0.088 nan 8.380 nan 0.000 0.481 566 P HA 0.105 nan 4.420 nan 0.000 0.268 566 P C -0.449 176.866 177.300 0.026 0.000 1.204 566 P CA 0.052 63.168 63.100 0.026 0.000 0.768 566 P CB 0.743 32.457 31.700 0.025 0.000 0.842 567 L N 2.507 123.748 121.223 0.030 0.000 2.305 567 L HA 0.330 4.678 4.340 0.013 0.000 0.281 567 L C 1.304 178.187 176.870 0.022 0.000 1.085 567 L CA -0.478 54.379 54.840 0.029 0.000 0.813 567 L CB 0.796 42.876 42.059 0.036 0.000 1.157 567 L HN 0.434 nan 8.230 nan 0.000 0.436 568 T N -0.474 114.091 114.554 0.019 0.000 2.816 568 T HA 0.386 4.744 4.350 0.013 0.000 0.282 568 T C 1.263 175.970 174.700 0.013 0.000 0.993 568 T CA -0.143 61.966 62.100 0.014 0.000 0.994 568 T CB 1.611 70.487 68.868 0.013 0.000 1.025 568 T HN 0.620 nan 8.240 nan 0.000 0.529 569 A N 0.724 123.548 122.820 0.006 0.000 1.892 569 A HA -0.150 4.178 4.320 0.013 0.000 0.218 569 A C 2.243 179.832 177.584 0.009 0.000 1.188 569 A CA 2.017 54.055 52.037 0.001 0.000 0.631 569 A CB -1.153 17.843 19.000 -0.006 0.000 0.822 569 A HN 0.985 nan 8.150 nan 0.000 0.447 570 E N -0.251 119.957 120.200 0.012 0.000 2.077 570 E HA -0.201 4.156 4.350 0.013 0.000 0.193 570 E C 1.580 178.202 176.600 0.036 0.000 0.989 570 E CA 1.142 57.555 56.400 0.021 0.000 0.800 570 E CB -0.301 29.409 29.700 0.017 0.000 0.746 570 E HN 0.570 nan 8.360 nan 0.000 0.452 571 D N 1.022 121.442 120.400 0.032 0.000 2.104 571 D HA -0.163 4.485 4.640 0.013 0.000 0.194 571 D C 1.810 178.143 176.300 0.056 0.000 0.994 571 D CA 1.256 55.280 54.000 0.040 0.000 0.830 571 D CB -0.137 40.682 40.800 0.031 0.000 0.959 571 D HN 0.141 nan 8.370 nan 0.000 0.452 572 K N 0.632 121.059 120.400 0.045 0.000 2.026 572 K HA -0.103 4.225 4.320 0.013 0.000 0.208 572 K C 2.150 178.803 176.600 0.088 0.000 1.048 572 K CA 0.900 57.217 56.287 0.050 0.000 0.929 572 K CB -0.072 32.435 32.500 0.012 0.000 0.713 572 K HN 0.216 nan 8.250 nan 0.000 0.439 573 E N 0.724 120.968 120.200 0.073 0.000 2.153 573 E HA -0.200 4.158 4.350 0.013 0.000 0.194 573 E C 1.953 178.647 176.600 0.156 0.000 0.988 573 E CA 0.728 57.190 56.400 0.104 0.000 0.811 573 E CB -0.027 29.700 29.700 0.045 0.000 0.746 573 E HN 0.110 nan 8.360 nan 0.000 0.466 574 L N 0.774 122.087 121.223 0.151 0.000 2.023 574 L HA -0.123 4.225 4.340 0.013 0.000 0.205 574 L C 2.092 179.126 176.870 0.274 0.000 1.073 574 L CA 1.403 56.386 54.840 0.238 0.000 0.745 574 L CB -0.373 41.798 42.059 0.187 0.000 0.900 574 L HN 0.096 nan 8.230 nan 0.000 0.435 575 L N -1.459 119.868 121.223 0.174 0.000 2.013 575 L HA -0.320 4.028 4.340 0.013 0.000 0.212 575 L C 2.500 179.441 176.870 0.118 0.000 1.073 575 L CA 2.103 57.016 54.840 0.122 0.000 0.753 575 L CB -0.806 41.297 42.059 0.072 0.000 0.890 575 L HN 0.591 nan 8.230 nan 0.000 0.432 576 W N 0.303 121.575 121.300 -0.047 0.000 2.378 576 W HA -0.233 4.435 4.660 0.013 0.000 0.313 576 W C 2.621 179.076 176.519 -0.108 0.000 1.197 576 W CA 1.751 59.030 57.345 -0.109 0.000 1.304 576 W CB -0.493 28.901 29.460 -0.111 0.000 1.148 576 W HN 0.303 nan 8.180 nan 0.000 0.494 577 H N -0.572 118.382 119.070 -0.192 0.000 2.387 577 H HA -0.187 4.377 4.556 0.013 0.000 0.299 577 H C 0.329 175.269 175.328 -0.648 0.000 1.099 577 H CA 1.650 57.413 56.048 -0.476 0.000 1.315 577 H CB -0.625 28.850 29.762 -0.479 0.000 1.380 577 H HN 0.044 nan 8.280 nan 0.000 0.513 578 F N 1.446 121.313 119.950 -0.139 0.000 2.983 578 F HA 0.215 4.750 4.527 0.013 0.000 0.307 578 F C 1.792 177.469 175.800 -0.205 0.000 1.218 578 F CA -0.551 57.356 58.000 -0.155 0.000 1.323 578 F CB 0.199 39.173 39.000 -0.042 0.000 0.989 578 F HN 0.100 nan 8.300 nan 0.000 0.509 579 R N -1.080 119.243 120.500 -0.294 0.000 2.096 579 R HA -0.196 4.151 4.340 0.013 0.000 0.235 579 R C 1.024 177.101 176.300 -0.371 0.000 1.127 579 R CA 1.703 57.544 56.100 -0.431 0.000 0.968 579 R CB -0.953 28.858 30.300 -0.815 0.000 0.861 579 R HN 0.343 nan 8.270 nan 0.000 0.440 580 Y N 1.094 121.277 120.300 -0.195 0.000 2.352 580 Y HA -0.118 4.440 4.550 0.013 0.000 0.292 580 Y C 2.499 178.381 175.900 -0.030 0.000 1.136 580 Y CA 1.313 59.344 58.100 -0.115 0.000 1.227 580 Y CB 0.005 38.395 38.460 -0.117 0.000 0.991 580 Y HN 0.206 nan 8.280 nan 0.000 0.545 581 E N -0.139 120.147 120.200 0.143 0.000 2.112 581 E HA -0.096 4.262 4.350 0.013 0.000 0.190 581 E C 2.082 178.771 176.600 0.149 0.000 0.979 581 E CA 1.377 57.861 56.400 0.140 0.000 0.814 581 E CB -0.200 29.574 29.700 0.122 0.000 0.762 581 E HN 0.142 nan 8.360 nan 0.000 0.460 582 S N 0.294 116.028 115.700 0.057 0.000 2.423 582 S HA -0.091 4.386 4.470 0.013 0.000 0.231 582 S C 1.630 176.257 174.600 0.046 0.000 1.014 582 S CA 0.725 58.939 58.200 0.023 0.000 0.965 582 S CB -0.270 62.874 63.200 -0.093 0.000 0.785 582 S HN 0.241 nan 8.310 nan 0.000 0.495 583 L N 1.804 123.006 121.223 -0.035 0.000 2.265 583 L HA 0.015 4.363 4.340 0.013 0.000 0.215 583 L C 1.685 178.696 176.870 0.235 0.000 1.117 583 L CA 1.570 56.386 54.840 -0.040 0.000 0.782 583 L CB -0.364 41.658 42.059 -0.060 0.000 0.914 583 L HN 0.128 nan 8.230 nan 0.000 0.441 584 K N -1.512 119.013 120.400 0.209 0.000 2.486 584 K HA -0.005 4.323 4.320 0.013 0.000 0.194 584 K C -0.360 176.223 176.600 -0.028 0.000 1.033 584 K CA 0.341 56.689 56.287 0.101 0.000 1.004 584 K CB -0.108 32.399 32.500 0.012 0.000 0.798 584 K HN 0.381 nan 8.250 nan 0.000 0.495 585 H N -0.234 118.961 119.070 0.209 0.000 2.718 585 H HA 0.148 4.712 4.556 0.013 0.000 0.295 585 H C -2.077 173.468 175.328 0.363 0.000 1.051 585 H CA -2.261 53.907 56.048 0.201 0.000 1.260 585 H CB 1.323 31.160 29.762 0.125 0.000 1.403 585 H HN -0.119 nan 8.280 nan 0.000 0.488 586 P HA -0.205 nan 4.420 nan 0.000 0.217 586 P C 0.942 178.424 177.300 0.303 0.000 1.148 586 P CA 1.430 64.631 63.100 0.168 0.000 0.828 586 P CB 0.364 32.022 31.700 -0.069 0.000 0.783 587 K N -1.009 119.545 120.400 0.256 0.000 2.439 587 K HA 0.073 4.401 4.320 0.013 0.000 0.197 587 K C 1.763 178.515 176.600 0.254 0.000 1.041 587 K CA 0.916 57.330 56.287 0.213 0.000 0.970 587 K CB -0.212 32.371 32.500 0.138 0.000 0.773 587 K HN 0.084 nan 8.250 nan 0.000 0.479 588 A N -0.115 122.906 122.820 0.334 0.000 2.238 588 A HA 0.018 4.346 4.320 0.013 0.000 0.210 588 A C 1.178 178.880 177.584 0.197 0.000 1.179 588 A CA 0.180 52.345 52.037 0.213 0.000 0.827 588 A CB -0.195 18.883 19.000 0.130 0.000 0.856 588 A HN 0.144 nan 8.150 nan 0.000 0.488 589 Y N 0.822 121.183 120.300 0.100 0.000 2.089 589 Y HA -0.099 4.459 4.550 0.013 0.000 0.282 589 Y C -0.233 175.778 175.900 0.185 0.000 1.139 589 Y CA 2.045 60.182 58.100 0.063 0.000 1.123 589 Y CB -1.743 36.858 38.460 0.236 0.000 0.980 589 Y HN 0.254 nan 8.280 nan 0.000 0.493 590 P HA -0.197 nan 4.420 nan 0.000 0.215 590 P C 1.150 178.730 177.300 0.466 0.000 1.157 590 P CA 2.420 65.757 63.100 0.395 0.000 0.874 590 P CB -0.018 31.861 31.700 0.298 0.000 0.790 591 K N -1.228 119.331 120.400 0.265 0.000 2.103 591 K HA -0.080 4.248 4.320 0.013 0.000 0.204 591 K C 1.974 178.643 176.600 0.115 0.000 1.052 591 K CA 0.755 57.150 56.287 0.180 0.000 0.945 591 K CB -0.860 31.706 32.500 0.110 0.000 0.722 591 K HN 0.029 nan 8.250 nan 0.000 0.443 592 L N 0.549 121.763 121.223 -0.015 0.000 2.017 592 L HA -0.096 4.252 4.340 0.013 0.000 0.208 592 L C 1.606 178.394 176.870 -0.136 0.000 1.073 592 L CA 1.757 56.477 54.840 -0.200 0.000 0.745 592 L CB -0.465 41.254 42.059 -0.567 0.000 0.894 592 L HN 0.090 nan 8.230 nan 0.000 0.432 593 F N -1.114 118.970 119.950 0.224 0.000 2.661 593 F HA -0.005 4.530 4.527 0.013 0.000 0.298 593 F C 2.264 178.350 175.800 0.478 0.000 1.137 593 F CA 0.652 58.877 58.000 0.376 0.000 1.454 593 F CB -0.329 38.962 39.000 0.486 0.000 1.103 593 F HN 0.039 nan 8.300 nan 0.000 0.577 594 S N -1.124 114.854 115.700 0.463 0.000 2.478 594 S HA -0.069 4.409 4.470 0.013 0.000 0.222 594 S C 1.848 176.525 174.600 0.129 0.000 1.008 594 S CA 0.601 58.958 58.200 0.262 0.000 0.928 594 S CB -0.087 63.208 63.200 0.159 0.000 0.781 594 S HN 0.165 nan 8.310 nan 0.000 0.518 595 S N 1.273 117.021 115.700 0.080 0.000 2.650 595 S HA 0.170 4.648 4.470 0.013 0.000 0.219 595 S C 0.365 174.838 174.600 -0.211 0.000 0.960 595 S CA -0.018 58.172 58.200 -0.016 0.000 0.925 595 S CB 0.050 63.282 63.200 0.053 0.000 0.775 595 S HN 0.161 nan 8.310 nan 0.000 0.525 596 V N 2.763 122.500 119.914 -0.294 0.000 2.432 596 V HA 0.181 4.308 4.120 0.013 0.000 0.275 596 V C 0.233 175.835 176.094 -0.819 0.000 1.043 596 V CA -0.579 61.243 62.300 -0.798 0.000 0.925 596 V CB 1.211 32.378 31.823 -1.094 0.000 0.985 596 V HN 0.209 nan 8.190 nan 0.000 0.466 597 K N 5.084 124.990 120.400 -0.824 0.000 2.171 597 K HA 0.099 4.427 4.320 0.013 0.000 0.274 597 K C 0.092 176.390 176.600 -0.504 0.000 1.110 597 K CA 0.129 56.102 56.287 -0.523 0.000 0.952 597 K CB 0.231 32.465 32.500 -0.442 0.000 1.309 597 K HN 0.694 nan 8.250 nan 0.000 0.414 598 W N 1.001 122.141 121.300 -0.267 0.000 2.699 598 W HA -0.012 4.656 4.660 0.013 0.000 0.249 598 W C 1.849 178.169 176.519 -0.332 0.000 1.280 598 W CA 0.031 57.170 57.345 -0.343 0.000 1.345 598 W CB 0.222 29.359 29.460 -0.538 0.000 1.128 598 W HN 0.663 nan 8.180 nan 0.000 0.642 599 G N -0.267 108.481 108.800 -0.086 0.000 2.920 599 G HA2 -0.012 3.956 3.960 0.013 0.000 0.208 599 G HA3 -0.012 3.956 3.960 0.013 0.000 0.208 599 G C 0.395 175.233 174.900 -0.104 0.000 1.159 599 G CA -0.127 44.916 45.100 -0.094 0.000 0.784 599 G HN 0.182 nan 8.290 nan 0.000 0.535 600 Q N -0.391 119.323 119.800 -0.144 0.000 2.325 600 Q HA 0.260 4.608 4.340 0.013 0.000 0.270 600 Q C 0.520 176.438 176.000 -0.137 0.000 1.020 600 Q CA -0.466 55.256 55.803 -0.135 0.000 0.785 600 Q CB 2.128 30.768 28.738 -0.164 0.000 1.259 600 Q HN 0.263 nan 8.270 nan 0.000 0.452 601 Q N 1.859 121.605 119.800 -0.091 0.000 2.124 601 Q HA -0.237 4.111 4.340 0.013 0.000 0.202 601 Q C 0.551 176.496 176.000 -0.092 0.000 0.977 601 Q CA 1.924 57.679 55.803 -0.081 0.000 0.850 601 Q CB 0.444 29.159 28.738 -0.040 0.000 0.901 601 Q HN 0.601 nan 8.270 nan 0.000 0.429 602 E N 0.461 120.617 120.200 -0.074 0.000 2.051 602 E HA -0.184 4.174 4.350 0.013 0.000 0.192 602 E C 1.869 178.433 176.600 -0.060 0.000 0.991 602 E CA 1.231 57.602 56.400 -0.049 0.000 0.799 602 E CB -0.173 29.511 29.700 -0.027 0.000 0.748 602 E HN 0.347 nan 8.360 nan 0.000 0.449 603 I N 0.511 121.005 120.570 -0.126 0.000 2.142 603 I HA -0.204 3.974 4.170 0.013 0.000 0.240 603 I C 2.256 178.230 176.117 -0.238 0.000 1.078 603 I CA 0.977 62.161 61.300 -0.194 0.000 1.343 603 I CB -1.101 36.621 38.000 -0.464 0.000 1.046 603 I HN 0.012 nan 8.210 nan 0.000 0.405 604 V N 1.531 121.249 119.914 -0.327 0.000 2.332 604 V HA -0.291 3.837 4.120 0.013 0.000 0.248 604 V C 2.847 178.676 176.094 -0.441 0.000 1.055 604 V CA 1.853 63.907 62.300 -0.411 0.000 1.038 604 V CB -1.197 30.446 31.823 -0.301 0.000 0.651 604 V HN 0.476 nan 8.190 nan 0.000 0.450 605 A N -0.280 122.385 122.820 -0.259 0.000 1.902 605 A HA -0.246 4.082 4.320 0.013 0.000 0.217 605 A C 2.295 179.875 177.584 -0.007 0.000 1.181 605 A CA 1.992 53.947 52.037 -0.137 0.000 0.623 605 A CB -0.436 18.538 19.000 -0.043 0.000 0.818 605 A HN 0.555 nan 8.150 nan 0.000 0.443 606 K N -0.840 119.580 120.400 0.032 0.000 2.147 606 K HA -0.086 4.242 4.320 0.013 0.000 0.205 606 K C 1.991 178.664 176.600 0.122 0.000 1.049 606 K CA 1.638 57.986 56.287 0.102 0.000 0.936 606 K CB -0.367 32.239 32.500 0.177 0.000 0.722 606 K HN 0.488 nan 8.250 nan 0.000 0.446 607 T N 0.550 115.189 114.554 0.142 0.000 2.788 607 T HA -0.126 4.232 4.350 0.013 0.000 0.268 607 T C 1.621 176.522 174.700 0.335 0.000 1.044 607 T CA 1.087 63.309 62.100 0.203 0.000 1.139 607 T CB -0.265 68.642 68.868 0.065 0.000 0.867 607 T HN 0.321 nan 8.240 nan 0.000 0.454 608 Y N 1.502 121.874 120.300 0.120 0.000 2.263 608 Y HA -0.116 4.442 4.550 0.013 0.000 0.292 608 Y C 2.942 178.893 175.900 0.085 0.000 1.130 608 Y CA 0.324 58.489 58.100 0.109 0.000 1.179 608 Y CB -0.172 38.352 38.460 0.107 0.000 0.998 608 Y HN 0.282 nan 8.280 nan 0.000 0.532 609 Q N 0.307 120.252 119.800 0.241 0.000 2.181 609 Q HA -0.212 4.136 4.340 0.013 0.000 0.205 609 Q C 2.271 178.355 176.000 0.140 0.000 0.980 609 Q CA 1.256 57.157 55.803 0.162 0.000 0.862 609 Q CB -0.116 28.703 28.738 0.134 0.000 0.905 609 Q HN 0.547 nan 8.270 nan 0.000 0.429 610 L N 0.288 121.567 121.223 0.093 0.000 2.044 610 L HA -0.163 4.185 4.340 0.013 0.000 0.205 610 L C 2.176 179.098 176.870 0.087 0.000 1.075 610 L CA 0.899 55.737 54.840 -0.003 0.000 0.747 610 L CB -0.155 41.803 42.059 -0.168 0.000 0.903 610 L HN 0.298 nan 8.230 nan 0.000 0.435 611 L N -0.530 120.783 121.223 0.150 0.000 2.127 611 L HA -0.205 4.143 4.340 0.013 0.000 0.211 611 L C 2.701 179.635 176.870 0.106 0.000 1.089 611 L CA 0.997 55.919 54.840 0.136 0.000 0.757 611 L CB -0.713 41.407 42.059 0.101 0.000 0.899 611 L HN 0.276 nan 8.230 nan 0.000 0.434 612 A N 0.077 122.960 122.820 0.106 0.000 2.070 612 A HA -0.130 4.198 4.320 0.013 0.000 0.220 612 A C 1.647 179.295 177.584 0.106 0.000 1.159 612 A CA 0.930 53.022 52.037 0.092 0.000 0.656 612 A CB -0.368 18.686 19.000 0.090 0.000 0.800 612 A HN 0.370 nan 8.150 nan 0.000 0.453 613 R N 0.083 120.660 120.500 0.129 0.000 4.306 613 R HA 0.212 4.560 4.340 0.013 0.000 0.266 613 R C -0.242 176.159 176.300 0.168 0.000 1.624 613 R CA -0.134 56.051 56.100 0.142 0.000 1.487 613 R CB 0.026 30.430 30.300 0.173 0.000 1.441 613 R HN 0.244 nan 8.270 nan 0.000 0.750 614 R N 0.790 121.394 120.500 0.173 0.000 4.306 614 R HA 0.045 4.392 4.340 0.013 0.000 0.266 614 R C 0.155 176.589 176.300 0.223 0.000 1.624 614 R CA -0.079 56.167 56.100 0.243 0.000 1.487 614 R CB 0.361 30.806 30.300 0.242 0.000 1.441 614 R HN 0.295 nan 8.270 nan 0.000 0.750 615 E N -0.415 119.892 120.200 0.178 0.000 2.051 615 E HA -0.108 4.250 4.350 0.013 0.000 0.189 615 E C 1.718 178.394 176.600 0.127 0.000 0.979 615 E CA 0.934 57.411 56.400 0.128 0.000 0.803 615 E CB 0.227 29.982 29.700 0.092 0.000 0.761 615 E HN 0.105 nan 8.360 nan 0.000 0.451 616 V N 0.888 120.898 119.914 0.160 0.000 2.343 616 V HA -0.219 3.909 4.120 0.013 0.000 0.247 616 V C 1.923 178.093 176.094 0.126 0.000 1.051 616 V CA 1.610 63.988 62.300 0.129 0.000 1.036 616 V CB -0.604 31.314 31.823 0.160 0.000 0.654 616 V HN 0.513 nan 8.190 nan 0.000 0.451 617 W N 1.450 122.764 121.300 0.024 0.000 2.379 617 W HA -0.152 4.516 4.660 0.013 0.000 0.307 617 W C 2.010 178.487 176.519 -0.070 0.000 1.200 617 W CA 1.822 59.106 57.345 -0.101 0.000 1.297 617 W CB -0.324 29.077 29.460 -0.099 0.000 1.140 617 W HN 0.330 nan 8.180 nan 0.000 0.507 618 D N 0.174 120.676 120.400 0.170 0.000 2.265 618 D HA -0.186 4.462 4.640 0.013 0.000 0.208 618 D C 1.940 178.200 176.300 -0.067 0.000 0.977 618 D CA 1.474 55.508 54.000 0.056 0.000 0.871 618 D CB -0.311 40.566 40.800 0.128 0.000 0.925 618 D HN 0.447 nan 8.370 nan 0.000 0.485 619 Q N -0.152 119.608 119.800 -0.067 0.000 2.378 619 Q HA 0.070 4.418 4.340 0.013 0.000 0.216 619 Q C 0.615 176.535 176.000 -0.134 0.000 0.892 619 Q CA -0.164 55.593 55.803 -0.077 0.000 0.931 619 Q CB 0.620 29.339 28.738 -0.031 0.000 1.086 619 Q HN 0.120 nan 8.270 nan 0.000 0.528 620 S N 0.507 116.083 115.700 -0.206 0.000 2.573 620 S HA 0.377 4.855 4.470 0.013 0.000 0.277 620 S C 0.337 174.775 174.600 -0.271 0.000 1.346 620 S CA -0.472 57.581 58.200 -0.246 0.000 1.034 620 S CB 1.009 64.006 63.200 -0.337 0.000 0.879 620 S HN 0.246 nan 8.310 nan 0.000 0.528 621 A N 2.097 124.791 122.820 -0.209 0.000 2.445 621 A HA 0.416 4.743 4.320 0.013 0.000 0.242 621 A C 0.204 177.645 177.584 -0.239 0.000 1.075 621 A CA -0.632 51.297 52.037 -0.181 0.000 0.777 621 A CB -0.191 18.734 19.000 -0.124 0.000 1.013 621 A HN 1.123 nan 8.150 nan 0.000 0.493 622 L N 1.828 122.929 121.223 -0.202 0.000 2.500 622 L HA 0.200 4.548 4.340 0.013 0.000 0.272 622 L C -0.295 176.466 176.870 -0.182 0.000 1.149 622 L CA 0.459 55.166 54.840 -0.220 0.000 0.897 622 L CB 0.130 42.099 42.059 -0.151 0.000 1.178 622 L HN 0.623 nan 8.230 nan 0.000 0.473 623 D N 4.258 124.525 120.400 -0.221 0.000 2.472 623 D HA 0.138 4.786 4.640 0.013 0.000 0.234 623 D C 1.026 177.238 176.300 -0.147 0.000 1.088 623 D CA -0.296 53.613 54.000 -0.153 0.000 0.882 623 D CB 1.267 41.981 40.800 -0.144 0.000 1.037 623 D HN 0.421 nan 8.370 nan 0.000 0.520 624 V N 3.754 123.572 119.914 -0.160 0.000 2.287 624 V HA -0.190 3.938 4.120 0.013 0.000 0.248 624 V C 2.533 178.513 176.094 -0.189 0.000 1.053 624 V CA 2.339 64.485 62.300 -0.256 0.000 1.027 624 V CB -0.655 30.876 31.823 -0.488 0.000 0.646 624 V HN 0.676 nan 8.190 nan 0.000 0.447 625 G N -0.286 108.449 108.800 -0.108 0.000 2.440 625 G HA2 -0.282 3.686 3.960 0.013 0.000 0.218 625 G HA3 -0.282 3.686 3.960 0.013 0.000 0.218 625 G C 1.582 176.468 174.900 -0.022 0.000 1.154 625 G CA 1.282 46.355 45.100 -0.045 0.000 0.767 625 G HN 0.447 nan 8.290 nan 0.000 0.552 626 L N 0.855 122.066 121.223 -0.019 0.000 2.056 626 L HA 0.033 4.381 4.340 0.013 0.000 0.207 626 L C 2.946 179.845 176.870 0.049 0.000 1.078 626 L CA 2.526 57.385 54.840 0.032 0.000 0.749 626 L CB -0.929 41.146 42.059 0.028 0.000 0.901 626 L HN 0.188 nan 8.230 nan 0.000 0.433 627 T N -0.335 114.219 114.554 -0.001 0.000 2.746 627 T HA -0.170 4.187 4.350 0.013 0.000 0.267 627 T C 1.942 176.620 174.700 -0.037 0.000 1.039 627 T CA 1.693 63.798 62.100 0.007 0.000 1.142 627 T CB -0.195 68.629 68.868 -0.074 0.000 0.866 627 T HN 0.213 nan 8.240 nan 0.000 0.444 628 M N 1.359 120.922 119.600 -0.060 0.000 2.159 628 M HA -0.073 4.415 4.480 0.013 0.000 0.263 628 M C 2.322 178.610 176.300 -0.020 0.000 1.063 628 M CA 1.434 56.708 55.300 -0.044 0.000 1.110 628 M CB -1.123 31.450 32.600 -0.046 0.000 1.374 628 M HN 0.392 nan 8.290 nan 0.000 0.411 629 Q N 0.134 119.932 119.800 -0.005 0.000 2.124 629 Q HA -0.094 4.253 4.340 0.013 0.000 0.202 629 Q C 1.973 177.956 176.000 -0.028 0.000 0.977 629 Q CA 1.035 56.859 55.803 0.036 0.000 0.850 629 Q CB -0.255 28.529 28.738 0.078 0.000 0.901 629 Q HN 0.502 nan 8.270 nan 0.000 0.429 630 L N 0.190 121.284 121.223 -0.215 0.000 2.552 630 L HA -0.036 4.312 4.340 0.013 0.000 0.227 630 L C 1.491 178.199 176.870 -0.269 0.000 1.146 630 L CA 0.353 54.849 54.840 -0.574 0.000 0.858 630 L CB 0.050 41.833 42.059 -0.460 0.000 0.969 630 L HN 0.221 nan 8.230 nan 0.000 0.451 631 L N -0.622 120.553 121.223 -0.080 0.000 2.728 631 L HA 0.121 4.469 4.340 0.013 0.000 0.238 631 L C 0.483 177.361 176.870 0.013 0.000 1.143 631 L CA -0.442 54.397 54.840 -0.001 0.000 0.937 631 L CB -0.097 41.971 42.059 0.015 0.000 1.225 631 L HN 0.266 nan 8.230 nan 0.000 0.507 632 D N -1.091 119.266 120.400 -0.071 0.000 2.511 632 D HA -0.017 4.630 4.640 0.013 0.000 0.276 632 D C 1.458 177.376 176.300 -0.637 0.000 1.220 632 D CA -0.399 53.277 54.000 -0.540 0.000 1.077 632 D CB 0.386 40.950 40.800 -0.393 0.000 1.126 632 D HN 0.123 nan 8.370 nan 0.000 0.583 633 C N -1.560 117.077 119.300 -1.104 0.000 2.443 633 C HA 0.060 4.528 4.460 0.013 0.000 0.290 633 C C 1.323 176.131 174.990 -0.302 0.000 1.476 633 C CA -0.036 58.668 59.018 -0.522 0.000 1.772 633 C CB -2.031 25.527 27.740 -0.304 0.000 1.714 633 C HN 0.511 nan 8.230 nan 0.000 0.562 634 N N -0.694 117.799 118.700 -0.344 0.000 2.398 634 N HA 0.245 4.993 4.740 0.013 0.000 0.188 634 N C -0.769 174.147 175.510 -0.991 0.000 1.122 634 N CA 0.333 53.024 53.050 -0.599 0.000 0.866 634 N CB 0.074 38.148 38.487 -0.687 0.000 0.970 634 N HN 0.563 nan 8.380 nan 0.000 0.462 635 F N -1.043 118.787 119.950 -0.198 0.000 2.617 635 F HA 0.334 4.868 4.527 0.013 0.000 0.325 635 F C 0.410 176.005 175.800 -0.342 0.000 1.179 635 F CA -0.826 57.026 58.000 -0.248 0.000 0.965 635 F CB 1.920 40.826 39.000 -0.157 0.000 1.232 635 F HN -0.184 nan 8.300 nan 0.000 0.461 636 S N 0.035 115.460 115.700 -0.458 0.000 2.540 636 S HA 0.002 4.480 4.470 0.013 0.000 0.222 636 S C -0.084 174.271 174.600 -0.409 0.000 1.008 636 S CA -0.323 57.550 58.200 -0.544 0.000 0.939 636 S CB -0.080 62.536 63.200 -0.973 0.000 0.865 636 S HN 0.697 nan 8.310 nan 0.000 0.499 637 D N 2.390 122.550 120.400 -0.401 0.000 2.348 637 D HA 0.077 4.725 4.640 0.013 0.000 0.253 637 D C 1.274 177.526 176.300 -0.080 0.000 1.161 637 D CA -0.078 53.799 54.000 -0.204 0.000 0.876 637 D CB 0.757 41.344 40.800 -0.355 0.000 1.160 637 D HN 0.358 nan 8.370 nan 0.000 0.459 638 E N 2.722 122.920 120.200 -0.003 0.000 2.208 638 E HA -0.200 4.158 4.350 0.013 0.000 0.193 638 E C 0.795 177.365 176.600 -0.049 0.000 0.988 638 E CA 0.485 56.880 56.400 -0.009 0.000 0.828 638 E CB -0.005 29.706 29.700 0.019 0.000 0.763 638 E HN 0.368 nan 8.360 nan 0.000 0.478 639 N N 1.107 119.769 118.700 -0.064 0.000 2.216 639 N HA -0.073 4.675 4.740 0.013 0.000 0.183 639 N C 2.005 177.405 175.510 -0.183 0.000 1.017 639 N CA 1.089 54.049 53.050 -0.150 0.000 0.861 639 N CB -0.119 38.174 38.487 -0.322 0.000 0.986 639 N HN 0.081 nan 8.380 nan 0.000 0.428 640 V N 1.859 121.662 119.914 -0.185 0.000 2.307 640 V HA -0.169 3.959 4.120 0.013 0.000 0.245 640 V C 2.243 178.127 176.094 -0.350 0.000 1.045 640 V CA 1.518 63.581 62.300 -0.396 0.000 1.024 640 V CB -0.369 31.229 31.823 -0.375 0.000 0.651 640 V HN 0.258 nan 8.190 nan 0.000 0.449 641 R N 0.128 120.500 120.500 -0.213 0.000 2.189 641 R HA -0.025 4.323 4.340 0.013 0.000 0.223 641 R C 2.311 178.538 176.300 -0.122 0.000 1.092 641 R CA 1.172 57.178 56.100 -0.158 0.000 0.989 641 R CB -0.460 29.793 30.300 -0.078 0.000 0.876 641 R HN 0.540 nan 8.270 nan 0.000 0.457 642 A N 1.891 124.643 122.820 -0.114 0.000 1.968 642 A HA -0.098 4.230 4.320 0.013 0.000 0.217 642 A C 2.186 179.733 177.584 -0.061 0.000 1.169 642 A CA 1.066 53.060 52.037 -0.071 0.000 0.638 642 A CB -0.494 18.471 19.000 -0.059 0.000 0.812 642 A HN 0.443 nan 8.150 nan 0.000 0.446 643 I N -3.034 117.467 120.570 -0.115 0.000 2.439 643 I HA -0.001 4.177 4.170 0.013 0.000 0.251 643 I C 2.300 178.509 176.117 0.154 0.000 1.139 643 I CA 1.238 62.513 61.300 -0.041 0.000 1.438 643 I CB -0.454 37.323 38.000 -0.372 0.000 1.085 643 I HN 0.160 nan 8.210 nan 0.000 0.427 644 A N 1.761 124.591 122.820 0.016 0.000 1.873 644 A HA -0.068 4.260 4.320 0.013 0.000 0.215 644 A C 2.384 179.959 177.584 -0.016 0.000 1.186 644 A CA 2.032 54.122 52.037 0.089 0.000 0.616 644 A CB -1.116 17.857 19.000 -0.046 0.000 0.823 644 A HN 0.330 nan 8.150 nan 0.000 0.442 645 V N 0.536 120.395 119.914 -0.091 0.000 2.490 645 V HA -0.308 3.820 4.120 0.013 0.000 0.250 645 V C 2.681 178.659 176.094 -0.194 0.000 1.061 645 V CA 2.186 64.356 62.300 -0.217 0.000 1.064 645 V CB -0.882 30.850 31.823 -0.152 0.000 0.670 645 V HN 0.772 nan 8.190 nan 0.000 0.461 646 Q N 0.217 119.994 119.800 -0.038 0.000 2.061 646 Q HA -0.261 4.087 4.340 0.013 0.000 0.204 646 Q C 2.260 178.251 176.000 -0.014 0.000 0.984 646 Q CA 1.620 57.434 55.803 0.018 0.000 0.846 646 Q CB -0.027 28.781 28.738 0.117 0.000 0.902 646 Q HN 0.449 nan 8.270 nan 0.000 0.421 647 K N 0.587 120.983 120.400 -0.007 0.000 2.147 647 K HA -0.081 4.247 4.320 0.013 0.000 0.205 647 K C 2.147 178.671 176.600 -0.127 0.000 1.049 647 K CA 0.754 56.980 56.287 -0.103 0.000 0.936 647 K CB -0.348 32.046 32.500 -0.177 0.000 0.722 647 K HN 0.354 nan 8.250 nan 0.000 0.446 648 L N 1.243 122.345 121.223 -0.202 0.000 2.201 648 L HA -0.126 4.222 4.340 0.013 0.000 0.212 648 L C 2.095 178.905 176.870 -0.099 0.000 1.105 648 L CA 0.869 55.544 54.840 -0.275 0.000 0.775 648 L CB -0.417 41.232 42.059 -0.683 0.000 0.913 648 L HN 0.129 nan 8.230 nan 0.000 0.440 649 E N 0.318 120.485 120.200 -0.056 0.000 2.219 649 E HA -0.194 4.164 4.350 0.013 0.000 0.198 649 E C 2.182 178.881 176.600 0.165 0.000 0.998 649 E CA 1.608 58.131 56.400 0.204 0.000 0.818 649 E CB -0.169 29.613 29.700 0.137 0.000 0.741 649 E HN 0.576 nan 8.360 nan 0.000 0.477 650 S N -0.119 115.625 115.700 0.074 0.000 2.593 650 S HA 0.078 4.556 4.470 0.013 0.000 0.217 650 S C 1.025 175.669 174.600 0.074 0.000 0.966 650 S CA -0.209 58.023 58.200 0.054 0.000 0.914 650 S CB -0.195 63.004 63.200 -0.001 0.000 0.776 650 S HN 0.049 nan 8.310 nan 0.000 0.523 651 L N 3.099 124.394 121.223 0.121 0.000 2.410 651 L HA 0.224 4.572 4.340 0.013 0.000 0.273 651 L C 0.752 177.707 176.870 0.143 0.000 1.152 651 L CA -0.405 54.520 54.840 0.143 0.000 0.855 651 L CB 0.553 42.736 42.059 0.207 0.000 1.129 651 L HN 0.477 nan 8.230 nan 0.000 0.463 652 E N 2.063 122.332 120.200 0.116 0.000 2.373 652 E HA 0.035 4.393 4.350 0.013 0.000 0.263 652 E C -0.250 176.417 176.600 0.112 0.000 1.073 652 E CA -0.832 55.628 56.400 0.100 0.000 0.894 652 E CB 0.945 30.690 29.700 0.076 0.000 1.008 652 E HN 0.481 nan 8.360 nan 0.000 0.420 653 D N 1.874 122.334 120.400 0.100 0.000 2.239 653 D HA -0.219 4.429 4.640 0.013 0.000 0.202 653 D C 1.188 177.546 176.300 0.097 0.000 0.993 653 D CA 1.604 55.660 54.000 0.095 0.000 0.874 653 D CB -0.170 40.687 40.800 0.094 0.000 0.922 653 D HN 0.647 nan 8.370 nan 0.000 0.464 654 D N 0.654 121.121 120.400 0.113 0.000 2.084 654 D HA -0.147 4.501 4.640 0.013 0.000 0.194 654 D C 1.471 177.751 176.300 -0.034 0.000 0.990 654 D CA 1.154 55.209 54.000 0.092 0.000 0.826 654 D CB 0.034 40.880 40.800 0.078 0.000 0.971 654 D HN -0.016 nan 8.370 nan 0.000 0.453 655 D N -0.640 119.804 120.400 0.073 0.000 2.183 655 D HA -0.074 4.573 4.640 0.013 0.000 0.203 655 D C 2.269 178.727 176.300 0.262 0.000 0.969 655 D CA 0.333 54.448 54.000 0.192 0.000 0.842 655 D CB 0.105 41.080 40.800 0.293 0.000 0.957 655 D HN 0.148 nan 8.370 nan 0.000 0.484 656 V N 1.341 121.377 119.914 0.204 0.000 2.332 656 V HA -0.227 3.901 4.120 0.013 0.000 0.248 656 V C 2.674 178.860 176.094 0.154 0.000 1.055 656 V CA 1.106 63.541 62.300 0.224 0.000 1.038 656 V CB -0.445 31.474 31.823 0.160 0.000 0.651 656 V HN 0.203 nan 8.190 nan 0.000 0.450 657 L N -1.054 120.193 121.223 0.040 0.000 2.083 657 L HA -0.191 4.157 4.340 0.013 0.000 0.209 657 L C 2.673 179.516 176.870 -0.045 0.000 1.083 657 L CA 1.350 56.161 54.840 -0.049 0.000 0.752 657 L CB -0.771 41.199 42.059 -0.148 0.000 0.899 657 L HN 0.397 nan 8.230 nan 0.000 0.433 658 H N -0.903 118.111 119.070 -0.094 0.000 2.319 658 H HA -0.152 4.412 4.556 0.013 0.000 0.299 658 H C 1.361 176.431 175.328 -0.430 0.000 1.092 658 H CA 1.551 57.394 56.048 -0.341 0.000 1.302 658 H CB -0.177 29.242 29.762 -0.573 0.000 1.373 658 H HN 0.380 nan 8.280 nan 0.000 0.497 659 Y N -0.732 119.654 120.300 0.143 0.000 2.507 659 Y HA 0.070 4.628 4.550 0.013 0.000 0.254 659 Y C 1.906 177.846 175.900 0.066 0.000 1.171 659 Y CA -0.387 57.756 58.100 0.072 0.000 1.238 659 Y CB 0.281 38.786 38.460 0.076 0.000 1.148 659 Y HN -0.003 nan 8.280 nan 0.000 0.525 660 L N 0.362 121.703 121.223 0.196 0.000 1.990 660 L HA -0.231 4.117 4.340 0.013 0.000 0.213 660 L C 2.201 179.142 176.870 0.118 0.000 1.072 660 L CA 1.681 56.652 54.840 0.218 0.000 0.755 660 L CB -0.839 41.397 42.059 0.296 0.000 0.889 660 L HN 0.333 nan 8.230 nan 0.000 0.432 661 L N -0.389 120.771 121.223 -0.105 0.000 2.013 661 L HA -0.270 4.078 4.340 0.013 0.000 0.212 661 L C 2.457 179.171 176.870 -0.260 0.000 1.073 661 L CA 2.012 56.524 54.840 -0.546 0.000 0.753 661 L CB -0.807 40.791 42.059 -0.768 0.000 0.890 661 L HN 0.516 nan 8.230 nan 0.000 0.432 662 Q N -1.176 118.561 119.800 -0.106 0.000 2.331 662 Q HA -0.056 4.292 4.340 0.013 0.000 0.203 662 Q C 2.291 178.314 176.000 0.037 0.000 0.944 662 Q CA 0.914 56.697 55.803 -0.032 0.000 0.892 662 Q CB -0.033 28.716 28.738 0.019 0.000 0.983 662 Q HN 0.525 nan 8.270 nan 0.000 0.482 663 L N 0.058 121.330 121.223 0.082 0.000 2.056 663 L HA -0.157 4.191 4.340 0.013 0.000 0.207 663 L C 2.294 179.225 176.870 0.102 0.000 1.078 663 L CA 0.763 55.675 54.840 0.121 0.000 0.749 663 L CB -0.365 41.809 42.059 0.192 0.000 0.901 663 L HN 0.072 nan 8.230 nan 0.000 0.433 664 V N -0.649 119.299 119.914 0.056 0.000 2.407 664 V HA -0.255 3.873 4.120 0.013 0.000 0.248 664 V C 2.525 178.616 176.094 -0.005 0.000 1.055 664 V CA 1.438 63.747 62.300 0.014 0.000 1.049 664 V CB -0.491 31.290 31.823 -0.070 0.000 0.662 664 V HN 0.484 nan 8.190 nan 0.000 0.455 665 Q N -0.063 119.697 119.800 -0.067 0.000 2.167 665 Q HA -0.049 4.299 4.340 0.013 0.000 0.202 665 Q C 2.397 178.320 176.000 -0.127 0.000 0.970 665 Q CA 1.633 57.375 55.803 -0.102 0.000 0.855 665 Q CB -0.580 28.079 28.738 -0.132 0.000 0.911 665 Q HN 0.649 nan 8.270 nan 0.000 0.438 666 A N 0.536 123.364 122.820 0.012 0.000 2.121 666 A HA -0.071 4.257 4.320 0.013 0.000 0.218 666 A C 2.320 179.932 177.584 0.046 0.000 1.154 666 A CA 0.814 52.934 52.037 0.139 0.000 0.679 666 A CB -0.434 18.690 19.000 0.207 0.000 0.795 666 A HN 0.188 nan 8.150 nan 0.000 0.458 667 V N 0.205 120.132 119.914 0.022 0.000 2.688 667 V HA -0.269 3.859 4.120 0.013 0.000 0.256 667 V C 2.228 178.182 176.094 -0.234 0.000 1.084 667 V CA 2.179 64.482 62.300 0.005 0.000 1.103 667 V CB -0.658 31.271 31.823 0.176 0.000 0.688 667 V HN 0.577 nan 8.190 nan 0.000 0.480 668 K N -0.599 119.489 120.400 -0.519 0.000 2.362 668 K HA -0.070 4.257 4.320 0.013 0.000 0.200 668 K C 1.650 177.871 176.600 -0.631 0.000 1.046 668 K CA 1.291 56.973 56.287 -1.009 0.000 0.952 668 K CB -0.189 31.492 32.500 -1.366 0.000 0.753 668 K HN 0.503 nan 8.250 nan 0.000 0.466 669 F N 1.327 121.187 119.950 -0.151 0.000 2.776 669 F HA 0.067 4.602 4.527 0.013 0.000 0.300 669 F C 0.676 176.428 175.800 -0.079 0.000 1.116 669 F CA -0.334 57.614 58.000 -0.087 0.000 1.375 669 F CB 0.335 39.302 39.000 -0.056 0.000 1.109 669 F HN -0.188 nan 8.300 nan 0.000 0.585 670 E N 1.889 122.122 120.200 0.055 0.000 2.324 670 E HA 0.026 4.384 4.350 0.013 0.000 0.271 670 E C -1.640 174.930 176.600 -0.049 0.000 1.028 670 E CA -1.386 55.028 56.400 0.023 0.000 0.890 670 E CB 0.725 30.448 29.700 0.039 0.000 1.004 670 E HN 0.090 nan 8.360 nan 0.000 0.431 671 P HA -0.093 nan 4.420 nan 0.000 0.217 671 P C -0.347 176.632 177.300 -0.536 0.000 1.150 671 P CA 1.316 64.212 63.100 -0.340 0.000 0.832 671 P CB 0.152 31.611 31.700 -0.403 0.000 0.787 672 Y N -2.509 117.700 120.300 -0.152 0.000 2.487 672 Y HA 0.260 4.817 4.550 0.013 0.000 0.337 672 Y C 2.027 177.838 175.900 -0.147 0.000 1.076 672 Y CA -0.745 57.228 58.100 -0.211 0.000 1.115 672 Y CB 0.678 39.063 38.460 -0.125 0.000 1.235 672 Y HN -0.094 nan 8.280 nan 0.000 0.468 673 H N -0.568 118.581 119.070 0.132 0.000 2.387 673 H HA -0.101 4.463 4.556 0.013 0.000 0.299 673 H C -0.043 175.347 175.328 0.104 0.000 1.090 673 H CA 1.249 57.337 56.048 0.067 0.000 1.332 673 H CB 0.112 29.893 29.762 0.031 0.000 1.386 673 H HN 0.523 nan 8.280 nan 0.000 0.516 674 D N 1.427 121.981 120.400 0.258 0.000 2.396 674 D HA 0.177 4.825 4.640 0.013 0.000 0.225 674 D C -0.350 176.050 176.300 0.167 0.000 1.121 674 D CA -0.146 53.980 54.000 0.210 0.000 0.853 674 D CB 0.584 41.541 40.800 0.261 0.000 1.043 674 D HN 0.257 nan 8.370 nan 0.000 0.500 675 S N 1.446 117.233 115.700 0.145 0.000 2.627 675 S HA 0.663 5.141 4.470 0.013 0.000 0.283 675 S C 0.963 175.633 174.600 0.116 0.000 1.127 675 S CA -0.410 57.862 58.200 0.121 0.000 0.863 675 S CB 1.529 64.798 63.200 0.116 0.000 1.121 675 S HN 0.222 nan 8.310 nan 0.000 0.479 676 A N 0.494 123.371 122.820 0.095 0.000 1.972 676 A HA 0.012 4.339 4.320 0.013 0.000 0.219 676 A C 1.927 179.595 177.584 0.139 0.000 1.169 676 A CA 1.616 53.713 52.037 0.100 0.000 0.635 676 A CB -0.902 18.132 19.000 0.056 0.000 0.810 676 A HN 0.965 nan 8.150 nan 0.000 0.446 677 L N -0.341 120.955 121.223 0.122 0.000 2.027 677 L HA 0.027 4.375 4.340 0.013 0.000 0.206 677 L C 2.630 179.640 176.870 0.232 0.000 1.074 677 L CA 2.108 57.045 54.840 0.161 0.000 0.745 677 L CB -1.048 41.080 42.059 0.116 0.000 0.898 677 L HN 0.320 nan 8.230 nan 0.000 0.433 678 A N -0.083 122.846 122.820 0.182 0.000 1.851 678 A HA -0.254 4.074 4.320 0.013 0.000 0.216 678 A C 2.422 180.109 177.584 0.172 0.000 1.195 678 A CA 2.047 54.189 52.037 0.175 0.000 0.622 678 A CB -0.662 18.430 19.000 0.153 0.000 0.831 678 A HN 0.493 nan 8.150 nan 0.000 0.444 679 R N -1.916 118.683 120.500 0.165 0.000 2.105 679 R HA -0.155 4.193 4.340 0.013 0.000 0.239 679 R C 1.966 178.366 176.300 0.167 0.000 1.135 679 R CA 1.640 57.827 56.100 0.146 0.000 0.967 679 R CB -0.527 29.853 30.300 0.133 0.000 0.861 679 R HN 0.636 nan 8.270 nan 0.000 0.442 680 F N 1.287 121.281 119.950 0.073 0.000 2.075 680 F HA -0.147 4.388 4.527 0.014 0.000 0.297 680 F C 1.790 177.637 175.800 0.078 0.000 1.113 680 F CA 1.432 59.474 58.000 0.071 0.000 1.218 680 F CB -0.268 38.772 39.000 0.066 0.000 0.984 680 F HN -0.119 nan 8.300 nan 0.000 0.472 681 L N -0.233 121.032 121.223 0.069 0.000 2.042 681 L HA -0.225 4.123 4.340 0.013 0.000 0.210 681 L C 2.475 179.306 176.870 -0.065 0.000 1.076 681 L CA 1.157 55.973 54.840 -0.039 0.000 0.749 681 L CB -0.961 41.160 42.059 0.104 0.000 0.893 681 L HN 0.309 nan 8.230 nan 0.000 0.432 682 L N 0.419 121.655 121.223 0.021 0.000 2.012 682 L HA -0.253 4.095 4.340 0.013 0.000 0.210 682 L C 2.606 179.504 176.870 0.048 0.000 1.073 682 L CA 1.941 56.822 54.840 0.068 0.000 0.748 682 L CB -0.576 41.541 42.059 0.096 0.000 0.891 682 L HN 0.172 nan 8.230 nan 0.000 0.431 683 K N -1.250 119.136 120.400 -0.023 0.000 2.025 683 K HA -0.163 4.165 4.320 0.013 0.000 0.207 683 K C 2.174 178.728 176.600 -0.078 0.000 1.049 683 K CA 1.066 57.330 56.287 -0.040 0.000 0.933 683 K CB -0.057 32.416 32.500 -0.045 0.000 0.714 683 K HN 0.175 nan 8.250 nan 0.000 0.438 684 R N 0.014 120.379 120.500 -0.226 0.000 2.115 684 R HA -0.028 4.320 4.340 0.013 0.000 0.230 684 R C 2.386 178.659 176.300 -0.044 0.000 1.111 684 R CA 1.366 57.345 56.100 -0.202 0.000 0.976 684 R CB -1.084 28.963 30.300 -0.422 0.000 0.870 684 R HN 0.468 nan 8.270 nan 0.000 0.445 685 G N 0.681 109.470 108.800 -0.019 0.000 2.408 685 G HA2 -0.153 3.814 3.960 0.013 0.000 0.217 685 G HA3 -0.153 3.814 3.960 0.013 0.000 0.217 685 G C 1.515 176.605 174.900 0.316 0.000 1.150 685 G CA 0.131 45.267 45.100 0.060 0.000 0.776 685 G HN 0.208 nan 8.290 nan 0.000 0.542 686 L N -0.489 120.904 121.223 0.283 0.000 2.341 686 L HA 0.180 4.528 4.340 0.013 0.000 0.214 686 L C 2.770 179.745 176.870 0.174 0.000 1.115 686 L CA 0.210 55.199 54.840 0.249 0.000 0.820 686 L CB -0.127 41.995 42.059 0.104 0.000 0.944 686 L HN 0.133 nan 8.230 nan 0.000 0.452 687 R N 0.175 120.761 120.500 0.144 0.000 2.240 687 R HA -0.014 4.334 4.340 0.013 0.000 0.203 687 R C 0.235 176.697 176.300 0.270 0.000 1.011 687 R CA 0.406 56.588 56.100 0.137 0.000 1.007 687 R CB 0.316 30.655 30.300 0.066 0.000 0.911 687 R HN 0.215 nan 8.270 nan 0.000 0.468 688 N N 0.270 119.136 118.700 0.277 0.000 2.425 688 N HA 0.079 4.827 4.740 0.013 0.000 0.289 688 N C -0.327 175.272 175.510 0.147 0.000 1.074 688 N CA -0.264 52.909 53.050 0.205 0.000 0.905 688 N CB 1.819 40.377 38.487 0.118 0.000 1.586 688 N HN -0.164 nan 8.380 nan 0.000 0.490 689 K N 1.780 122.160 120.400 -0.032 0.000 2.057 689 K HA -0.109 4.219 4.320 0.013 0.000 0.207 689 K C 1.676 178.207 176.600 -0.115 0.000 1.049 689 K CA 1.089 57.278 56.287 -0.164 0.000 0.931 689 K CB 0.209 32.402 32.500 -0.510 0.000 0.714 689 K HN 0.492 nan 8.250 nan 0.000 0.440 690 R N 1.209 121.615 120.500 -0.157 0.000 2.073 690 R HA -0.107 4.240 4.340 0.013 0.000 0.234 690 R C 2.244 178.592 176.300 0.081 0.000 1.134 690 R CA 1.347 57.378 56.100 -0.115 0.000 0.952 690 R CB -0.217 29.959 30.300 -0.206 0.000 0.850 690 R HN 0.136 nan 8.270 nan 0.000 0.433 691 I N 0.008 120.611 120.570 0.056 0.000 2.226 691 I HA -0.183 3.995 4.170 0.013 0.000 0.245 691 I C 2.461 178.594 176.117 0.025 0.000 1.100 691 I CA 1.452 62.794 61.300 0.069 0.000 1.374 691 I CB -0.681 37.339 38.000 0.034 0.000 1.057 691 I HN 0.435 nan 8.210 nan 0.000 0.413 692 G N -0.165 108.665 108.800 0.050 0.000 2.418 692 G HA2 -0.344 3.624 3.960 0.013 0.000 0.217 692 G HA3 -0.344 3.624 3.960 0.013 0.000 0.217 692 G C 1.473 176.357 174.900 -0.026 0.000 1.158 692 G CA 1.318 46.392 45.100 -0.044 0.000 0.771 692 G HN 0.451 nan 8.290 nan 0.000 0.545 693 H N -0.237 118.854 119.070 0.034 0.000 2.290 693 H HA -0.022 4.541 4.556 0.013 0.000 0.298 693 H C 2.186 177.465 175.328 -0.082 0.000 1.087 693 H CA 1.831 57.904 56.048 0.041 0.000 1.291 693 H CB -0.322 29.305 29.762 -0.225 0.000 1.369 693 H HN 0.359 nan 8.280 nan 0.000 0.492 694 F N -0.620 119.265 119.950 -0.109 0.000 2.206 694 F HA -0.087 4.449 4.527 0.014 0.000 0.298 694 F C 2.341 177.670 175.800 -0.784 0.000 1.090 694 F CA 0.594 58.273 58.000 -0.536 0.000 1.323 694 F CB -0.277 38.360 39.000 -0.605 0.000 1.028 694 F HN 0.231 nan 8.300 nan 0.000 0.492 695 L N -0.046 121.002 121.223 -0.292 0.000 2.013 695 L HA -0.257 4.091 4.340 0.013 0.000 0.212 695 L C 2.215 178.873 176.870 -0.353 0.000 1.073 695 L CA 1.725 56.397 54.840 -0.281 0.000 0.753 695 L CB -1.210 40.626 42.059 -0.372 0.000 0.890 695 L HN 0.206 nan 8.230 nan 0.000 0.432 696 F N -0.907 118.662 119.950 -0.634 0.000 2.065 696 F HA -0.289 4.246 4.527 0.013 0.000 0.298 696 F C 1.922 177.341 175.800 -0.634 0.000 1.112 696 F CA 2.156 59.700 58.000 -0.761 0.000 1.212 696 F CB -0.704 37.573 39.000 -1.204 0.000 0.975 696 F HN 0.146 nan 8.300 nan 0.000 0.476 697 W N -0.346 120.748 121.300 -0.342 0.000 2.388 697 W HA -0.093 4.574 4.660 0.012 0.000 0.294 697 W C 2.493 178.921 176.519 -0.152 0.000 1.212 697 W CA 1.153 58.323 57.345 -0.292 0.000 1.271 697 W CB -0.793 28.553 29.460 -0.191 0.000 1.126 697 W HN 0.024 nan 8.180 nan 0.000 0.535 698 F N -0.050 119.906 119.950 0.009 0.000 2.102 698 F HA -0.256 4.279 4.527 0.014 0.000 0.298 698 F C 2.169 177.781 175.800 -0.313 0.000 1.105 698 F CA 0.675 58.609 58.000 -0.110 0.000 1.239 698 F CB -0.801 38.138 39.000 -0.101 0.000 0.991 698 F HN -0.189 nan 8.300 nan 0.000 0.474 699 L N -0.190 120.898 121.223 -0.224 0.000 2.027 699 L HA -0.184 4.164 4.340 0.013 0.000 0.206 699 L C 2.564 179.210 176.870 -0.375 0.000 1.074 699 L CA 1.134 55.710 54.840 -0.440 0.000 0.745 699 L CB -0.614 41.224 42.059 -0.370 0.000 0.898 699 L HN 0.057 nan 8.230 nan 0.000 0.433 700 R N -0.255 119.973 120.500 -0.453 0.000 2.105 700 R HA -0.196 4.152 4.340 0.013 0.000 0.239 700 R C 2.607 178.812 176.300 -0.158 0.000 1.135 700 R CA 1.626 57.475 56.100 -0.419 0.000 0.967 700 R CB -0.216 29.626 30.300 -0.764 0.000 0.861 700 R HN 0.226 nan 8.270 nan 0.000 0.442 701 S N 0.227 115.889 115.700 -0.064 0.000 2.365 701 S HA -0.171 4.307 4.470 0.013 0.000 0.225 701 S C 1.656 176.242 174.600 -0.024 0.000 1.039 701 S CA 1.501 59.712 58.200 0.017 0.000 1.033 701 S CB -0.149 63.091 63.200 0.065 0.000 0.887 701 S HN 0.378 nan 8.310 nan 0.000 0.447 702 E N 0.842 120.981 120.200 -0.101 0.000 2.107 702 E HA 0.027 4.385 4.350 0.013 0.000 0.191 702 E C 2.102 178.741 176.600 0.065 0.000 0.982 702 E CA 0.868 57.247 56.400 -0.034 0.000 0.809 702 E CB -0.446 29.148 29.700 -0.176 0.000 0.756 702 E HN 0.632 nan 8.360 nan 0.000 0.459 703 I N 0.973 121.551 120.570 0.014 0.000 2.567 703 I HA -0.211 3.967 4.170 0.013 0.000 0.257 703 I C 2.233 178.370 176.117 0.034 0.000 1.184 703 I CA 0.878 62.191 61.300 0.022 0.000 1.451 703 I CB -0.199 37.777 38.000 -0.039 0.000 1.089 703 I HN -0.022 nan 8.210 nan 0.000 0.441 704 A N 0.535 123.377 122.820 0.036 0.000 1.984 704 A HA -0.080 4.248 4.320 0.013 0.000 0.214 704 A C 1.813 179.446 177.584 0.082 0.000 1.173 704 A CA 0.681 52.756 52.037 0.064 0.000 0.673 704 A CB -0.090 18.950 19.000 0.066 0.000 0.830 704 A HN 0.597 nan 8.150 nan 0.000 0.453 705 Q N -1.194 118.653 119.800 0.078 0.000 2.084 705 Q HA 0.373 4.721 4.340 0.013 0.000 0.230 705 Q C -0.254 175.802 176.000 0.094 0.000 0.806 705 Q CA 0.158 56.011 55.803 0.085 0.000 1.083 705 Q CB 0.177 28.958 28.738 0.072 0.000 1.208 705 Q HN 0.231 nan 8.270 nan 0.000 0.462 706 S N 0.492 116.256 115.700 0.106 0.000 2.746 706 S HA 0.387 4.864 4.470 0.013 0.000 0.273 706 S C 0.157 174.823 174.600 0.110 0.000 1.172 706 S CA -0.598 57.681 58.200 0.133 0.000 1.116 706 S CB 0.910 64.213 63.200 0.172 0.000 1.057 706 S HN 0.410 nan 8.310 nan 0.000 0.483 707 R N 1.927 122.493 120.500 0.111 0.000 2.148 707 R HA 0.010 4.358 4.340 0.013 0.000 0.223 707 R C 1.140 177.396 176.300 -0.072 0.000 1.088 707 R CA 1.296 57.453 56.100 0.096 0.000 0.985 707 R CB -0.273 30.182 30.300 0.257 0.000 0.880 707 R HN 0.698 nan 8.270 nan 0.000 0.451 708 H N -1.495 117.325 119.070 -0.418 0.000 2.421 708 H HA -0.111 4.452 4.556 0.013 0.000 0.298 708 H C 0.493 175.367 175.328 -0.757 0.000 1.087 708 H CA 1.416 56.979 56.048 -0.809 0.000 1.330 708 H CB 0.125 29.354 29.762 -0.889 0.000 1.388 708 H HN 0.256 nan 8.280 nan 0.000 0.526 709 Y N -0.462 119.781 120.300 -0.095 0.000 2.728 709 Y HA 0.049 4.607 4.550 0.013 0.000 0.256 709 Y C 1.724 177.488 175.900 -0.227 0.000 1.112 709 Y CA -0.386 57.573 58.100 -0.234 0.000 1.240 709 Y CB 0.498 38.740 38.460 -0.363 0.000 1.337 709 Y HN 0.210 nan 8.280 nan 0.000 0.559 710 Q N 0.202 119.970 119.800 -0.053 0.000 2.124 710 Q HA -0.215 4.133 4.340 0.013 0.000 0.202 710 Q C 1.253 177.010 176.000 -0.406 0.000 0.977 710 Q CA 1.774 57.481 55.803 -0.160 0.000 0.850 710 Q CB -0.240 28.360 28.738 -0.230 0.000 0.901 710 Q HN 0.535 nan 8.270 nan 0.000 0.429 711 Q N 0.712 120.239 119.800 -0.455 0.000 2.050 711 Q HA -0.153 4.195 4.340 0.013 0.000 0.202 711 Q C 2.284 178.081 176.000 -0.338 0.000 0.980 711 Q CA 1.658 57.186 55.803 -0.459 0.000 0.840 711 Q CB -0.168 28.390 28.738 -0.300 0.000 0.898 711 Q HN 0.406 nan 8.270 nan 0.000 0.424 712 R N 0.308 120.604 120.500 -0.341 0.000 2.073 712 R HA -0.131 4.217 4.340 0.013 0.000 0.234 712 R C 2.037 178.253 176.300 -0.139 0.000 1.134 712 R CA 1.420 57.334 56.100 -0.310 0.000 0.952 712 R CB -0.294 29.884 30.300 -0.202 0.000 0.850 712 R HN 0.226 nan 8.270 nan 0.000 0.433 713 F N 0.579 120.485 119.950 -0.074 0.000 2.216 713 F HA -0.129 4.406 4.527 0.014 0.000 0.300 713 F C 2.613 178.348 175.800 -0.108 0.000 1.085 713 F CA 0.430 58.382 58.000 -0.080 0.000 1.326 713 F CB -0.147 38.802 39.000 -0.085 0.000 1.027 713 F HN 0.264 nan 8.300 nan 0.000 0.497 714 A N -0.145 122.692 122.820 0.029 0.000 1.902 714 A HA -0.135 4.193 4.320 0.013 0.000 0.217 714 A C 2.256 179.853 177.584 0.021 0.000 1.181 714 A CA 1.619 53.650 52.037 -0.009 0.000 0.623 714 A CB -1.114 17.848 19.000 -0.063 0.000 0.818 714 A HN 0.169 nan 8.150 nan 0.000 0.443 715 V N 0.211 120.125 119.914 -0.001 0.000 2.407 715 V HA -0.246 3.882 4.120 0.013 0.000 0.248 715 V C 2.381 178.504 176.094 0.048 0.000 1.055 715 V CA 1.933 64.241 62.300 0.014 0.000 1.049 715 V CB -0.576 31.231 31.823 -0.027 0.000 0.662 715 V HN 0.570 nan 8.190 nan 0.000 0.455 716 I N -0.786 119.827 120.570 0.073 0.000 2.286 716 I HA -0.201 3.976 4.170 0.013 0.000 0.245 716 I C 2.355 178.529 176.117 0.094 0.000 1.104 716 I CA 1.146 62.508 61.300 0.103 0.000 1.397 716 I CB -0.331 37.762 38.000 0.156 0.000 1.072 716 I HN 0.307 nan 8.210 nan 0.000 0.417 717 L N 1.079 122.335 121.223 0.056 0.000 2.046 717 L HA -0.222 4.126 4.340 0.013 0.000 0.208 717 L C 2.466 179.384 176.870 0.080 0.000 1.077 717 L CA 1.887 56.744 54.840 0.028 0.000 0.747 717 L CB -0.784 41.216 42.059 -0.098 0.000 0.896 717 L HN 0.252 nan 8.230 nan 0.000 0.432 718 E N -0.455 119.774 120.200 0.048 0.000 2.058 718 E HA -0.272 4.086 4.350 0.013 0.000 0.194 718 E C 2.047 178.684 176.600 0.061 0.000 0.997 718 E CA 1.330 57.753 56.400 0.038 0.000 0.801 718 E CB -0.149 29.569 29.700 0.031 0.000 0.746 718 E HN 0.603 nan 8.360 nan 0.000 0.450 719 A N 0.483 123.350 122.820 0.080 0.000 1.908 719 A HA -0.226 4.102 4.320 0.013 0.000 0.218 719 A C 2.069 179.715 177.584 0.103 0.000 1.181 719 A CA 1.681 53.768 52.037 0.083 0.000 0.627 719 A CB -0.984 18.067 19.000 0.086 0.000 0.818 719 A HN 0.607 nan 8.150 nan 0.000 0.445 720 Y N 0.478 120.794 120.300 0.026 0.000 2.133 720 Y HA -0.127 4.430 4.550 0.013 0.000 0.287 720 Y C 1.916 177.850 175.900 0.057 0.000 1.134 720 Y CA 1.810 59.931 58.100 0.035 0.000 1.133 720 Y CB -0.425 38.048 38.460 0.020 0.000 0.987 720 Y HN 0.192 nan 8.280 nan 0.000 0.502 721 L N 0.131 121.300 121.223 -0.089 0.000 2.127 721 L HA -0.218 4.130 4.340 0.013 0.000 0.211 721 L C 2.347 179.163 176.870 -0.090 0.000 1.089 721 L CA 1.429 56.179 54.840 -0.150 0.000 0.757 721 L CB -0.476 41.571 42.059 -0.020 0.000 0.899 721 L HN 0.171 nan 8.230 nan 0.000 0.434 722 R N -0.456 120.035 120.500 -0.016 0.000 2.323 722 R HA -0.004 4.344 4.340 0.013 0.000 0.198 722 R C 1.657 177.964 176.300 0.012 0.000 0.988 722 R CA 0.706 56.855 56.100 0.082 0.000 1.041 722 R CB -0.012 30.354 30.300 0.110 0.000 0.926 722 R HN 0.382 nan 8.270 nan 0.000 0.476 723 G N -0.691 108.053 108.800 -0.093 0.000 3.215 723 G HA2 -0.092 3.876 3.960 0.013 0.000 0.236 723 G HA3 -0.092 3.876 3.960 0.013 0.000 0.236 723 G C 1.274 176.070 174.900 -0.172 0.000 1.029 723 G CA -0.006 45.027 45.100 -0.111 0.000 0.909 723 G HN 0.414 nan 8.290 nan 0.000 0.543 724 C N -0.231 118.888 119.300 -0.301 0.000 2.435 724 C HA 0.534 5.002 4.460 0.013 0.000 0.279 724 C C 1.508 176.505 174.990 0.013 0.000 1.321 724 C CA 0.322 59.189 59.018 -0.252 0.000 1.752 724 C CB -1.020 26.391 27.740 -0.548 0.000 1.959 724 C HN 1.398 nan 8.230 nan 0.000 0.500 725 G N -0.992 107.806 108.800 -0.004 0.000 2.576 725 G HA2 0.084 4.051 3.960 0.013 0.000 0.686 725 G HA3 0.084 4.051 3.960 0.013 0.000 0.686 725 G C 0.023 174.950 174.900 0.043 0.000 1.242 725 G CA -0.108 45.019 45.100 0.044 0.000 0.819 725 G HN 0.307 nan 8.290 nan 0.000 0.655 726 T N 1.125 115.705 114.554 0.043 0.000 2.653 726 T HA -0.094 4.264 4.350 0.013 0.000 0.268 726 T C 2.926 177.645 174.700 0.032 0.000 1.035 726 T CA 3.333 65.460 62.100 0.046 0.000 1.154 726 T CB -0.537 68.344 68.868 0.020 0.000 0.862 726 T HN 1.689 nan 8.240 nan 0.000 0.441 727 A N 1.486 124.312 122.820 0.009 0.000 1.873 727 A HA -0.130 4.197 4.320 0.013 0.000 0.218 727 A C 2.383 179.922 177.584 -0.074 0.000 1.193 727 A CA 1.955 53.984 52.037 -0.013 0.000 0.629 727 A CB -0.729 18.253 19.000 -0.031 0.000 0.826 727 A HN 0.494 nan 8.150 nan 0.000 0.447 728 M N -0.715 118.796 119.600 -0.148 0.000 2.175 728 M HA -0.037 4.451 4.480 0.013 0.000 0.264 728 M C 2.063 178.124 176.300 -0.399 0.000 1.063 728 M CA 1.049 56.109 55.300 -0.399 0.000 1.119 728 M CB -0.519 31.870 32.600 -0.351 0.000 1.377 728 M HN 0.357 nan 8.290 nan 0.000 0.415 729 L N -0.803 120.385 121.223 -0.058 0.000 2.127 729 L HA -0.252 4.096 4.340 0.013 0.000 0.211 729 L C 2.579 179.477 176.870 0.046 0.000 1.089 729 L CA 1.259 56.146 54.840 0.078 0.000 0.757 729 L CB -0.898 41.221 42.059 0.101 0.000 0.899 729 L HN 0.360 nan 8.230 nan 0.000 0.434 730 H N 0.020 119.038 119.070 -0.087 0.000 2.372 730 H HA -0.120 4.442 4.556 0.011 0.000 0.301 730 H C 1.840 177.104 175.328 -0.106 0.000 1.065 730 H CA 1.543 57.549 56.048 -0.069 0.000 1.364 730 H CB 0.059 29.786 29.762 -0.058 0.000 1.406 730 H HN 0.191 nan 8.280 nan 0.000 0.521 731 D N 0.078 120.271 120.400 -0.346 0.000 2.084 731 D HA -0.168 4.480 4.640 0.013 0.000 0.194 731 D C 2.252 178.360 176.300 -0.319 0.000 0.990 731 D CA 1.265 55.016 54.000 -0.415 0.000 0.826 731 D CB -0.737 39.784 40.800 -0.466 0.000 0.971 731 D HN 0.416 nan 8.370 nan 0.000 0.453 732 F N 1.252 121.016 119.950 -0.309 0.000 2.120 732 F HA -0.233 4.302 4.527 0.013 0.000 0.300 732 F C 2.704 178.354 175.800 -0.250 0.000 1.095 732 F CA 1.142 58.853 58.000 -0.482 0.000 1.249 732 F CB -0.642 37.846 39.000 -0.853 0.000 0.995 732 F HN -0.063 nan 8.300 nan 0.000 0.480 733 T N -0.667 113.882 114.554 -0.008 0.000 2.720 733 T HA -0.250 4.108 4.350 0.013 0.000 0.268 733 T C 1.823 176.506 174.700 -0.027 0.000 1.037 733 T CA 1.484 63.582 62.100 -0.003 0.000 1.144 733 T CB -0.345 68.532 68.868 0.015 0.000 0.864 733 T HN 0.351 nan 8.240 nan 0.000 0.444 734 Q N 0.445 120.176 119.800 -0.116 0.000 2.079 734 Q HA -0.102 4.246 4.340 0.013 0.000 0.200 734 Q C 2.641 178.637 176.000 -0.007 0.000 0.974 734 Q CA 1.159 56.911 55.803 -0.085 0.000 0.840 734 Q CB -0.126 28.515 28.738 -0.162 0.000 0.898 734 Q HN 0.636 nan 8.270 nan 0.000 0.430 735 Q N -0.239 119.605 119.800 0.074 0.000 2.050 735 Q HA -0.146 4.202 4.340 0.013 0.000 0.202 735 Q C 2.225 178.363 176.000 0.231 0.000 0.980 735 Q CA 1.521 57.446 55.803 0.203 0.000 0.840 735 Q CB -0.113 28.912 28.738 0.478 0.000 0.898 735 Q HN 0.190 nan 8.270 nan 0.000 0.424 736 V N 1.326 121.382 119.914 0.237 0.000 2.343 736 V HA -0.298 3.830 4.120 0.013 0.000 0.247 736 V C 2.213 178.378 176.094 0.118 0.000 1.051 736 V CA 1.932 64.369 62.300 0.228 0.000 1.036 736 V CB -0.597 31.318 31.823 0.153 0.000 0.654 736 V HN 0.388 nan 8.190 nan 0.000 0.451 737 Q N -0.587 119.242 119.800 0.049 0.000 2.061 737 Q HA -0.188 4.160 4.340 0.013 0.000 0.204 737 Q C 2.346 178.323 176.000 -0.038 0.000 0.984 737 Q CA 2.030 57.837 55.803 0.007 0.000 0.846 737 Q CB -0.390 28.345 28.738 -0.005 0.000 0.902 737 Q HN 0.557 nan 8.270 nan 0.000 0.421 738 V N 0.875 120.719 119.914 -0.117 0.000 2.295 738 V HA -0.273 3.855 4.120 0.013 0.000 0.246 738 V C 2.162 178.165 176.094 -0.152 0.000 1.049 738 V CA 1.704 63.857 62.300 -0.246 0.000 1.024 738 V CB -0.487 30.921 31.823 -0.692 0.000 0.648 738 V HN 0.301 nan 8.190 nan 0.000 0.447 739 I N -0.076 120.484 120.570 -0.017 0.000 2.208 739 I HA -0.258 3.920 4.170 0.013 0.000 0.245 739 I C 2.529 178.698 176.117 0.087 0.000 1.097 739 I CA 1.714 63.117 61.300 0.172 0.000 1.363 739 I CB -0.373 37.817 38.000 0.317 0.000 1.051 739 I HN 0.372 nan 8.210 nan 0.000 0.413 740 E N 0.080 120.319 120.200 0.064 0.000 2.077 740 E HA -0.229 4.129 4.350 0.013 0.000 0.193 740 E C 2.302 178.884 176.600 -0.030 0.000 0.989 740 E CA 1.350 57.773 56.400 0.039 0.000 0.800 740 E CB -0.157 29.569 29.700 0.044 0.000 0.746 740 E HN 0.485 nan 8.360 nan 0.000 0.452 741 M N 0.408 119.969 119.600 -0.065 0.000 2.086 741 M HA -0.161 4.327 4.480 0.013 0.000 0.261 741 M C 2.366 178.569 176.300 -0.162 0.000 1.067 741 M CA 1.410 56.656 55.300 -0.089 0.000 1.116 741 M CB -0.329 32.224 32.600 -0.078 0.000 1.348 741 M HN 0.115 nan 8.290 nan 0.000 0.407 742 L N -0.257 120.792 121.223 -0.292 0.000 2.083 742 L HA -0.220 4.127 4.340 0.013 0.000 0.209 742 L C 2.609 179.157 176.870 -0.537 0.000 1.083 742 L CA 1.268 55.788 54.840 -0.534 0.000 0.752 742 L CB -0.696 40.748 42.059 -1.026 0.000 0.899 742 L HN 0.398 nan 8.230 nan 0.000 0.433 743 Q N 0.141 119.716 119.800 -0.375 0.000 2.096 743 Q HA -0.236 4.112 4.340 0.013 0.000 0.204 743 Q C 2.237 178.195 176.000 -0.069 0.000 0.982 743 Q CA 1.519 57.264 55.803 -0.096 0.000 0.850 743 Q CB -0.082 28.708 28.738 0.087 0.000 0.901 743 Q HN 0.474 nan 8.270 nan 0.000 0.422 744 K N 0.011 120.365 120.400 -0.075 0.000 2.044 744 K HA -0.170 4.158 4.320 0.013 0.000 0.210 744 K C 2.117 178.678 176.600 -0.065 0.000 1.049 744 K CA 1.674 57.927 56.287 -0.057 0.000 0.927 744 K CB -0.253 32.218 32.500 -0.048 0.000 0.713 744 K HN 0.050 nan 8.250 nan 0.000 0.443 745 V N 1.290 121.150 119.914 -0.090 0.000 2.295 745 V HA -0.236 3.892 4.120 0.013 0.000 0.246 745 V C 2.197 178.261 176.094 -0.050 0.000 1.049 745 V CA 2.160 64.417 62.300 -0.072 0.000 1.024 745 V CB -0.761 31.009 31.823 -0.090 0.000 0.648 745 V HN 0.398 nan 8.190 nan 0.000 0.447 746 T N 0.662 115.182 114.554 -0.057 0.000 2.759 746 T HA -0.124 4.233 4.350 0.013 0.000 0.269 746 T C 1.829 176.531 174.700 0.002 0.000 1.042 746 T CA 1.555 63.664 62.100 0.015 0.000 1.140 746 T CB -0.267 68.659 68.868 0.097 0.000 0.864 746 T HN 0.323 nan 8.240 nan 0.000 0.455 747 L N 0.624 121.819 121.223 -0.047 0.000 2.044 747 L HA -0.039 4.309 4.340 0.013 0.000 0.205 747 L C 2.463 179.295 176.870 -0.063 0.000 1.075 747 L CA 1.151 55.929 54.840 -0.103 0.000 0.747 747 L CB -0.644 41.333 42.059 -0.138 0.000 0.903 747 L HN 0.109 nan 8.230 nan 0.000 0.435 748 D N 0.425 120.798 120.400 -0.044 0.000 2.123 748 D HA -0.174 4.474 4.640 0.013 0.000 0.196 748 D C 2.214 178.504 176.300 -0.016 0.000 0.992 748 D CA 1.111 55.094 54.000 -0.029 0.000 0.833 748 D CB -0.044 40.741 40.800 -0.026 0.000 0.954 748 D HN 0.134 nan 8.370 nan 0.000 0.455 749 I N 0.646 121.210 120.570 -0.010 0.000 2.315 749 I HA -0.166 4.012 4.170 0.013 0.000 0.248 749 I C 2.193 178.316 176.117 0.009 0.000 1.117 749 I CA 0.938 62.241 61.300 0.004 0.000 1.404 749 I CB -0.660 37.350 38.000 0.016 0.000 1.071 749 I HN 0.044 nan 8.210 nan 0.000 0.419 750 K N 0.664 121.069 120.400 0.008 0.000 2.147 750 K HA -0.127 4.201 4.320 0.013 0.000 0.205 750 K C 2.155 178.757 176.600 0.004 0.000 1.049 750 K CA 1.408 57.704 56.287 0.015 0.000 0.936 750 K CB 0.161 32.675 32.500 0.023 0.000 0.722 750 K HN 0.147 nan 8.250 nan 0.000 0.446 751 S N 0.763 116.459 115.700 -0.006 0.000 2.453 751 S HA 0.015 4.493 4.470 0.013 0.000 0.231 751 S C 0.905 175.505 174.600 -0.001 0.000 1.005 751 S CA 0.391 58.588 58.200 -0.006 0.000 0.949 751 S CB -0.068 63.125 63.200 -0.011 0.000 0.774 751 S HN 0.165 nan 8.310 nan 0.000 0.510 758 D N 1.752 122.279 120.400 0.212 0.000 2.548 758 D HA 0.192 4.840 4.640 0.013 0.000 0.231 758 D C -0.305 176.036 176.300 0.068 0.000 1.142 758 D CA 0.327 54.386 54.000 0.099 0.000 0.866 758 D CB 0.861 41.700 40.800 0.066 0.000 1.190 758 D HN 0.231 nan 8.370 nan 0.000 0.469 759 V N 2.848 122.786 119.914 0.041 0.000 2.287 759 V HA 0.035 4.163 4.120 0.013 0.000 0.246 759 V C 0.833 176.941 176.094 0.023 0.000 1.165 759 V CA -0.431 61.886 62.300 0.028 0.000 1.088 759 V CB -0.650 31.184 31.823 0.018 0.000 1.242 759 V HN 0.623 nan 8.190 nan 0.000 0.497 760 S N 3.394 119.110 115.700 0.027 0.000 2.572 760 S HA -0.022 4.456 4.470 0.013 0.000 0.262 760 S C 1.695 176.304 174.600 0.014 0.000 1.375 760 S CA 0.163 58.376 58.200 0.021 0.000 0.996 760 S CB 0.681 63.895 63.200 0.024 0.000 0.892 760 S HN 0.932 nan 8.310 nan 0.000 0.562 761 S N 0.252 115.959 115.700 0.011 0.000 2.383 761 S HA -0.245 4.233 4.470 0.013 0.000 0.227 761 S C 1.886 176.491 174.600 0.009 0.000 1.026 761 S CA 1.130 59.335 58.200 0.008 0.000 0.981 761 S CB -0.922 62.281 63.200 0.006 0.000 0.818 761 S HN 0.847 nan 8.310 nan 0.000 0.472 762 Q N 0.401 120.207 119.800 0.010 0.000 2.234 762 Q HA -0.094 4.254 4.340 0.013 0.000 0.206 762 Q C 2.057 178.064 176.000 0.011 0.000 0.980 762 Q CA 1.592 57.401 55.803 0.010 0.000 0.869 762 Q CB -0.188 28.557 28.738 0.011 0.000 0.912 762 Q HN 0.568 nan 8.270 nan 0.000 0.436 763 V N -0.712 119.209 119.914 0.013 0.000 2.575 763 V HA -0.092 4.035 4.120 0.013 0.000 0.242 763 V C 1.953 178.056 176.094 0.015 0.000 1.045 763 V CA 0.534 62.843 62.300 0.014 0.000 1.065 763 V CB -0.139 31.695 31.823 0.018 0.000 0.717 763 V HN 0.375 nan 8.190 nan 0.000 0.467 764 I N 0.704 121.282 120.570 0.014 0.000 2.361 764 I HA -0.147 4.031 4.170 0.013 0.000 0.251 764 I C 2.687 178.810 176.117 0.011 0.000 1.133 764 I CA 2.149 63.457 61.300 0.013 0.000 1.413 764 I CB -0.865 37.140 38.000 0.008 0.000 1.073 764 I HN 0.485 nan 8.210 nan 0.000 0.424 765 S N -0.109 115.596 115.700 0.009 0.000 2.357 765 S HA -0.175 4.303 4.470 0.013 0.000 0.221 765 S C 1.905 176.509 174.600 0.007 0.000 1.031 765 S CA 0.990 59.194 58.200 0.007 0.000 0.982 765 S CB 0.019 63.222 63.200 0.006 0.000 0.853 765 S HN 0.384 nan 8.310 nan 0.000 0.458 766 Q N 0.584 120.388 119.800 0.007 0.000 2.061 766 Q HA -0.108 4.240 4.340 0.013 0.000 0.204 766 Q C 2.237 178.239 176.000 0.004 0.000 0.984 766 Q CA 1.316 57.122 55.803 0.005 0.000 0.846 766 Q CB -0.876 27.865 28.738 0.005 0.000 0.902 766 Q HN 0.533 nan 8.270 nan 0.000 0.421 767 L N 1.502 122.730 121.223 0.009 0.000 1.955 767 L HA -0.210 4.138 4.340 0.013 0.000 0.213 767 L C 2.053 178.926 176.870 0.005 0.000 1.072 767 L CA 2.021 56.867 54.840 0.010 0.000 0.755 767 L CB -0.584 41.488 42.059 0.022 0.000 0.888 767 L HN 0.058 nan 8.230 nan 0.000 0.432 768 K N -0.997 119.407 120.400 0.008 0.000 2.218 768 K HA -0.268 4.060 4.320 0.013 0.000 0.205 768 K C 2.090 178.690 176.600 0.001 0.000 1.046 768 K CA 1.566 57.856 56.287 0.004 0.000 0.933 768 K CB -0.207 32.297 32.500 0.007 0.000 0.728 768 K HN 0.424 nan 8.250 nan 0.000 0.454 769 Q N 1.744 121.545 119.800 0.002 0.000 2.016 769 Q HA -0.116 4.232 4.340 0.013 0.000 0.200 769 Q C 1.595 177.593 176.000 -0.002 0.000 0.978 769 Q CA 1.752 57.555 55.803 0.001 0.000 0.833 769 Q CB 0.046 28.785 28.738 0.002 0.000 0.895 769 Q HN 0.124 nan 8.270 nan 0.000 0.427 770 K N -0.089 120.308 120.400 -0.005 0.000 2.044 770 K HA -0.145 4.182 4.320 0.013 0.000 0.210 770 K C 2.142 178.734 176.600 -0.013 0.000 1.049 770 K CA 1.668 57.949 56.287 -0.010 0.000 0.927 770 K CB -0.346 32.145 32.500 -0.014 0.000 0.713 770 K HN 0.256 nan 8.250 nan 0.000 0.443 771 L N 0.908 122.123 121.223 -0.014 0.000 2.083 771 L HA -0.200 4.148 4.340 0.013 0.000 0.209 771 L C 2.270 179.136 176.870 -0.008 0.000 1.083 771 L CA 1.305 56.134 54.840 -0.018 0.000 0.752 771 L CB -0.464 41.579 42.059 -0.027 0.000 0.899 771 L HN 0.252 nan 8.230 nan 0.000 0.433 772 E N 0.170 120.368 120.200 -0.004 0.000 2.051 772 E HA -0.204 4.154 4.350 0.013 0.000 0.192 772 E C 1.985 178.588 176.600 0.005 0.000 0.991 772 E CA 1.171 57.572 56.400 0.002 0.000 0.799 772 E CB -0.135 29.566 29.700 0.003 0.000 0.748 772 E HN 0.509 nan 8.360 nan 0.000 0.449 773 N N 0.766 119.467 118.700 0.002 0.000 2.104 773 N HA -0.160 4.587 4.740 0.013 0.000 0.190 773 N C 2.073 177.585 175.510 0.005 0.000 1.024 773 N CA 0.971 54.023 53.050 0.003 0.000 0.853 773 N CB -0.186 38.301 38.487 -0.001 0.000 1.008 773 N HN 0.157 nan 8.380 nan 0.000 0.424 774 L N 1.204 122.428 121.223 0.002 0.000 1.988 774 L HA -0.177 4.171 4.340 0.013 0.000 0.207 774 L C 2.757 179.639 176.870 0.020 0.000 1.071 774 L CA 1.175 56.018 54.840 0.005 0.000 0.744 774 L CB -0.614 41.443 42.059 -0.004 0.000 0.893 774 L HN 0.182 nan 8.230 nan 0.000 0.433 775 Q N 0.337 120.152 119.800 0.026 0.000 2.152 775 Q HA -0.171 4.176 4.340 0.013 0.000 0.206 775 Q C 0.251 176.274 176.000 0.038 0.000 0.985 775 Q CA 1.156 56.985 55.803 0.043 0.000 0.863 775 Q CB 0.110 28.872 28.738 0.039 0.000 0.904 775 Q HN 0.398 nan 8.270 nan 0.000 0.422 776 N N 1.182 119.898 118.700 0.026 0.000 2.508 776 N HA 0.004 4.751 4.740 0.013 0.000 0.253 776 N C -0.758 174.766 175.510 0.022 0.000 1.145 776 N CA 0.933 53.998 53.050 0.024 0.000 0.973 776 N CB 0.852 39.350 38.487 0.018 0.000 1.305 776 N HN 0.373 nan 8.380 nan 0.000 0.506 777 S N 0.653 116.369 115.700 0.027 0.000 3.696 777 S HA -0.172 4.306 4.470 0.013 0.000 0.302 777 S C 0.555 175.169 174.600 0.023 0.000 1.182 777 S CA 0.645 58.860 58.200 0.025 0.000 0.857 777 S CB -1.293 61.919 63.200 0.019 0.000 0.960 777 S HN 0.545 nan 8.310 nan 0.000 0.559 778 Q N -0.634 119.182 119.800 0.026 0.000 2.303 778 Q HA 0.402 4.750 4.340 0.013 0.000 0.175 778 Q C 0.708 176.723 176.000 0.025 0.000 0.643 778 Q CA 0.929 56.745 55.803 0.021 0.000 0.871 778 Q CB -0.399 28.347 28.738 0.013 0.000 1.206 778 Q HN 0.852 nan 8.270 nan 0.000 0.424 779 L N 1.565 122.808 121.223 0.032 0.000 2.417 779 L HA 0.536 4.883 4.340 0.013 0.000 0.268 779 L C -2.335 174.571 176.870 0.061 0.000 1.158 779 L CA -1.697 53.165 54.840 0.037 0.000 0.819 779 L CB -0.812 41.279 42.059 0.054 0.000 1.112 779 L HN -0.170 nan 8.230 nan 0.000 0.458 780 P HA 0.037 nan 4.420 nan 0.000 0.264 780 P C 0.175 177.550 177.300 0.126 0.000 1.183 780 P CA 0.046 63.196 63.100 0.083 0.000 0.763 780 P CB 0.416 32.160 31.700 0.073 0.000 0.807 781 E N 0.087 120.348 120.200 0.102 0.000 2.265 781 E HA -0.075 4.283 4.350 0.013 0.000 0.196 781 E C 0.456 177.120 176.600 0.106 0.000 0.996 781 E CA 0.946 57.405 56.400 0.099 0.000 0.832 781 E CB 0.163 29.905 29.700 0.069 0.000 0.756 781 E HN 0.332 nan 8.360 nan 0.000 0.491 782 S N -0.969 114.799 115.700 0.113 0.000 2.543 782 S HA 0.493 4.971 4.470 0.013 0.000 0.274 782 S C -1.854 172.812 174.600 0.110 0.000 1.149 782 S CA -0.980 57.255 58.200 0.058 0.000 0.866 782 S CB 0.829 64.014 63.200 -0.025 0.000 1.111 782 S HN 0.197 nan 8.310 nan 0.000 0.457 783 F N 0.914 120.787 119.950 -0.128 0.000 2.654 783 F HA 0.674 5.206 4.527 0.009 0.000 0.308 783 F C -0.762 174.920 175.800 -0.197 0.000 1.108 783 F CA -1.159 56.746 58.000 -0.158 0.000 0.957 783 F CB 0.983 39.900 39.000 -0.140 0.000 1.309 783 F HN 0.514 nan 8.300 nan 0.000 0.446 784 R N 1.787 122.223 120.500 -0.106 0.000 2.442 784 R HA 0.439 4.787 4.340 0.013 0.000 0.291 784 R C -0.872 175.315 176.300 -0.189 0.000 1.069 784 R CA -0.751 55.210 56.100 -0.233 0.000 1.022 784 R CB 1.390 31.575 30.300 -0.192 0.000 0.976 784 R HN 0.612 nan 8.270 nan 0.000 0.443 785 V N 7.138 126.797 119.914 -0.425 0.000 2.425 785 V HA -0.011 4.117 4.120 0.013 0.000 0.276 785 V C -1.370 174.453 176.094 -0.451 0.000 1.017 785 V CA -0.878 61.125 62.300 -0.494 0.000 1.062 785 V CB 0.935 32.336 31.823 -0.704 0.000 0.997 785 V HN 0.665 nan 8.190 nan 0.000 0.476 786 P HA -0.188 nan 4.420 nan 0.000 0.216 786 P C 1.223 178.370 177.300 -0.254 0.000 1.153 786 P CA 1.646 64.546 63.100 -0.332 0.000 0.858 786 P CB -0.029 31.195 31.700 -0.793 0.000 0.789 787 Y N -2.238 117.986 120.300 -0.126 0.000 2.511 787 Y HA 0.353 4.911 4.550 0.013 0.000 0.279 787 Y C 0.037 175.991 175.900 0.091 0.000 1.157 787 Y CA -0.383 57.740 58.100 0.038 0.000 1.300 787 Y CB -0.680 37.804 38.460 0.041 0.000 1.052 787 Y HN -0.164 nan 8.280 nan 0.000 0.529 788 D N 0.270 120.551 120.400 -0.199 0.000 2.472 788 D HA 0.282 4.930 4.640 0.013 0.000 0.248 788 D C -2.403 173.695 176.300 -0.337 0.000 1.271 788 D CA -2.318 51.613 54.000 -0.114 0.000 0.888 788 D CB 1.266 42.066 40.800 -0.001 0.000 1.337 788 D HN -0.156 nan 8.370 nan 0.000 0.526 789 P HA -0.103 nan 4.420 nan 0.000 0.217 789 P C 1.490 178.520 177.300 -0.450 0.000 1.151 789 P CA 1.459 64.124 63.100 -0.726 0.000 0.849 789 P CB 0.311 31.451 31.700 -0.934 0.000 0.787 790 G N -0.365 108.248 108.800 -0.311 0.000 2.440 790 G HA2 -0.177 3.791 3.960 0.013 0.000 0.218 790 G HA3 -0.177 3.791 3.960 0.013 0.000 0.218 790 G C 0.548 175.288 174.900 -0.268 0.000 1.154 790 G CA 0.231 45.182 45.100 -0.248 0.000 0.767 790 G HN 0.228 nan 8.290 nan 0.000 0.552 791 L N 0.751 121.814 121.223 -0.267 0.000 2.455 791 L HA 0.216 4.564 4.340 0.013 0.000 0.272 791 L C -0.043 176.623 176.870 -0.340 0.000 1.174 791 L CA 0.126 54.804 54.840 -0.270 0.000 0.869 791 L CB 0.923 42.838 42.059 -0.240 0.000 1.130 791 L HN 0.086 nan 8.230 nan 0.000 0.474 792 K N 3.753 123.962 120.400 -0.319 0.000 2.449 792 K HA 0.515 4.843 4.320 0.013 0.000 0.257 792 K C -0.458 175.885 176.600 -0.428 0.000 0.989 792 K CA -0.455 55.609 56.287 -0.371 0.000 0.916 792 K CB 1.725 34.069 32.500 -0.259 0.000 1.136 792 K HN 0.630 nan 8.250 nan 0.000 0.439 793 A N 2.397 124.772 122.820 -0.743 0.000 2.388 793 A HA 0.598 4.926 4.320 0.013 0.000 0.257 793 A C 0.569 177.867 177.584 -0.478 0.000 1.095 793 A CA 0.025 51.613 52.037 -0.749 0.000 0.791 793 A CB 0.671 18.825 19.000 -1.410 0.000 1.029 793 A HN 0.833 nan 8.150 nan 0.000 0.489 794 G N 0.135 108.857 108.800 -0.130 0.000 3.392 794 G HA2 0.566 4.533 3.960 0.013 0.000 0.188 794 G HA3 0.566 4.533 3.960 0.013 0.000 0.188 794 G C 0.410 175.442 174.900 0.220 0.000 1.485 794 G CA 0.193 45.310 45.100 0.030 0.000 0.943 794 G HN 1.395 nan 8.290 nan 0.000 0.627 795 A N -0.590 122.342 122.820 0.185 0.000 2.340 795 A HA 0.625 4.953 4.320 0.013 0.000 0.268 795 A C 0.253 177.955 177.584 0.196 0.000 1.100 795 A CA -0.401 51.755 52.037 0.200 0.000 0.803 795 A CB 0.133 19.198 19.000 0.108 0.000 1.043 795 A HN 0.484 nan 8.150 nan 0.000 0.488 796 L N 0.777 122.061 121.223 0.102 0.000 2.482 796 L HA 0.263 4.611 4.340 0.013 0.000 0.273 796 L C 0.994 177.809 176.870 -0.091 0.000 1.228 796 L CA 0.075 54.800 54.840 -0.192 0.000 0.827 796 L CB 0.723 42.612 42.059 -0.282 0.000 1.099 796 L HN 0.783 nan 8.230 nan 0.000 0.494 797 A N 2.605 125.350 122.820 -0.125 0.000 3.056 797 A HA 0.371 4.699 4.320 0.013 0.000 0.328 797 A C 0.850 178.416 177.584 -0.030 0.000 1.233 797 A CA -0.510 51.506 52.037 -0.036 0.000 0.965 797 A CB -0.238 18.765 19.000 0.006 0.000 1.123 797 A HN 0.667 nan 8.150 nan 0.000 0.502 798 I N 0.614 121.164 120.570 -0.033 0.000 2.229 798 I HA -0.318 3.860 4.170 0.013 0.000 0.250 798 I C 2.088 178.212 176.117 0.011 0.000 1.096 798 I CA 1.876 63.165 61.300 -0.018 0.000 1.358 798 I CB -0.511 37.482 38.000 -0.011 0.000 1.047 798 I HN 0.572 nan 8.210 nan 0.000 0.422 799 E N 0.820 121.031 120.200 0.017 0.000 2.118 799 E HA -0.210 4.148 4.350 0.013 0.000 0.195 799 E C 2.001 178.626 176.600 0.043 0.000 0.992 799 E CA 1.342 57.758 56.400 0.026 0.000 0.804 799 E CB -0.384 29.331 29.700 0.024 0.000 0.741 799 E HN 0.506 nan 8.360 nan 0.000 0.458 800 K N -0.331 120.112 120.400 0.071 0.000 2.400 800 K HA 0.140 4.468 4.320 0.013 0.000 0.194 800 K C 0.025 176.754 176.600 0.214 0.000 1.033 800 K CA -0.010 56.356 56.287 0.133 0.000 1.021 800 K CB 0.203 32.814 32.500 0.185 0.000 0.808 800 K HN 0.086 nan 8.250 nan 0.000 0.505 801 C N 2.872 122.262 119.300 0.151 0.000 2.644 801 C HA 0.225 4.693 4.460 0.013 0.000 0.417 801 C C 0.252 175.332 174.990 0.149 0.000 1.304 801 C CA -0.509 58.621 59.018 0.187 0.000 2.035 801 C CB -0.708 27.068 27.740 0.060 0.000 2.673 801 C HN 0.468 nan 8.230 nan 0.000 0.602 802 K N 0.954 121.474 120.400 0.201 0.000 2.597 802 K HA 0.651 4.979 4.320 0.013 0.000 0.282 802 K C -1.805 174.879 176.600 0.140 0.000 0.975 802 K CA -0.810 55.540 56.287 0.104 0.000 0.867 802 K CB 0.572 33.070 32.500 -0.004 0.000 1.465 802 K HN 0.217 nan 8.250 nan 0.000 0.417 803 V N 2.725 122.689 119.914 0.084 0.000 2.583 803 V HA 0.262 4.390 4.120 0.013 0.000 0.287 803 V C 0.169 176.306 176.094 0.071 0.000 1.051 803 V CA -0.391 61.962 62.300 0.089 0.000 1.010 803 V CB 0.864 32.722 31.823 0.059 0.000 0.988 803 V HN 0.686 nan 8.190 nan 0.000 0.478 804 M N 3.135 122.792 119.600 0.095 0.000 2.342 804 M HA 0.482 4.970 4.480 0.013 0.000 0.332 804 M C 0.682 177.005 176.300 0.038 0.000 1.166 804 M CA -0.469 54.872 55.300 0.069 0.000 1.086 804 M CB 1.317 33.994 32.600 0.128 0.000 1.541 804 M HN 0.663 nan 8.290 nan 0.000 0.462 805 A N 2.088 124.916 122.820 0.014 0.000 2.900 805 A HA 0.235 4.563 4.320 0.013 0.000 0.246 805 A C 0.258 177.847 177.584 0.009 0.000 1.725 805 A CA 0.180 52.224 52.037 0.011 0.000 1.400 805 A CB -0.717 18.285 19.000 0.003 0.000 0.973 805 A HN 0.660 nan 8.150 nan 0.000 0.635 806 S N -0.607 115.101 115.700 0.014 0.000 2.532 806 S HA 0.390 4.868 4.470 0.013 0.000 0.301 806 S C 0.832 175.429 174.600 -0.006 0.000 1.083 806 S CA -0.738 57.464 58.200 0.002 0.000 1.025 806 S CB 1.015 64.223 63.200 0.015 0.000 1.056 806 S HN 0.511 nan 8.310 nan 0.000 0.494 807 K N 1.777 122.165 120.400 -0.020 0.000 2.574 807 K HA 0.038 4.366 4.320 0.013 0.000 0.193 807 K C 0.523 177.121 176.600 -0.002 0.000 1.035 807 K CA 0.805 57.073 56.287 -0.030 0.000 0.982 807 K CB 0.002 32.488 32.500 -0.024 0.000 0.795 807 K HN 0.423 nan 8.250 nan 0.000 0.491 808 K N 0.204 120.618 120.400 0.024 0.000 2.469 808 K HA 0.132 4.460 4.320 0.013 0.000 0.204 808 K C -0.730 175.918 176.600 0.080 0.000 1.047 808 K CA -0.127 56.197 56.287 0.061 0.000 1.072 808 K CB 0.794 33.337 32.500 0.071 0.000 0.863 808 K HN -0.072 nan 8.250 nan 0.000 0.530 809 K N 0.832 121.266 120.400 0.057 0.000 3.311 809 K HA -0.164 4.164 4.320 0.013 0.000 0.270 809 K C -2.754 173.908 176.600 0.103 0.000 0.927 809 K CA 0.061 56.388 56.287 0.067 0.000 0.706 809 K CB -1.498 31.031 32.500 0.049 0.000 1.418 809 K HN 0.174 nan 8.250 nan 0.000 0.459 810 P HA 0.044 nan 4.420 nan 0.000 0.271 810 P C 0.149 177.560 177.300 0.185 0.000 1.218 810 P CA -0.131 63.065 63.100 0.160 0.000 0.780 810 P CB 0.592 32.378 31.700 0.144 0.000 0.901 811 L N 2.523 123.879 121.223 0.222 0.000 2.290 811 L HA 0.276 4.624 4.340 0.013 0.000 0.284 811 L C 0.359 177.397 176.870 0.280 0.000 1.078 811 L CA -0.341 54.637 54.840 0.229 0.000 0.815 811 L CB 0.528 42.708 42.059 0.201 0.000 1.162 811 L HN 0.452 nan 8.230 nan 0.000 0.435 812 W N 6.969 128.324 121.300 0.092 0.000 2.317 812 W HA 0.458 5.124 4.660 0.011 0.000 0.327 812 W C -1.705 174.858 176.519 0.074 0.000 1.036 812 W CA -0.623 56.774 57.345 0.087 0.000 1.419 812 W CB 0.633 30.127 29.460 0.057 0.000 1.253 812 W HN 0.398 nan 8.180 nan 0.000 0.392 813 L N 5.677 126.860 121.223 -0.067 0.000 2.334 813 L HA 0.519 4.867 4.340 0.013 0.000 0.273 813 L C 0.021 176.782 176.870 -0.181 0.000 1.013 813 L CA -0.779 54.020 54.840 -0.068 0.000 0.816 813 L CB 2.109 44.191 42.059 0.039 0.000 1.278 813 L HN 0.244 nan 8.230 nan 0.000 0.431 814 E N 2.175 122.246 120.200 -0.214 0.000 2.275 814 E HA 0.507 4.865 4.350 0.013 0.000 0.270 814 E C -1.598 174.860 176.600 -0.236 0.000 0.882 814 E CA -0.507 55.836 56.400 -0.096 0.000 0.758 814 E CB 2.649 32.371 29.700 0.038 0.000 1.195 814 E HN 0.213 nan 8.360 nan 0.000 0.419 815 F N 0.919 120.901 119.950 0.053 0.000 2.541 815 F HA 0.447 4.981 4.527 0.011 0.000 0.331 815 F C 0.691 176.501 175.800 0.016 0.000 1.057 815 F CA -0.922 57.107 58.000 0.048 0.000 0.975 815 F CB 1.199 40.226 39.000 0.044 0.000 1.246 815 F HN 0.049 nan 8.300 nan 0.000 0.484 816 K N 0.055 120.575 120.400 0.201 0.000 2.087 816 K HA 0.418 4.746 4.320 0.013 0.000 0.255 816 K C -1.018 175.612 176.600 0.051 0.000 0.988 816 K CA -0.752 55.594 56.287 0.099 0.000 0.915 816 K CB 1.553 34.095 32.500 0.070 0.000 1.043 816 K HN 0.635 nan 8.250 nan 0.000 0.457 817 C N 2.195 121.498 119.300 0.005 0.000 2.464 817 C HA 0.278 4.746 4.460 0.013 0.000 0.370 817 C C 1.636 176.592 174.990 -0.056 0.000 1.267 817 C CA -0.340 58.646 59.018 -0.052 0.000 1.781 817 C CB -1.143 26.565 27.740 -0.053 0.000 2.431 817 C HN 0.908 nan 8.230 nan 0.000 0.556 818 A N 3.867 126.633 122.820 -0.091 0.000 2.178 818 A HA -0.019 4.309 4.320 0.013 0.000 0.218 818 A C 1.017 178.561 177.584 -0.065 0.000 1.157 818 A CA 1.019 53.014 52.037 -0.070 0.000 0.689 818 A CB -0.309 18.635 19.000 -0.093 0.000 0.787 818 A HN 0.911 nan 8.150 nan 0.000 0.465 819 D N -0.541 119.810 120.400 -0.082 0.000 2.339 819 D HA 0.289 4.937 4.640 0.013 0.000 0.241 819 D C -1.707 174.558 176.300 -0.059 0.000 1.183 819 D CA -2.079 51.873 54.000 -0.080 0.000 0.859 819 D CB 1.277 42.010 40.800 -0.111 0.000 1.067 819 D HN 0.027 nan 8.370 nan 0.000 0.484 820 P HA -0.112 nan 4.420 nan 0.000 0.217 820 P C 1.240 178.518 177.300 -0.037 0.000 1.150 820 P CA 1.300 64.382 63.100 -0.029 0.000 0.832 820 P CB 0.008 31.698 31.700 -0.017 0.000 0.787 821 T N -3.092 111.431 114.554 -0.052 0.000 3.098 821 T HA 0.117 4.475 4.350 0.013 0.000 0.266 821 T C 0.950 175.596 174.700 -0.090 0.000 1.145 821 T CA 0.205 62.264 62.100 -0.068 0.000 1.092 821 T CB -1.052 67.767 68.868 -0.081 0.000 0.908 821 T HN 0.089 nan 8.240 nan 0.000 0.526 822 A N 1.094 123.867 122.820 -0.078 0.000 2.540 822 A HA 0.461 4.789 4.320 0.013 0.000 0.239 822 A C 1.087 178.630 177.584 -0.067 0.000 1.061 822 A CA -0.439 51.553 52.037 -0.074 0.000 0.758 822 A CB -0.101 18.865 19.000 -0.057 0.000 0.991 822 A HN 0.306 nan 8.150 nan 0.000 0.502 823 L N 2.562 123.738 121.223 -0.079 0.000 2.004 823 L HA 0.037 4.385 4.340 0.013 0.000 0.205 823 L C 2.010 178.850 176.870 -0.050 0.000 1.089 823 L CA 2.125 56.911 54.840 -0.089 0.000 0.756 823 L CB -1.073 40.892 42.059 -0.158 0.000 0.900 823 L HN 0.769 nan 8.230 nan 0.000 0.440 824 S N -0.476 115.203 115.700 -0.035 0.000 2.576 824 S HA -0.023 4.455 4.470 0.013 0.000 0.272 824 S C 0.885 175.487 174.600 0.003 0.000 1.352 824 S CA -0.121 58.074 58.200 -0.009 0.000 1.021 824 S CB 0.226 63.432 63.200 0.011 0.000 0.887 824 S HN 0.352 nan 8.310 nan 0.000 0.542 825 N N 1.330 120.038 118.700 0.014 0.000 2.280 825 N HA 0.132 4.880 4.740 0.013 0.000 0.192 825 N C -0.389 175.142 175.510 0.036 0.000 1.109 825 N CA 0.008 53.071 53.050 0.022 0.000 0.855 825 N CB 0.193 38.694 38.487 0.023 0.000 0.974 825 N HN 0.627 nan 8.380 nan 0.000 0.482 826 E N 1.145 121.371 120.200 0.043 0.000 2.465 826 E HA -0.039 4.319 4.350 0.013 0.000 0.260 826 E C 0.391 177.029 176.600 0.065 0.000 0.980 826 E CA 0.284 56.721 56.400 0.061 0.000 0.927 826 E CB 0.447 30.187 29.700 0.068 0.000 0.934 826 E HN 0.300 nan 8.360 nan 0.000 0.459 827 T N 0.307 114.909 114.554 0.080 0.000 2.766 827 T HA 0.298 4.655 4.350 0.013 0.000 0.295 827 T C 0.529 175.288 174.700 0.099 0.000 1.024 827 T CA -0.617 61.537 62.100 0.090 0.000 1.018 827 T CB 0.522 69.449 68.868 0.100 0.000 1.002 827 T HN 0.289 nan 8.240 nan 0.000 0.532 828 I N 1.656 122.303 120.570 0.127 0.000 2.301 828 I HA 0.379 4.557 4.170 0.013 0.000 0.292 828 I C 1.081 177.312 176.117 0.190 0.000 1.046 828 I CA -0.616 60.767 61.300 0.138 0.000 1.282 828 I CB 0.560 38.611 38.000 0.085 0.000 1.409 828 I HN 0.885 nan 8.210 nan 0.000 0.484 829 G N 7.849 116.704 108.800 0.090 0.000 2.325 829 G HA2 0.681 4.649 3.960 0.013 0.000 0.298 829 G HA3 0.681 4.649 3.960 0.013 0.000 0.298 829 G C -0.540 174.353 174.900 -0.012 0.000 1.134 829 G CA -0.331 44.730 45.100 -0.064 0.000 0.876 829 G HN 0.536 nan 8.290 nan 0.000 0.452 830 I N 2.349 122.928 120.570 0.017 0.000 2.533 830 I HA 0.327 4.505 4.170 0.013 0.000 0.290 830 I C -0.478 175.650 176.117 0.018 0.000 1.056 830 I CA -0.739 60.634 61.300 0.121 0.000 1.057 830 I CB 2.571 40.795 38.000 0.373 0.000 1.240 830 I HN 0.234 nan 8.210 nan 0.000 0.423 831 I N 5.545 126.097 120.570 -0.030 0.000 2.312 831 I HA 0.280 4.458 4.170 0.013 0.000 0.290 831 I C -0.743 175.413 176.117 0.065 0.000 1.008 831 I CA -0.313 60.999 61.300 0.020 0.000 1.226 831 I CB 0.814 38.806 38.000 -0.014 0.000 1.371 831 I HN 0.358 nan 8.210 nan 0.000 0.468 832 F N 6.952 126.955 119.950 0.089 0.000 2.404 832 F HA 0.435 4.971 4.527 0.015 0.000 0.345 832 F C 0.310 176.173 175.800 0.104 0.000 1.110 832 F CA -0.129 57.931 58.000 0.100 0.000 1.130 832 F CB 1.017 40.080 39.000 0.104 0.000 1.129 832 F HN 0.326 nan 8.300 nan 0.000 0.500 833 K N 4.070 124.614 120.400 0.240 0.000 2.535 833 K HA 0.315 4.642 4.320 0.013 0.000 0.251 833 K C -2.044 174.690 176.600 0.223 0.000 0.942 833 K CA -0.729 55.680 56.287 0.202 0.000 0.798 833 K CB 1.420 33.989 32.500 0.115 0.000 1.267 833 K HN 0.821 nan 8.250 nan 0.000 0.434 834 H N 1.471 120.621 119.070 0.134 0.000 2.569 834 H HA 0.601 5.165 4.556 0.013 0.000 0.357 834 H C 0.555 175.936 175.328 0.088 0.000 1.153 834 H CA 1.000 57.115 56.048 0.112 0.000 1.193 834 H CB 2.084 31.913 29.762 0.112 0.000 1.602 834 H HN 0.814 nan 8.280 nan 0.000 0.523 835 G N 3.345 111.786 108.800 -0.599 0.000 2.617 835 G HA2 -0.160 3.808 3.960 0.013 0.000 0.197 835 G HA3 -0.160 3.808 3.960 0.013 0.000 0.197 835 G C -0.597 174.204 174.900 -0.164 0.000 1.017 835 G CA 0.052 44.977 45.100 -0.293 0.000 0.713 835 G HN 0.637 nan 8.290 nan 0.000 0.481 836 D N 0.640 120.977 120.400 -0.104 0.000 2.340 836 D HA 0.511 5.159 4.640 0.013 0.000 0.240 836 D C -1.281 175.003 176.300 -0.028 0.000 1.001 836 D CA -0.369 53.615 54.000 -0.026 0.000 0.888 836 D CB 1.880 42.705 40.800 0.042 0.000 1.310 836 D HN 0.074 nan 8.370 nan 0.000 0.474 837 D N 1.300 121.699 120.400 -0.003 0.000 2.374 837 D HA 0.104 4.752 4.640 0.013 0.000 0.240 837 D C 0.981 177.295 176.300 0.024 0.000 1.229 837 D CA -0.103 53.900 54.000 0.005 0.000 0.895 837 D CB 0.346 41.148 40.800 0.004 0.000 1.046 837 D HN 0.232 nan 8.370 nan 0.000 0.498 838 L N 3.241 124.481 121.223 0.028 0.000 2.551 838 L HA 0.013 4.361 4.340 0.013 0.000 0.228 838 L C 2.304 179.191 176.870 0.029 0.000 1.153 838 L CA 0.277 55.143 54.840 0.044 0.000 0.851 838 L CB -0.112 41.971 42.059 0.040 0.000 0.959 838 L HN 0.364 nan 8.230 nan 0.000 0.451 839 R N -0.090 120.414 120.500 0.007 0.000 2.081 839 R HA -0.188 4.160 4.340 0.013 0.000 0.235 839 R C 2.235 178.509 176.300 -0.043 0.000 1.131 839 R CA 1.394 57.478 56.100 -0.027 0.000 0.960 839 R CB -0.251 30.025 30.300 -0.040 0.000 0.856 839 R HN 0.493 nan 8.270 nan 0.000 0.436 840 Q N 0.428 120.216 119.800 -0.020 0.000 2.096 840 Q HA -0.196 4.152 4.340 0.013 0.000 0.204 840 Q C 1.414 177.415 176.000 0.002 0.000 0.982 840 Q CA 1.880 57.671 55.803 -0.021 0.000 0.850 840 Q CB -0.100 28.644 28.738 0.009 0.000 0.901 840 Q HN 0.399 nan 8.270 nan 0.000 0.422 841 D N 0.252 120.691 120.400 0.064 0.000 2.117 841 D HA -0.147 4.500 4.640 0.013 0.000 0.197 841 D C 1.825 178.121 176.300 -0.006 0.000 0.987 841 D CA 1.212 55.285 54.000 0.123 0.000 0.829 841 D CB -0.013 40.908 40.800 0.202 0.000 0.961 841 D HN 0.174 nan 8.370 nan 0.000 0.460 842 M N -0.039 119.542 119.600 -0.033 0.000 2.073 842 M HA -0.175 4.313 4.480 0.013 0.000 0.258 842 M C 2.168 178.373 176.300 -0.158 0.000 1.070 842 M CA 1.318 56.566 55.300 -0.087 0.000 1.103 842 M CB -0.436 32.113 32.600 -0.086 0.000 1.321 842 M HN 0.078 nan 8.290 nan 0.000 0.405 843 L N -0.078 121.047 121.223 -0.164 0.000 2.042 843 L HA -0.232 4.116 4.340 0.013 0.000 0.210 843 L C 2.486 179.235 176.870 -0.203 0.000 1.076 843 L CA 0.806 55.534 54.840 -0.187 0.000 0.749 843 L CB -0.606 41.352 42.059 -0.169 0.000 0.893 843 L HN 0.336 nan 8.230 nan 0.000 0.432 844 I N -0.228 120.205 120.570 -0.228 0.000 2.252 844 I HA -0.264 3.914 4.170 0.013 0.000 0.245 844 I C 2.479 178.351 176.117 -0.410 0.000 1.102 844 I CA 1.619 62.710 61.300 -0.349 0.000 1.385 844 I CB -0.910 36.775 38.000 -0.524 0.000 1.064 844 I HN 0.262 nan 8.210 nan 0.000 0.414 845 L N -0.052 120.955 121.223 -0.361 0.000 2.093 845 L HA -0.219 4.129 4.340 0.013 0.000 0.208 845 L C 2.626 179.354 176.870 -0.236 0.000 1.085 845 L CA 1.025 55.680 54.840 -0.308 0.000 0.755 845 L CB -0.503 41.384 42.059 -0.286 0.000 0.904 845 L HN 0.228 nan 8.230 nan 0.000 0.435 846 Q N 0.279 119.950 119.800 -0.215 0.000 2.119 846 Q HA -0.171 4.177 4.340 0.013 0.000 0.201 846 Q C 2.117 177.985 176.000 -0.220 0.000 0.972 846 Q CA 1.555 57.239 55.803 -0.198 0.000 0.847 846 Q CB -0.008 28.609 28.738 -0.202 0.000 0.903 846 Q HN 0.316 nan 8.270 nan 0.000 0.433 847 I N 0.281 120.720 120.570 -0.219 0.000 2.286 847 I HA -0.259 3.919 4.170 0.013 0.000 0.248 847 I C 2.105 178.061 176.117 -0.268 0.000 1.115 847 I CA 1.167 62.337 61.300 -0.217 0.000 1.392 847 I CB -1.178 36.719 38.000 -0.172 0.000 1.065 847 I HN 0.308 nan 8.210 nan 0.000 0.418 848 L N 0.128 121.191 121.223 -0.267 0.000 2.046 848 L HA -0.206 4.142 4.340 0.013 0.000 0.208 848 L C 2.804 179.514 176.870 -0.268 0.000 1.077 848 L CA 1.352 56.029 54.840 -0.271 0.000 0.747 848 L CB -0.619 41.306 42.059 -0.225 0.000 0.896 848 L HN 0.219 nan 8.230 nan 0.000 0.432 849 R N 0.077 120.438 120.500 -0.232 0.000 2.092 849 R HA -0.099 4.249 4.340 0.013 0.000 0.231 849 R C 2.278 178.352 176.300 -0.376 0.000 1.119 849 R CA 1.203 57.175 56.100 -0.214 0.000 0.970 849 R CB -0.351 29.873 30.300 -0.126 0.000 0.864 849 R HN 0.343 nan 8.270 nan 0.000 0.440 850 I N 0.714 121.024 120.570 -0.434 0.000 2.286 850 I HA -0.291 3.887 4.170 0.013 0.000 0.248 850 I C 2.430 178.231 176.117 -0.525 0.000 1.115 850 I CA 1.400 62.378 61.300 -0.536 0.000 1.392 850 I CB -0.161 37.593 38.000 -0.409 0.000 1.065 850 I HN 0.200 nan 8.210 nan 0.000 0.418 851 M N -0.180 119.090 119.600 -0.549 0.000 2.175 851 M HA -0.197 4.291 4.480 0.013 0.000 0.264 851 M C 2.127 177.878 176.300 -0.916 0.000 1.063 851 M CA 1.706 56.494 55.300 -0.853 0.000 1.119 851 M CB -0.367 31.659 32.600 -0.956 0.000 1.377 851 M HN 0.195 nan 8.290 nan 0.000 0.415 852 E N 0.197 120.113 120.200 -0.474 0.000 2.028 852 E HA -0.166 4.192 4.350 0.013 0.000 0.191 852 E C 2.109 178.647 176.600 -0.104 0.000 0.988 852 E CA 1.790 58.119 56.400 -0.118 0.000 0.799 852 E CB -0.139 29.545 29.700 -0.027 0.000 0.755 852 E HN 0.538 nan 8.360 nan 0.000 0.447 853 S N 1.247 116.805 115.700 -0.237 0.000 2.374 853 S HA -0.214 4.264 4.470 0.013 0.000 0.227 853 S C 2.105 176.599 174.600 -0.178 0.000 1.037 853 S CA 1.019 59.099 58.200 -0.199 0.000 1.024 853 S CB -0.693 62.224 63.200 -0.473 0.000 0.861 853 S HN 0.184 nan 8.310 nan 0.000 0.456 854 I N -0.030 120.333 120.570 -0.346 0.000 2.091 854 I HA -0.196 3.982 4.170 0.013 0.000 0.239 854 I C 2.588 178.625 176.117 -0.134 0.000 1.061 854 I CA 1.712 62.764 61.300 -0.415 0.000 1.317 854 I CB -0.548 37.038 38.000 -0.690 0.000 1.031 854 I HN 0.380 nan 8.210 nan 0.000 0.401 855 W N 1.246 122.471 121.300 -0.125 0.000 2.364 855 W HA -0.203 4.465 4.660 0.013 0.000 0.281 855 W C 2.494 179.025 176.519 0.021 0.000 1.219 855 W CA 1.279 58.584 57.345 -0.066 0.000 1.220 855 W CB -0.917 28.477 29.460 -0.110 0.000 1.127 855 W HN 0.366 nan 8.180 nan 0.000 0.556 856 E N 0.136 120.480 120.200 0.240 0.000 2.106 856 E HA -0.190 4.168 4.350 0.013 0.000 0.192 856 E C 2.191 178.892 176.600 0.169 0.000 0.984 856 E CA 2.193 58.743 56.400 0.250 0.000 0.806 856 E CB -0.059 29.750 29.700 0.181 0.000 0.750 856 E HN 0.185 nan 8.360 nan 0.000 0.458 857 T N -0.801 113.824 114.554 0.119 0.000 2.833 857 T HA -0.100 4.258 4.350 0.013 0.000 0.269 857 T C 1.356 176.134 174.700 0.130 0.000 1.054 857 T CA 1.009 63.173 62.100 0.107 0.000 1.135 857 T CB -0.098 68.834 68.868 0.107 0.000 0.869 857 T HN 0.080 nan 8.240 nan 0.000 0.466 858 E N 1.132 121.434 120.200 0.170 0.000 2.489 858 E HA 0.196 4.554 4.350 0.013 0.000 0.193 858 E C 0.894 177.587 176.600 0.154 0.000 1.057 858 E CA 0.308 56.806 56.400 0.163 0.000 0.866 858 E CB -0.077 29.741 29.700 0.197 0.000 0.916 858 E HN 0.578 nan 8.360 nan 0.000 0.500 859 S N -0.228 115.590 115.700 0.197 0.000 3.382 859 S HA -0.179 4.299 4.470 0.013 0.000 0.293 859 S C 0.328 175.167 174.600 0.397 0.000 1.262 859 S CA 0.344 58.702 58.200 0.264 0.000 0.969 859 S CB -1.685 61.601 63.200 0.143 0.000 1.136 859 S HN 0.298 nan 8.310 nan 0.000 0.635 860 L N 1.823 123.188 121.223 0.236 0.000 2.334 860 L HA 0.500 4.848 4.340 0.013 0.000 0.277 860 L C 0.216 176.986 176.870 -0.167 0.000 1.075 860 L CA -0.179 54.648 54.840 -0.022 0.000 0.804 860 L CB 0.843 42.797 42.059 -0.176 0.000 1.174 860 L HN 0.089 nan 8.230 nan 0.000 0.438 861 D N 4.010 124.122 120.400 -0.479 0.000 2.378 861 D HA 0.206 4.854 4.640 0.013 0.000 0.265 861 D C -0.791 175.258 176.300 -0.418 0.000 1.229 861 D CA -0.448 53.202 54.000 -0.584 0.000 0.914 861 D CB 0.769 40.873 40.800 -1.158 0.000 1.140 861 D HN 0.091 nan 8.370 nan 0.000 0.516 862 L N 1.970 122.939 121.223 -0.423 0.000 2.380 862 L HA 0.239 4.586 4.340 0.013 0.000 0.273 862 L C 0.759 177.568 176.870 -0.102 0.000 1.138 862 L CA -0.297 54.329 54.840 -0.356 0.000 0.832 862 L CB 0.882 42.562 42.059 -0.631 0.000 1.124 862 L HN 0.470 nan 8.230 nan 0.000 0.454 863 C N 5.207 124.513 119.300 0.011 0.000 2.700 863 C HA 0.312 4.780 4.460 0.013 0.000 0.529 863 C C 1.044 176.116 174.990 0.137 0.000 1.093 863 C CA -0.850 58.212 59.018 0.073 0.000 1.320 863 C CB -1.732 26.069 27.740 0.100 0.000 1.478 863 C HN 0.485 nan 8.230 nan 0.000 0.598 864 L N 1.564 122.838 121.223 0.086 0.000 2.452 864 L HA 0.246 4.594 4.340 0.013 0.000 0.267 864 L C 0.158 177.147 176.870 0.197 0.000 1.188 864 L CA -0.235 54.670 54.840 0.109 0.000 0.821 864 L CB 0.453 42.458 42.059 -0.091 0.000 1.102 864 L HN 0.243 nan 8.230 nan 0.000 0.470 865 L N 4.255 125.685 121.223 0.346 0.000 2.581 865 L HA 0.337 4.685 4.340 0.013 0.000 0.241 865 L C -2.067 174.930 176.870 0.212 0.000 1.265 865 L CA -1.554 53.377 54.840 0.151 0.000 0.954 865 L CB 0.380 42.325 42.059 -0.189 0.000 1.269 865 L HN 0.273 nan 8.230 nan 0.000 0.475 866 P HA 0.074 nan 4.420 nan 0.000 0.241 866 P C -0.573 176.670 177.300 -0.095 0.000 1.760 866 P CA -0.208 62.874 63.100 -0.030 0.000 1.081 866 P CB -0.824 30.845 31.700 -0.051 0.000 1.975 867 Y N -0.373 119.948 120.300 0.036 0.000 2.607 867 Y HA 0.315 4.873 4.550 0.013 0.000 0.348 867 Y C 1.198 177.057 175.900 -0.068 0.000 1.261 867 Y CA -1.107 56.963 58.100 -0.049 0.000 1.480 867 Y CB -0.409 38.007 38.460 -0.074 0.000 1.358 867 Y HN 0.221 nan 8.280 nan 0.000 0.630 868 G N 0.250 109.009 108.800 -0.068 0.000 2.380 868 G HA2 0.302 4.270 3.960 0.013 0.000 0.242 868 G HA3 0.302 4.270 3.960 0.013 0.000 0.242 868 G C -1.221 173.600 174.900 -0.131 0.000 1.298 868 G CA -0.138 44.857 45.100 -0.175 0.000 0.878 868 G HN 1.084 nan 8.290 nan 0.000 0.542 869 C N 4.536 123.834 119.300 -0.004 0.000 2.705 869 C HA 0.577 5.044 4.460 0.013 0.000 0.369 869 C C -1.152 173.886 174.990 0.080 0.000 1.069 869 C CA -0.999 58.042 59.018 0.040 0.000 1.260 869 C CB 0.022 27.792 27.740 0.050 0.000 1.764 869 C HN 0.582 nan 8.230 nan 0.000 0.469 870 I N 5.115 125.711 120.570 0.044 0.000 2.447 870 I HA 0.312 4.490 4.170 0.013 0.000 0.287 870 I C 0.470 176.575 176.117 -0.020 0.000 1.023 870 I CA 0.198 61.512 61.300 0.024 0.000 1.083 870 I CB 1.748 39.674 38.000 -0.123 0.000 1.245 870 I HN 0.743 nan 8.210 nan 0.000 0.434 871 S N 3.813 119.540 115.700 0.046 0.000 2.481 871 S HA 0.277 4.755 4.470 0.013 0.000 0.276 871 S C 1.121 175.773 174.600 0.086 0.000 1.247 871 S CA -0.010 58.218 58.200 0.047 0.000 1.053 871 S CB 0.251 63.482 63.200 0.052 0.000 0.925 871 S HN 0.794 nan 8.310 nan 0.000 0.491 872 T N 1.769 116.374 114.554 0.085 0.000 2.955 872 T HA 0.506 4.864 4.350 0.013 0.000 0.251 872 T C 0.821 175.632 174.700 0.185 0.000 1.002 872 T CA 0.272 62.479 62.100 0.179 0.000 0.970 872 T CB 0.309 69.269 68.868 0.153 0.000 1.091 872 T HN 0.738 nan 8.240 nan 0.000 0.495 873 G N 0.604 109.491 108.800 0.146 0.000 2.753 873 G HA2 0.461 4.429 3.960 0.013 0.000 0.303 873 G HA3 0.461 4.429 3.960 0.013 0.000 0.303 873 G C -1.995 172.978 174.900 0.122 0.000 1.242 873 G CA -0.613 44.572 45.100 0.141 0.000 0.810 873 G HN 0.101 nan 8.290 nan 0.000 0.515 874 D N 0.602 121.083 120.400 0.134 0.000 2.358 874 D HA 0.245 4.893 4.640 0.013 0.000 0.258 874 D C 0.524 176.888 176.300 0.107 0.000 1.223 874 D CA 0.174 54.246 54.000 0.120 0.000 0.886 874 D CB 0.191 41.073 40.800 0.136 0.000 1.120 874 D HN 0.478 nan 8.370 nan 0.000 0.482 875 K N 2.082 122.498 120.400 0.027 0.000 3.078 875 K HA -0.220 4.108 4.320 0.013 0.000 0.261 875 K C -0.312 176.235 176.600 -0.088 0.000 0.947 875 K CA 0.492 56.728 56.287 -0.085 0.000 0.702 875 K CB -1.371 30.991 32.500 -0.230 0.000 1.318 875 K HN 0.576 nan 8.250 nan 0.000 0.473 876 I N -1.369 119.235 120.570 0.057 0.000 2.731 876 I HA 0.516 4.694 4.170 0.013 0.000 0.289 876 I C -0.403 175.771 176.117 0.096 0.000 1.399 876 I CA -0.387 60.996 61.300 0.138 0.000 1.048 876 I CB 1.803 39.988 38.000 0.308 0.000 1.345 876 I HN 0.184 nan 8.210 nan 0.000 0.425 877 G N 6.640 115.452 108.800 0.020 0.000 2.548 877 G HA2 0.528 4.496 3.960 0.013 0.000 0.301 877 G HA3 0.528 4.496 3.960 0.013 0.000 0.301 877 G C -1.585 173.093 174.900 -0.369 0.000 1.349 877 G CA -0.848 44.175 45.100 -0.128 0.000 0.792 877 G HN 0.703 nan 8.290 nan 0.000 0.481 878 M N -0.649 118.682 119.600 -0.448 0.000 2.644 878 M HA 0.871 5.359 4.480 0.013 0.000 0.316 878 M C -1.196 175.010 176.300 -0.157 0.000 1.200 878 M CA -0.824 54.185 55.300 -0.485 0.000 0.944 878 M CB 2.174 34.421 32.600 -0.589 0.000 1.691 878 M HN 0.342 nan 8.290 nan 0.000 0.471 879 I N 0.742 121.247 120.570 -0.109 0.000 2.582 879 I HA 0.315 4.492 4.170 0.013 0.000 0.292 879 I C -0.425 175.567 176.117 -0.208 0.000 1.066 879 I CA -0.680 60.571 61.300 -0.082 0.000 1.053 879 I CB 2.322 40.317 38.000 -0.008 0.000 1.241 879 I HN 0.839 nan 8.210 nan 0.000 0.421 880 E N 6.263 126.183 120.200 -0.466 0.000 2.376 880 E HA 0.209 4.567 4.350 0.013 0.000 0.266 880 E C -0.827 175.619 176.600 -0.255 0.000 1.009 880 E CA -0.302 55.749 56.400 -0.582 0.000 0.902 880 E CB 0.873 30.076 29.700 -0.829 0.000 0.972 880 E HN 0.450 nan 8.360 nan 0.000 0.439 881 I N 5.620 126.075 120.570 -0.192 0.000 2.308 881 I HA 0.039 4.217 4.170 0.013 0.000 0.293 881 I C -0.137 175.928 176.117 -0.086 0.000 1.078 881 I CA -0.586 60.590 61.300 -0.206 0.000 1.292 881 I CB 1.012 38.763 38.000 -0.416 0.000 1.423 881 I HN 0.327 nan 8.210 nan 0.000 0.493 882 V N 7.721 127.600 119.914 -0.058 0.000 2.585 882 V HA 0.050 4.177 4.120 0.013 0.000 0.296 882 V C 0.685 176.832 176.094 0.088 0.000 1.035 882 V CA -0.440 61.851 62.300 -0.014 0.000 1.084 882 V CB 0.396 32.143 31.823 -0.127 0.000 0.953 882 V HN 0.531 nan 8.190 nan 0.000 0.483 883 K N 3.209 123.667 120.400 0.096 0.000 2.270 883 K HA 0.181 4.508 4.320 0.013 0.000 0.276 883 K C 0.203 176.908 176.600 0.176 0.000 1.023 883 K CA -0.107 56.266 56.287 0.144 0.000 0.955 883 K CB 0.392 32.965 32.500 0.121 0.000 0.975 883 K HN 0.790 nan 8.250 nan 0.000 0.471 884 D N -0.494 120.032 120.400 0.209 0.000 2.746 884 D HA -0.186 4.462 4.640 0.013 0.000 0.236 884 D C -0.638 175.838 176.300 0.293 0.000 1.129 884 D CA 1.086 55.222 54.000 0.227 0.000 0.691 884 D CB -1.085 39.824 40.800 0.181 0.000 1.077 884 D HN 0.616 nan 8.370 nan 0.000 0.432 885 A N -0.165 122.834 122.820 0.297 0.000 2.374 885 A HA 0.822 5.150 4.320 0.013 0.000 0.317 885 A C 0.300 178.012 177.584 0.213 0.000 1.094 885 A CA 0.143 52.364 52.037 0.306 0.000 0.765 885 A CB 2.510 21.753 19.000 0.405 0.000 1.268 885 A HN 0.186 nan 8.150 nan 0.000 0.438 886 T N -0.407 114.193 114.554 0.076 0.000 2.864 886 T HA 0.622 4.980 4.350 0.013 0.000 0.299 886 T C -0.044 174.542 174.700 -0.189 0.000 1.166 886 T CA -0.198 61.878 62.100 -0.041 0.000 1.007 886 T CB 1.223 70.072 68.868 -0.033 0.000 1.219 886 T HN 0.677 nan 8.240 nan 0.000 0.506 887 T N 3.560 118.010 114.554 -0.173 0.000 2.900 887 T HA 0.208 4.566 4.350 0.013 0.000 0.307 887 T C 1.627 176.187 174.700 -0.232 0.000 1.065 887 T CA -0.655 61.320 62.100 -0.209 0.000 1.105 887 T CB 0.251 69.026 68.868 -0.154 0.000 0.979 887 T HN 0.503 nan 8.240 nan 0.000 0.544 888 I N 1.520 121.969 120.570 -0.203 0.000 2.315 888 I HA -0.097 4.081 4.170 0.013 0.000 0.248 888 I C 2.627 178.694 176.117 -0.082 0.000 1.117 888 I CA 1.154 62.386 61.300 -0.114 0.000 1.404 888 I CB -1.668 36.329 38.000 -0.006 0.000 1.071 888 I HN 0.763 nan 8.210 nan 0.000 0.419 889 A N 0.590 123.347 122.820 -0.105 0.000 1.930 889 A HA -0.220 4.108 4.320 0.013 0.000 0.217 889 A C 2.443 180.028 177.584 0.002 0.000 1.175 889 A CA 1.557 53.580 52.037 -0.023 0.000 0.627 889 A CB -0.470 18.488 19.000 -0.070 0.000 0.815 889 A HN 0.358 nan 8.150 nan 0.000 0.443 890 K N -0.106 120.261 120.400 -0.054 0.000 2.097 890 K HA -0.007 4.321 4.320 0.013 0.000 0.205 890 K C 1.578 178.148 176.600 -0.050 0.000 1.050 890 K CA 1.266 57.528 56.287 -0.042 0.000 0.938 890 K CB -0.268 32.198 32.500 -0.058 0.000 0.718 890 K HN 0.504 nan 8.250 nan 0.000 0.442 891 I N 1.088 121.583 120.570 -0.126 0.000 2.916 891 I HA -0.224 3.954 4.170 0.013 0.000 0.267 891 I C 1.902 178.004 176.117 -0.024 0.000 1.263 891 I CA 0.983 62.195 61.300 -0.147 0.000 1.471 891 I CB -0.080 37.686 38.000 -0.390 0.000 1.089 891 I HN 0.310 nan 8.210 nan 0.000 0.468 892 Q N -0.158 119.641 119.800 -0.001 0.000 2.396 892 Q HA -0.006 4.342 4.340 0.013 0.000 0.220 892 Q C 1.866 177.854 176.000 -0.020 0.000 0.900 892 Q CA 0.255 56.065 55.803 0.012 0.000 0.925 892 Q CB 0.195 28.988 28.738 0.093 0.000 1.065 892 Q HN 0.558 nan 8.270 nan 0.000 0.535 893 Q N 0.387 120.190 119.800 0.005 0.000 2.291 893 Q HA -0.060 4.288 4.340 0.013 0.000 0.205 893 Q C 1.942 177.936 176.000 -0.010 0.000 0.970 893 Q CA 1.022 56.826 55.803 0.002 0.000 0.876 893 Q CB 0.134 28.890 28.738 0.031 0.000 0.935 893 Q HN 0.169 nan 8.270 nan 0.000 0.455 894 S N 0.187 115.888 115.700 0.001 0.000 2.345 894 S HA -0.124 4.354 4.470 0.013 0.000 0.220 894 S C 2.053 176.642 174.600 -0.018 0.000 1.031 894 S CA 1.590 59.796 58.200 0.010 0.000 0.996 894 S CB -0.346 62.885 63.200 0.052 0.000 0.882 894 S HN 0.402 nan 8.310 nan 0.000 0.445 895 T N 1.527 116.060 114.554 -0.036 0.000 2.701 895 T HA 0.038 4.396 4.350 0.013 0.000 0.263 895 T C 0.524 175.168 174.700 -0.094 0.000 1.040 895 T CA 0.915 62.972 62.100 -0.073 0.000 1.147 895 T CB -0.022 68.787 68.868 -0.097 0.000 0.865 895 T HN 0.156 nan 8.240 nan 0.000 0.426 896 V N 0.814 120.658 119.914 -0.117 0.000 2.488 896 V HA 0.611 4.739 4.120 0.013 0.000 0.293 896 V C 0.865 176.882 176.094 -0.129 0.000 1.027 896 V CA -0.756 61.458 62.300 -0.143 0.000 0.862 896 V CB 1.360 33.051 31.823 -0.220 0.000 1.008 896 V HN 0.438 nan 8.190 nan 0.000 0.428 897 G N 2.921 111.677 108.800 -0.073 0.000 2.583 897 G HA2 -0.018 3.950 3.960 0.013 0.000 0.215 897 G HA3 -0.018 3.950 3.960 0.013 0.000 0.215 897 G C 1.044 175.958 174.900 0.024 0.000 1.481 897 G CA 0.491 45.580 45.100 -0.020 0.000 0.948 897 G HN 0.586 nan 8.290 nan 0.000 0.511 898 N N 0.998 119.719 118.700 0.034 0.000 2.137 898 N HA -0.071 4.677 4.740 0.013 0.000 0.190 898 N C 1.433 177.068 175.510 0.207 0.000 1.017 898 N CA 1.418 54.528 53.050 0.101 0.000 0.859 898 N CB -0.805 37.708 38.487 0.044 0.000 1.002 898 N HN 0.513 nan 8.380 nan 0.000 0.428 899 T N -2.664 111.899 114.554 0.015 0.000 2.889 899 T HA 0.479 4.837 4.350 0.013 0.000 0.291 899 T C 1.030 175.335 174.700 -0.658 0.000 0.995 899 T CA -0.730 61.281 62.100 -0.148 0.000 1.092 899 T CB 1.628 70.395 68.868 -0.169 0.000 0.954 899 T HN 0.150 nan 8.240 nan 0.000 0.506 900 G N 1.166 109.046 108.800 -1.533 0.000 3.397 900 G HA2 0.418 4.386 3.960 0.013 0.000 0.248 900 G HA3 0.418 4.386 3.960 0.013 0.000 0.248 900 G C 0.699 174.651 174.900 -1.580 0.000 1.284 900 G CA -0.346 43.372 45.100 -2.303 0.000 1.570 900 G HN 1.178 nan 8.290 nan 0.000 0.587 901 A N 0.948 123.179 122.820 -0.981 0.000 3.051 901 A HA 0.523 4.851 4.320 0.013 0.000 0.257 901 A C 0.128 177.295 177.584 -0.696 0.000 1.785 901 A CA -0.707 50.935 52.037 -0.658 0.000 1.420 901 A CB -0.878 17.881 19.000 -0.402 0.000 1.063 901 A HN 0.339 nan 8.150 nan 0.000 0.630 902 F N 0.740 120.307 119.950 -0.638 0.000 2.608 902 F HA 0.109 4.644 4.527 0.013 0.000 0.380 902 F C 1.037 176.329 175.800 -0.846 0.000 1.083 902 F CA 0.760 58.209 58.000 -0.918 0.000 1.266 902 F CB 0.538 38.477 39.000 -1.768 0.000 1.076 902 F HN 0.262 nan 8.300 nan 0.000 0.574 903 K N 2.456 122.634 120.400 -0.370 0.000 2.203 903 K HA 0.198 4.526 4.320 0.013 0.000 0.251 903 K C -0.077 176.480 176.600 -0.071 0.000 0.944 903 K CA -0.841 55.311 56.287 -0.225 0.000 0.829 903 K CB 1.658 34.047 32.500 -0.185 0.000 1.125 903 K HN 0.442 nan 8.250 nan 0.000 0.430 904 D N 1.571 121.960 120.400 -0.019 0.000 2.117 904 D HA -0.131 4.517 4.640 0.013 0.000 0.198 904 D C 0.845 176.977 176.300 -0.280 0.000 0.982 904 D CA 1.518 55.541 54.000 0.039 0.000 0.828 904 D CB 0.274 41.074 40.800 0.000 0.000 0.967 904 D HN 0.559 nan 8.370 nan 0.000 0.464 905 E N 0.133 119.980 120.200 -0.588 0.000 2.442 905 E HA 0.002 4.360 4.350 0.013 0.000 0.195 905 E C 2.042 178.687 176.600 0.075 0.000 1.030 905 E CA -0.047 55.815 56.400 -0.897 0.000 0.869 905 E CB 0.411 29.658 29.700 -0.755 0.000 0.857 905 E HN 0.062 nan 8.360 nan 0.000 0.505 906 V N 1.833 121.793 119.914 0.077 0.000 2.324 906 V HA -0.295 3.833 4.120 0.013 0.000 0.250 906 V C 2.299 178.574 176.094 0.301 0.000 1.060 906 V CA 1.578 63.978 62.300 0.167 0.000 1.042 906 V CB -0.467 31.389 31.823 0.055 0.000 0.650 906 V HN 0.351 nan 8.190 nan 0.000 0.450 907 L N 0.166 121.551 121.223 0.271 0.000 2.017 907 L HA -0.217 4.131 4.340 0.013 0.000 0.208 907 L C 2.471 179.547 176.870 0.343 0.000 1.073 907 L CA 2.068 57.080 54.840 0.286 0.000 0.745 907 L CB -0.412 41.803 42.059 0.260 0.000 0.894 907 L HN 0.420 nan 8.230 nan 0.000 0.432 908 N N -0.699 118.229 118.700 0.380 0.000 2.223 908 N HA -0.210 4.538 4.740 0.013 0.000 0.185 908 N C 1.691 177.387 175.510 0.310 0.000 1.016 908 N CA 1.416 54.688 53.050 0.369 0.000 0.863 908 N CB -0.087 38.697 38.487 0.494 0.000 0.983 908 N HN 0.420 nan 8.380 nan 0.000 0.429 909 H N -2.032 117.209 119.070 0.286 0.000 2.293 909 H HA -0.066 4.498 4.556 0.013 0.000 0.300 909 H C 1.424 176.877 175.328 0.208 0.000 1.082 909 H CA 2.065 58.227 56.048 0.189 0.000 1.308 909 H CB -0.461 29.385 29.762 0.140 0.000 1.375 909 H HN 0.338 nan 8.280 nan 0.000 0.495 910 W N 1.103 122.539 121.300 0.226 0.000 2.325 910 W HA -0.211 4.457 4.660 0.012 0.000 0.299 910 W C 1.583 178.191 176.519 0.147 0.000 1.215 910 W CA 1.499 58.936 57.345 0.153 0.000 1.244 910 W CB -0.277 29.262 29.460 0.132 0.000 1.140 910 W HN 0.129 nan 8.180 nan 0.000 0.523 911 L N 0.162 121.625 121.223 0.400 0.000 2.023 911 L HA -0.179 4.169 4.340 0.013 0.000 0.205 911 L C 2.546 179.557 176.870 0.236 0.000 1.073 911 L CA 1.498 56.525 54.840 0.312 0.000 0.745 911 L CB -0.940 41.353 42.059 0.390 0.000 0.900 911 L HN -0.168 nan 8.230 nan 0.000 0.435 912 K N -0.015 120.508 120.400 0.204 0.000 2.160 912 K HA -0.276 4.052 4.320 0.013 0.000 0.206 912 K C 1.995 178.537 176.600 -0.097 0.000 1.047 912 K CA 1.758 57.967 56.287 -0.130 0.000 0.930 912 K CB -0.141 32.120 32.500 -0.398 0.000 0.720 912 K HN 0.351 nan 8.250 nan 0.000 0.450 913 E N 0.952 121.094 120.200 -0.097 0.000 2.072 913 E HA -0.179 4.179 4.350 0.013 0.000 0.191 913 E C 1.534 178.008 176.600 -0.211 0.000 0.985 913 E CA 1.055 57.364 56.400 -0.152 0.000 0.801 913 E CB 0.288 29.880 29.700 -0.180 0.000 0.750 913 E HN 0.016 nan 8.360 nan 0.000 0.452 914 K N 0.599 120.809 120.400 -0.315 0.000 2.365 914 K HA 0.026 4.354 4.320 0.013 0.000 0.197 914 K C 0.788 177.307 176.600 -0.135 0.000 1.042 914 K CA 0.515 56.609 56.287 -0.322 0.000 0.987 914 K CB 0.500 32.640 32.500 -0.600 0.000 0.779 914 K HN 0.095 nan 8.250 nan 0.000 0.484 915 S N 1.423 117.092 115.700 -0.052 0.000 2.464 915 S HA 0.292 4.770 4.470 0.013 0.000 0.313 915 S C -2.174 172.428 174.600 0.003 0.000 1.078 915 S CA -1.294 56.918 58.200 0.020 0.000 1.096 915 S CB 1.527 64.805 63.200 0.131 0.000 1.032 915 S HN -0.166 nan 8.310 nan 0.000 0.498 916 P HA -0.095 nan 4.420 nan 0.000 0.213 916 P C 0.751 178.048 177.300 -0.006 0.000 1.170 916 P CA 1.365 64.456 63.100 -0.016 0.000 0.902 916 P CB -0.393 31.301 31.700 -0.010 0.000 0.789 917 T N -1.704 112.857 114.554 0.011 0.000 2.761 917 T HA 0.136 4.494 4.350 0.013 0.000 0.296 917 T C 1.051 175.778 174.700 0.044 0.000 0.934 917 T CA -0.631 61.480 62.100 0.019 0.000 1.091 917 T CB 1.136 70.017 68.868 0.022 0.000 0.896 917 T HN 0.026 nan 8.240 nan 0.000 0.515 918 E N 2.248 122.466 120.200 0.031 0.000 2.273 918 E HA -0.253 4.105 4.350 0.013 0.000 0.198 918 E C 1.711 178.399 176.600 0.148 0.000 1.002 918 E CA 1.776 58.212 56.400 0.059 0.000 0.828 918 E CB 0.044 29.741 29.700 -0.005 0.000 0.747 918 E HN 1.006 nan 8.360 nan 0.000 0.491 919 E N 0.663 120.919 120.200 0.093 0.000 2.038 919 E HA -0.225 4.132 4.350 0.013 0.000 0.195 919 E C 2.009 178.660 176.600 0.085 0.000 1.000 919 E CA 1.307 57.757 56.400 0.084 0.000 0.803 919 E CB -0.409 29.320 29.700 0.049 0.000 0.750 919 E HN 0.100 nan 8.360 nan 0.000 0.448 920 K N 0.010 120.456 120.400 0.076 0.000 2.160 920 K HA -0.178 4.150 4.320 0.013 0.000 0.206 920 K C 2.005 178.649 176.600 0.074 0.000 1.047 920 K CA 1.616 57.938 56.287 0.058 0.000 0.930 920 K CB -0.431 32.100 32.500 0.051 0.000 0.720 920 K HN 0.172 nan 8.250 nan 0.000 0.450 921 F N 2.463 122.403 119.950 -0.017 0.000 2.095 921 F HA -0.247 4.288 4.527 0.013 0.000 0.298 921 F C 2.267 178.051 175.800 -0.027 0.000 1.104 921 F CA 1.533 59.520 58.000 -0.022 0.000 1.232 921 F CB -0.127 38.856 39.000 -0.029 0.000 0.987 921 F HN -0.030 nan 8.300 nan 0.000 0.475 922 Q N 0.577 120.332 119.800 -0.075 0.000 2.170 922 Q HA -0.140 4.208 4.340 0.013 0.000 0.203 922 Q C 2.466 178.351 176.000 -0.193 0.000 0.976 922 Q CA 1.400 57.097 55.803 -0.177 0.000 0.858 922 Q CB -0.953 27.806 28.738 0.034 0.000 0.907 922 Q HN 0.597 nan 8.270 nan 0.000 0.433 923 A N 0.743 123.491 122.820 -0.119 0.000 1.930 923 A HA 0.008 4.336 4.320 0.013 0.000 0.217 923 A C 2.299 179.796 177.584 -0.146 0.000 1.175 923 A CA 1.548 53.517 52.037 -0.112 0.000 0.627 923 A CB -0.460 18.505 19.000 -0.058 0.000 0.815 923 A HN 0.346 nan 8.150 nan 0.000 0.443 924 A N -0.459 122.264 122.820 -0.162 0.000 1.898 924 A HA 0.028 4.356 4.320 0.013 0.000 0.216 924 A C 2.134 179.615 177.584 -0.171 0.000 1.181 924 A CA 1.638 53.602 52.037 -0.123 0.000 0.620 924 A CB -0.876 18.075 19.000 -0.083 0.000 0.819 924 A HN 0.393 nan 8.150 nan 0.000 0.442 925 V N 0.224 119.900 119.914 -0.398 0.000 2.594 925 V HA -0.251 3.877 4.120 0.013 0.000 0.253 925 V C 2.428 178.384 176.094 -0.231 0.000 1.069 925 V CA 2.294 64.348 62.300 -0.411 0.000 1.082 925 V CB -0.691 30.723 31.823 -0.683 0.000 0.680 925 V HN 0.816 nan 8.190 nan 0.000 0.469 926 E N 0.440 120.505 120.200 -0.226 0.000 2.051 926 E HA -0.222 4.136 4.350 0.013 0.000 0.189 926 E C 2.359 178.810 176.600 -0.249 0.000 0.979 926 E CA 0.746 57.019 56.400 -0.212 0.000 0.803 926 E CB -0.084 29.463 29.700 -0.255 0.000 0.761 926 E HN 0.331 nan 8.360 nan 0.000 0.451 927 R N 0.000 120.382 120.500 -0.197 0.000 2.105 927 R HA -0.148 4.200 4.340 0.013 0.000 0.239 927 R C 2.014 178.340 176.300 0.044 0.000 1.135 927 R CA 1.601 57.632 56.100 -0.115 0.000 0.967 927 R CB -0.814 29.462 30.300 -0.039 0.000 0.861 927 R HN 0.348 nan 8.270 nan 0.000 0.442 928 F N -0.594 119.313 119.950 -0.071 0.000 2.146 928 F HA -0.108 4.427 4.527 0.013 0.000 0.298 928 F C 1.728 177.539 175.800 0.018 0.000 1.096 928 F CA 1.257 59.231 58.000 -0.044 0.000 1.275 928 F CB -0.105 38.834 39.000 -0.100 0.000 1.008 928 F HN -0.154 nan 8.300 nan 0.000 0.480 929 V N -0.542 119.504 119.914 0.220 0.000 2.453 929 V HA -0.273 3.854 4.120 0.013 0.000 0.247 929 V C 2.059 178.331 176.094 0.296 0.000 1.048 929 V CA 1.595 64.055 62.300 0.268 0.000 1.049 929 V CB -0.987 31.039 31.823 0.338 0.000 0.672 929 V HN 0.327 nan 8.190 nan 0.000 0.457 930 Y N 1.476 121.770 120.300 -0.010 0.000 2.163 930 Y HA -0.189 4.369 4.550 0.013 0.000 0.288 930 Y C 2.985 178.827 175.900 -0.098 0.000 1.136 930 Y CA 1.332 59.383 58.100 -0.082 0.000 1.147 930 Y CB -1.162 37.244 38.460 -0.090 0.000 0.987 930 Y HN 0.435 nan 8.280 nan 0.000 0.509 931 S N -1.783 113.991 115.700 0.123 0.000 2.402 931 S HA -0.194 4.284 4.470 0.013 0.000 0.229 931 S C 2.226 176.894 174.600 0.113 0.000 1.021 931 S CA 0.962 59.240 58.200 0.129 0.000 0.974 931 S CB -1.284 62.003 63.200 0.145 0.000 0.800 931 S HN 0.540 nan 8.310 nan 0.000 0.484 932 C N 1.727 120.955 119.300 -0.121 0.000 2.457 932 C HA 0.362 4.830 4.460 0.013 0.000 0.278 932 C C 3.090 178.181 174.990 0.168 0.000 1.309 932 C CA 0.646 59.568 59.018 -0.161 0.000 1.735 932 C CB -1.606 25.779 27.740 -0.592 0.000 1.992 932 C HN 0.697 nan 8.230 nan 0.000 0.493 933 A N 0.421 123.350 122.820 0.182 0.000 1.898 933 A HA 0.136 4.464 4.320 0.013 0.000 0.216 933 A C 2.452 179.933 177.584 -0.171 0.000 1.181 933 A CA 1.911 53.923 52.037 -0.043 0.000 0.620 933 A CB -1.438 17.333 19.000 -0.381 0.000 0.819 933 A HN 0.648 nan 8.150 nan 0.000 0.442 934 G N -1.890 106.787 108.800 -0.204 0.000 2.422 934 G HA2 -0.211 3.757 3.960 0.013 0.000 0.218 934 G HA3 -0.211 3.757 3.960 0.013 0.000 0.218 934 G C 1.427 176.270 174.900 -0.095 0.000 1.146 934 G CA 1.176 46.115 45.100 -0.269 0.000 0.769 934 G HN 0.580 nan 8.290 nan 0.000 0.547 935 Y N -0.407 119.887 120.300 -0.011 0.000 2.475 935 Y HA 0.036 4.594 4.550 0.013 0.000 0.289 935 Y C 2.899 178.753 175.900 -0.077 0.000 1.121 935 Y CA 0.247 58.316 58.100 -0.052 0.000 1.257 935 Y CB 0.062 38.462 38.460 -0.100 0.000 1.026 935 Y HN 0.217 nan 8.280 nan 0.000 0.555 936 C N -1.326 117.993 119.300 0.032 0.000 2.466 936 C HA -0.084 4.384 4.460 0.013 0.000 0.278 936 C C 2.637 177.546 174.990 -0.135 0.000 1.288 936 C CA 0.652 59.493 59.018 -0.294 0.000 1.722 936 C CB -0.915 26.461 27.740 -0.607 0.000 2.017 936 C HN 0.311 nan 8.230 nan 0.000 0.488 937 V N 1.571 121.510 119.914 0.041 0.000 2.244 937 V HA -0.161 3.967 4.120 0.013 0.000 0.244 937 V C 2.765 179.035 176.094 0.293 0.000 1.042 937 V CA 2.271 64.688 62.300 0.195 0.000 1.006 937 V CB -1.415 30.431 31.823 0.039 0.000 0.641 937 V HN 0.549 nan 8.190 nan 0.000 0.446 938 A N -0.979 121.974 122.820 0.222 0.000 1.978 938 A HA -0.261 4.067 4.320 0.013 0.000 0.220 938 A C 2.404 180.071 177.584 0.138 0.000 1.170 938 A CA 2.611 54.724 52.037 0.127 0.000 0.636 938 A CB -0.851 18.154 19.000 0.008 0.000 0.810 938 A HN 0.475 nan 8.150 nan 0.000 0.448 939 T N -2.037 112.626 114.554 0.182 0.000 3.014 939 T HA 0.014 4.372 4.350 0.013 0.000 0.263 939 T C 1.460 176.376 174.700 0.360 0.000 1.078 939 T CA 1.135 63.379 62.100 0.241 0.000 1.135 939 T CB -0.340 68.667 68.868 0.231 0.000 0.895 939 T HN 0.456 nan 8.240 nan 0.000 0.480 940 F N 1.483 121.597 119.950 0.272 0.000 2.113 940 F HA 0.010 4.545 4.527 0.013 0.000 0.297 940 F C 2.080 178.110 175.800 0.384 0.000 1.103 940 F CA 0.848 59.072 58.000 0.373 0.000 1.248 940 F CB -0.585 38.658 39.000 0.405 0.000 0.999 940 F HN -0.069 nan 8.300 nan 0.000 0.475 941 V N 0.999 121.060 119.914 0.244 0.000 2.469 941 V HA -0.287 3.841 4.120 0.013 0.000 0.251 941 V C 2.237 178.364 176.094 0.055 0.000 1.064 941 V CA 1.848 64.195 62.300 0.078 0.000 1.066 941 V CB -0.766 31.134 31.823 0.128 0.000 0.667 941 V HN 0.386 nan 8.190 nan 0.000 0.461 942 L N 0.109 121.415 121.223 0.139 0.000 2.592 942 L HA 0.332 4.680 4.340 0.013 0.000 0.227 942 L C 1.652 178.624 176.870 0.170 0.000 1.127 942 L CA 0.666 55.621 54.840 0.192 0.000 0.884 942 L CB -0.472 41.687 42.059 0.167 0.000 1.065 942 L HN 0.516 nan 8.230 nan 0.000 0.457 943 G N 2.210 111.092 108.800 0.138 0.000 2.273 943 G HA2 -0.291 3.677 3.960 0.013 0.000 0.280 943 G HA3 -0.291 3.677 3.960 0.013 0.000 0.280 943 G C 0.532 175.542 174.900 0.184 0.000 1.047 943 G CA 0.697 45.770 45.100 -0.046 0.000 0.869 943 G HN 0.637 nan 8.290 nan 0.000 0.502 944 I N -3.948 116.790 120.570 0.280 0.000 3.426 944 I HA 0.564 4.742 4.170 0.013 0.000 0.329 944 I C 1.181 177.531 176.117 0.389 0.000 1.553 944 I CA -0.035 61.473 61.300 0.346 0.000 1.019 944 I CB 0.369 38.583 38.000 0.356 0.000 1.376 944 I HN 0.020 nan 8.210 nan 0.000 0.525 945 G N 0.316 109.360 108.800 0.407 0.000 2.880 945 G HA2 -0.058 3.910 3.960 0.013 0.000 0.209 945 G HA3 -0.058 3.910 3.960 0.013 0.000 0.209 945 G C 0.215 175.376 174.900 0.435 0.000 1.157 945 G CA 0.119 45.515 45.100 0.493 0.000 0.779 945 G HN 0.374 nan 8.290 nan 0.000 0.539 946 D N 1.153 121.760 120.400 0.344 0.000 2.500 946 D HA 0.234 4.882 4.640 0.013 0.000 0.219 946 D C 0.093 176.535 176.300 0.235 0.000 1.137 946 D CA -0.212 53.986 54.000 0.330 0.000 0.946 946 D CB 0.168 41.175 40.800 0.344 0.000 1.022 946 D HN 0.052 nan 8.370 nan 0.000 0.518 947 R N 1.618 122.131 120.500 0.021 0.000 2.854 947 R HA 0.285 4.633 4.340 0.013 0.000 0.271 947 R C -0.116 175.753 176.300 -0.719 0.000 0.996 947 R CA -1.002 54.874 56.100 -0.373 0.000 0.961 947 R CB 0.800 30.961 30.300 -0.231 0.000 1.182 947 R HN 0.397 nan 8.270 nan 0.000 0.479 948 H N 1.872 120.219 119.070 -1.206 0.000 2.764 948 H HA 0.006 4.570 4.556 0.013 0.000 0.341 948 H C 1.012 176.083 175.328 -0.429 0.000 1.072 948 H CA -0.065 55.461 56.048 -0.869 0.000 1.444 948 H CB 0.759 30.136 29.762 -0.642 0.000 1.458 948 H HN 0.577 nan 8.280 nan 0.000 0.572 949 N N 2.381 120.691 118.700 -0.651 0.000 2.635 949 N HA -0.158 4.590 4.740 0.013 0.000 0.191 949 N C 0.836 176.058 175.510 -0.480 0.000 1.155 949 N CA 1.074 53.841 53.050 -0.472 0.000 0.927 949 N CB -0.095 38.198 38.487 -0.324 0.000 0.976 949 N HN 0.680 nan 8.380 nan 0.000 0.448 950 D N 0.558 120.569 120.400 -0.648 0.000 2.183 950 D HA -0.035 4.613 4.640 0.013 0.000 0.203 950 D C 0.217 176.338 176.300 -0.299 0.000 0.969 950 D CA 0.766 54.555 54.000 -0.352 0.000 0.842 950 D CB -0.357 40.356 40.800 -0.144 0.000 0.957 950 D HN 0.448 nan 8.370 nan 0.000 0.484 951 N N -0.651 117.842 118.700 -0.344 0.000 2.362 951 N HA 0.209 4.957 4.740 0.013 0.000 0.211 951 N C -0.613 174.622 175.510 -0.459 0.000 1.170 951 N CA 0.028 52.862 53.050 -0.360 0.000 0.828 951 N CB 0.626 38.913 38.487 -0.332 0.000 1.034 951 N HN 0.213 nan 8.380 nan 0.000 0.475 952 I N 0.792 121.092 120.570 -0.451 0.000 2.534 952 I HA 0.349 4.527 4.170 0.013 0.000 0.288 952 I C -0.596 175.239 176.117 -0.470 0.000 1.077 952 I CA -0.548 60.450 61.300 -0.504 0.000 1.051 952 I CB 1.735 39.482 38.000 -0.421 0.000 1.234 952 I HN -0.133 nan 8.210 nan 0.000 0.425 953 M N 6.107 125.277 119.600 -0.717 0.000 2.716 953 M HA 0.642 5.129 4.480 0.013 0.000 0.307 953 M C -0.987 174.977 176.300 -0.560 0.000 1.223 953 M CA -0.859 54.015 55.300 -0.710 0.000 0.871 953 M CB 3.320 35.348 32.600 -0.952 0.000 1.739 953 M HN 0.467 nan 8.290 nan 0.000 0.475 954 I N -0.001 120.426 120.570 -0.237 0.000 2.656 954 I HA 0.368 4.545 4.170 0.013 0.000 0.292 954 I C -0.637 175.606 176.117 0.210 0.000 1.144 954 I CA -0.247 61.069 61.300 0.026 0.000 1.038 954 I CB 2.525 40.519 38.000 -0.010 0.000 1.244 954 I HN 0.623 nan 8.210 nan 0.000 0.420 955 T N 4.688 119.457 114.554 0.357 0.000 2.828 955 T HA 0.132 4.490 4.350 0.013 0.000 0.290 955 T C 1.020 175.994 174.700 0.457 0.000 1.019 955 T CA -0.330 61.991 62.100 0.368 0.000 1.031 955 T CB 0.946 69.978 68.868 0.273 0.000 1.001 955 T HN 0.611 nan 8.240 nan 0.000 0.531 956 E N 0.393 120.846 120.200 0.423 0.000 2.409 956 E HA -0.069 4.289 4.350 0.013 0.000 0.198 956 E C 1.117 177.837 176.600 0.200 0.000 1.024 956 E CA 0.770 57.358 56.400 0.313 0.000 0.861 956 E CB 0.027 29.803 29.700 0.127 0.000 0.788 956 E HN 0.490 nan 8.360 nan 0.000 0.521 957 T N -0.723 113.949 114.554 0.196 0.000 3.105 957 T HA 0.206 4.564 4.350 0.013 0.000 0.253 957 T C 1.070 175.851 174.700 0.135 0.000 1.047 957 T CA 0.462 62.638 62.100 0.126 0.000 0.944 957 T CB 0.819 69.740 68.868 0.089 0.000 1.016 957 T HN 0.350 nan 8.240 nan 0.000 0.544 958 G N 2.361 111.293 108.800 0.220 0.000 2.141 958 G HA2 -0.248 3.719 3.960 0.013 0.000 0.242 958 G HA3 -0.248 3.719 3.960 0.013 0.000 0.242 958 G C -0.044 175.005 174.900 0.248 0.000 0.982 958 G CA -0.254 44.988 45.100 0.237 0.000 0.662 958 G HN 0.583 nan 8.290 nan 0.000 0.527 959 N N 0.109 118.943 118.700 0.224 0.000 2.406 959 N HA 0.513 5.261 4.740 0.013 0.000 0.251 959 N C 0.240 175.921 175.510 0.285 0.000 1.069 959 N CA -0.680 52.499 53.050 0.215 0.000 0.947 959 N CB 0.393 38.990 38.487 0.183 0.000 1.111 959 N HN 0.280 nan 8.380 nan 0.000 0.497 960 L N 5.326 126.643 121.223 0.157 0.000 2.399 960 L HA 0.628 4.976 4.340 0.013 0.000 0.266 960 L C -1.080 175.841 176.870 0.084 0.000 1.114 960 L CA -0.128 54.722 54.840 0.017 0.000 0.804 960 L CB 0.415 42.275 42.059 -0.331 0.000 1.146 960 L HN 0.545 nan 8.230 nan 0.000 0.451 961 F N 0.803 120.527 119.950 -0.377 0.000 2.669 961 F HA 0.417 4.952 4.527 0.013 0.000 0.315 961 F C -0.852 174.758 175.800 -0.315 0.000 1.109 961 F CA -0.965 56.614 58.000 -0.701 0.000 1.028 961 F CB 0.448 39.398 39.000 -0.083 0.000 1.287 961 F HN 0.544 nan 8.300 nan 0.000 0.452 962 H N 2.369 121.145 119.070 -0.490 0.000 2.597 962 H HA 0.743 5.306 4.556 0.013 0.000 0.370 962 H C -0.425 174.789 175.328 -0.190 0.000 1.281 962 H CA 0.016 55.917 56.048 -0.244 0.000 1.422 962 H CB 1.917 31.710 29.762 0.052 0.000 1.524 962 H HN 0.702 nan 8.280 nan 0.000 0.607 963 I N -2.817 117.491 120.570 -0.437 0.000 3.263 963 I HA 0.232 4.410 4.170 0.013 0.000 0.314 963 I C -0.521 175.233 176.117 -0.605 0.000 1.269 963 I CA -1.054 59.998 61.300 -0.413 0.000 0.942 963 I CB 1.322 39.173 38.000 -0.248 0.000 1.305 963 I HN 0.577 nan 8.210 nan 0.000 0.474 964 D N 0.825 121.058 120.400 -0.277 0.000 2.737 964 D HA -0.235 4.413 4.640 0.013 0.000 0.238 964 D C 0.057 176.293 176.300 -0.106 0.000 1.157 964 D CA 0.976 54.900 54.000 -0.127 0.000 0.694 964 D CB -0.885 39.831 40.800 -0.139 0.000 1.021 964 D HN 0.586 nan 8.370 nan 0.000 0.420 965 F N -0.747 119.306 119.950 0.171 0.000 2.407 965 F HA 0.155 4.690 4.527 0.013 0.000 0.299 965 F C 2.659 178.535 175.800 0.126 0.000 1.097 965 F CA 0.737 58.829 58.000 0.153 0.000 1.422 965 F CB -0.039 39.041 39.000 0.134 0.000 1.067 965 F HN 0.324 nan 8.300 nan 0.000 0.539 966 G N -1.275 107.683 108.800 0.264 0.000 2.509 966 G HA2 -0.225 3.743 3.960 0.013 0.000 0.218 966 G HA3 -0.225 3.743 3.960 0.013 0.000 0.218 966 G C 1.563 176.563 174.900 0.165 0.000 1.124 966 G CA 0.555 45.761 45.100 0.177 0.000 0.776 966 G HN 0.415 nan 8.290 nan 0.000 0.547 967 H N 0.022 119.137 119.070 0.076 0.000 2.372 967 H HA 0.161 4.725 4.556 0.013 0.000 0.301 967 H C 2.171 177.544 175.328 0.075 0.000 1.065 967 H CA 0.850 56.928 56.048 0.050 0.000 1.364 967 H CB 0.157 29.922 29.762 0.004 0.000 1.406 967 H HN 0.342 nan 8.280 nan 0.000 0.521 968 I N 0.948 121.598 120.570 0.133 0.000 3.111 968 I HA -0.111 4.067 4.170 0.013 0.000 0.272 968 I C 1.057 177.297 176.117 0.204 0.000 1.268 968 I CA 0.405 61.782 61.300 0.128 0.000 1.467 968 I CB 0.120 38.240 38.000 0.200 0.000 1.087 968 I HN 0.212 nan 8.210 nan 0.000 0.467 969 L N -0.475 120.848 121.223 0.167 0.000 2.616 969 L HA 0.272 4.620 4.340 0.013 0.000 0.229 969 L C 2.099 179.018 176.870 0.082 0.000 1.110 969 L CA 0.507 55.432 54.840 0.141 0.000 0.884 969 L CB -0.081 42.028 42.059 0.083 0.000 1.115 969 L HN 0.204 nan 8.230 nan 0.000 0.481 970 G N -0.656 108.171 108.800 0.045 0.000 2.887 970 G HA2 -0.027 3.941 3.960 0.013 0.000 0.211 970 G HA3 -0.027 3.941 3.960 0.013 0.000 0.211 970 G C 0.879 175.779 174.900 0.000 0.000 1.152 970 G CA -0.028 45.080 45.100 0.013 0.000 0.769 970 G HN 0.277 nan 8.290 nan 0.000 0.541 971 N N -0.761 117.937 118.700 -0.004 0.000 2.240 971 N HA 0.110 4.858 4.740 0.013 0.000 0.240 971 N C -0.446 175.094 175.510 0.050 0.000 1.277 971 N CA -0.469 52.577 53.050 -0.006 0.000 0.873 971 N CB 0.927 39.358 38.487 -0.094 0.000 1.222 971 N HN 0.317 nan 8.380 nan 0.000 0.507 983 V N 4.441 124.373 119.914 0.030 0.000 2.680 983 V HA 0.466 4.594 4.120 0.013 0.000 0.309 983 V C -1.936 174.160 176.094 0.003 0.000 1.052 983 V CA -2.375 59.907 62.300 -0.030 0.000 0.908 983 V CB 2.279 34.065 31.823 -0.062 0.000 1.001 983 V HN 0.509 nan 8.190 nan 0.000 0.431 984 P HA -0.059 nan 4.420 nan 0.000 0.217 984 P C -0.288 177.160 177.300 0.247 0.000 1.151 984 P CA 1.975 65.091 63.100 0.027 0.000 0.849 984 P CB -0.018 31.436 31.700 -0.409 0.000 0.787 985 F N -6.894 113.146 119.950 0.150 0.000 3.652 985 F HA 0.428 4.963 4.527 0.013 0.000 0.329 985 F C -1.610 174.286 175.800 0.161 0.000 1.092 985 F CA -1.414 56.712 58.000 0.210 0.000 0.841 985 F CB 0.272 39.419 39.000 0.246 0.000 1.621 985 F HN -0.568 nan 8.300 nan 0.000 0.495 986 V N 2.242 122.518 119.914 0.604 0.000 2.294 986 V HA 0.474 4.602 4.120 0.013 0.000 0.272 986 V C -0.764 175.607 176.094 0.462 0.000 1.027 986 V CA -0.130 62.385 62.300 0.358 0.000 0.823 986 V CB 0.789 32.782 31.823 0.282 0.000 1.030 986 V HN 0.624 nan 8.190 nan 0.000 0.457 987 L N 6.251 127.613 121.223 0.232 0.000 3.059 987 L HA 0.399 4.747 4.340 0.013 0.000 0.298 987 L C 0.969 177.773 176.870 -0.109 0.000 1.304 987 L CA 0.035 55.012 54.840 0.228 0.000 0.855 987 L CB 0.522 42.763 42.059 0.303 0.000 1.266 987 L HN 0.724 nan 8.230 nan 0.000 0.572 988 T N -1.742 112.536 114.554 -0.459 0.000 2.906 988 T HA 0.125 4.483 4.350 0.013 0.000 0.320 988 T C -1.589 172.705 174.700 -0.677 0.000 1.088 988 T CA -0.753 60.832 62.100 -0.859 0.000 1.120 988 T CB 0.167 68.210 68.868 -1.376 0.000 1.000 988 T HN 0.173 nan 8.240 nan 0.000 0.550 989 P HA -0.153 nan 4.420 nan 0.000 0.217 989 P C 1.403 178.697 177.300 -0.009 0.000 1.148 989 P CA 1.299 64.217 63.100 -0.304 0.000 0.828 989 P CB -0.046 31.491 31.700 -0.271 0.000 0.783 990 D N -1.329 119.065 120.400 -0.010 0.000 2.144 990 D HA -0.174 4.474 4.640 0.013 0.000 0.200 990 D C 1.676 178.191 176.300 0.358 0.000 0.978 990 D CA 1.152 55.309 54.000 0.262 0.000 0.833 990 D CB -1.184 39.840 40.800 0.373 0.000 0.961 990 D HN 0.102 nan 8.370 nan 0.000 0.470 991 F N 1.157 121.191 119.950 0.139 0.000 2.113 991 F HA 0.075 4.610 4.527 0.013 0.000 0.297 991 F C 2.594 178.492 175.800 0.162 0.000 1.103 991 F CA 0.088 58.242 58.000 0.258 0.000 1.248 991 F CB -1.156 38.049 39.000 0.341 0.000 0.999 991 F HN -0.051 nan 8.300 nan 0.000 0.475 992 L N -1.359 120.028 121.223 0.274 0.000 2.079 992 L HA -0.259 4.089 4.340 0.013 0.000 0.210 992 L C 2.494 179.455 176.870 0.152 0.000 1.081 992 L CA 1.253 56.182 54.840 0.148 0.000 0.752 992 L CB -0.823 41.250 42.059 0.023 0.000 0.896 992 L HN 0.050 nan 8.230 nan 0.000 0.433 993 F N 0.348 120.336 119.950 0.063 0.000 2.134 993 F HA -0.200 4.335 4.527 0.013 0.000 0.299 993 F C 2.247 178.071 175.800 0.039 0.000 1.097 993 F CA 1.468 59.504 58.000 0.059 0.000 1.264 993 F CB -0.245 38.811 39.000 0.093 0.000 1.001 993 F HN -0.256 nan 8.300 nan 0.000 0.479 994 V N 0.686 120.629 119.914 0.050 0.000 2.720 994 V HA -0.318 3.810 4.120 0.013 0.000 0.256 994 V C 2.109 178.092 176.094 -0.184 0.000 1.082 994 V CA 2.022 64.222 62.300 -0.166 0.000 1.101 994 V CB -0.727 30.831 31.823 -0.442 0.000 0.693 994 V HN 0.413 nan 8.190 nan 0.000 0.479 995 M N -0.298 119.277 119.600 -0.041 0.000 2.561 995 M HA 0.284 4.772 4.480 0.013 0.000 0.238 995 M C 1.285 177.630 176.300 0.076 0.000 1.131 995 M CA 0.823 56.163 55.300 0.067 0.000 1.046 995 M CB 0.271 32.999 32.600 0.213 0.000 1.532 995 M HN 0.447 nan 8.290 nan 0.000 0.497 996 G N 2.112 110.862 108.800 -0.082 0.000 2.341 996 G HA2 -0.178 3.789 3.960 0.013 0.000 0.278 996 G HA3 -0.178 3.789 3.960 0.013 0.000 0.278 996 G C -0.325 174.547 174.900 -0.048 0.000 1.111 996 G CA 0.145 45.183 45.100 -0.103 0.000 0.982 996 G HN 0.401 nan 8.290 nan 0.000 0.502 997 T N -0.611 113.907 114.554 -0.060 0.000 2.889 997 T HA 0.807 5.164 4.350 0.013 0.000 0.315 997 T C -0.348 174.346 174.700 -0.009 0.000 1.291 997 T CA 0.025 62.086 62.100 -0.066 0.000 1.028 997 T CB 2.211 70.966 68.868 -0.188 0.000 1.235 997 T HN 1.612 nan 8.240 nan 0.000 0.491 998 S N 0.235 115.923 115.700 -0.022 0.000 2.603 998 S HA 0.760 5.238 4.470 0.013 0.000 0.274 998 S C 0.498 175.079 174.600 -0.033 0.000 1.168 998 S CA -0.075 58.137 58.200 0.019 0.000 0.963 998 S CB 1.343 64.604 63.200 0.102 0.000 1.078 998 S HN 1.825 nan 8.310 nan 0.000 0.477 999 G N 3.477 112.247 108.800 -0.051 0.000 2.611 999 G HA2 -0.301 3.666 3.960 0.013 0.000 0.301 999 G HA3 -0.301 3.666 3.960 0.013 0.000 0.301 999 G C -0.306 174.549 174.900 -0.075 0.000 1.233 999 G CA 0.284 45.353 45.100 -0.052 0.000 0.993 999 G HN 0.993 nan 8.290 nan 0.000 0.553 1000 K N 1.817 122.188 120.400 -0.047 0.000 2.199 1000 K HA 0.328 4.656 4.320 0.013 0.000 0.226 1000 K C 0.378 176.951 176.600 -0.045 0.000 1.237 1000 K CA 0.595 56.856 56.287 -0.044 0.000 1.170 1000 K CB -0.094 32.393 32.500 -0.022 0.000 1.418 1000 K HN 0.427 nan 8.250 nan 0.000 0.255 1001 K N -0.535 119.816 120.400 -0.082 0.000 2.507 1001 K HA 0.351 4.679 4.320 0.013 0.000 0.284 1001 K C -0.420 176.110 176.600 -0.117 0.000 1.038 1001 K CA -0.788 55.456 56.287 -0.071 0.000 0.903 1001 K CB 2.014 34.480 32.500 -0.057 0.000 1.531 1001 K HN 0.098 nan 8.250 nan 0.000 0.430 1002 T N -0.983 113.541 114.554 -0.051 0.000 2.565 1002 T HA 0.691 5.049 4.350 0.013 0.000 0.266 1002 T C -1.259 173.482 174.700 0.067 0.000 0.905 1002 T CA 0.115 62.224 62.100 0.016 0.000 1.122 1002 T CB 1.230 70.174 68.868 0.126 0.000 1.437 1002 T HN 0.821 nan 8.240 nan 0.000 0.506 1003 S N -0.796 115.010 115.700 0.175 0.000 2.680 1003 S HA 0.526 5.003 4.470 0.013 0.000 0.276 1003 S C -2.673 171.999 174.600 0.120 0.000 1.189 1003 S CA -0.677 57.609 58.200 0.143 0.000 0.909 1003 S CB 0.738 64.038 63.200 0.166 0.000 1.227 1003 S HN 0.486 nan 8.310 nan 0.000 0.501 1004 P HA 0.373 nan 4.420 nan 0.000 0.252 1004 P C 0.700 177.937 177.300 -0.106 0.000 1.211 1004 P CA 0.452 63.517 63.100 -0.059 0.000 0.824 1004 P CB 0.073 31.678 31.700 -0.159 0.000 1.077 1005 H N -2.386 116.763 119.070 0.133 0.000 2.476 1005 H HA 0.169 4.733 4.556 0.013 0.000 0.292 1005 H C 1.589 177.054 175.328 0.228 0.000 1.019 1005 H CA 0.541 56.682 56.048 0.155 0.000 1.330 1005 H CB -0.515 29.324 29.762 0.128 0.000 1.451 1005 H HN 0.053 nan 8.280 nan 0.000 0.535 1006 F N 2.674 122.762 119.950 0.230 0.000 2.134 1006 F HA -0.175 4.360 4.527 0.013 0.000 0.299 1006 F C 2.315 178.258 175.800 0.239 0.000 1.097 1006 F CA 1.218 59.351 58.000 0.222 0.000 1.264 1006 F CB 0.050 39.134 39.000 0.141 0.000 1.001 1006 F HN -0.039 nan 8.300 nan 0.000 0.479 1007 Q N 0.756 120.635 119.800 0.133 0.000 2.135 1007 Q HA -0.247 4.101 4.340 0.013 0.000 0.204 1007 Q C 2.270 178.249 176.000 -0.034 0.000 0.981 1007 Q CA 1.719 57.522 55.803 -0.001 0.000 0.856 1007 Q CB -0.586 28.194 28.738 0.071 0.000 0.902 1007 Q HN 0.516 nan 8.270 nan 0.000 0.425 1008 K N 0.004 120.435 120.400 0.051 0.000 2.026 1008 K HA -0.152 4.176 4.320 0.013 0.000 0.208 1008 K C 2.028 178.646 176.600 0.029 0.000 1.048 1008 K CA 1.050 57.373 56.287 0.060 0.000 0.929 1008 K CB -0.260 32.338 32.500 0.163 0.000 0.713 1008 K HN 0.104 nan 8.250 nan 0.000 0.439 1009 F N 2.055 121.969 119.950 -0.060 0.000 2.046 1009 F HA -0.248 4.287 4.527 0.013 0.000 0.297 1009 F C 2.205 177.890 175.800 -0.193 0.000 1.123 1009 F CA 1.752 59.691 58.000 -0.100 0.000 1.199 1009 F CB -0.366 38.609 39.000 -0.041 0.000 0.972 1009 F HN 0.129 nan 8.300 nan 0.000 0.474 1010 Q N -0.363 119.253 119.800 -0.306 0.000 2.248 1010 Q HA -0.268 4.080 4.340 0.013 0.000 0.208 1010 Q C 1.755 177.571 176.000 -0.306 0.000 0.984 1010 Q CA 1.819 57.396 55.803 -0.377 0.000 0.875 1010 Q CB -0.392 28.125 28.738 -0.368 0.000 0.910 1010 Q HN 0.538 nan 8.270 nan 0.000 0.433 1011 D N 0.320 120.574 120.400 -0.244 0.000 2.103 1011 D HA -0.086 4.562 4.640 0.013 0.000 0.199 1011 D C 1.631 177.771 176.300 -0.266 0.000 0.978 1011 D CA 0.882 54.765 54.000 -0.194 0.000 0.829 1011 D CB -0.002 40.723 40.800 -0.126 0.000 0.981 1011 D HN 0.163 nan 8.370 nan 0.000 0.464 1012 I N -0.031 120.336 120.570 -0.339 0.000 2.315 1012 I HA -0.268 3.910 4.170 0.013 0.000 0.248 1012 I C 2.426 178.235 176.117 -0.514 0.000 1.117 1012 I CA 0.366 61.406 61.300 -0.435 0.000 1.404 1012 I CB -0.177 37.530 38.000 -0.489 0.000 1.071 1012 I HN 0.205 nan 8.210 nan 0.000 0.419 1013 C N 0.266 119.203 119.300 -0.605 0.000 2.413 1013 C HA -0.158 4.310 4.460 0.013 0.000 0.278 1013 C C 2.876 177.530 174.990 -0.560 0.000 1.224 1013 C CA 0.856 59.487 59.018 -0.645 0.000 1.732 1013 C CB -0.842 26.525 27.740 -0.621 0.000 2.050 1013 C HN 0.360 nan 8.230 nan 0.000 0.463 1014 V N 1.225 120.909 119.914 -0.383 0.000 2.380 1014 V HA -0.272 3.856 4.120 0.013 0.000 0.251 1014 V C 2.341 178.321 176.094 -0.191 0.000 1.063 1014 V CA 1.947 64.112 62.300 -0.225 0.000 1.055 1014 V CB -0.773 30.983 31.823 -0.112 0.000 0.657 1014 V HN 0.593 nan 8.190 nan 0.000 0.455 1015 K N 0.547 120.802 120.400 -0.242 0.000 1.973 1015 K HA -0.109 4.219 4.320 0.013 0.000 0.212 1015 K C 2.448 178.904 176.600 -0.239 0.000 1.047 1015 K CA 1.519 57.673 56.287 -0.221 0.000 0.937 1015 K CB -0.622 31.725 32.500 -0.256 0.000 0.721 1015 K HN 0.424 nan 8.250 nan 0.000 0.440 1016 A N 1.034 123.621 122.820 -0.387 0.000 1.927 1016 A HA -0.254 4.074 4.320 0.013 0.000 0.220 1016 A C 2.152 179.752 177.584 0.027 0.000 1.185 1016 A CA 1.816 53.604 52.037 -0.414 0.000 0.639 1016 A CB -0.922 17.611 19.000 -0.778 0.000 0.820 1016 A HN 0.460 nan 8.150 nan 0.000 0.451 1017 Y N 0.327 120.443 120.300 -0.307 0.000 2.089 1017 Y HA -0.144 4.414 4.550 0.013 0.000 0.282 1017 Y C 2.059 177.862 175.900 -0.161 0.000 1.139 1017 Y CA 1.801 59.731 58.100 -0.283 0.000 1.123 1017 Y CB -0.581 37.500 38.460 -0.632 0.000 0.980 1017 Y HN 0.209 nan 8.280 nan 0.000 0.493 1018 L N -0.229 120.834 121.223 -0.268 0.000 2.081 1018 L HA -0.288 4.060 4.340 0.013 0.000 0.212 1018 L C 2.718 179.291 176.870 -0.496 0.000 1.080 1018 L CA 1.250 55.852 54.840 -0.395 0.000 0.754 1018 L CB -1.005 40.908 42.059 -0.244 0.000 0.893 1018 L HN 0.378 nan 8.230 nan 0.000 0.433 1019 A N 0.117 122.805 122.820 -0.220 0.000 1.902 1019 A HA -0.159 4.169 4.320 0.013 0.000 0.217 1019 A C 2.231 179.824 177.584 0.015 0.000 1.181 1019 A CA 1.339 53.356 52.037 -0.032 0.000 0.623 1019 A CB -0.652 18.491 19.000 0.238 0.000 0.818 1019 A HN 0.363 nan 8.150 nan 0.000 0.443 1020 L N -0.994 120.226 121.223 -0.004 0.000 2.083 1020 L HA -0.195 4.153 4.340 0.013 0.000 0.209 1020 L C 2.743 179.549 176.870 -0.108 0.000 1.083 1020 L CA 1.402 56.199 54.840 -0.071 0.000 0.752 1020 L CB -0.505 41.502 42.059 -0.087 0.000 0.899 1020 L HN 0.374 nan 8.230 nan 0.000 0.433 1021 R N -0.892 119.439 120.500 -0.281 0.000 2.189 1021 R HA -0.126 4.222 4.340 0.013 0.000 0.223 1021 R C 1.822 178.046 176.300 -0.127 0.000 1.092 1021 R CA 0.864 56.800 56.100 -0.274 0.000 0.989 1021 R CB -0.394 29.651 30.300 -0.424 0.000 0.876 1021 R HN 0.554 nan 8.270 nan 0.000 0.457 1022 H N -1.495 117.519 119.070 -0.093 0.000 2.559 1022 H HA -0.016 4.548 4.556 0.013 0.000 0.273 1022 H C 0.301 175.417 175.328 -0.353 0.000 1.000 1022 H CA 0.469 56.411 56.048 -0.177 0.000 1.195 1022 H CB 0.230 29.900 29.762 -0.154 0.000 1.368 1022 H HN 0.291 nan 8.280 nan 0.000 0.592 1023 H N -1.609 117.470 119.070 0.014 0.000 2.562 1023 H HA 0.127 4.691 4.556 0.013 0.000 0.249 1023 H C 1.202 176.500 175.328 -0.048 0.000 1.195 1023 H CA -0.174 55.860 56.048 -0.023 0.000 0.938 1023 H CB 0.658 30.391 29.762 -0.048 0.000 1.891 1023 H HN 0.103 nan 8.280 nan 0.000 0.595 1024 T N 0.368 114.929 114.554 0.011 0.000 2.635 1024 T HA -0.204 4.154 4.350 0.013 0.000 0.267 1024 T C 1.827 176.525 174.700 -0.003 0.000 1.040 1024 T CA 1.809 63.897 62.100 -0.021 0.000 1.156 1024 T CB -0.070 68.769 68.868 -0.047 0.000 0.863 1024 T HN 0.462 nan 8.240 nan 0.000 0.430 1025 N N 1.056 119.759 118.700 0.005 0.000 2.205 1025 N HA 0.002 4.750 4.740 0.013 0.000 0.186 1025 N C 1.720 177.247 175.510 0.029 0.000 1.015 1025 N CA 0.476 53.535 53.050 0.016 0.000 0.862 1025 N CB -0.552 37.946 38.487 0.017 0.000 0.986 1025 N HN 0.277 nan 8.380 nan 0.000 0.429 1026 L N -0.086 121.163 121.223 0.043 0.000 2.023 1026 L HA -0.081 4.267 4.340 0.013 0.000 0.205 1026 L C 1.518 178.414 176.870 0.043 0.000 1.073 1026 L CA 1.149 56.018 54.840 0.049 0.000 0.745 1026 L CB -0.281 41.830 42.059 0.086 0.000 0.900 1026 L HN 0.095 nan 8.230 nan 0.000 0.435 1027 L N 0.191 121.430 121.223 0.027 0.000 2.042 1027 L HA -0.240 4.108 4.340 0.013 0.000 0.210 1027 L C 2.495 179.400 176.870 0.058 0.000 1.076 1027 L CA 1.713 56.562 54.840 0.015 0.000 0.749 1027 L CB -0.976 41.064 42.059 -0.032 0.000 0.893 1027 L HN 0.227 nan 8.230 nan 0.000 0.432 1028 I N -1.109 119.483 120.570 0.037 0.000 2.179 1028 I HA -0.317 3.861 4.170 0.013 0.000 0.242 1028 I C 2.442 178.625 176.117 0.110 0.000 1.088 1028 I CA 1.131 62.468 61.300 0.062 0.000 1.357 1028 I CB -0.269 37.742 38.000 0.019 0.000 1.051 1028 I HN 0.206 nan 8.210 nan 0.000 0.409 1029 I N 0.853 121.465 120.570 0.070 0.000 2.286 1029 I HA -0.249 3.929 4.170 0.013 0.000 0.248 1029 I C 2.211 178.366 176.117 0.063 0.000 1.115 1029 I CA 1.684 63.018 61.300 0.057 0.000 1.392 1029 I CB -0.228 37.795 38.000 0.038 0.000 1.065 1029 I HN 0.088 nan 8.210 nan 0.000 0.418 1030 L N -1.055 120.214 121.223 0.075 0.000 2.056 1030 L HA -0.193 4.154 4.340 0.013 0.000 0.207 1030 L C 2.496 179.406 176.870 0.067 0.000 1.078 1030 L CA 1.535 56.414 54.840 0.065 0.000 0.749 1030 L CB -0.901 41.195 42.059 0.062 0.000 0.901 1030 L HN 0.271 nan 8.230 nan 0.000 0.433 1031 F N 0.489 120.418 119.950 -0.035 0.000 2.102 1031 F HA -0.288 4.247 4.527 0.013 0.000 0.298 1031 F C 2.914 178.686 175.800 -0.045 0.000 1.105 1031 F CA 1.826 59.800 58.000 -0.044 0.000 1.239 1031 F CB -0.279 38.703 39.000 -0.029 0.000 0.991 1031 F HN 0.005 nan 8.300 nan 0.000 0.474 1032 S N 0.250 116.007 115.700 0.095 0.000 2.359 1032 S HA -0.256 4.222 4.470 0.013 0.000 0.224 1032 S C 2.144 176.697 174.600 -0.078 0.000 1.035 1032 S CA 1.768 59.954 58.200 -0.023 0.000 1.018 1032 S CB -0.388 62.826 63.200 0.024 0.000 0.876 1032 S HN 0.521 nan 8.310 nan 0.000 0.448 1033 M N 0.463 120.052 119.600 -0.019 0.000 2.117 1033 M HA -0.078 4.410 4.480 0.013 0.000 0.262 1033 M C 2.428 178.716 176.300 -0.020 0.000 1.065 1033 M CA 1.787 57.117 55.300 0.049 0.000 1.114 1033 M CB -0.401 32.254 32.600 0.091 0.000 1.361 1033 M HN 0.513 nan 8.290 nan 0.000 0.408 1034 M N 0.253 119.781 119.600 -0.121 0.000 2.108 1034 M HA -0.243 4.245 4.480 0.013 0.000 0.261 1034 M C 1.735 177.893 176.300 -0.236 0.000 1.066 1034 M CA 1.735 56.921 55.300 -0.190 0.000 1.107 1034 M CB -0.019 32.431 32.600 -0.250 0.000 1.356 1034 M HN 0.190 nan 8.290 nan 0.000 0.406 1035 L N 0.256 121.284 121.223 -0.325 0.000 2.093 1035 L HA -0.086 4.262 4.340 0.013 0.000 0.208 1035 L C 2.314 179.096 176.870 -0.147 0.000 1.085 1035 L CA 1.754 56.411 54.840 -0.306 0.000 0.755 1035 L CB -0.659 41.154 42.059 -0.410 0.000 0.904 1035 L HN 0.400 nan 8.230 nan 0.000 0.435 1036 M N -1.764 117.800 119.600 -0.060 0.000 2.349 1036 M HA -0.067 4.421 4.480 0.013 0.000 0.266 1036 M C 1.774 178.072 176.300 -0.003 0.000 1.076 1036 M CA 1.686 57.013 55.300 0.045 0.000 1.126 1036 M CB -0.330 32.396 32.600 0.209 0.000 1.392 1036 M HN 0.418 nan 8.290 nan 0.000 0.440 1037 T N -4.233 110.292 114.554 -0.049 0.000 3.023 1037 T HA 0.273 4.631 4.350 0.013 0.000 0.253 1037 T C 1.359 175.983 174.700 -0.127 0.000 1.038 1037 T CA 0.559 62.579 62.100 -0.133 0.000 0.962 1037 T CB 0.411 69.168 68.868 -0.186 0.000 1.018 1037 T HN 0.363 nan 8.240 nan 0.000 0.521 1038 G N 1.087 109.816 108.800 -0.119 0.000 2.695 1038 G HA2 0.306 4.273 3.960 0.013 0.000 0.205 1038 G HA3 0.306 4.273 3.960 0.013 0.000 0.205 1038 G C 0.593 175.429 174.900 -0.106 0.000 1.068 1038 G CA -0.371 44.660 45.100 -0.115 0.000 0.842 1038 G HN 0.421 nan 8.290 nan 0.000 0.628 1039 M N 1.523 121.049 119.600 -0.123 0.000 2.634 1039 M HA 0.307 4.795 4.480 0.013 0.000 0.211 1039 M C -2.533 173.710 176.300 -0.096 0.000 1.019 1039 M CA -1.793 53.436 55.300 -0.119 0.000 0.834 1039 M CB 1.332 33.823 32.600 -0.181 0.000 1.376 1039 M HN -0.171 nan 8.290 nan 0.000 0.465 1040 P HA -0.214 nan 4.420 nan 0.000 0.218 1040 P C 1.606 178.882 177.300 -0.039 0.000 1.146 1040 P CA 1.539 64.603 63.100 -0.060 0.000 0.813 1040 P CB 0.094 31.759 31.700 -0.057 0.000 0.778 1041 Q N -1.078 118.700 119.800 -0.036 0.000 2.302 1041 Q HA -0.007 4.341 4.340 0.013 0.000 0.202 1041 Q C 0.555 176.539 176.000 -0.026 0.000 0.936 1041 Q CA 1.083 56.877 55.803 -0.015 0.000 0.886 1041 Q CB -0.763 27.977 28.738 0.004 0.000 0.986 1041 Q HN 0.217 nan 8.270 nan 0.000 0.487 1042 L N 3.206 124.382 121.223 -0.079 0.000 2.719 1042 L HA 0.275 4.623 4.340 0.013 0.000 0.236 1042 L C -0.006 176.798 176.870 -0.110 0.000 1.285 1042 L CA 0.355 55.118 54.840 -0.128 0.000 1.222 1042 L CB 0.566 42.463 42.059 -0.271 0.000 1.493 1042 L HN 0.245 nan 8.230 nan 0.000 0.415 1043 T N -3.801 110.732 114.554 -0.034 0.000 3.533 1043 T HA 0.340 4.697 4.350 0.013 0.000 0.275 1043 T C 0.380 175.148 174.700 0.113 0.000 1.000 1043 T CA -0.322 61.790 62.100 0.019 0.000 1.015 1043 T CB 0.129 69.030 68.868 0.054 0.000 1.153 1043 T HN 0.267 nan 8.240 nan 0.000 0.504 1044 S N 0.203 115.935 115.700 0.053 0.000 2.690 1044 S HA 0.487 4.965 4.470 0.013 0.000 0.291 1044 S C 1.142 175.718 174.600 -0.039 0.000 1.138 1044 S CA -0.992 57.271 58.200 0.105 0.000 1.013 1044 S CB 2.328 65.580 63.200 0.086 0.000 1.053 1044 S HN 0.293 nan 8.310 nan 0.000 0.539 1045 K N 0.155 120.561 120.400 0.009 0.000 2.209 1045 K HA -0.130 4.198 4.320 0.013 0.000 0.204 1045 K C 1.097 177.657 176.600 -0.066 0.000 1.048 1045 K CA 1.618 57.821 56.287 -0.139 0.000 0.940 1045 K CB -0.155 32.383 32.500 0.064 0.000 0.729 1045 K HN 0.689 nan 8.250 nan 0.000 0.451 1046 E N 0.624 120.833 120.200 0.014 0.000 2.170 1046 E HA -0.079 4.279 4.350 0.013 0.000 0.191 1046 E C 1.519 178.170 176.600 0.085 0.000 0.981 1046 E CA 0.870 57.302 56.400 0.054 0.000 0.830 1046 E CB -0.006 29.740 29.700 0.077 0.000 0.775 1046 E HN 0.278 nan 8.360 nan 0.000 0.470 1047 D N 0.516 120.952 120.400 0.059 0.000 2.104 1047 D HA -0.135 4.513 4.640 0.013 0.000 0.194 1047 D C 1.934 178.334 176.300 0.166 0.000 0.994 1047 D CA 0.976 55.018 54.000 0.070 0.000 0.830 1047 D CB -0.106 40.677 40.800 -0.028 0.000 0.959 1047 D HN 0.212 nan 8.370 nan 0.000 0.452 1048 I N 1.016 121.634 120.570 0.081 0.000 2.252 1048 I HA -0.166 4.012 4.170 0.013 0.000 0.245 1048 I C 1.659 177.906 176.117 0.216 0.000 1.102 1048 I CA 0.933 62.344 61.300 0.184 0.000 1.385 1048 I CB -0.268 37.683 38.000 -0.081 0.000 1.064 1048 I HN -0.093 nan 8.210 nan 0.000 0.414 1049 E N 0.126 120.375 120.200 0.083 0.000 2.438 1049 E HA -0.166 4.192 4.350 0.013 0.000 0.192 1049 E C 1.345 177.969 176.600 0.040 0.000 1.110 1049 E CA 0.160 56.580 56.400 0.034 0.000 0.893 1049 E CB -0.040 29.661 29.700 0.003 0.000 0.990 1049 E HN 0.568 nan 8.360 nan 0.000 0.490 1050 Y N 0.417 120.699 120.300 -0.031 0.000 2.243 1050 Y HA -0.084 4.474 4.550 0.013 0.000 0.293 1050 Y C 1.937 177.703 175.900 -0.224 0.000 1.124 1050 Y CA 0.995 59.048 58.100 -0.078 0.000 1.159 1050 Y CB 0.057 38.512 38.460 -0.008 0.000 1.008 1050 Y HN 0.040 nan 8.280 nan 0.000 0.527 1051 I N 0.324 120.692 120.570 -0.336 0.000 2.614 1051 I HA -0.236 3.941 4.170 0.013 0.000 0.258 1051 I C 2.136 178.040 176.117 -0.354 0.000 1.189 1051 I CA 0.920 61.900 61.300 -0.533 0.000 1.462 1051 I CB -0.210 37.276 38.000 -0.855 0.000 1.092 1051 I HN 0.282 nan 8.210 nan 0.000 0.442 1052 R N 0.559 120.910 120.500 -0.248 0.000 2.073 1052 R HA -0.176 4.172 4.340 0.013 0.000 0.234 1052 R C 1.810 177.993 176.300 -0.194 0.000 1.134 1052 R CA 1.914 57.912 56.100 -0.170 0.000 0.952 1052 R CB -0.412 29.822 30.300 -0.110 0.000 0.850 1052 R HN 0.413 nan 8.270 nan 0.000 0.433 1053 D N 0.571 120.819 120.400 -0.253 0.000 2.117 1053 D HA -0.093 4.555 4.640 0.013 0.000 0.198 1053 D C 1.873 178.027 176.300 -0.243 0.000 0.982 1053 D CA 1.398 55.251 54.000 -0.246 0.000 0.828 1053 D CB -0.326 40.338 40.800 -0.227 0.000 0.967 1053 D HN 0.225 nan 8.370 nan 0.000 0.464 1054 A N 0.842 123.414 122.820 -0.413 0.000 1.940 1054 A HA -0.124 4.204 4.320 0.013 0.000 0.219 1054 A C 2.140 179.835 177.584 0.185 0.000 1.176 1054 A CA 0.978 52.839 52.037 -0.293 0.000 0.631 1054 A CB -0.714 17.835 19.000 -0.751 0.000 0.814 1054 A HN 0.237 nan 8.150 nan 0.000 0.446 1055 L N 0.952 122.183 121.223 0.013 0.000 2.653 1055 L HA 0.042 4.390 4.340 0.013 0.000 0.232 1055 L C 0.862 177.733 176.870 0.002 0.000 1.169 1055 L CA 0.463 55.337 54.840 0.057 0.000 0.951 1055 L CB -0.715 41.300 42.059 -0.073 0.000 1.181 1055 L HN 0.606 nan 8.230 nan 0.000 0.460 1056 T N -2.307 112.222 114.554 -0.042 0.000 3.398 1056 T HA -0.190 4.168 4.350 0.013 0.000 0.408 1056 T C 0.280 174.919 174.700 -0.103 0.000 0.769 1056 T CA -0.224 61.783 62.100 -0.155 0.000 2.018 1056 T CB -2.737 66.025 68.868 -0.176 0.000 1.703 1056 T HN 0.012 nan 8.240 nan 0.000 0.639 1057 V N 1.407 121.262 119.914 -0.099 0.000 2.814 1057 V HA 0.397 4.525 4.120 0.013 0.000 0.307 1057 V C 1.905 177.962 176.094 -0.062 0.000 1.089 1057 V CA 0.887 63.142 62.300 -0.075 0.000 1.212 1057 V CB -0.070 31.711 31.823 -0.069 0.000 0.912 1057 V HN 1.952 nan 8.190 nan 0.000 0.497 1058 G N 3.472 112.244 108.800 -0.046 0.000 2.359 1058 G HA2 -0.199 3.769 3.960 0.013 0.000 0.298 1058 G HA3 -0.199 3.769 3.960 0.013 0.000 0.298 1058 G C -0.214 174.667 174.900 -0.033 0.000 1.030 1058 G CA 0.050 45.130 45.100 -0.034 0.000 1.149 1058 G HN 0.576 nan 8.290 nan 0.000 0.512 1059 K N -0.070 120.312 120.400 -0.030 0.000 2.502 1059 K HA 0.310 4.638 4.320 0.013 0.000 0.257 1059 K C 0.119 176.717 176.600 -0.004 0.000 0.938 1059 K CA -1.166 55.109 56.287 -0.019 0.000 0.819 1059 K CB 1.196 33.679 32.500 -0.028 0.000 1.333 1059 K HN 0.182 nan 8.250 nan 0.000 0.434 1060 N N 1.669 120.374 118.700 0.008 0.000 2.329 1060 N HA -0.052 4.696 4.740 0.013 0.000 0.237 1060 N C 1.067 176.592 175.510 0.025 0.000 1.258 1060 N CA 0.293 53.353 53.050 0.016 0.000 0.866 1060 N CB 0.624 39.124 38.487 0.021 0.000 1.102 1060 N HN 0.504 nan 8.380 nan 0.000 0.440 1061 E N 1.153 121.366 120.200 0.023 0.000 2.153 1061 E HA -0.191 4.167 4.350 0.013 0.000 0.194 1061 E C 0.964 177.592 176.600 0.047 0.000 0.988 1061 E CA 1.049 57.462 56.400 0.023 0.000 0.811 1061 E CB 0.151 29.862 29.700 0.019 0.000 0.746 1061 E HN 0.588 nan 8.360 nan 0.000 0.466 1062 E N 0.824 121.050 120.200 0.044 0.000 2.028 1062 E HA -0.177 4.180 4.350 0.013 0.000 0.191 1062 E C 1.825 178.471 176.600 0.076 0.000 0.988 1062 E CA 1.077 57.508 56.400 0.052 0.000 0.799 1062 E CB -0.016 29.708 29.700 0.040 0.000 0.755 1062 E HN 0.215 nan 8.360 nan 0.000 0.447 1063 D N 0.894 121.338 120.400 0.073 0.000 2.106 1063 D HA -0.195 4.453 4.640 0.013 0.000 0.191 1063 D C 1.990 178.383 176.300 0.155 0.000 0.997 1063 D CA 1.496 55.551 54.000 0.092 0.000 0.834 1063 D CB -0.419 40.417 40.800 0.061 0.000 0.956 1063 D HN 0.160 nan 8.370 nan 0.000 0.448 1064 A N 1.462 124.379 122.820 0.162 0.000 1.892 1064 A HA -0.278 4.050 4.320 0.013 0.000 0.218 1064 A C 2.094 179.903 177.584 0.375 0.000 1.188 1064 A CA 2.455 54.673 52.037 0.302 0.000 0.631 1064 A CB -0.720 18.427 19.000 0.244 0.000 0.822 1064 A HN 0.283 nan 8.150 nan 0.000 0.447 1065 K N 0.005 120.548 120.400 0.238 0.000 2.059 1065 K HA -0.262 4.066 4.320 0.013 0.000 0.212 1065 K C 1.983 178.681 176.600 0.164 0.000 1.050 1065 K CA 2.068 58.465 56.287 0.183 0.000 0.927 1065 K CB -0.268 32.291 32.500 0.098 0.000 0.714 1065 K HN 0.504 nan 8.250 nan 0.000 0.447 1066 K N -0.406 120.084 120.400 0.149 0.000 2.057 1066 K HA -0.201 4.127 4.320 0.013 0.000 0.207 1066 K C 2.201 178.879 176.600 0.130 0.000 1.049 1066 K CA 1.732 58.090 56.287 0.118 0.000 0.931 1066 K CB -0.477 32.086 32.500 0.105 0.000 0.714 1066 K HN 0.272 nan 8.250 nan 0.000 0.440 1067 Y N 0.707 121.046 120.300 0.065 0.000 2.102 1067 Y HA -0.355 4.203 4.550 0.013 0.000 0.280 1067 Y C 2.124 177.996 175.900 -0.046 0.000 1.178 1067 Y CA 1.773 59.897 58.100 0.039 0.000 1.146 1067 Y CB -0.302 38.221 38.460 0.106 0.000 0.968 1067 Y HN 0.018 nan 8.280 nan 0.000 0.504 1068 F N 0.085 119.874 119.950 -0.269 0.000 2.146 1068 F HA -0.179 4.356 4.527 0.013 0.000 0.298 1068 F C 1.959 177.566 175.800 -0.321 0.000 1.096 1068 F CA 1.466 59.151 58.000 -0.525 0.000 1.275 1068 F CB -0.400 38.216 39.000 -0.639 0.000 1.008 1068 F HN 0.010 nan 8.300 nan 0.000 0.480 1069 L N -0.209 121.006 121.223 -0.014 0.000 2.191 1069 L HA -0.231 4.117 4.340 0.013 0.000 0.212 1069 L C 1.952 178.762 176.870 -0.100 0.000 1.103 1069 L CA 1.102 55.931 54.840 -0.017 0.000 0.769 1069 L CB -0.742 41.342 42.059 0.041 0.000 0.908 1069 L HN 0.128 nan 8.230 nan 0.000 0.438 1070 D N -0.532 119.768 120.400 -0.166 0.000 2.117 1070 D HA -0.155 4.493 4.640 0.013 0.000 0.198 1070 D C 2.325 178.443 176.300 -0.304 0.000 0.982 1070 D CA 0.889 54.776 54.000 -0.188 0.000 0.828 1070 D CB -0.088 40.609 40.800 -0.173 0.000 0.967 1070 D HN 0.311 nan 8.370 nan 0.000 0.464 1071 Q N 0.630 120.118 119.800 -0.520 0.000 2.061 1071 Q HA -0.119 4.229 4.340 0.013 0.000 0.204 1071 Q C 2.634 178.303 176.000 -0.552 0.000 0.984 1071 Q CA 0.684 56.094 55.803 -0.655 0.000 0.846 1071 Q CB -0.488 27.621 28.738 -1.050 0.000 0.902 1071 Q HN 0.440 nan 8.270 nan 0.000 0.421 1072 I N 1.149 121.506 120.570 -0.354 0.000 2.127 1072 I HA -0.256 3.922 4.170 0.013 0.000 0.241 1072 I C 2.195 178.272 176.117 -0.066 0.000 1.075 1072 I CA 1.214 62.479 61.300 -0.058 0.000 1.334 1072 I CB -0.338 37.770 38.000 0.180 0.000 1.040 1072 I HN 0.177 nan 8.210 nan 0.000 0.405 1073 E N 0.428 120.593 120.200 -0.057 0.000 2.204 1073 E HA -0.138 4.220 4.350 0.013 0.000 0.195 1073 E C 2.332 178.868 176.600 -0.106 0.000 0.990 1073 E CA 0.951 57.328 56.400 -0.038 0.000 0.821 1073 E CB -0.147 29.542 29.700 -0.018 0.000 0.750 1073 E HN 0.369 nan 8.360 nan 0.000 0.477 1074 V N 0.349 120.154 119.914 -0.182 0.000 2.548 1074 V HA -0.219 3.909 4.120 0.013 0.000 0.249 1074 V C 2.378 178.343 176.094 -0.215 0.000 1.055 1074 V CA 1.191 63.377 62.300 -0.191 0.000 1.065 1074 V CB -0.413 31.274 31.823 -0.226 0.000 0.681 1074 V HN 0.317 nan 8.190 nan 0.000 0.462 1075 C N -0.294 118.831 119.300 -0.292 0.000 2.450 1075 C HA -0.051 4.417 4.460 0.013 0.000 0.279 1075 C C 2.841 177.716 174.990 -0.191 0.000 1.335 1075 C CA 0.393 59.242 59.018 -0.283 0.000 1.749 1075 C CB -1.114 26.402 27.740 -0.373 0.000 1.963 1075 C HN 0.486 nan 8.230 nan 0.000 0.501 1076 R N 1.189 121.606 120.500 -0.139 0.000 2.062 1076 R HA -0.082 4.266 4.340 0.013 0.000 0.229 1076 R C 1.355 177.589 176.300 -0.110 0.000 1.128 1076 R CA 1.358 57.389 56.100 -0.116 0.000 0.960 1076 R CB -0.704 29.550 30.300 -0.077 0.000 0.855 1076 R HN 0.474 nan 8.270 nan 0.000 0.432 1077 D N 0.471 120.814 120.400 -0.096 0.000 2.378 1077 D HA -0.075 4.573 4.640 0.013 0.000 0.222 1077 D C 1.447 177.703 176.300 -0.073 0.000 0.980 1077 D CA 0.932 54.888 54.000 -0.074 0.000 0.907 1077 D CB 0.176 40.937 40.800 -0.065 0.000 0.899 1077 D HN 0.022 nan 8.370 nan 0.000 0.527 1078 K N -0.765 119.576 120.400 -0.099 0.000 2.287 1078 K HA 0.224 4.552 4.320 0.013 0.000 0.199 1078 K C 1.588 178.134 176.600 -0.091 0.000 1.061 1078 K CA 0.791 57.028 56.287 -0.083 0.000 0.976 1078 K CB -0.028 32.415 32.500 -0.095 0.000 0.898 1078 K HN 0.136 nan 8.250 nan 0.000 0.492 1079 G N 1.210 109.907 108.800 -0.172 0.000 2.602 1079 G HA2 -0.328 3.640 3.960 0.013 0.000 0.310 1079 G HA3 -0.328 3.640 3.960 0.013 0.000 0.310 1079 G C 0.438 175.116 174.900 -0.369 0.000 1.183 1079 G CA 0.579 45.512 45.100 -0.279 0.000 0.979 1079 G HN 0.410 nan 8.290 nan 0.000 0.545 1080 W N 1.710 122.987 121.300 -0.039 0.000 3.239 1080 W HA 0.416 5.084 4.660 0.013 0.000 0.348 1080 W C 2.528 179.089 176.519 0.068 0.000 1.183 1080 W CA 0.505 57.835 57.345 -0.024 0.000 1.819 1080 W CB 0.074 29.551 29.460 0.029 0.000 1.091 1080 W HN 0.504 nan 8.180 nan 0.000 0.629 1081 T N 0.809 115.482 114.554 0.199 0.000 2.580 1081 T HA -0.258 4.100 4.350 0.013 0.000 0.265 1081 T C 1.868 176.705 174.700 0.228 0.000 1.063 1081 T CA 2.048 64.260 62.100 0.185 0.000 1.170 1081 T CB -0.713 68.202 68.868 0.079 0.000 0.863 1081 T HN -0.087 nan 8.240 nan 0.000 0.418 1082 V N 1.525 121.523 119.914 0.140 0.000 2.427 1082 V HA -0.144 3.984 4.120 0.013 0.000 0.248 1082 V C 2.807 179.064 176.094 0.271 0.000 1.051 1082 V CA 1.385 63.743 62.300 0.096 0.000 1.048 1082 V CB -0.644 31.225 31.823 0.077 0.000 0.666 1082 V HN 0.399 nan 8.190 nan 0.000 0.456 1083 Q N -0.601 119.419 119.800 0.367 0.000 2.030 1083 Q HA -0.242 4.106 4.340 0.013 0.000 0.204 1083 Q C 2.168 178.496 176.000 0.547 0.000 0.986 1083 Q CA 2.214 58.278 55.803 0.435 0.000 0.843 1083 Q CB -0.695 28.123 28.738 0.134 0.000 0.904 1083 Q HN 0.673 nan 8.270 nan 0.000 0.420 1084 F N 2.328 122.533 119.950 0.425 0.000 2.126 1084 F HA -0.250 4.285 4.527 0.013 0.000 0.299 1084 F C 1.686 177.721 175.800 0.393 0.000 1.096 1084 F CA 1.569 59.870 58.000 0.502 0.000 1.255 1084 F CB -0.306 38.892 39.000 0.330 0.000 0.997 1084 F HN 0.100 nan 8.300 nan 0.000 0.479 1085 N N 0.003 118.821 118.700 0.197 0.000 2.069 1085 N HA -0.234 4.514 4.740 0.013 0.000 0.191 1085 N C 1.635 177.104 175.510 -0.068 0.000 1.031 1085 N CA 2.048 55.070 53.050 -0.048 0.000 0.852 1085 N CB -1.066 37.362 38.487 -0.098 0.000 1.018 1085 N HN 0.512 nan 8.380 nan 0.000 0.423 1086 W N 0.388 121.724 121.300 0.060 0.000 2.321 1086 W HA -0.155 4.513 4.660 0.014 0.000 0.306 1086 W C 2.076 178.494 176.519 -0.168 0.000 1.217 1086 W CA 0.494 57.805 57.345 -0.057 0.000 1.257 1086 W CB -0.708 28.774 29.460 0.036 0.000 1.145 1086 W HN 0.035 nan 8.180 nan 0.000 0.509 1087 F N 0.475 120.492 119.950 0.113 0.000 2.161 1087 F HA -0.223 4.312 4.527 0.013 0.000 0.300 1087 F C 2.033 177.762 175.800 -0.118 0.000 1.089 1087 F CA 1.674 59.702 58.000 0.047 0.000 1.282 1087 F CB -0.428 38.686 39.000 0.190 0.000 1.010 1087 F HN -0.238 nan 8.300 nan 0.000 0.485 1088 L N -1.042 120.123 121.223 -0.097 0.000 2.056 1088 L HA -0.224 4.124 4.340 0.013 0.000 0.207 1088 L C 2.601 179.397 176.870 -0.124 0.000 1.078 1088 L CA 1.440 56.177 54.840 -0.171 0.000 0.749 1088 L CB -1.065 40.862 42.059 -0.220 0.000 0.901 1088 L HN 0.259 nan 8.230 nan 0.000 0.433 1089 H N 0.410 119.396 119.070 -0.140 0.000 2.266 1089 H HA -0.075 4.489 4.556 0.013 0.000 0.308 1089 H C 2.220 177.499 175.328 -0.083 0.000 1.057 1089 H CA 1.679 57.673 56.048 -0.090 0.000 1.330 1089 H CB 0.084 29.810 29.762 -0.059 0.000 1.400 1089 H HN 0.048 nan 8.280 nan 0.000 0.503 1090 L N 0.249 121.577 121.223 0.174 0.000 1.988 1090 L HA -0.135 4.213 4.340 0.013 0.000 0.207 1090 L C 3.079 179.886 176.870 -0.105 0.000 1.071 1090 L CA 0.994 55.873 54.840 0.063 0.000 0.744 1090 L CB -1.072 40.956 42.059 -0.052 0.000 0.893 1090 L HN 0.074 nan 8.230 nan 0.000 0.433 1091 V N -0.341 119.405 119.914 -0.280 0.000 2.332 1091 V HA -0.261 3.867 4.120 0.013 0.000 0.248 1091 V C 2.026 177.932 176.094 -0.314 0.000 1.055 1091 V CA 2.375 64.436 62.300 -0.399 0.000 1.038 1091 V CB -0.544 30.678 31.823 -1.002 0.000 0.651 1091 V HN 0.530 nan 8.190 nan 0.000 0.450 1092 L N -2.563 118.479 121.223 -0.302 0.000 2.919 1092 L HA 0.815 5.163 4.340 0.013 0.000 0.169 1092 L C 1.315 178.102 176.870 -0.138 0.000 1.228 1092 L CA 1.248 55.972 54.840 -0.193 0.000 0.862 1092 L CB -0.280 41.666 42.059 -0.187 0.000 1.313 1092 L HN 0.112 nan 8.230 nan 0.000 0.526 1093 G N 0.588 109.287 108.800 -0.168 0.000 3.198 1093 G HA2 0.192 4.160 3.960 0.013 0.000 0.228 1093 G HA3 0.192 4.160 3.960 0.013 0.000 0.228 1093 G C -0.502 174.269 174.900 -0.216 0.000 1.499 1093 G CA -0.328 44.653 45.100 -0.199 0.000 1.104 1093 G HN 0.187 nan 8.290 nan 0.000 0.563 1094 I N 0.000 120.442 120.570 -0.214 0.000 2.984 1094 I HA 0.000 4.178 4.170 0.013 0.000 0.288 1094 I CA 0.000 61.206 61.300 -0.156 0.000 1.566 1094 I CB 0.000 37.944 38.000 -0.093 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494