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 1jw0_1_B DATA FIRST_RESID 170 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GSTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAH SFDDYEAAXA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGN VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYCPAN HPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQFSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDRDFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAAFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGIRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF 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 170 S HA 0.000 nan 4.470 nan 0.000 0.327 170 S C 0.000 174.369 174.600 -0.385 0.000 1.055 170 S CA 0.000 57.882 58.200 -0.531 0.000 1.107 170 S CB 0.000 63.098 63.200 -0.169 0.000 0.593 171 N N 1.393 119.761 118.700 -0.553 0.000 2.362 171 N HA 0.803 5.544 4.740 0.002 0.000 0.299 171 N C -1.174 174.191 175.510 -0.241 0.000 1.170 171 N CA -0.725 52.079 53.050 -0.410 0.000 0.825 171 N CB 2.032 40.034 38.487 -0.809 0.000 1.299 171 N HN 0.766 nan 8.380 nan 0.000 0.502 172 S N -0.311 115.329 115.700 -0.101 0.000 2.566 172 S HA 0.627 5.098 4.470 0.002 0.000 0.273 172 S C -1.872 172.910 174.600 0.304 0.000 1.157 172 S CA -0.935 57.317 58.200 0.088 0.000 0.938 172 S CB 1.199 64.517 63.200 0.196 0.000 1.087 172 S HN 0.472 nan 8.310 nan 0.000 0.474 173 W N 1.040 122.501 121.300 0.268 0.000 3.022 173 W HA 0.808 5.469 4.660 0.001 0.000 0.335 173 W C -0.636 176.087 176.519 0.340 0.000 1.133 173 W CA -1.196 56.346 57.345 0.328 0.000 1.219 173 W CB 2.216 31.887 29.460 0.351 0.000 1.409 173 W HN 1.130 nan 8.180 nan 0.000 0.507 174 A N 2.373 125.506 122.820 0.520 0.000 2.402 174 A HA 0.733 5.054 4.320 0.002 0.000 0.291 174 A C -1.691 176.023 177.584 0.217 0.000 1.051 174 A CA -0.532 51.689 52.037 0.306 0.000 0.716 174 A CB 1.143 20.296 19.000 0.254 0.000 1.223 174 A HN 0.255 nan 8.150 nan 0.000 0.425 175 V N 2.125 122.073 119.914 0.057 0.000 2.435 175 V HA 0.684 4.805 4.120 0.002 0.000 0.290 175 V C 0.836 176.913 176.094 -0.029 0.000 1.030 175 V CA -0.267 62.028 62.300 -0.009 0.000 0.881 175 V CB 1.435 33.140 31.823 -0.197 0.000 0.983 175 V HN 1.225 nan 8.190 nan 0.000 0.445 176 A N 6.192 129.013 122.820 0.001 0.000 2.351 176 A HA 0.576 4.897 4.320 0.002 0.000 0.257 176 A C -1.444 176.114 177.584 -0.042 0.000 1.087 176 A CA -1.182 50.842 52.037 -0.022 0.000 0.798 176 A CB 0.188 19.181 19.000 -0.012 0.000 1.033 176 A HN 0.695 nan 8.150 nan 0.000 0.488 177 P HA -0.180 nan 4.420 nan 0.000 0.216 177 P C 1.639 178.913 177.300 -0.043 0.000 1.157 177 P CA 2.170 65.243 63.100 -0.046 0.000 0.880 177 P CB 0.065 31.743 31.700 -0.036 0.000 0.791 178 G N -0.488 108.292 108.800 -0.034 0.000 2.479 178 G HA2 -0.269 3.692 3.960 0.002 0.000 0.220 178 G HA3 -0.269 3.692 3.960 0.002 0.000 0.220 178 G C 1.454 176.335 174.900 -0.032 0.000 1.115 178 G CA 0.598 45.681 45.100 -0.029 0.000 0.757 178 G HN 0.316 nan 8.290 nan 0.000 0.560 179 K N 0.421 120.800 120.400 -0.035 0.000 2.374 179 K HA 0.108 4.429 4.320 0.002 0.000 0.196 179 K C 0.670 177.225 176.600 -0.075 0.000 1.023 179 K CA 0.356 56.617 56.287 -0.043 0.000 1.103 179 K CB 0.191 32.679 32.500 -0.021 0.000 0.848 179 K HN 0.401 nan 8.250 nan 0.000 0.528 180 T N -4.522 109.984 114.554 -0.079 0.000 2.949 180 T HA 0.553 4.904 4.350 0.002 0.000 0.287 180 T C 1.001 175.656 174.700 -0.075 0.000 1.034 180 T CA -0.546 61.495 62.100 -0.097 0.000 1.018 180 T CB 1.837 70.632 68.868 -0.121 0.000 1.135 180 T HN -0.046 nan 8.240 nan 0.000 0.532 181 A N 1.093 123.867 122.820 -0.077 0.000 1.898 181 A HA 0.091 4.412 4.320 0.002 0.000 0.214 181 A C 2.014 179.567 177.584 -0.053 0.000 1.183 181 A CA 0.666 52.667 52.037 -0.061 0.000 0.622 181 A CB -0.814 18.150 19.000 -0.060 0.000 0.824 181 A HN 0.766 nan 8.150 nan 0.000 0.444 182 N N -0.773 117.893 118.700 -0.058 0.000 2.412 182 N HA 0.155 4.896 4.740 0.002 0.000 0.184 182 N C 1.087 176.572 175.510 -0.041 0.000 1.101 182 N CA 1.059 54.081 53.050 -0.046 0.000 0.881 182 N CB 0.338 38.796 38.487 -0.048 0.000 0.969 182 N HN 0.659 nan 8.380 nan 0.000 0.459 183 G N 0.400 109.171 108.800 -0.047 0.000 2.136 183 G HA2 -0.238 3.723 3.960 0.002 0.000 0.242 183 G HA3 -0.238 3.723 3.960 0.002 0.000 0.242 183 G C -0.375 174.505 174.900 -0.034 0.000 0.989 183 G CA -0.311 44.766 45.100 -0.039 0.000 0.682 183 G HN 0.296 nan 8.290 nan 0.000 0.522 184 N N 0.475 119.150 118.700 -0.042 0.000 2.361 184 N HA 0.661 5.402 4.740 0.002 0.000 0.302 184 N C 0.479 175.968 175.510 -0.035 0.000 1.074 184 N CA 0.260 53.298 53.050 -0.020 0.000 0.850 184 N CB 1.803 40.283 38.487 -0.013 0.000 1.228 184 N HN 0.613 nan 8.380 nan 0.000 0.491 185 A N 1.852 124.679 122.820 0.012 0.000 2.507 185 A HA 0.365 4.686 4.320 0.002 0.000 0.235 185 A C -0.042 177.543 177.584 0.001 0.000 1.070 185 A CA 0.193 52.233 52.037 0.005 0.000 0.768 185 A CB 0.059 19.065 19.000 0.009 0.000 1.011 185 A HN 0.641 nan 8.150 nan 0.000 0.502 186 L N 1.127 122.267 121.223 -0.137 0.000 2.381 186 L HA 0.657 4.998 4.340 0.002 0.000 0.268 186 L C -0.863 175.904 176.870 -0.173 0.000 0.997 186 L CA -0.747 53.875 54.840 -0.363 0.000 0.818 186 L CB 1.817 43.300 42.059 -0.961 0.000 1.310 186 L HN 0.691 nan 8.230 nan 0.000 0.416 187 L N 3.434 124.643 121.223 -0.023 0.000 2.431 187 L HA 0.681 5.022 4.340 0.002 0.000 0.266 187 L C -1.666 175.426 176.870 0.371 0.000 0.978 187 L CA -0.448 54.535 54.840 0.238 0.000 0.822 187 L CB 2.130 44.351 42.059 0.270 0.000 1.310 187 L HN 0.490 nan 8.230 nan 0.000 0.409 188 L N 3.765 125.257 121.223 0.448 0.000 2.333 188 L HA 0.589 4.930 4.340 0.002 0.000 0.280 188 L C -1.090 175.861 176.870 0.135 0.000 1.004 188 L CA 0.099 55.093 54.840 0.257 0.000 0.820 188 L CB 1.758 43.906 42.059 0.149 0.000 1.247 188 L HN 0.721 nan 8.230 nan 0.000 0.416 189 Q N 4.690 124.523 119.800 0.054 0.000 2.347 189 Q HA 0.382 4.723 4.340 0.002 0.000 0.262 189 Q C -0.650 175.262 176.000 -0.147 0.000 0.980 189 Q CA -0.041 55.824 55.803 0.104 0.000 0.867 189 Q CB 1.179 30.086 28.738 0.283 0.000 1.242 189 Q HN 0.709 nan 8.270 nan 0.000 0.453 190 N N 2.956 121.549 118.700 -0.178 0.000 2.651 190 N HA 0.176 4.917 4.740 0.002 0.000 0.277 190 N C -2.699 172.501 175.510 -0.516 0.000 1.787 190 N CA -1.381 51.445 53.050 -0.374 0.000 0.818 190 N CB 1.036 39.257 38.487 -0.444 0.000 1.316 190 N HN 0.338 nan 8.380 nan 0.000 0.503 191 P HA 0.103 nan 4.420 nan 0.000 0.276 191 P C -1.216 175.928 177.300 -0.260 0.000 1.230 191 P CA 0.285 63.174 63.100 -0.351 0.000 0.776 191 P CB 0.858 32.250 31.700 -0.514 0.000 0.888 192 H N 3.164 122.189 119.070 -0.075 0.000 2.541 192 H HA 0.552 5.109 4.556 0.002 0.000 0.316 192 H C 0.277 175.555 175.328 -0.083 0.000 1.043 192 H CA -0.404 55.530 56.048 -0.190 0.000 1.232 192 H CB 0.912 30.517 29.762 -0.262 0.000 1.406 192 H HN 0.378 nan 8.280 nan 0.000 0.469 193 L N 0.555 121.802 121.223 0.040 0.000 2.491 193 L HA 0.272 4.613 4.340 0.002 0.000 0.254 193 L C 0.371 177.440 176.870 0.331 0.000 1.048 193 L CA -1.030 53.893 54.840 0.139 0.000 0.855 193 L CB 2.311 44.310 42.059 -0.099 0.000 1.466 193 L HN 0.448 nan 8.230 nan 0.000 0.409 194 S N -0.488 115.463 115.700 0.420 0.000 2.558 194 S HA -0.018 4.453 4.470 0.002 0.000 0.288 194 S C 0.156 175.071 174.600 0.525 0.000 1.318 194 S CA 0.207 58.677 58.200 0.449 0.000 1.056 194 S CB 0.290 63.717 63.200 0.379 0.000 0.853 194 S HN 0.468 nan 8.310 nan 0.000 0.505 195 W N 2.334 123.754 121.300 0.199 0.000 2.905 195 W HA 0.145 4.806 4.660 0.002 0.000 0.251 195 W C 2.396 178.960 176.519 0.074 0.000 1.305 195 W CA 0.705 58.199 57.345 0.248 0.000 1.465 195 W CB -0.954 28.659 29.460 0.254 0.000 1.122 195 W HN 0.957 nan 8.180 nan 0.000 0.659 196 T N -5.926 108.777 114.554 0.249 0.000 2.987 196 T HA 0.100 4.451 4.350 0.002 0.000 0.248 196 T C 0.890 175.562 174.700 -0.048 0.000 0.997 196 T CA 0.154 62.305 62.100 0.084 0.000 1.013 196 T CB -0.437 68.487 68.868 0.093 0.000 1.077 196 T HN -0.279 nan 8.240 nan 0.000 0.483 197 T N 4.565 119.079 114.554 -0.067 0.000 2.831 197 T HA 0.096 4.446 4.350 0.002 0.000 0.291 197 T C 1.108 175.571 174.700 -0.395 0.000 0.981 197 T CA 0.380 62.291 62.100 -0.315 0.000 1.174 197 T CB 0.738 69.326 68.868 -0.467 0.000 0.929 197 T HN 0.537 nan 8.240 nan 0.000 0.532 198 D N 3.566 123.720 120.400 -0.409 0.000 2.106 198 D HA -0.265 4.376 4.640 0.002 0.000 0.191 198 D C 1.618 177.768 176.300 -0.250 0.000 0.997 198 D CA 1.750 55.578 54.000 -0.288 0.000 0.834 198 D CB -0.732 39.953 40.800 -0.191 0.000 0.956 198 D HN 0.841 nan 8.370 nan 0.000 0.448 199 Y N -1.874 118.314 120.300 -0.186 0.000 2.632 199 Y HA 0.268 4.819 4.550 0.001 0.000 0.301 199 Y C 1.441 177.316 175.900 -0.042 0.000 1.172 199 Y CA -0.410 57.593 58.100 -0.161 0.000 1.328 199 Y CB -1.224 37.107 38.460 -0.215 0.000 1.016 199 Y HN 0.017 nan 8.280 nan 0.000 0.529 200 F N 0.018 119.863 119.950 -0.176 0.000 2.678 200 F HA 0.192 4.720 4.527 0.002 0.000 0.305 200 F C 0.527 176.106 175.800 -0.369 0.000 1.090 200 F CA -0.594 57.289 58.000 -0.195 0.000 1.272 200 F CB 0.468 39.385 39.000 -0.139 0.000 1.060 200 F HN -0.148 nan 8.300 nan 0.000 0.576 201 T N 1.076 115.553 114.554 -0.128 0.000 2.779 201 T HA 0.084 4.434 4.350 0.002 0.000 0.296 201 T C -0.499 174.141 174.700 -0.100 0.000 0.938 201 T CA 0.276 62.250 62.100 -0.210 0.000 1.119 201 T CB 0.045 68.759 68.868 -0.256 0.000 0.891 201 T HN 0.022 nan 8.240 nan 0.000 0.526 202 Y N 1.857 122.276 120.300 0.198 0.000 2.307 202 Y HA 0.439 4.990 4.550 0.002 0.000 0.324 202 Y C -0.059 175.941 175.900 0.167 0.000 1.238 202 Y CA -0.874 57.307 58.100 0.134 0.000 1.280 202 Y CB 0.827 39.314 38.460 0.045 0.000 1.248 202 Y HN 0.560 nan 8.280 nan 0.000 0.508 203 Y N 1.821 122.165 120.300 0.074 0.000 2.462 203 Y HA 0.318 4.869 4.550 0.002 0.000 0.346 203 Y C -0.868 174.887 175.900 -0.241 0.000 0.976 203 Y CA -1.665 56.402 58.100 -0.054 0.000 1.044 203 Y CB 1.582 40.009 38.460 -0.054 0.000 1.230 203 Y HN 0.629 nan 8.280 nan 0.000 0.455 204 E N 3.969 123.719 120.200 -0.750 0.000 2.175 204 E HA 0.758 5.109 4.350 0.002 0.000 0.278 204 E C -1.530 174.492 176.600 -0.963 0.000 0.969 204 E CA -0.548 55.339 56.400 -0.855 0.000 0.796 204 E CB 0.961 30.281 29.700 -0.634 0.000 1.104 204 E HN 0.812 nan 8.360 nan 0.000 0.395 205 A N 3.759 126.095 122.820 -0.807 0.000 2.602 205 A HA 0.542 4.863 4.320 0.002 0.000 0.290 205 A C -1.859 175.363 177.584 -0.604 0.000 1.114 205 A CA -0.675 51.002 52.037 -0.601 0.000 0.683 205 A CB 1.632 20.422 19.000 -0.349 0.000 1.281 205 A HN 0.730 nan 8.150 nan 0.000 0.416 206 H N -0.037 118.775 119.070 -0.429 0.000 3.018 206 H HA 0.675 5.232 4.556 0.001 0.000 0.334 206 H C -2.210 173.075 175.328 -0.073 0.000 0.983 206 H CA -0.820 55.069 56.048 -0.264 0.000 1.363 206 H CB 0.906 30.616 29.762 -0.087 0.000 1.668 206 H HN 0.441 nan 8.280 nan 0.000 0.513 207 L N 5.564 126.771 121.223 -0.027 0.000 2.322 207 L HA 0.594 4.935 4.340 0.002 0.000 0.281 207 L C -0.714 176.054 176.870 -0.170 0.000 1.014 207 L CA -0.701 54.104 54.840 -0.059 0.000 0.815 207 L CB 1.849 44.015 42.059 0.178 0.000 1.247 207 L HN 0.477 nan 8.230 nan 0.000 0.421 208 V N 1.656 121.402 119.914 -0.280 0.000 2.623 208 V HA 0.779 4.900 4.120 0.002 0.000 0.304 208 V C -0.162 175.725 176.094 -0.344 0.000 1.054 208 V CA -0.518 61.591 62.300 -0.319 0.000 0.882 208 V CB 2.085 33.739 31.823 -0.282 0.000 1.002 208 V HN 0.877 nan 8.190 nan 0.000 0.424 209 T N 1.862 116.109 114.554 -0.512 0.000 2.864 209 T HA 0.584 4.934 4.350 0.002 0.000 0.289 209 T C -2.365 172.179 174.700 -0.260 0.000 1.082 209 T CA -1.915 59.943 62.100 -0.403 0.000 1.009 209 T CB 2.220 70.738 68.868 -0.583 0.000 1.234 209 T HN 0.309 nan 8.240 nan 0.000 0.526 210 P HA 0.067 nan 4.420 nan 0.000 0.222 210 P C 0.498 177.796 177.300 -0.004 0.000 1.147 210 P CA 0.843 63.914 63.100 -0.049 0.000 0.790 210 P CB 0.087 31.778 31.700 -0.015 0.000 0.780 211 D N -1.989 118.414 120.400 0.005 0.000 2.407 211 D HA 0.160 4.801 4.640 0.002 0.000 0.208 211 D C 0.400 176.865 176.300 0.275 0.000 1.083 211 D CA 0.339 54.428 54.000 0.150 0.000 0.844 211 D CB 0.418 41.354 40.800 0.226 0.000 0.967 211 D HN 0.255 nan 8.370 nan 0.000 0.506 212 F N -0.422 119.585 119.950 0.096 0.000 2.770 212 F HA 0.542 5.070 4.527 0.002 0.000 0.313 212 F C -1.768 174.070 175.800 0.063 0.000 1.154 212 F CA -1.247 56.794 58.000 0.069 0.000 0.923 212 F CB 1.524 40.558 39.000 0.056 0.000 1.301 212 F HN -0.298 nan 8.300 nan 0.000 0.449 213 E N 2.162 122.590 120.200 0.381 0.000 2.308 213 E HA 0.741 5.092 4.350 0.002 0.000 0.275 213 E C -2.074 174.729 176.600 0.337 0.000 0.890 213 E CA -0.748 55.817 56.400 0.276 0.000 0.754 213 E CB 2.509 32.322 29.700 0.188 0.000 1.207 213 E HN 0.775 nan 8.360 nan 0.000 0.426 214 I N 3.835 124.605 120.570 0.334 0.000 2.607 214 I HA 0.366 4.537 4.170 0.002 0.000 0.290 214 I C -1.501 174.725 176.117 0.181 0.000 1.129 214 I CA -0.918 60.510 61.300 0.212 0.000 1.042 214 I CB 1.958 40.079 38.000 0.202 0.000 1.242 214 I HN 0.564 nan 8.210 nan 0.000 0.421 215 Y N 4.177 124.350 120.300 -0.212 0.000 2.499 215 Y HA 0.866 5.417 4.550 0.002 0.000 0.347 215 Y C 0.133 175.790 175.900 -0.405 0.000 0.987 215 Y CA 0.033 57.901 58.100 -0.388 0.000 1.044 215 Y CB 2.298 40.249 38.460 -0.848 0.000 1.245 215 Y HN 0.771 nan 8.280 nan 0.000 0.461 216 G N 1.559 110.062 108.800 -0.496 0.000 2.356 216 G HA2 0.477 4.438 3.960 0.002 0.000 0.288 216 G HA3 0.477 4.438 3.960 0.002 0.000 0.288 216 G C -2.119 172.408 174.900 -0.622 0.000 1.302 216 G CA -0.377 44.561 45.100 -0.270 0.000 0.887 216 G HN 1.021 nan 8.290 nan 0.000 0.521 217 A N -1.157 121.227 122.820 -0.726 0.000 2.330 217 A HA 0.998 5.318 4.320 0.002 0.000 0.329 217 A C 0.054 177.525 177.584 -0.189 0.000 1.135 217 A CA 0.201 51.774 52.037 -0.774 0.000 0.817 217 A CB 2.082 20.149 19.000 -1.554 0.000 1.269 217 A HN 1.889 nan 8.150 nan 0.000 0.469 218 T N -0.251 114.317 114.554 0.023 0.000 2.830 218 T HA 0.413 4.764 4.350 0.002 0.000 0.322 218 T C -1.355 173.539 174.700 0.322 0.000 1.501 218 T CA -0.466 61.773 62.100 0.232 0.000 1.036 218 T CB 1.168 70.085 68.868 0.082 0.000 1.379 218 T HN 0.713 nan 8.240 nan 0.000 0.493 219 Q N 2.035 122.000 119.800 0.274 0.000 2.337 219 Q HA 0.406 4.747 4.340 0.002 0.000 0.270 219 Q C 0.426 176.471 176.000 0.075 0.000 1.002 219 Q CA -0.086 55.790 55.803 0.122 0.000 0.888 219 Q CB 0.121 28.927 28.738 0.113 0.000 1.222 219 Q HN 0.634 nan 8.270 nan 0.000 0.400 220 I N -0.966 119.619 120.570 0.025 0.000 2.826 220 I HA 0.215 4.386 4.170 0.002 0.000 0.295 220 I C 1.095 177.188 176.117 -0.041 0.000 1.213 220 I CA 0.784 62.055 61.300 -0.048 0.000 1.436 220 I CB -0.104 37.831 38.000 -0.108 0.000 1.348 220 I HN 0.786 nan 8.210 nan 0.000 0.570 221 G N 4.896 113.654 108.800 -0.069 0.000 2.232 221 G HA2 -0.201 3.760 3.960 0.002 0.000 0.226 221 G HA3 -0.201 3.760 3.960 0.002 0.000 0.226 221 G C 0.073 174.953 174.900 -0.034 0.000 0.996 221 G CA -0.128 44.940 45.100 -0.054 0.000 0.626 221 G HN 0.626 nan 8.290 nan 0.000 0.509 222 L N 2.393 123.608 121.223 -0.014 0.000 2.290 222 L HA 0.354 4.695 4.340 0.002 0.000 0.284 222 L C -0.485 176.374 176.870 -0.018 0.000 1.078 222 L CA -1.467 53.367 54.840 -0.011 0.000 0.815 222 L CB 1.293 43.350 42.059 -0.004 0.000 1.162 222 L HN 0.031 nan 8.230 nan 0.000 0.435 223 P HA 0.043 nan 4.420 nan 0.000 0.245 223 P C -0.126 177.164 177.300 -0.017 0.000 1.212 223 P CA 0.383 63.460 63.100 -0.038 0.000 0.774 223 P CB 0.523 32.185 31.700 -0.064 0.000 0.999 224 V N 0.826 120.740 119.914 0.001 0.000 2.876 224 V HA 0.316 4.437 4.120 0.002 0.000 0.312 224 V C 0.308 176.401 176.094 -0.001 0.000 1.085 224 V CA -0.976 61.348 62.300 0.041 0.000 0.945 224 V CB 2.769 34.644 31.823 0.086 0.000 1.017 224 V HN -0.158 nan 8.190 nan 0.000 0.428 225 I N 4.088 124.674 120.570 0.027 0.000 2.347 225 I HA 0.299 4.470 4.170 0.002 0.000 0.294 225 I C 1.476 177.561 176.117 -0.053 0.000 1.090 225 I CA -0.052 61.243 61.300 -0.009 0.000 1.314 225 I CB 0.591 38.590 38.000 -0.001 0.000 1.423 225 I HN 0.651 nan 8.210 nan 0.000 0.503 226 R N 4.172 124.577 120.500 -0.158 0.000 2.090 226 R HA -0.000 4.341 4.340 0.002 0.000 0.228 226 R C -0.058 176.062 176.300 -0.300 0.000 1.110 226 R CA 1.215 57.069 56.100 -0.410 0.000 0.973 226 R CB 0.044 29.982 30.300 -0.603 0.000 0.869 226 R HN 0.366 nan 8.270 nan 0.000 0.440 227 F N 0.824 120.747 119.950 -0.046 0.000 2.329 227 F HA 0.413 4.941 4.527 0.001 0.000 0.362 227 F C 0.199 176.081 175.800 0.137 0.000 1.113 227 F CA -0.719 57.325 58.000 0.073 0.000 1.212 227 F CB 1.004 40.033 39.000 0.047 0.000 1.509 227 F HN -0.040 nan 8.300 nan 0.000 0.546 228 A N 3.167 126.151 122.820 0.273 0.000 2.386 228 A HA 0.974 5.295 4.320 0.002 0.000 0.308 228 A C -1.219 176.598 177.584 0.389 0.000 1.128 228 A CA -0.592 51.594 52.037 0.248 0.000 0.789 228 A CB 1.759 20.837 19.000 0.131 0.000 1.325 228 A HN 0.580 nan 8.150 nan 0.000 0.437 229 F N -0.375 119.729 119.950 0.257 0.000 2.719 229 F HA 0.737 5.265 4.527 0.001 0.000 0.309 229 F C -0.860 175.086 175.800 0.244 0.000 1.138 229 F CA -0.913 57.248 58.000 0.269 0.000 0.943 229 F CB 0.812 39.985 39.000 0.289 0.000 1.304 229 F HN 0.786 nan 8.300 nan 0.000 0.445 230 N N -0.596 118.372 118.700 0.447 0.000 3.633 230 N HA 0.252 4.993 4.740 0.002 0.000 0.344 230 N C -0.130 175.615 175.510 0.392 0.000 1.627 230 N CA -0.588 52.621 53.050 0.266 0.000 0.754 230 N CB 0.139 38.727 38.487 0.168 0.000 2.450 230 N HN 0.519 nan 8.380 nan 0.000 0.592 231 Q N -0.554 119.392 119.800 0.243 0.000 2.369 231 Q HA 0.098 4.439 4.340 0.002 0.000 0.206 231 Q C 0.172 176.318 176.000 0.244 0.000 0.963 231 Q CA 0.824 56.759 55.803 0.220 0.000 0.894 231 Q CB 0.193 29.011 28.738 0.134 0.000 0.965 231 Q HN 0.470 nan 8.270 nan 0.000 0.475 235 I N -2.173 118.509 120.570 0.187 0.000 3.264 235 I HA 0.974 5.145 4.170 0.002 0.000 0.315 235 I C -0.617 175.619 176.117 0.198 0.000 1.154 235 I CA -1.052 60.355 61.300 0.179 0.000 0.962 235 I CB 2.314 40.449 38.000 0.225 0.000 1.265 235 I HN 0.739 nan 8.210 nan 0.000 0.463 236 T N 0.554 115.192 114.554 0.141 0.000 2.792 236 T HA 0.492 4.843 4.350 0.002 0.000 0.303 236 T C -1.791 172.870 174.700 -0.065 0.000 1.310 236 T CA -0.720 61.436 62.100 0.093 0.000 1.007 236 T CB 1.754 70.789 68.868 0.279 0.000 1.335 236 T HN 0.838 nan 8.240 nan 0.000 0.504 237 N N 1.339 119.937 118.700 -0.169 0.000 2.235 237 N HA 0.592 5.333 4.740 0.002 0.000 0.293 237 N C -1.114 174.463 175.510 0.112 0.000 1.083 237 N CA -0.624 52.336 53.050 -0.151 0.000 0.801 237 N CB 2.398 40.515 38.487 -0.618 0.000 1.559 237 N HN 0.850 nan 8.380 nan 0.000 0.472 238 T N -2.879 111.762 114.554 0.145 0.000 2.887 238 T HA 0.466 4.817 4.350 0.002 0.000 0.292 238 T C -0.533 174.333 174.700 0.276 0.000 1.087 238 T CA -0.632 61.578 62.100 0.184 0.000 1.009 238 T CB 1.260 70.219 68.868 0.152 0.000 1.203 238 T HN 0.075 nan 8.240 nan 0.000 0.518 239 V N 2.723 122.789 119.914 0.253 0.000 2.461 239 V HA 0.324 4.445 4.120 0.002 0.000 0.275 239 V C 1.203 177.372 176.094 0.125 0.000 1.047 239 V CA -0.172 62.275 62.300 0.244 0.000 0.955 239 V CB 0.606 32.549 31.823 0.199 0.000 0.988 239 V HN 1.071 nan 8.190 nan 0.000 0.471 240 N N 4.109 122.822 118.700 0.022 0.000 2.184 240 N HA 0.307 5.048 4.740 0.002 0.000 0.206 240 N C 0.791 176.290 175.510 -0.018 0.000 1.151 240 N CA 0.178 53.210 53.050 -0.029 0.000 0.878 240 N CB 0.731 38.997 38.487 -0.369 0.000 1.014 240 N HN 0.813 nan 8.380 nan 0.000 0.512 244 G N 1.192 109.937 108.800 -0.091 0.000 3.088 244 G HA2 0.585 4.546 3.960 0.002 0.000 0.212 244 G HA3 0.585 4.546 3.960 0.002 0.000 0.212 244 G C 0.388 175.261 174.900 -0.045 0.000 1.173 244 G CA 0.808 45.836 45.100 -0.121 0.000 0.779 244 G HN 1.055 nan 8.290 nan 0.000 0.540 245 A N -0.935 121.896 122.820 0.019 0.000 2.566 245 A HA 0.845 5.166 4.320 0.002 0.000 0.292 245 A C -0.766 176.938 177.584 0.200 0.000 1.112 245 A CA -0.470 51.670 52.037 0.171 0.000 0.707 245 A CB 1.587 20.660 19.000 0.121 0.000 1.302 245 A HN 0.038 nan 8.150 nan 0.000 0.409 246 T N 1.928 116.678 114.554 0.326 0.000 2.881 246 T HA 0.443 4.794 4.350 0.002 0.000 0.290 246 T C -0.988 173.729 174.700 0.027 0.000 1.000 246 T CA -0.637 61.569 62.100 0.177 0.000 0.978 246 T CB 1.043 70.100 68.868 0.314 0.000 0.997 246 T HN 0.553 nan 8.240 nan 0.000 0.443 247 N N 2.520 121.149 118.700 -0.120 0.000 2.437 247 N HA 0.321 5.062 4.740 0.002 0.000 0.259 247 N C -1.300 174.085 175.510 -0.209 0.000 0.983 247 N CA -0.281 52.722 53.050 -0.079 0.000 0.937 247 N CB 1.111 39.554 38.487 -0.074 0.000 1.122 247 N HN 0.523 nan 8.380 nan 0.000 0.499 248 Y N 0.570 120.809 120.300 -0.102 0.000 2.342 248 Y HA 0.295 4.846 4.550 0.002 0.000 0.334 248 Y C 1.042 176.846 175.900 -0.160 0.000 1.067 248 Y CA -0.783 57.197 58.100 -0.200 0.000 1.128 248 Y CB 1.436 39.623 38.460 -0.455 0.000 1.200 248 Y HN 0.202 nan 8.280 nan 0.000 0.464 249 R N 4.536 125.046 120.500 0.017 0.000 2.234 249 R HA 0.413 4.754 4.340 0.002 0.000 0.324 249 R C -1.346 174.989 176.300 0.058 0.000 1.054 249 R CA -0.250 55.862 56.100 0.019 0.000 0.912 249 R CB 0.183 30.477 30.300 -0.010 0.000 1.030 249 R HN 0.781 nan 8.270 nan 0.000 0.455 250 L N 3.162 124.430 121.223 0.075 0.000 2.379 250 L HA 0.330 4.671 4.340 0.002 0.000 0.269 250 L C 0.184 177.146 176.870 0.153 0.000 1.084 250 L CA -0.587 54.330 54.840 0.129 0.000 0.802 250 L CB 1.966 44.112 42.059 0.146 0.000 1.175 250 L HN 0.629 nan 8.230 nan 0.000 0.448 251 T N 3.742 118.412 114.554 0.194 0.000 2.929 251 T HA 0.415 4.766 4.350 0.002 0.000 0.331 251 T C 0.148 174.955 174.700 0.179 0.000 1.120 251 T CA -0.477 61.717 62.100 0.158 0.000 0.973 251 T CB -0.031 68.920 68.868 0.139 0.000 1.036 251 T HN 0.256 nan 8.240 nan 0.000 0.502 252 L N 3.212 124.539 121.223 0.175 0.000 2.461 252 L HA 0.394 4.735 4.340 0.002 0.000 0.272 252 L C 0.448 177.390 176.870 0.120 0.000 1.197 252 L CA 0.008 54.961 54.840 0.188 0.000 0.836 252 L CB 0.345 42.518 42.059 0.190 0.000 1.105 252 L HN 0.618 nan 8.230 nan 0.000 0.477 253 Q N 2.654 122.512 119.800 0.097 0.000 2.507 253 Q HA 0.094 4.435 4.340 0.002 0.000 0.242 253 Q C -1.594 174.424 176.000 0.029 0.000 0.911 253 Q CA -0.610 55.224 55.803 0.052 0.000 1.019 253 Q CB 1.231 29.989 28.738 0.033 0.000 1.523 253 Q HN 0.708 nan 8.270 nan 0.000 0.459 254 D N 3.437 123.856 120.400 0.033 0.000 2.705 254 D HA -0.204 4.437 4.640 0.002 0.000 0.240 254 D C 0.788 177.107 176.300 0.032 0.000 1.137 254 D CA 1.996 56.009 54.000 0.022 0.000 0.677 254 D CB -1.271 39.527 40.800 -0.003 0.000 1.049 254 D HN 1.238 nan 8.370 nan 0.000 0.427 255 G N -1.375 107.468 108.800 0.072 0.000 2.228 255 G HA2 -0.267 3.694 3.960 0.002 0.000 0.270 255 G HA3 -0.267 3.694 3.960 0.002 0.000 0.270 255 G C 0.749 175.743 174.900 0.158 0.000 0.976 255 G CA 1.039 46.206 45.100 0.112 0.000 0.636 255 G HN 0.998 nan 8.290 nan 0.000 0.542 256 G N -0.931 107.898 108.800 0.048 0.000 3.211 256 G HA2 0.827 4.787 3.960 0.002 0.000 0.167 256 G HA3 0.827 4.787 3.960 0.002 0.000 0.167 256 G C -0.691 174.128 174.900 -0.135 0.000 1.212 256 G CA -0.286 44.725 45.100 -0.147 0.000 0.928 256 G HN 1.339 nan 8.290 nan 0.000 0.607 257 Y N -1.761 118.277 120.300 -0.436 0.000 2.470 257 Y HA 0.716 5.267 4.550 0.002 0.000 0.341 257 Y C -0.979 174.864 175.900 -0.095 0.000 1.021 257 Y CA -1.555 56.408 58.100 -0.229 0.000 1.025 257 Y CB 1.639 39.921 38.460 -0.297 0.000 1.266 257 Y HN 0.458 nan 8.280 nan 0.000 0.448 258 L N 4.776 126.024 121.223 0.042 0.000 2.418 258 L HA 0.325 4.666 4.340 0.002 0.000 0.274 258 L C -1.423 175.533 176.870 0.143 0.000 1.135 258 L CA 0.082 54.933 54.840 0.019 0.000 0.870 258 L CB -0.232 41.860 42.059 0.055 0.000 1.154 258 L HN 0.739 nan 8.230 nan 0.000 0.462 259 Y N 4.511 124.741 120.300 -0.115 0.000 2.354 259 Y HA 0.299 4.850 4.550 0.002 0.000 0.330 259 Y C -0.174 175.698 175.900 -0.047 0.000 1.011 259 Y CA -1.066 57.013 58.100 -0.036 0.000 1.099 259 Y CB 0.910 39.309 38.460 -0.102 0.000 1.179 259 Y HN 0.777 nan 8.280 nan 0.000 0.442 260 D N 4.659 124.832 120.400 -0.379 0.000 2.697 260 D HA -0.185 4.456 4.640 0.002 0.000 0.238 260 D C 1.241 177.468 176.300 -0.122 0.000 1.152 260 D CA 2.094 55.921 54.000 -0.288 0.000 0.666 260 D CB -1.041 39.549 40.800 -0.351 0.000 1.037 260 D HN 1.272 nan 8.370 nan 0.000 0.423 261 G N -1.117 107.638 108.800 -0.074 0.000 2.245 261 G HA2 -0.346 3.615 3.960 0.002 0.000 0.264 261 G HA3 -0.346 3.615 3.960 0.002 0.000 0.264 261 G C 0.232 175.108 174.900 -0.040 0.000 0.985 261 G CA 0.710 45.783 45.100 -0.044 0.000 0.625 261 G HN 0.456 nan 8.290 nan 0.000 0.536 262 Q N -0.372 119.399 119.800 -0.048 0.000 2.387 262 Q HA 0.620 4.961 4.340 0.002 0.000 0.273 262 Q C -0.112 175.829 176.000 -0.098 0.000 1.089 262 Q CA -0.790 54.978 55.803 -0.059 0.000 0.824 262 Q CB 2.327 31.032 28.738 -0.056 0.000 1.367 262 Q HN 0.236 nan 8.270 nan 0.000 0.443 263 V N 2.665 122.508 119.914 -0.120 0.000 2.387 263 V HA 0.195 4.316 4.120 0.002 0.000 0.260 263 V C 0.602 176.524 176.094 -0.288 0.000 1.054 263 V CA -0.043 62.143 62.300 -0.191 0.000 0.967 263 V CB 0.145 31.892 31.823 -0.127 0.000 1.036 263 V HN 0.393 nan 8.190 nan 0.000 0.481 264 R N 5.609 125.784 120.500 -0.541 0.000 2.404 264 R HA 0.424 4.765 4.340 0.002 0.000 0.291 264 R C -2.534 173.386 176.300 -0.633 0.000 1.025 264 R CA -1.677 54.040 56.100 -0.638 0.000 0.991 264 R CB 1.879 31.598 30.300 -0.969 0.000 1.053 264 R HN 0.409 nan 8.270 nan 0.000 0.479 265 P HA 0.208 nan 4.420 nan 0.000 0.279 265 P C -0.766 176.518 177.300 -0.027 0.000 1.252 265 P CA -0.297 62.710 63.100 -0.156 0.000 0.811 265 P CB 0.566 32.231 31.700 -0.057 0.000 1.035 266 F N -0.052 119.990 119.950 0.154 0.000 2.370 266 F HA 0.221 4.749 4.527 0.002 0.000 0.324 266 F C 1.399 177.229 175.800 0.049 0.000 1.116 266 F CA -0.249 57.840 58.000 0.147 0.000 1.123 266 F CB 0.738 39.786 39.000 0.081 0.000 1.238 266 F HN 0.168 nan 8.300 nan 0.000 0.536 267 E N 1.973 122.326 120.200 0.255 0.000 2.259 267 E HA 0.325 4.676 4.350 0.002 0.000 0.281 267 E C -0.845 175.797 176.600 0.071 0.000 1.027 267 E CA -0.540 55.925 56.400 0.108 0.000 0.838 267 E CB 1.017 30.750 29.700 0.054 0.000 1.066 267 E HN 0.419 nan 8.360 nan 0.000 0.401 268 R N 2.861 123.386 120.500 0.041 0.000 2.561 268 R HA 0.494 4.835 4.340 0.002 0.000 0.297 268 R C -0.447 175.846 176.300 -0.012 0.000 0.969 268 R CA -0.814 55.287 56.100 0.001 0.000 0.879 268 R CB 2.225 32.533 30.300 0.013 0.000 1.178 268 R HN 0.326 nan 8.270 nan 0.000 0.445 269 R N 2.003 122.485 120.500 -0.031 0.000 2.532 269 R HA 0.201 4.542 4.340 0.002 0.000 0.297 269 R C -1.138 175.143 176.300 -0.032 0.000 0.984 269 R CA -0.739 55.346 56.100 -0.026 0.000 0.884 269 R CB 1.528 31.812 30.300 -0.027 0.000 1.182 269 R HN 0.415 nan 8.270 nan 0.000 0.442 270 Q N 2.504 122.289 119.800 -0.025 0.000 2.406 270 Q HA 0.461 4.802 4.340 0.002 0.000 0.242 270 Q C -0.863 175.124 176.000 -0.022 0.000 1.036 270 Q CA -0.018 55.769 55.803 -0.028 0.000 0.904 270 Q CB 1.893 30.616 28.738 -0.026 0.000 1.244 270 Q HN 0.676 nan 8.270 nan 0.000 0.478 271 A N 1.845 124.655 122.820 -0.018 0.000 2.312 271 A HA 0.947 5.268 4.320 0.002 0.000 0.310 271 A C -0.580 176.999 177.584 -0.009 0.000 1.139 271 A CA -0.236 51.800 52.037 -0.002 0.000 0.886 271 A CB 1.322 20.333 19.000 0.019 0.000 1.350 271 A HN 0.738 nan 8.150 nan 0.000 0.479 272 S N -1.801 113.905 115.700 0.010 0.000 2.587 272 S HA 0.760 5.231 4.470 0.002 0.000 0.269 272 S C -1.150 173.474 174.600 0.039 0.000 1.154 272 S CA -0.386 57.779 58.200 -0.058 0.000 0.824 272 S CB 0.970 64.107 63.200 -0.105 0.000 1.118 272 S HN 1.978 nan 8.310 nan 0.000 0.462 273 Y N -1.412 118.879 120.300 -0.016 0.000 2.638 273 Y HA 0.897 5.447 4.550 0.002 0.000 0.335 273 Y C -1.094 174.799 175.900 -0.012 0.000 1.155 273 Y CA -1.335 56.757 58.100 -0.013 0.000 1.046 273 Y CB 0.602 39.055 38.460 -0.012 0.000 1.303 273 Y HN 0.675 nan 8.280 nan 0.000 0.460 274 R N 1.589 122.203 120.500 0.190 0.000 2.368 274 R HA 0.591 4.932 4.340 0.002 0.000 0.302 274 R C -1.554 174.861 176.300 0.192 0.000 1.002 274 R CA -0.915 55.246 56.100 0.102 0.000 0.929 274 R CB 1.246 31.581 30.300 0.059 0.000 1.073 274 R HN 0.769 nan 8.270 nan 0.000 0.464 275 L N 2.446 123.739 121.223 0.117 0.000 2.305 275 L HA 0.475 4.816 4.340 0.002 0.000 0.284 275 L C -0.165 176.741 176.870 0.060 0.000 1.013 275 L CA -0.390 54.526 54.840 0.126 0.000 0.819 275 L CB 1.140 43.276 42.059 0.129 0.000 1.227 275 L HN 0.524 nan 8.230 nan 0.000 0.417 276 R N 3.546 124.075 120.500 0.049 0.000 2.537 276 R HA 0.197 4.538 4.340 0.002 0.000 0.280 276 R C -0.615 175.697 176.300 0.020 0.000 1.058 276 R CA -0.284 55.832 56.100 0.026 0.000 1.057 276 R CB 0.524 30.835 30.300 0.018 0.000 0.973 276 R HN 0.616 nan 8.270 nan 0.000 0.438 277 Q N 2.050 121.857 119.800 0.012 0.000 2.205 277 Q HA 0.210 4.551 4.340 0.002 0.000 0.249 277 Q C 0.690 176.693 176.000 0.004 0.000 0.948 277 Q CA 0.037 55.845 55.803 0.008 0.000 0.895 277 Q CB 1.667 30.407 28.738 0.004 0.000 1.249 277 Q HN 0.807 nan 8.270 nan 0.000 0.458 278 A N 1.557 124.378 122.820 0.003 0.000 2.131 278 A HA -0.198 4.123 4.320 0.002 0.000 0.220 278 A C 0.948 178.532 177.584 -0.001 0.000 1.158 278 A CA 2.018 54.055 52.037 0.001 0.000 0.665 278 A CB -0.346 18.654 19.000 0.000 0.000 0.795 278 A HN 0.733 nan 8.150 nan 0.000 0.460 279 D N -3.355 117.045 120.400 -0.001 0.000 2.349 279 D HA 0.330 4.971 4.640 0.002 0.000 0.214 279 D C 1.148 177.447 176.300 -0.002 0.000 1.063 279 D CA 0.945 54.944 54.000 -0.002 0.000 0.847 279 D CB -0.221 40.577 40.800 -0.002 0.000 0.933 279 D HN 0.653 nan 8.370 nan 0.000 0.513 280 G N 0.108 108.907 108.800 -0.001 0.000 2.254 280 G HA2 -0.274 3.687 3.960 0.002 0.000 0.225 280 G HA3 -0.274 3.687 3.960 0.002 0.000 0.225 280 G C 0.562 175.463 174.900 0.000 0.000 1.003 280 G CA 0.259 45.358 45.100 -0.001 0.000 0.622 280 G HN 0.805 nan 8.290 nan 0.000 0.507 281 S N 0.157 115.857 115.700 0.000 0.000 2.641 281 S HA 0.684 5.155 4.470 0.002 0.000 0.261 281 S C 0.169 174.771 174.600 0.003 0.000 1.257 281 S CA 0.867 59.067 58.200 -0.000 0.000 0.983 281 S CB 1.589 64.787 63.200 -0.003 0.000 0.990 281 S HN 1.760 nan 8.310 nan 0.000 0.572 282 T N -1.659 112.896 114.554 0.002 0.000 2.879 282 T HA 0.592 4.943 4.350 0.002 0.000 0.290 282 T C -0.614 174.083 174.700 -0.004 0.000 0.993 282 T CA -0.794 61.310 62.100 0.006 0.000 0.975 282 T CB 0.835 69.710 68.868 0.013 0.000 0.981 282 T HN 0.530 nan 8.240 nan 0.000 0.439 283 V N 2.813 122.722 119.914 -0.008 0.000 2.644 283 V HA 0.364 4.485 4.120 0.002 0.000 0.295 283 V C 0.381 176.443 176.094 -0.053 0.000 1.053 283 V CA -0.656 61.628 62.300 -0.028 0.000 0.987 283 V CB 1.500 33.306 31.823 -0.028 0.000 1.006 283 V HN 0.973 nan 8.190 nan 0.000 0.472 284 D N 3.737 124.094 120.400 -0.072 0.000 2.295 284 D HA 0.272 4.913 4.640 0.002 0.000 0.248 284 D C -0.465 175.726 176.300 -0.181 0.000 1.154 284 D CA -0.226 53.706 54.000 -0.113 0.000 0.857 284 D CB 0.800 41.551 40.800 -0.083 0.000 1.117 284 D HN 0.462 nan 8.370 nan 0.000 0.468 285 K N 4.484 124.681 120.400 -0.339 0.000 2.292 285 K HA 0.419 4.740 4.320 0.002 0.000 0.257 285 K C -2.493 173.814 176.600 -0.487 0.000 0.940 285 K CA -1.802 54.223 56.287 -0.438 0.000 0.811 285 K CB 2.219 34.363 32.500 -0.594 0.000 1.120 285 K HN 0.181 nan 8.250 nan 0.000 0.428 286 P HA 0.107 nan 4.420 nan 0.000 0.275 286 P C -1.279 175.931 177.300 -0.150 0.000 1.227 286 P CA -0.507 62.486 63.100 -0.180 0.000 0.781 286 P CB 0.534 32.169 31.700 -0.109 0.000 0.906 287 L N 2.206 123.385 121.223 -0.074 0.000 2.491 287 L HA 0.381 4.721 4.340 0.002 0.000 0.267 287 L C -0.514 176.349 176.870 -0.013 0.000 0.971 287 L CA -0.525 54.325 54.840 0.017 0.000 0.857 287 L CB 1.428 43.591 42.059 0.173 0.000 1.226 287 L HN 0.253 nan 8.230 nan 0.000 0.408 288 E N 4.965 125.141 120.200 -0.040 0.000 2.249 288 E HA 0.464 4.815 4.350 0.002 0.000 0.280 288 E C -1.092 175.444 176.600 -0.107 0.000 1.016 288 E CA -0.490 55.869 56.400 -0.067 0.000 0.830 288 E CB 0.995 30.649 29.700 -0.076 0.000 1.081 288 E HN 0.684 nan 8.360 nan 0.000 0.395 289 I N 5.482 125.986 120.570 -0.111 0.000 2.405 289 I HA 0.320 4.491 4.170 0.002 0.000 0.280 289 I C -0.016 175.998 176.117 -0.171 0.000 1.027 289 I CA -0.553 60.652 61.300 -0.159 0.000 1.161 289 I CB 1.052 38.983 38.000 -0.115 0.000 1.300 289 I HN 0.357 nan 8.210 nan 0.000 0.463 290 R N 3.990 124.335 120.500 -0.259 0.000 2.428 290 R HA 0.675 5.016 4.340 0.002 0.000 0.294 290 R C -0.625 175.524 176.300 -0.252 0.000 1.000 290 R CA -0.463 55.465 56.100 -0.286 0.000 0.960 290 R CB 1.867 31.833 30.300 -0.557 0.000 1.076 290 R HN 0.478 nan 8.270 nan 0.000 0.475 291 S N 0.517 116.162 115.700 -0.092 0.000 2.549 291 S HA 0.389 4.860 4.470 0.002 0.000 0.280 291 S C -0.553 174.113 174.600 0.109 0.000 1.109 291 S CA -0.910 57.271 58.200 -0.032 0.000 0.905 291 S CB 2.018 65.198 63.200 -0.033 0.000 1.081 291 S HN 0.708 nan 8.310 nan 0.000 0.477 292 S N 0.292 115.999 115.700 0.013 0.000 2.768 292 S HA 0.521 4.992 4.470 0.002 0.000 0.300 292 S C 1.089 175.596 174.600 -0.156 0.000 1.122 292 S CA -0.513 57.601 58.200 -0.142 0.000 0.995 292 S CB 0.805 63.740 63.200 -0.442 0.000 1.195 292 S HN 0.558 nan 8.310 nan 0.000 0.547 293 V N 1.164 120.902 119.914 -0.292 0.000 2.688 293 V HA -0.166 3.955 4.120 0.002 0.000 0.256 293 V C 2.143 177.984 176.094 -0.423 0.000 1.084 293 V CA 1.920 63.988 62.300 -0.387 0.000 1.103 293 V CB -1.364 30.094 31.823 -0.608 0.000 0.688 293 V HN 0.868 nan 8.190 nan 0.000 0.480 294 H N 0.349 119.220 119.070 -0.331 0.000 2.284 294 H HA 0.332 4.889 4.556 0.002 0.000 0.304 294 H C 1.151 176.365 175.328 -0.191 0.000 1.069 294 H CA 1.271 57.103 56.048 -0.359 0.000 1.327 294 H CB -0.011 29.470 29.762 -0.469 0.000 1.387 294 H HN 0.591 nan 8.280 nan 0.000 0.498 295 G N -0.369 108.444 108.800 0.021 0.000 2.344 295 G HA2 0.122 4.083 3.960 0.002 0.000 0.282 295 G HA3 0.122 4.083 3.960 0.002 0.000 0.282 295 G C -2.961 171.949 174.900 0.017 0.000 1.281 295 G CA -1.072 44.043 45.100 0.024 0.000 0.877 295 G HN -0.098 nan 8.290 nan 0.000 0.494 296 P HA 0.380 nan 4.420 nan 0.000 0.267 296 P C -0.308 176.934 177.300 -0.096 0.000 1.200 296 P CA -0.133 62.919 63.100 -0.080 0.000 0.772 296 P CB 1.048 32.726 31.700 -0.037 0.000 0.855 297 V N 4.218 123.942 119.914 -0.316 0.000 2.513 297 V HA 0.481 4.602 4.120 0.002 0.000 0.299 297 V C -0.229 175.589 176.094 -0.459 0.000 1.035 297 V CA -0.167 61.980 62.300 -0.254 0.000 0.889 297 V CB 0.699 32.324 31.823 -0.330 0.000 0.988 297 V HN 0.358 nan 8.190 nan 0.000 0.440 298 F N 1.571 121.471 119.950 -0.082 0.000 2.577 298 F HA 0.552 5.080 4.527 0.002 0.000 0.318 298 F C 0.160 175.926 175.800 -0.057 0.000 1.065 298 F CA -0.844 57.117 58.000 -0.065 0.000 0.929 298 F CB 1.867 40.842 39.000 -0.042 0.000 1.237 298 F HN 0.443 nan 8.300 nan 0.000 0.468 299 E N 2.707 122.988 120.200 0.134 0.000 2.114 299 E HA 0.364 4.715 4.350 0.002 0.000 0.266 299 E C -0.520 176.123 176.600 0.072 0.000 0.896 299 E CA -0.653 55.788 56.400 0.069 0.000 0.750 299 E CB 0.883 30.597 29.700 0.023 0.000 1.121 299 E HN 0.576 nan 8.360 nan 0.000 0.413 300 R N 1.947 122.479 120.500 0.053 0.000 2.774 300 R HA 0.122 4.463 4.340 0.002 0.000 0.269 300 R C 1.218 177.532 176.300 0.022 0.000 1.068 300 R CA 0.522 56.640 56.100 0.029 0.000 1.180 300 R CB 0.456 30.764 30.300 0.012 0.000 1.077 300 R HN 0.701 nan 8.270 nan 0.000 0.513 301 A N 1.656 124.484 122.820 0.013 0.000 1.978 301 A HA -0.232 4.089 4.320 0.002 0.000 0.220 301 A C 1.403 178.993 177.584 0.009 0.000 1.170 301 A CA 2.153 54.196 52.037 0.010 0.000 0.636 301 A CB -0.604 18.399 19.000 0.004 0.000 0.810 301 A HN 0.887 nan 8.150 nan 0.000 0.448 302 D N -2.704 117.701 120.400 0.008 0.000 2.363 302 D HA 0.284 4.925 4.640 0.002 0.000 0.220 302 D C 1.187 177.495 176.300 0.013 0.000 0.994 302 D CA 1.125 55.130 54.000 0.008 0.000 0.890 302 D CB -0.375 40.427 40.800 0.004 0.000 0.906 302 D HN 0.817 nan 8.370 nan 0.000 0.530 303 G N -1.039 107.771 108.800 0.017 0.000 2.179 303 G HA2 -0.230 3.731 3.960 0.002 0.000 0.220 303 G HA3 -0.230 3.731 3.960 0.002 0.000 0.220 303 G C 0.309 175.226 174.900 0.028 0.000 0.990 303 G CA 0.074 45.187 45.100 0.022 0.000 0.646 303 G HN 0.409 nan 8.290 nan 0.000 0.517 304 T N 1.879 116.448 114.554 0.026 0.000 2.834 304 T HA 0.550 4.901 4.350 0.002 0.000 0.298 304 T C 0.649 175.374 174.700 0.041 0.000 0.966 304 T CA 0.683 62.801 62.100 0.030 0.000 1.141 304 T CB 1.502 70.380 68.868 0.018 0.000 0.905 304 T HN 1.308 nan 8.240 nan 0.000 0.535 305 A N 4.203 127.054 122.820 0.053 0.000 2.302 305 A HA 0.567 4.888 4.320 0.002 0.000 0.295 305 A C -0.040 177.581 177.584 0.063 0.000 1.235 305 A CA -0.545 51.527 52.037 0.058 0.000 0.876 305 A CB 0.102 19.152 19.000 0.082 0.000 1.133 305 A HN 0.694 nan 8.150 nan 0.000 0.533 306 V N 1.865 121.826 119.914 0.078 0.000 2.555 306 V HA 0.730 4.851 4.120 0.002 0.000 0.302 306 V C 0.398 176.573 176.094 0.134 0.000 1.038 306 V CA -0.382 61.971 62.300 0.088 0.000 0.887 306 V CB 1.649 33.516 31.823 0.074 0.000 0.991 306 V HN 1.110 nan 8.190 nan 0.000 0.434 307 A N 3.592 126.477 122.820 0.109 0.000 2.318 307 A HA 0.785 5.106 4.320 0.002 0.000 0.317 307 A C -0.793 176.921 177.584 0.216 0.000 1.159 307 A CA -0.605 51.510 52.037 0.129 0.000 0.799 307 A CB 1.645 20.654 19.000 0.014 0.000 1.194 307 A HN 0.905 nan 8.150 nan 0.000 0.479 308 V N 3.785 123.849 119.914 0.250 0.000 2.398 308 V HA 0.594 4.715 4.120 0.002 0.000 0.286 308 V C 0.073 176.310 176.094 0.239 0.000 1.026 308 V CA -0.682 61.759 62.300 0.234 0.000 0.868 308 V CB 1.210 33.134 31.823 0.168 0.000 0.982 308 V HN 0.897 nan 8.190 nan 0.000 0.443 309 R N 5.473 126.154 120.500 0.302 0.000 2.288 309 R HA 0.630 4.971 4.340 0.002 0.000 0.326 309 R C -1.655 174.856 176.300 0.351 0.000 0.959 309 R CA -0.464 55.788 56.100 0.254 0.000 0.834 309 R CB 1.575 32.009 30.300 0.223 0.000 1.157 309 R HN 0.608 nan 8.270 nan 0.000 0.470 310 V N 4.302 124.373 119.914 0.263 0.000 2.370 310 V HA 0.445 4.566 4.120 0.002 0.000 0.279 310 V C 0.517 176.809 176.094 0.331 0.000 1.029 310 V CA -0.780 61.683 62.300 0.272 0.000 0.870 310 V CB 1.205 33.118 31.823 0.151 0.000 0.984 310 V HN 0.925 nan 8.190 nan 0.000 0.451 311 A N 3.613 126.677 122.820 0.405 0.000 2.332 311 A HA 0.620 4.941 4.320 0.002 0.000 0.258 311 A C 1.407 179.083 177.584 0.153 0.000 1.087 311 A CA 0.431 52.673 52.037 0.342 0.000 0.802 311 A CB 0.038 19.094 19.000 0.095 0.000 1.042 311 A HN 2.183 nan 8.150 nan 0.000 0.489 312 G N -0.070 108.808 108.800 0.129 0.000 2.153 312 G HA2 -0.218 3.743 3.960 0.002 0.000 0.252 312 G HA3 -0.218 3.743 3.960 0.002 0.000 0.252 312 G C 0.530 175.467 174.900 0.062 0.000 0.994 312 G CA 0.496 45.639 45.100 0.070 0.000 0.698 312 G HN 0.782 nan 8.290 nan 0.000 0.521 313 L N 0.511 121.780 121.223 0.076 0.000 2.456 313 L HA 0.088 4.429 4.340 0.002 0.000 0.224 313 L C 1.900 178.795 176.870 0.042 0.000 1.148 313 L CA 1.359 56.232 54.840 0.056 0.000 0.825 313 L CB -0.111 41.983 42.059 0.059 0.000 0.937 313 L HN 0.468 nan 8.230 nan 0.000 0.450 314 D N -1.120 119.305 120.400 0.043 0.000 2.463 314 D HA -0.006 4.635 4.640 0.002 0.000 0.224 314 D C 0.351 176.667 176.300 0.026 0.000 1.174 314 D CA -0.198 53.821 54.000 0.031 0.000 0.829 314 D CB 0.215 41.033 40.800 0.031 0.000 0.993 314 D HN 0.007 nan 8.370 nan 0.000 0.497 315 R N 1.894 122.410 120.500 0.026 0.000 2.423 315 R HA 0.268 4.609 4.340 0.002 0.000 0.293 315 R C -1.784 174.529 176.300 0.023 0.000 1.196 315 R CA -1.447 54.665 56.100 0.020 0.000 1.262 315 R CB 0.847 31.157 30.300 0.017 0.000 1.116 315 R HN 0.124 nan 8.270 nan 0.000 0.566 316 P HA 0.036 nan 4.420 nan 0.000 0.245 316 P C 0.579 177.894 177.300 0.025 0.000 1.206 316 P CA 0.293 63.406 63.100 0.022 0.000 0.781 316 P CB 0.680 32.390 31.700 0.017 0.000 0.994 320 E N 0.979 121.249 120.200 0.117 0.000 2.208 320 E HA -0.210 4.141 4.350 0.002 0.000 0.193 320 E C 1.822 178.517 176.600 0.158 0.000 0.988 320 E CA 1.318 57.806 56.400 0.146 0.000 0.828 320 E CB 0.305 30.056 29.700 0.086 0.000 0.763 320 E HN 0.417 nan 8.360 nan 0.000 0.478 321 Q N -0.562 119.291 119.800 0.090 0.000 2.046 321 Q HA -0.203 4.138 4.340 0.002 0.000 0.200 321 Q C 1.664 177.660 176.000 -0.006 0.000 0.975 321 Q CA 1.506 57.305 55.803 -0.007 0.000 0.836 321 Q CB -0.162 28.524 28.738 -0.087 0.000 0.896 321 Q HN 0.442 nan 8.270 nan 0.000 0.428 322 Y N -0.632 119.692 120.300 0.040 0.000 2.165 322 Y HA -0.270 4.281 4.550 0.001 0.000 0.286 322 Y C 2.023 177.961 175.900 0.063 0.000 1.155 322 Y CA 1.502 59.628 58.100 0.043 0.000 1.164 322 Y CB -0.176 38.314 38.460 0.050 0.000 0.978 322 Y HN 0.268 nan 8.280 nan 0.000 0.513 323 F N 0.862 120.877 119.950 0.108 0.000 2.134 323 F HA -0.152 4.376 4.527 0.002 0.000 0.299 323 F C 1.242 177.019 175.800 -0.038 0.000 1.097 323 F CA 1.034 59.031 58.000 -0.005 0.000 1.264 323 F CB -0.481 38.489 39.000 -0.051 0.000 1.001 323 F HN -0.080 nan 8.300 nan 0.000 0.479 327 T N -0.425 114.001 114.554 -0.214 0.000 3.085 327 T HA 0.670 5.021 4.350 0.002 0.000 0.264 327 T C 0.895 175.528 174.700 -0.113 0.000 1.019 327 T CA 0.453 62.394 62.100 -0.265 0.000 0.910 327 T CB 0.237 68.746 68.868 -0.600 0.000 1.059 327 T HN 0.479 nan 8.240 nan 0.000 0.542 328 A N 1.262 124.077 122.820 -0.008 0.000 2.531 328 A HA 0.261 4.582 4.320 0.002 0.000 0.236 328 A C 0.671 178.293 177.584 0.062 0.000 1.062 328 A CA 0.120 52.214 52.037 0.095 0.000 0.760 328 A CB -0.077 19.032 19.000 0.182 0.000 0.995 328 A HN 0.600 nan 8.150 nan 0.000 0.501 329 H N 0.068 119.176 119.070 0.064 0.000 2.551 329 H HA 0.285 4.841 4.556 0.001 0.000 0.271 329 H C 0.446 175.826 175.328 0.087 0.000 0.984 329 H CA 1.032 57.121 56.048 0.070 0.000 1.164 329 H CB 0.267 30.061 29.762 0.055 0.000 1.437 329 H HN 0.793 nan 8.280 nan 0.000 0.550 330 S N -2.229 113.589 115.700 0.197 0.000 2.595 330 S HA 0.051 4.522 4.470 0.002 0.000 0.270 330 S C 0.250 174.972 174.600 0.204 0.000 1.145 330 S CA -0.910 57.404 58.200 0.190 0.000 0.825 330 S CB 0.184 63.475 63.200 0.151 0.000 1.107 330 S HN -0.010 nan 8.310 nan 0.000 0.461 331 F N 1.834 121.813 119.950 0.049 0.000 2.126 331 F HA -0.030 4.498 4.527 0.001 0.000 0.299 331 F C 1.760 177.543 175.800 -0.028 0.000 1.096 331 F CA 2.178 60.111 58.000 -0.112 0.000 1.255 331 F CB -0.528 38.394 39.000 -0.129 0.000 0.997 331 F HN 0.717 nan 8.300 nan 0.000 0.479 332 D N 0.469 120.849 120.400 -0.033 0.000 2.106 332 D HA -0.207 4.434 4.640 0.002 0.000 0.191 332 D C 1.887 178.099 176.300 -0.148 0.000 0.997 332 D CA 1.809 55.737 54.000 -0.120 0.000 0.834 332 D CB -0.552 40.246 40.800 -0.005 0.000 0.956 332 D HN 0.353 nan 8.370 nan 0.000 0.448 333 D N -0.279 120.091 120.400 -0.050 0.000 2.117 333 D HA -0.170 4.471 4.640 0.002 0.000 0.197 333 D C 2.006 178.253 176.300 -0.090 0.000 0.987 333 D CA 0.578 54.554 54.000 -0.041 0.000 0.829 333 D CB -0.558 40.265 40.800 0.037 0.000 0.961 333 D HN 0.298 nan 8.370 nan 0.000 0.460 334 Y N 2.177 122.340 120.300 -0.230 0.000 2.053 334 Y HA -0.246 4.305 4.550 0.002 0.000 0.277 334 Y C 2.171 177.836 175.900 -0.393 0.000 1.159 334 Y CA 1.905 59.829 58.100 -0.294 0.000 1.125 334 Y CB -0.230 37.988 38.460 -0.404 0.000 0.969 334 Y HN -0.052 nan 8.280 nan 0.000 0.492 335 E N -0.007 119.823 120.200 -0.616 0.000 2.085 335 E HA -0.249 4.102 4.350 0.002 0.000 0.194 335 E C 2.383 178.733 176.600 -0.417 0.000 0.994 335 E CA 0.987 57.008 56.400 -0.631 0.000 0.801 335 E CB -0.418 28.905 29.700 -0.629 0.000 0.743 335 E HN 0.610 nan 8.360 nan 0.000 0.453 336 A N 1.885 124.523 122.820 -0.303 0.000 1.917 336 A HA -0.086 4.235 4.320 0.002 0.000 0.219 336 A C 1.643 179.103 177.584 -0.207 0.000 1.182 336 A CA 1.376 53.292 52.037 -0.201 0.000 0.633 336 A CB -0.589 18.329 19.000 -0.137 0.000 0.819 336 A HN 0.290 nan 8.150 nan 0.000 0.448 343 V N 5.488 125.377 119.914 -0.042 0.000 2.334 343 V HA 0.176 4.297 4.120 0.002 0.000 0.267 343 V C -1.256 174.825 176.094 -0.021 0.000 1.040 343 V CA -0.886 61.419 62.300 0.008 0.000 0.866 343 V CB 1.294 33.073 31.823 -0.074 0.000 1.019 343 V HN 0.032 nan 8.190 nan 0.000 0.468 344 P HA -0.040 nan 4.420 nan 0.000 0.228 344 P C 0.578 177.771 177.300 -0.178 0.000 1.151 344 P CA 1.072 64.122 63.100 -0.083 0.000 0.770 344 P CB 0.703 32.366 31.700 -0.061 0.000 0.786 345 T N -2.406 111.997 114.554 -0.251 0.000 2.653 345 T HA 0.540 4.891 4.350 0.002 0.000 0.306 345 T C -1.773 172.708 174.700 -0.365 0.000 1.426 345 T CA -0.466 61.367 62.100 -0.446 0.000 1.008 345 T CB 0.165 68.621 68.868 -0.686 0.000 1.692 345 T HN -0.066 nan 8.240 nan 0.000 0.483 346 F N -0.078 119.772 119.950 -0.167 0.000 2.183 346 F HA -0.072 4.456 4.527 0.002 0.000 0.319 346 F C -0.015 175.652 175.800 -0.221 0.000 1.295 346 F CA -0.840 57.080 58.000 -0.132 0.000 0.914 346 F CB -0.227 38.759 39.000 -0.024 0.000 4.132 346 F HN 0.515 nan 8.300 nan 0.000 0.141 347 N N 2.433 121.196 118.700 0.104 0.000 2.479 347 N HA 0.739 5.480 4.740 0.002 0.000 0.285 347 N C -0.835 174.716 175.510 0.069 0.000 1.075 347 N CA -0.314 52.751 53.050 0.024 0.000 0.967 347 N CB 1.545 40.169 38.487 0.229 0.000 1.137 347 N HN 0.445 nan 8.380 nan 0.000 0.472 348 I N 1.540 122.102 120.570 -0.015 0.000 2.498 348 I HA 0.338 4.509 4.170 0.002 0.000 0.290 348 I C -0.491 175.710 176.117 0.141 0.000 1.032 348 I CA -0.957 60.384 61.300 0.068 0.000 1.073 348 I CB 2.170 40.204 38.000 0.057 0.000 1.251 348 I HN -0.049 nan 8.210 nan 0.000 0.426 349 V N 6.013 126.061 119.914 0.224 0.000 2.513 349 V HA 0.423 4.544 4.120 0.002 0.000 0.299 349 V C -1.049 175.218 176.094 0.288 0.000 1.035 349 V CA -0.713 61.762 62.300 0.292 0.000 0.889 349 V CB 1.970 33.985 31.823 0.320 0.000 0.988 349 V HN 0.587 nan 8.190 nan 0.000 0.440 350 Y N 3.059 123.423 120.300 0.106 0.000 2.570 350 Y HA 0.864 5.415 4.550 0.002 0.000 0.345 350 Y C -0.272 175.585 175.900 -0.071 0.000 1.014 350 Y CA -0.466 57.604 58.100 -0.051 0.000 1.063 350 Y CB 2.088 40.410 38.460 -0.230 0.000 1.272 350 Y HN 0.828 nan 8.280 nan 0.000 0.477 351 A N 3.657 125.982 122.820 -0.826 0.000 2.582 351 A HA 0.554 4.875 4.320 0.002 0.000 0.297 351 A C -2.100 174.709 177.584 -1.292 0.000 1.059 351 A CA -0.422 51.206 52.037 -0.681 0.000 0.705 351 A CB 1.166 20.034 19.000 -0.220 0.000 1.279 351 A HN 0.833 nan 8.150 nan 0.000 0.404 352 D N -0.365 119.449 120.400 -0.976 0.000 2.636 352 D HA 0.450 5.091 4.640 0.002 0.000 0.275 352 D C 0.783 176.730 176.300 -0.588 0.000 1.130 352 D CA -0.501 52.894 54.000 -1.008 0.000 1.031 352 D CB 0.661 41.153 40.800 -0.514 0.000 1.451 352 D HN 0.506 nan 8.370 nan 0.000 0.505 353 R N -0.536 119.752 120.500 -0.355 0.000 2.280 353 R HA 0.042 4.383 4.340 0.002 0.000 0.207 353 R C 0.352 176.626 176.300 -0.043 0.000 1.043 353 R CA 0.889 56.954 56.100 -0.058 0.000 1.006 353 R CB -0.286 30.042 30.300 0.047 0.000 0.885 353 R HN 0.312 nan 8.270 nan 0.000 0.467 354 E N 0.404 120.562 120.200 -0.070 0.000 2.371 354 E HA 0.082 4.432 4.350 0.002 0.000 0.194 354 E C 1.007 177.584 176.600 -0.037 0.000 1.012 354 E CA 1.131 57.516 56.400 -0.026 0.000 0.860 354 E CB 0.505 30.209 29.700 0.006 0.000 0.811 354 E HN 0.635 nan 8.360 nan 0.000 0.502 355 G N -0.202 108.555 108.800 -0.071 0.000 2.168 355 G HA2 -0.202 3.758 3.960 0.002 0.000 0.197 355 G HA3 -0.202 3.758 3.960 0.002 0.000 0.197 355 G C 0.354 175.202 174.900 -0.086 0.000 0.997 355 G CA 0.084 45.145 45.100 -0.066 0.000 0.658 355 G HN 0.204 nan 8.290 nan 0.000 0.513 356 T N 1.595 116.087 114.554 -0.104 0.000 2.845 356 T HA 0.647 4.998 4.350 0.002 0.000 0.288 356 T C 0.487 175.117 174.700 -0.116 0.000 0.980 356 T CA 0.343 62.351 62.100 -0.153 0.000 1.071 356 T CB 1.405 70.123 68.868 -0.250 0.000 0.941 356 T HN 0.959 nan 8.240 nan 0.000 0.487 357 I N 0.802 121.302 120.570 -0.118 0.000 2.689 357 I HA 0.856 5.027 4.170 0.002 0.000 0.299 357 I C -0.871 175.241 176.117 -0.008 0.000 1.059 357 I CA -1.032 60.264 61.300 -0.007 0.000 1.055 357 I CB 2.492 40.506 38.000 0.023 0.000 1.243 357 I HN 0.545 nan 8.210 nan 0.000 0.425 358 N N 2.743 121.532 118.700 0.148 0.000 2.405 358 N HA 0.488 5.229 4.740 0.002 0.000 0.274 358 N C -2.138 173.561 175.510 0.315 0.000 1.170 358 N CA -0.539 52.630 53.050 0.198 0.000 0.848 358 N CB 2.116 40.749 38.487 0.243 0.000 1.629 358 N HN 0.740 nan 8.380 nan 0.000 0.481 359 Y N 1.453 121.874 120.300 0.201 0.000 2.409 359 Y HA 0.737 5.288 4.550 0.001 0.000 0.343 359 Y C -1.501 174.528 175.900 0.216 0.000 0.973 359 Y CA -0.458 57.767 58.100 0.208 0.000 1.064 359 Y CB 1.880 40.449 38.460 0.180 0.000 1.207 359 Y HN 0.478 nan 8.280 nan 0.000 0.452 360 S N 6.598 121.826 115.700 -0.788 0.000 2.677 360 S HA 0.271 4.742 4.470 0.002 0.000 0.283 360 S C -1.526 172.673 174.600 -0.667 0.000 1.159 360 S CA -0.608 57.251 58.200 -0.568 0.000 1.001 360 S CB 0.570 63.665 63.200 -0.175 0.000 1.032 360 S HN 0.634 nan 8.310 nan 0.000 0.487 361 F N 5.426 125.017 119.950 -0.598 0.000 2.566 361 F HA 0.264 4.792 4.527 0.001 0.000 0.349 361 F C 0.639 176.320 175.800 -0.199 0.000 1.245 361 F CA -0.272 57.547 58.000 -0.303 0.000 1.169 361 F CB -0.204 38.689 39.000 -0.178 0.000 1.470 361 F HN 0.559 nan 8.300 nan 0.000 0.634 362 N N 3.233 121.736 118.700 -0.328 0.000 2.463 362 N HA 0.658 5.399 4.740 0.002 0.000 0.270 362 N C -0.117 175.216 175.510 -0.295 0.000 1.205 362 N CA 0.646 53.554 53.050 -0.236 0.000 0.974 362 N CB 1.516 39.901 38.487 -0.170 0.000 1.197 362 N HN 0.761 nan 8.380 nan 0.000 0.504 363 G N -0.311 108.382 108.800 -0.180 0.000 2.347 363 G HA2 0.023 3.984 3.960 0.002 0.000 0.321 363 G HA3 0.023 3.984 3.960 0.002 0.000 0.321 363 G C -1.750 173.094 174.900 -0.093 0.000 1.412 363 G CA -0.751 44.248 45.100 -0.169 0.000 0.990 363 G HN 0.422 nan 8.290 nan 0.000 0.637 364 V N 1.138 121.001 119.914 -0.085 0.000 2.318 364 V HA 0.646 4.767 4.120 0.002 0.000 0.271 364 V C 0.799 176.847 176.094 -0.077 0.000 1.030 364 V CA 0.200 62.468 62.300 -0.054 0.000 0.844 364 V CB 0.703 32.501 31.823 -0.042 0.000 1.015 364 V HN 1.642 nan 8.190 nan 0.000 0.460 365 A N 7.893 130.697 122.820 -0.026 0.000 2.271 365 A HA 0.819 5.140 4.320 0.002 0.000 0.317 365 A C -2.700 174.814 177.584 -0.116 0.000 1.245 365 A CA -1.861 50.148 52.037 -0.047 0.000 0.857 365 A CB 0.855 19.918 19.000 0.105 0.000 1.175 365 A HN 0.586 nan 8.150 nan 0.000 0.512 366 P HA 0.083 nan 4.420 nan 0.000 0.268 366 P C -0.509 176.456 177.300 -0.558 0.000 1.204 366 P CA 0.175 62.813 63.100 -0.769 0.000 0.768 366 P CB 0.470 31.015 31.700 -1.924 0.000 0.842 367 K N 4.315 124.487 120.400 -0.380 0.000 2.339 367 K HA 0.262 4.583 4.320 0.002 0.000 0.286 367 K C 0.283 176.737 176.600 -0.242 0.000 1.050 367 K CA 0.051 56.144 56.287 -0.324 0.000 0.956 367 K CB 0.599 32.901 32.500 -0.330 0.000 0.990 367 K HN 0.394 nan 8.250 nan 0.000 0.475 368 R N 0.829 121.185 120.500 -0.240 0.000 2.807 368 R HA 0.359 4.700 4.340 0.002 0.000 0.276 368 R C 0.020 176.450 176.300 0.217 0.000 0.979 368 R CA -0.505 55.498 56.100 -0.161 0.000 0.928 368 R CB 1.672 31.512 30.300 -0.766 0.000 1.191 368 R HN 0.654 nan 8.270 nan 0.000 0.471 369 A N 1.179 124.158 122.820 0.264 0.000 2.303 369 A HA 0.097 4.418 4.320 0.002 0.000 0.217 369 A C 0.009 177.766 177.584 0.288 0.000 1.205 369 A CA 0.480 52.668 52.037 0.252 0.000 0.875 369 A CB -0.063 19.043 19.000 0.176 0.000 0.910 369 A HN 0.769 nan 8.150 nan 0.000 0.501 370 E N -2.918 117.529 120.200 0.412 0.000 2.429 370 E HA 0.505 4.856 4.350 0.002 0.000 0.280 370 E C -0.179 176.761 176.600 0.566 0.000 1.068 370 E CA -0.781 55.838 56.400 0.365 0.000 0.837 370 E CB 0.643 30.467 29.700 0.207 0.000 1.357 370 E HN 1.345 nan 8.360 nan 0.000 0.455 371 G N 1.681 110.667 108.800 0.310 0.000 2.879 371 G HA2 0.025 3.986 3.960 0.002 0.000 0.686 371 G HA3 0.025 3.986 3.960 0.002 0.000 0.686 371 G C -0.816 174.456 174.900 0.619 0.000 1.115 371 G CA -0.197 45.082 45.100 0.297 0.000 0.770 371 G HN 0.950 nan 8.290 nan 0.000 0.601 372 D N 0.913 121.581 120.400 0.447 0.000 2.423 372 D HA 0.503 5.144 4.640 0.002 0.000 0.255 372 D C 1.886 178.527 176.300 0.567 0.000 1.174 372 D CA -0.475 53.785 54.000 0.433 0.000 1.008 372 D CB 0.753 41.708 40.800 0.258 0.000 1.101 372 D HN 0.656 nan 8.370 nan 0.000 0.516 373 I N -0.155 120.683 120.570 0.447 0.000 2.194 373 I HA -0.334 3.837 4.170 0.002 0.000 0.246 373 I C 2.023 178.335 176.117 0.325 0.000 1.093 373 I CA 1.932 63.477 61.300 0.408 0.000 1.355 373 I CB -0.233 37.941 38.000 0.290 0.000 1.046 373 I HN 0.533 nan 8.210 nan 0.000 0.413 374 A N 0.394 123.367 122.820 0.255 0.000 1.940 374 A HA -0.290 4.031 4.320 0.002 0.000 0.219 374 A C 2.174 179.843 177.584 0.141 0.000 1.176 374 A CA 1.865 54.005 52.037 0.171 0.000 0.631 374 A CB -1.163 17.925 19.000 0.147 0.000 0.814 374 A HN 0.636 nan 8.150 nan 0.000 0.446 375 F N -0.930 119.043 119.950 0.038 0.000 2.102 375 F HA -0.135 4.393 4.527 0.002 0.000 0.298 375 F C 1.768 177.410 175.800 -0.264 0.000 1.105 375 F CA 1.483 59.396 58.000 -0.146 0.000 1.239 375 F CB -0.467 38.400 39.000 -0.221 0.000 0.991 375 F HN 0.364 nan 8.300 nan 0.000 0.474 376 W N 0.675 121.956 121.300 -0.032 0.000 2.800 376 W HA 0.037 4.698 4.660 0.002 0.000 0.249 376 W C 2.160 178.576 176.519 -0.172 0.000 1.294 376 W CA 0.533 57.777 57.345 -0.167 0.000 1.402 376 W CB -0.463 28.989 29.460 -0.012 0.000 1.126 376 W HN 0.095 nan 8.180 nan 0.000 0.652 377 Q N -0.387 119.442 119.800 0.048 0.000 2.432 377 Q HA 0.112 4.453 4.340 0.002 0.000 0.205 377 Q C 1.429 177.381 176.000 -0.080 0.000 0.945 377 Q CA 0.553 56.364 55.803 0.015 0.000 0.924 377 Q CB 0.105 28.875 28.738 0.052 0.000 1.016 377 Q HN 0.209 nan 8.270 nan 0.000 0.503 378 G N 0.321 109.008 108.800 -0.189 0.000 2.671 378 G HA2 0.211 4.172 3.960 0.002 0.000 0.275 378 G HA3 0.211 4.172 3.960 0.002 0.000 0.275 378 G C -0.733 173.975 174.900 -0.320 0.000 1.368 378 G CA -0.782 44.186 45.100 -0.221 0.000 1.044 378 G HN 0.100 nan 8.290 nan 0.000 0.543 379 N N -0.193 118.334 118.700 -0.287 0.000 2.399 379 N HA 0.286 5.027 4.740 0.002 0.000 0.259 379 N C -0.222 175.012 175.510 -0.460 0.000 1.160 379 N CA -0.404 52.469 53.050 -0.296 0.000 0.946 379 N CB 1.105 39.488 38.487 -0.175 0.000 1.156 379 N HN 0.079 nan 8.380 nan 0.000 0.489 380 V N 4.446 123.992 119.914 -0.613 0.000 2.649 380 V HA 0.184 4.305 4.120 0.002 0.000 0.292 380 V C -1.918 173.943 176.094 -0.389 0.000 1.055 380 V CA -1.688 60.128 62.300 -0.806 0.000 1.023 380 V CB 1.081 32.301 31.823 -1.005 0.000 0.992 380 V HN 0.539 nan 8.190 nan 0.000 0.480 381 P HA 0.118 nan 4.420 nan 0.000 0.266 381 P C 0.534 177.978 177.300 0.239 0.000 1.215 381 P CA 0.313 63.379 63.100 -0.057 0.000 0.763 381 P CB 0.464 32.136 31.700 -0.046 0.000 0.806 382 G N 2.430 111.369 108.800 0.233 0.000 3.814 382 G HA2 0.044 4.005 3.960 0.002 0.000 0.293 382 G HA3 0.044 4.005 3.960 0.002 0.000 0.293 382 G C 0.191 175.378 174.900 0.479 0.000 1.243 382 G CA -0.246 44.990 45.100 0.227 0.000 1.053 382 G HN 0.507 nan 8.290 nan 0.000 0.562 383 D N -1.238 119.414 120.400 0.419 0.000 2.513 383 D HA 0.147 4.788 4.640 0.002 0.000 0.222 383 D C 0.238 176.605 176.300 0.111 0.000 1.210 383 D CA -0.302 53.903 54.000 0.342 0.000 0.825 383 D CB 0.583 41.512 40.800 0.216 0.000 1.037 383 D HN 0.040 nan 8.370 nan 0.000 0.506 384 S N -0.294 115.480 115.700 0.124 0.000 2.546 384 S HA 0.328 4.799 4.470 0.002 0.000 0.272 384 S C 0.727 175.232 174.600 -0.159 0.000 1.140 384 S CA -0.098 57.991 58.200 -0.186 0.000 0.920 384 S CB 1.581 64.786 63.200 0.009 0.000 1.083 384 S HN 0.069 nan 8.310 nan 0.000 0.476 385 S N 3.841 119.281 115.700 -0.433 0.000 2.507 385 S HA -0.094 4.377 4.470 0.002 0.000 0.235 385 S C 1.694 176.297 174.600 0.005 0.000 0.988 385 S CA 0.733 58.899 58.200 -0.057 0.000 0.944 385 S CB -0.417 62.748 63.200 -0.059 0.000 0.762 385 S HN 0.774 nan 8.310 nan 0.000 0.526 386 R N 0.420 120.843 120.500 -0.128 0.000 2.159 386 R HA -0.104 4.237 4.340 0.002 0.000 0.237 386 R C 0.671 176.833 176.300 -0.230 0.000 1.131 386 R CA 1.434 57.372 56.100 -0.270 0.000 0.982 386 R CB -0.237 29.736 30.300 -0.544 0.000 0.868 386 R HN 0.649 nan 8.270 nan 0.000 0.453 387 Y N -0.652 119.870 120.300 0.371 0.000 2.507 387 Y HA 0.194 4.745 4.550 0.002 0.000 0.254 387 Y C -0.112 176.200 175.900 0.688 0.000 1.171 387 Y CA -0.734 57.736 58.100 0.616 0.000 1.238 387 Y CB 0.684 39.516 38.460 0.620 0.000 1.148 387 Y HN -0.032 nan 8.280 nan 0.000 0.525 388 L N 3.722 125.224 121.223 0.465 0.000 2.375 388 L HA 0.189 4.529 4.340 0.002 0.000 0.276 388 L C 0.254 177.208 176.870 0.140 0.000 1.162 388 L CA -0.911 54.048 54.840 0.199 0.000 0.991 388 L CB -0.368 41.728 42.059 0.062 0.000 1.315 388 L HN 0.160 nan 8.230 nan 0.000 0.431 389 W N 2.786 124.252 121.300 0.277 0.000 2.093 389 W HA 0.394 5.054 4.660 0.002 0.000 0.352 389 W C 0.279 176.843 176.519 0.075 0.000 1.294 389 W CA -0.040 57.371 57.345 0.111 0.000 1.290 389 W CB -0.198 29.251 29.460 -0.018 0.000 1.149 389 W HN 0.601 nan 8.180 nan 0.000 0.606 390 T N -3.499 111.249 114.554 0.322 0.000 3.073 390 T HA 0.175 4.526 4.350 0.002 0.000 0.264 390 T C -0.021 174.807 174.700 0.213 0.000 0.893 390 T CA -0.210 62.002 62.100 0.186 0.000 0.863 390 T CB 0.384 69.295 68.868 0.073 0.000 1.247 390 T HN 0.488 nan 8.240 nan 0.000 0.546 391 E N 1.899 122.216 120.200 0.195 0.000 2.281 391 E HA 0.611 4.962 4.350 0.002 0.000 0.262 391 E C -0.826 175.783 176.600 0.014 0.000 0.933 391 E CA -0.961 55.489 56.400 0.083 0.000 0.809 391 E CB 2.076 31.783 29.700 0.011 0.000 1.242 391 E HN 0.412 nan 8.360 nan 0.000 0.418 392 T N -2.009 112.523 114.554 -0.037 0.000 2.907 392 T HA 0.309 4.660 4.350 0.002 0.000 0.292 392 T C -0.281 174.356 174.700 -0.105 0.000 1.043 392 T CA -0.922 61.127 62.100 -0.085 0.000 1.003 392 T CB 1.097 69.953 68.868 -0.019 0.000 1.084 392 T HN 0.322 nan 8.240 nan 0.000 0.483 393 H N 1.948 121.012 119.070 -0.010 0.000 2.815 393 H HA 0.287 4.844 4.556 0.002 0.000 0.350 393 H C -2.103 173.228 175.328 0.005 0.000 1.080 393 H CA -0.587 55.470 56.048 0.015 0.000 1.433 393 H CB 0.687 30.473 29.762 0.040 0.000 1.432 393 H HN 0.468 nan 8.280 nan 0.000 0.592 394 P HA -0.035 nan 4.420 nan 0.000 0.276 394 P C 1.034 178.370 177.300 0.061 0.000 1.261 394 P CA -0.646 62.490 63.100 0.062 0.000 0.800 394 P CB 0.880 32.608 31.700 0.046 0.000 1.066 395 L N 0.923 122.153 121.223 0.012 0.000 2.187 395 L HA -0.168 4.173 4.340 0.002 0.000 0.213 395 L C 1.140 178.018 176.870 0.014 0.000 1.100 395 L CA 2.052 56.887 54.840 -0.008 0.000 0.765 395 L CB -1.075 40.951 42.059 -0.056 0.000 0.904 395 L HN 0.239 nan 8.230 nan 0.000 0.437 396 D N -0.493 119.923 120.400 0.026 0.000 2.371 396 D HA -0.103 4.538 4.640 0.002 0.000 0.221 396 D C 1.097 177.433 176.300 0.059 0.000 0.986 396 D CA 0.693 54.716 54.000 0.039 0.000 0.899 396 D CB 0.033 40.852 40.800 0.032 0.000 0.902 396 D HN 0.471 nan 8.370 nan 0.000 0.530 397 D N -0.250 120.195 120.400 0.076 0.000 2.350 397 D HA 0.086 4.727 4.640 0.002 0.000 0.213 397 D C 0.659 176.984 176.300 0.042 0.000 1.031 397 D CA 0.106 54.152 54.000 0.076 0.000 0.861 397 D CB 0.714 41.607 40.800 0.154 0.000 0.926 397 D HN 0.211 nan 8.370 nan 0.000 0.520 398 L N 1.219 122.459 121.223 0.029 0.000 2.325 398 L HA 0.365 4.706 4.340 0.002 0.000 0.279 398 L C -2.209 174.617 176.870 -0.072 0.000 1.054 398 L CA -2.090 52.737 54.840 -0.022 0.000 0.804 398 L CB 0.882 42.972 42.059 0.053 0.000 1.200 398 L HN -0.375 nan 8.230 nan 0.000 0.436 399 P HA 0.103 nan 4.420 nan 0.000 0.261 399 P C -0.993 176.310 177.300 0.006 0.000 1.183 399 P CA 0.412 63.219 63.100 -0.488 0.000 0.761 399 P CB 0.416 31.607 31.700 -0.849 0.000 0.785 400 R N 1.579 122.188 120.500 0.183 0.000 2.707 400 R HA 0.712 5.053 4.340 0.002 0.000 0.272 400 R C -1.576 174.993 176.300 0.449 0.000 1.011 400 R CA -1.047 55.228 56.100 0.292 0.000 0.893 400 R CB 2.031 32.423 30.300 0.153 0.000 1.233 400 R HN 0.114 nan 8.270 nan 0.000 0.464 401 V N 0.875 121.042 119.914 0.422 0.000 2.686 401 V HA 0.525 4.646 4.120 0.002 0.000 0.306 401 V C -0.743 175.476 176.094 0.209 0.000 1.065 401 V CA -0.685 61.804 62.300 0.315 0.000 0.894 401 V CB 2.378 34.369 31.823 0.279 0.000 1.004 401 V HN 0.829 nan 8.190 nan 0.000 0.424 402 T N 3.535 118.160 114.554 0.120 0.000 2.928 402 T HA 0.423 4.774 4.350 0.002 0.000 0.296 402 T C -0.026 174.656 174.700 -0.030 0.000 1.000 402 T CA -0.571 61.539 62.100 0.017 0.000 0.989 402 T CB 1.045 69.917 68.868 0.006 0.000 1.005 402 T HN 0.719 nan 8.240 nan 0.000 0.442 403 N N 2.288 120.944 118.700 -0.074 0.000 2.705 403 N HA -0.110 4.631 4.740 0.002 0.000 0.255 403 N C -2.307 173.174 175.510 -0.048 0.000 1.008 403 N CA 0.396 53.406 53.050 -0.066 0.000 0.742 403 N CB -0.747 37.694 38.487 -0.077 0.000 0.906 403 N HN 0.493 nan 8.380 nan 0.000 0.541 404 P HA 0.184 nan 4.420 nan 0.000 0.274 404 P C -1.675 175.580 177.300 -0.076 0.000 1.256 404 P CA -1.047 62.009 63.100 -0.074 0.000 0.795 404 P CB 0.497 32.121 31.700 -0.126 0.000 1.038 405 P HA -0.143 nan 4.420 nan 0.000 0.217 405 P C 1.663 178.933 177.300 -0.050 0.000 1.148 405 P CA 1.970 65.033 63.100 -0.063 0.000 0.828 405 P CB -0.505 31.148 31.700 -0.077 0.000 0.783 406 G N -1.127 107.629 108.800 -0.074 0.000 2.470 406 G HA2 0.019 3.980 3.960 0.002 0.000 0.220 406 G HA3 0.019 3.980 3.960 0.002 0.000 0.220 406 G C 1.184 176.144 174.900 0.100 0.000 1.121 406 G CA 0.742 45.844 45.100 0.005 0.000 0.766 406 G HN 0.476 nan 8.290 nan 0.000 0.553 407 G N -1.455 107.358 108.800 0.022 0.000 2.137 407 G HA2 0.014 3.975 3.960 0.002 0.000 0.237 407 G HA3 0.014 3.975 3.960 0.002 0.000 0.237 407 G C 0.123 175.128 174.900 0.176 0.000 1.002 407 G CA 0.426 45.569 45.100 0.072 0.000 0.702 407 G HN 1.692 nan 8.290 nan 0.000 0.515 408 F N -2.133 117.814 119.950 -0.005 0.000 2.799 408 F HA 0.714 5.241 4.527 0.001 0.000 0.316 408 F C -0.781 175.054 175.800 0.058 0.000 1.155 408 F CA -1.017 56.989 58.000 0.009 0.000 0.916 408 F CB 0.883 39.857 39.000 -0.043 0.000 1.294 408 F HN 0.870 nan 8.300 nan 0.000 0.447 409 V N 0.653 120.656 119.914 0.148 0.000 3.078 409 V HA 0.991 5.112 4.120 0.002 0.000 0.311 409 V C -1.427 174.929 176.094 0.436 0.000 1.138 409 V CA -0.570 61.776 62.300 0.076 0.000 1.007 409 V CB 1.448 33.368 31.823 0.162 0.000 1.045 409 V HN 1.555 nan 8.190 nan 0.000 0.432 410 Q N 1.321 121.326 119.800 0.342 0.000 2.578 410 Q HA 0.625 4.966 4.340 0.002 0.000 0.284 410 Q C -1.698 174.447 176.000 0.243 0.000 0.960 410 Q CA -0.540 55.553 55.803 0.484 0.000 0.809 410 Q CB 1.682 30.860 28.738 0.733 0.000 1.462 410 Q HN 1.015 nan 8.270 nan 0.000 0.392 411 N N 0.229 119.090 118.700 0.268 0.000 2.452 411 N HA 0.357 5.098 4.740 0.002 0.000 0.277 411 N C -1.473 174.127 175.510 0.149 0.000 1.078 411 N CA -0.300 52.848 53.050 0.164 0.000 0.947 411 N CB 2.063 40.676 38.487 0.210 0.000 1.655 411 N HN 0.613 nan 8.380 nan 0.000 0.490 412 S N 2.308 118.076 115.700 0.113 0.000 2.740 412 S HA 0.285 4.756 4.470 0.002 0.000 0.244 412 S C 0.274 174.915 174.600 0.068 0.000 1.101 412 S CA -0.389 57.856 58.200 0.076 0.000 1.123 412 S CB -0.496 62.780 63.200 0.127 0.000 1.012 412 S HN 0.832 nan 8.310 nan 0.000 0.491 413 N N 1.553 120.298 118.700 0.074 0.000 2.984 413 N HA -0.146 4.595 4.740 0.002 0.000 0.227 413 N C -0.568 174.959 175.510 0.028 0.000 0.903 413 N CA 1.160 54.255 53.050 0.075 0.000 0.995 413 N CB -0.935 37.606 38.487 0.090 0.000 1.065 413 N HN 0.629 nan 8.380 nan 0.000 0.585 414 D N 0.874 121.254 120.400 -0.033 0.000 2.357 414 D HA 0.236 4.877 4.640 0.002 0.000 0.242 414 D C -2.417 173.745 176.300 -0.230 0.000 1.153 414 D CA -1.123 52.765 54.000 -0.187 0.000 0.918 414 D CB 0.116 40.709 40.800 -0.345 0.000 1.181 414 D HN -0.055 nan 8.370 nan 0.000 0.435 415 P HA 0.056 nan 4.420 nan 0.000 0.268 415 P C -1.795 175.186 177.300 -0.532 0.000 1.208 415 P CA -0.739 62.174 63.100 -0.312 0.000 0.777 415 P CB -0.062 31.588 31.700 -0.082 0.000 0.875 416 P HA -0.082 nan 4.420 nan 0.000 0.288 416 P C -0.112 176.892 177.300 -0.494 0.000 1.448 416 P CA 0.792 63.529 63.100 -0.605 0.000 0.764 416 P CB -0.598 30.754 31.700 -0.581 0.000 1.472 417 W N -0.719 120.697 121.300 0.194 0.000 3.211 417 W HA 0.156 4.817 4.660 0.002 0.000 0.292 417 W C 0.498 177.165 176.519 0.247 0.000 1.268 417 W CA -0.122 57.395 57.345 0.287 0.000 1.702 417 W CB 0.171 29.865 29.460 0.390 0.000 1.092 417 W HN -0.085 nan 8.180 nan 0.000 0.643 418 T N 1.051 115.811 114.554 0.343 0.000 3.741 418 T HA 0.083 4.434 4.350 0.002 0.000 0.242 418 T C -1.652 173.106 174.700 0.097 0.000 1.042 418 T CA -0.675 61.608 62.100 0.305 0.000 1.278 418 T CB 0.534 69.663 68.868 0.434 0.000 0.994 418 T HN -0.149 nan 8.240 nan 0.000 0.594 419 P HA 0.051 nan 4.420 nan 0.000 0.226 419 P C 0.561 177.733 177.300 -0.214 0.000 1.153 419 P CA 0.973 63.892 63.100 -0.301 0.000 0.777 419 P CB 0.505 31.861 31.700 -0.574 0.000 0.794 420 T N -2.320 112.122 114.554 -0.186 0.000 2.718 420 T HA 0.424 4.775 4.350 0.002 0.000 0.306 420 T C -2.735 171.957 174.700 -0.012 0.000 1.485 420 T CA -0.726 61.093 62.100 -0.467 0.000 0.997 420 T CB 1.071 69.613 68.868 -0.543 0.000 1.504 420 T HN -0.000 nan 8.240 nan 0.000 0.497 421 W N 4.438 125.550 121.300 -0.313 0.000 2.884 421 W HA 0.434 5.095 4.660 0.001 0.000 0.336 421 W C -2.698 173.810 176.519 -0.018 0.000 1.038 421 W CA -1.946 55.387 57.345 -0.020 0.000 1.247 421 W CB 1.868 31.443 29.460 0.192 0.000 1.351 421 W HN 0.610 nan 8.180 nan 0.000 0.446 422 P HA 0.059 nan 4.420 nan 0.000 0.272 422 P C 0.126 177.231 177.300 -0.324 0.000 1.230 422 P CA 0.131 62.839 63.100 -0.653 0.000 0.788 422 P CB 1.411 32.785 31.700 -0.543 0.000 0.949 423 V N -0.548 119.190 119.914 -0.294 0.000 3.237 423 V HA 0.251 4.372 4.120 0.002 0.000 0.305 423 V C 1.212 177.184 176.094 -0.203 0.000 1.096 423 V CA 0.804 62.996 62.300 -0.180 0.000 1.130 423 V CB -0.183 31.588 31.823 -0.086 0.000 1.048 423 V HN 0.802 nan 8.190 nan 0.000 0.484 424 T N -1.232 113.169 114.554 -0.256 0.000 3.084 424 T HA 0.453 4.804 4.350 0.002 0.000 0.270 424 T C -0.064 174.665 174.700 0.048 0.000 1.008 424 T CA 0.489 62.525 62.100 -0.106 0.000 0.900 424 T CB -0.539 68.309 68.868 -0.033 0.000 1.084 424 T HN 1.485 nan 8.240 nan 0.000 0.538 425 Y N -1.000 119.375 120.300 0.125 0.000 2.925 425 Y HA 0.659 5.210 4.550 0.002 0.000 0.349 425 Y C -1.139 174.872 175.900 0.186 0.000 1.342 425 Y CA -2.261 55.931 58.100 0.153 0.000 1.093 425 Y CB 0.277 38.887 38.460 0.250 0.000 1.571 425 Y HN 0.404 nan 8.280 nan 0.000 0.438 426 C N -2.576 117.032 119.300 0.513 0.000 3.288 426 C HA 0.661 5.122 4.460 0.002 0.000 0.318 426 C C -2.149 172.825 174.990 -0.026 0.000 1.356 426 C CA -1.864 57.305 59.018 0.251 0.000 1.359 426 C CB 1.667 29.439 27.740 0.053 0.000 1.688 426 C HN 0.659 nan 8.230 nan 0.000 0.467 427 P HA -0.191 nan 4.420 nan 0.000 0.218 427 P C 1.729 178.816 177.300 -0.355 0.000 1.154 427 P CA 3.501 65.997 63.100 -1.005 0.000 0.872 427 P CB -0.094 31.020 31.700 -0.977 0.000 0.790 428 A N -0.889 121.801 122.820 -0.217 0.000 2.076 428 A HA -0.242 4.079 4.320 0.002 0.000 0.220 428 A C 1.843 179.353 177.584 -0.124 0.000 1.160 428 A CA 1.859 53.818 52.037 -0.131 0.000 0.653 428 A CB -1.651 17.293 19.000 -0.093 0.000 0.801 428 A HN 0.334 nan 8.150 nan 0.000 0.455 429 N N -0.994 117.622 118.700 -0.140 0.000 2.521 429 N HA 0.002 4.743 4.740 0.002 0.000 0.188 429 N C -0.238 174.931 175.510 -0.570 0.000 1.146 429 N CA 0.185 53.054 53.050 -0.301 0.000 0.893 429 N CB 0.082 38.384 38.487 -0.307 0.000 0.975 429 N HN 0.588 nan 8.380 nan 0.000 0.451 430 H N -0.520 118.494 119.070 -0.093 0.000 2.928 430 H HA 0.277 4.834 4.556 0.002 0.000 0.371 430 H C -2.437 172.785 175.328 -0.178 0.000 1.186 430 H CA -1.776 54.199 56.048 -0.122 0.000 1.134 430 H CB 1.454 31.172 29.762 -0.072 0.000 1.824 430 H HN -0.081 nan 8.280 nan 0.000 0.554 431 P HA -0.039 nan 4.420 nan 0.000 0.268 431 P C 0.808 177.867 177.300 -0.400 0.000 1.205 431 P CA -0.015 62.841 63.100 -0.406 0.000 0.771 431 P CB 0.799 32.027 31.700 -0.785 0.000 0.858 432 S N 1.727 117.273 115.700 -0.257 0.000 2.595 432 S HA -0.175 4.296 4.470 0.002 0.000 0.235 432 S C 1.250 175.881 174.600 0.051 0.000 0.974 432 S CA 0.457 58.624 58.200 -0.055 0.000 0.942 432 S CB -1.191 62.032 63.200 0.039 0.000 0.766 432 S HN 0.590 nan 8.310 nan 0.000 0.536 433 Y N -0.502 119.882 120.300 0.139 0.000 2.458 433 Y HA 0.539 5.090 4.550 0.002 0.000 0.256 433 Y C 1.377 177.322 175.900 0.075 0.000 1.159 433 Y CA -1.324 56.864 58.100 0.147 0.000 1.261 433 Y CB -0.660 37.866 38.460 0.110 0.000 1.119 433 Y HN 0.126 nan 8.280 nan 0.000 0.524 434 L N 0.677 121.957 121.223 0.095 0.000 1.988 434 L HA 0.163 4.504 4.340 0.002 0.000 0.207 434 L C 1.230 178.161 176.870 0.101 0.000 1.071 434 L CA 1.154 56.042 54.840 0.080 0.000 0.744 434 L CB -0.395 41.553 42.059 -0.185 0.000 0.893 434 L HN 0.393 nan 8.230 nan 0.000 0.433 435 A N -1.778 121.061 122.820 0.032 0.000 2.569 435 A HA 0.697 5.018 4.320 0.002 0.000 0.290 435 A C -2.594 175.127 177.584 0.228 0.000 1.136 435 A CA -1.155 50.926 52.037 0.073 0.000 0.710 435 A CB 1.008 19.817 19.000 -0.319 0.000 1.303 435 A HN -0.130 nan 8.150 nan 0.000 0.413 436 P HA 0.445 nan 4.420 nan 0.000 0.277 436 P C -0.826 176.736 177.300 0.436 0.000 1.271 436 P CA -0.193 63.067 63.100 0.266 0.000 0.795 436 P CB 0.486 32.296 31.700 0.183 0.000 1.101 437 Q N -0.658 119.347 119.800 0.341 0.000 2.215 437 Q HA 0.186 4.527 4.340 0.002 0.000 0.337 437 Q C -0.349 175.801 176.000 0.250 0.000 0.887 437 Q CA -0.190 55.829 55.803 0.361 0.000 1.134 437 Q CB 0.336 29.188 28.738 0.189 0.000 1.303 437 Q HN 0.513 nan 8.270 nan 0.000 0.421 438 T N -2.723 111.935 114.554 0.174 0.000 2.902 438 T HA 0.500 4.851 4.350 0.002 0.000 0.280 438 T C -2.527 172.005 174.700 -0.281 0.000 0.992 438 T CA -2.172 59.940 62.100 0.020 0.000 1.015 438 T CB 1.042 69.926 68.868 0.026 0.000 1.044 438 T HN -0.131 nan 8.240 nan 0.000 0.520 439 P HA 0.090 nan 4.420 nan 0.000 0.264 439 P C -0.245 176.547 177.300 -0.846 0.000 1.193 439 P CA 0.035 62.346 63.100 -1.315 0.000 0.763 439 P CB -0.078 31.262 31.700 -0.599 0.000 0.810 440 H N 0.429 118.777 119.070 -1.204 0.000 2.764 440 H HA 0.156 4.713 4.556 0.002 0.000 0.341 440 H C 1.070 176.283 175.328 -0.193 0.000 1.072 440 H CA -0.726 55.093 56.048 -0.382 0.000 1.444 440 H CB 0.635 30.362 29.762 -0.058 0.000 1.458 440 H HN 0.482 nan 8.280 nan 0.000 0.572 441 S N 2.891 118.628 115.700 0.062 0.000 2.572 441 S HA -0.047 4.424 4.470 0.002 0.000 0.267 441 S C 1.414 176.109 174.600 0.158 0.000 1.361 441 S CA -0.600 57.662 58.200 0.104 0.000 1.009 441 S CB 0.583 63.856 63.200 0.122 0.000 0.888 441 S HN 0.594 nan 8.310 nan 0.000 0.553 442 L N 0.782 122.114 121.223 0.182 0.000 2.141 442 L HA -0.048 4.293 4.340 0.002 0.000 0.209 442 L C 2.997 179.999 176.870 0.220 0.000 1.094 442 L CA 1.576 56.538 54.840 0.203 0.000 0.763 442 L CB -0.573 41.622 42.059 0.227 0.000 0.908 442 L HN 0.829 nan 8.230 nan 0.000 0.437 443 R N 0.747 121.385 120.500 0.229 0.000 2.073 443 R HA -0.170 4.171 4.340 0.002 0.000 0.234 443 R C 2.383 178.864 176.300 0.302 0.000 1.134 443 R CA 1.491 57.754 56.100 0.270 0.000 0.952 443 R CB -0.272 30.153 30.300 0.209 0.000 0.850 443 R HN 0.281 nan 8.270 nan 0.000 0.433 444 A N 0.833 123.795 122.820 0.236 0.000 1.940 444 A HA -0.240 4.081 4.320 0.002 0.000 0.219 444 A C 2.089 179.823 177.584 0.250 0.000 1.176 444 A CA 1.685 53.863 52.037 0.234 0.000 0.631 444 A CB -0.522 18.572 19.000 0.156 0.000 0.814 444 A HN 0.563 nan 8.150 nan 0.000 0.446 445 Q N -1.221 118.716 119.800 0.229 0.000 2.079 445 Q HA -0.182 4.159 4.340 0.002 0.000 0.200 445 Q C 2.355 178.428 176.000 0.121 0.000 0.974 445 Q CA 1.288 57.196 55.803 0.175 0.000 0.840 445 Q CB -0.205 28.634 28.738 0.169 0.000 0.898 445 Q HN 0.586 nan 8.270 nan 0.000 0.430 446 Q N 0.169 120.061 119.800 0.155 0.000 2.096 446 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 446 Q C 2.219 178.250 176.000 0.053 0.000 0.982 446 Q CA 1.463 57.326 55.803 0.100 0.000 0.850 446 Q CB -0.469 28.375 28.738 0.176 0.000 0.901 446 Q HN 0.259 nan 8.270 nan 0.000 0.422 447 S N -0.290 115.532 115.700 0.204 0.000 2.359 447 S HA -0.128 4.343 4.470 0.002 0.000 0.224 447 S C 2.018 176.706 174.600 0.146 0.000 1.035 447 S CA 1.481 59.860 58.200 0.298 0.000 1.018 447 S CB -0.096 63.459 63.200 0.592 0.000 0.876 447 S HN 0.216 nan 8.310 nan 0.000 0.448 448 V N 1.900 121.881 119.914 0.112 0.000 2.427 448 V HA -0.076 4.045 4.120 0.002 0.000 0.248 448 V C 2.710 178.701 176.094 -0.171 0.000 1.051 448 V CA 1.791 64.107 62.300 0.027 0.000 1.048 448 V CB -0.688 31.150 31.823 0.025 0.000 0.666 448 V HN 0.413 nan 8.190 nan 0.000 0.456 449 R N -0.573 119.831 120.500 -0.160 0.000 2.062 449 R HA 0.016 4.357 4.340 0.002 0.000 0.231 449 R C 1.142 177.281 176.300 -0.268 0.000 1.136 449 R CA 0.675 56.658 56.100 -0.194 0.000 0.948 449 R CB -0.360 29.861 30.300 -0.132 0.000 0.845 449 R HN 0.350 nan 8.270 nan 0.000 0.430 453 E N 1.800 121.895 120.200 -0.176 0.000 2.418 453 E HA 0.182 4.533 4.350 0.002 0.000 0.197 453 E C -0.277 176.239 176.600 -0.141 0.000 1.026 453 E CA 0.313 56.637 56.400 -0.127 0.000 0.862 453 E CB 0.016 29.636 29.700 -0.134 0.000 0.799 453 E HN 0.484 nan 8.360 nan 0.000 0.518 454 N N 0.996 119.578 118.700 -0.196 0.000 2.314 454 N HA 0.221 4.962 4.740 0.002 0.000 0.304 454 N C -1.184 174.235 175.510 -0.151 0.000 1.073 454 N CA -0.333 52.611 53.050 -0.177 0.000 0.822 454 N CB 2.037 40.391 38.487 -0.222 0.000 1.280 454 N HN -0.075 nan 8.380 nan 0.000 0.489 455 D N -0.930 119.403 120.400 -0.111 0.000 2.531 455 D HA 0.229 4.870 4.640 0.002 0.000 0.244 455 D C -0.895 175.355 176.300 -0.084 0.000 1.090 455 D CA -0.231 53.717 54.000 -0.087 0.000 0.989 455 D CB 1.369 42.133 40.800 -0.060 0.000 1.433 455 D HN 0.574 nan 8.370 nan 0.000 0.492 456 D N 0.324 120.679 120.400 -0.075 0.000 2.708 456 D HA -0.182 4.459 4.640 0.002 0.000 0.236 456 D C -0.776 175.474 176.300 -0.083 0.000 1.146 456 D CA 0.429 54.386 54.000 -0.071 0.000 0.662 456 D CB -0.938 39.826 40.800 -0.060 0.000 1.059 456 D HN 0.307 nan 8.370 nan 0.000 0.428 457 L N 0.209 121.372 121.223 -0.100 0.000 2.461 457 L HA 0.291 4.632 4.340 0.002 0.000 0.272 457 L C 1.485 178.292 176.870 -0.105 0.000 1.197 457 L CA 0.703 55.481 54.840 -0.104 0.000 0.836 457 L CB 0.669 42.658 42.059 -0.117 0.000 1.105 457 L HN 0.278 nan 8.230 nan 0.000 0.477 458 T N -0.967 113.535 114.554 -0.088 0.000 2.949 458 T HA 0.308 4.659 4.350 0.002 0.000 0.287 458 T C 0.653 175.305 174.700 -0.080 0.000 1.034 458 T CA -0.908 61.139 62.100 -0.089 0.000 1.018 458 T CB 1.513 70.335 68.868 -0.077 0.000 1.135 458 T HN 0.405 nan 8.240 nan 0.000 0.532 459 L N 0.879 122.048 121.223 -0.090 0.000 2.042 459 L HA 0.009 4.349 4.340 0.002 0.000 0.210 459 L C 2.317 179.149 176.870 -0.063 0.000 1.076 459 L CA 2.023 56.823 54.840 -0.066 0.000 0.749 459 L CB -1.303 40.715 42.059 -0.069 0.000 0.893 459 L HN 0.819 nan 8.230 nan 0.000 0.432 460 E N -0.543 119.586 120.200 -0.119 0.000 2.051 460 E HA -0.241 4.110 4.350 0.002 0.000 0.192 460 E C 2.311 178.815 176.600 -0.160 0.000 0.991 460 E CA 1.391 57.690 56.400 -0.168 0.000 0.799 460 E CB -0.357 29.258 29.700 -0.142 0.000 0.748 460 E HN 0.305 nan 8.360 nan 0.000 0.449 461 R N 0.158 120.592 120.500 -0.109 0.000 2.081 461 R HA -0.041 4.300 4.340 0.002 0.000 0.235 461 R C 0.672 176.902 176.300 -0.116 0.000 1.131 461 R CA 0.582 56.613 56.100 -0.115 0.000 0.960 461 R CB -0.837 29.408 30.300 -0.090 0.000 0.856 461 R HN 0.149 nan 8.270 nan 0.000 0.436 465 L N 0.553 121.522 121.223 -0.423 0.000 2.141 465 L HA -0.123 4.218 4.340 0.002 0.000 0.209 465 L C 2.606 179.372 176.870 -0.173 0.000 1.094 465 L CA 1.583 56.268 54.840 -0.259 0.000 0.763 465 L CB -0.185 41.717 42.059 -0.261 0.000 0.908 465 L HN 0.551 nan 8.230 nan 0.000 0.437 466 Q N 0.557 120.168 119.800 -0.315 0.000 2.291 466 Q HA -0.157 4.184 4.340 0.002 0.000 0.205 466 Q C 1.943 178.034 176.000 0.152 0.000 0.970 466 Q CA 1.479 57.198 55.803 -0.140 0.000 0.876 466 Q CB -0.053 28.474 28.738 -0.352 0.000 0.935 466 Q HN 0.566 nan 8.270 nan 0.000 0.455 467 F N 0.552 120.487 119.950 -0.024 0.000 2.802 467 F HA 0.061 4.589 4.527 0.001 0.000 0.300 467 F C 1.060 176.788 175.800 -0.121 0.000 1.168 467 F CA -0.750 57.229 58.000 -0.035 0.000 1.433 467 F CB 0.217 39.170 39.000 -0.079 0.000 1.115 467 F HN -0.202 nan 8.300 nan 0.000 0.582 468 S N 1.031 116.786 115.700 0.092 0.000 2.626 468 S HA -0.139 4.332 4.470 0.002 0.000 0.303 468 S C 0.306 175.016 174.600 0.183 0.000 1.256 468 S CA 0.159 58.378 58.200 0.032 0.000 1.069 468 S CB -0.511 62.718 63.200 0.048 0.000 0.807 468 S HN 0.492 nan 8.310 nan 0.000 0.500 469 H N 0.584 119.794 119.070 0.234 0.000 2.716 469 H HA 0.459 5.016 4.556 0.002 0.000 0.230 469 H C -0.145 175.326 175.328 0.239 0.000 1.401 469 H CA -0.982 55.250 56.048 0.307 0.000 1.168 469 H CB 0.193 30.163 29.762 0.346 0.000 1.935 469 H HN 0.287 nan 8.280 nan 0.000 0.538 470 R N 1.760 122.441 120.500 0.302 0.000 2.389 470 R HA 0.343 4.684 4.340 0.002 0.000 0.295 470 R C 0.101 176.396 176.300 -0.008 0.000 1.075 470 R CA 0.036 56.166 56.100 0.050 0.000 1.005 470 R CB 0.596 30.907 30.300 0.019 0.000 0.987 470 R HN 0.573 nan 8.270 nan 0.000 0.452 471 A N 5.588 128.156 122.820 -0.419 0.000 3.077 471 A HA 0.228 4.549 4.320 0.002 0.000 0.255 471 A C 0.189 177.654 177.584 -0.198 0.000 1.728 471 A CA -0.595 51.192 52.037 -0.418 0.000 1.383 471 A CB -0.723 17.631 19.000 -1.077 0.000 1.097 471 A HN 0.581 nan 8.150 nan 0.000 0.634 475 D N 0.569 120.908 120.400 -0.101 0.000 2.218 475 D HA -0.095 4.546 4.640 0.002 0.000 0.204 475 D C 1.600 177.990 176.300 0.150 0.000 0.976 475 D CA 0.866 54.858 54.000 -0.014 0.000 0.853 475 D CB -0.033 40.755 40.800 -0.021 0.000 0.939 475 D HN 0.321 nan 8.370 nan 0.000 0.481 476 R N 0.010 120.633 120.500 0.205 0.000 2.246 476 R HA 0.040 4.381 4.340 0.002 0.000 0.199 476 R C 1.995 178.337 176.300 0.070 0.000 0.984 476 R CA 0.817 57.081 56.100 0.274 0.000 1.015 476 R CB -0.262 30.266 30.300 0.380 0.000 0.930 476 R HN 0.340 nan 8.270 nan 0.000 0.475 477 T N -3.143 111.469 114.554 0.098 0.000 3.028 477 T HA 0.209 4.560 4.350 0.002 0.000 0.250 477 T C 1.994 176.636 174.700 -0.098 0.000 0.979 477 T CA -0.305 61.780 62.100 -0.025 0.000 1.004 477 T CB -0.218 68.660 68.868 0.015 0.000 1.120 477 T HN -0.052 nan 8.240 nan 0.000 0.482 478 L N 1.348 122.535 121.223 -0.060 0.000 2.127 478 L HA 0.016 4.357 4.340 0.002 0.000 0.211 478 L C -0.634 176.188 176.870 -0.081 0.000 1.089 478 L CA 1.480 56.256 54.840 -0.107 0.000 0.757 478 L CB -1.604 40.395 42.059 -0.099 0.000 0.899 478 L HN 0.267 nan 8.230 nan 0.000 0.434 479 P HA -0.124 nan 4.420 nan 0.000 0.220 479 P C 0.796 178.091 177.300 -0.007 0.000 1.148 479 P CA 1.270 64.375 63.100 0.008 0.000 0.803 479 P CB 0.089 31.849 31.700 0.099 0.000 0.782 480 D N -1.972 118.401 120.400 -0.044 0.000 2.323 480 D HA 0.006 4.647 4.640 0.002 0.000 0.218 480 D C 1.702 177.958 176.300 -0.073 0.000 0.973 480 D CA 0.342 54.317 54.000 -0.043 0.000 0.890 480 D CB -0.619 40.151 40.800 -0.051 0.000 1.011 480 D HN -0.001 nan 8.370 nan 0.000 0.499 481 L N 1.046 122.182 121.223 -0.145 0.000 2.005 481 L HA -0.090 4.251 4.340 0.002 0.000 0.207 481 L C 1.926 178.696 176.870 -0.167 0.000 1.072 481 L CA 1.214 55.925 54.840 -0.214 0.000 0.744 481 L CB -0.442 41.333 42.059 -0.473 0.000 0.895 481 L HN -0.089 nan 8.230 nan 0.000 0.433 482 I N 1.018 121.501 120.570 -0.145 0.000 2.087 482 I HA -0.230 3.941 4.170 0.002 0.000 0.240 482 I C -0.107 175.971 176.117 -0.065 0.000 1.054 482 I CA 2.049 63.288 61.300 -0.101 0.000 1.311 482 I CB -3.058 34.898 38.000 -0.074 0.000 1.024 482 I HN 0.276 nan 8.210 nan 0.000 0.402 483 P HA -0.170 nan 4.420 nan 0.000 0.216 483 P C 1.566 178.852 177.300 -0.024 0.000 1.150 483 P CA 2.327 65.411 63.100 -0.027 0.000 0.843 483 P CB -0.027 31.665 31.700 -0.014 0.000 0.787 484 A N 0.543 123.346 122.820 -0.029 0.000 1.902 484 A HA -0.030 4.291 4.320 0.002 0.000 0.217 484 A C 2.536 180.107 177.584 -0.022 0.000 1.181 484 A CA 2.177 54.204 52.037 -0.017 0.000 0.623 484 A CB -1.510 17.483 19.000 -0.011 0.000 0.818 484 A HN 0.242 nan 8.150 nan 0.000 0.443 485 A N -0.272 122.521 122.820 -0.045 0.000 1.930 485 A HA 0.007 4.328 4.320 0.002 0.000 0.217 485 A C 2.086 179.653 177.584 -0.028 0.000 1.175 485 A CA 1.333 53.344 52.037 -0.043 0.000 0.627 485 A CB -0.603 18.349 19.000 -0.080 0.000 0.815 485 A HN 0.462 nan 8.150 nan 0.000 0.443 486 L N -0.008 121.197 121.223 -0.029 0.000 2.261 486 L HA -0.157 4.184 4.340 0.002 0.000 0.216 486 L C 2.226 179.090 176.870 -0.011 0.000 1.114 486 L CA 1.355 56.184 54.840 -0.020 0.000 0.777 486 L CB -0.513 41.534 42.059 -0.020 0.000 0.910 486 L HN 0.698 nan 8.230 nan 0.000 0.440 487 I N -4.150 116.415 120.570 -0.008 0.000 3.793 487 I HA 0.089 4.260 4.170 0.002 0.000 0.315 487 I C 0.757 176.874 176.117 0.001 0.000 1.275 487 I CA -0.163 61.136 61.300 -0.002 0.000 1.214 487 I CB -0.215 37.786 38.000 0.001 0.000 1.018 487 I HN 0.038 nan 8.210 nan 0.000 0.439 488 D N 3.502 123.902 120.400 0.000 0.000 2.382 488 D HA 0.095 4.736 4.640 0.002 0.000 0.245 488 D C -1.313 174.989 176.300 0.004 0.000 1.120 488 D CA -1.508 52.495 54.000 0.005 0.000 0.890 488 D CB 1.804 42.608 40.800 0.006 0.000 1.201 488 D HN 0.045 nan 8.370 nan 0.000 0.433 489 P HA -0.112 nan 4.420 nan 0.000 0.218 489 P C 0.360 177.663 177.300 0.005 0.000 1.149 489 P CA 0.449 63.552 63.100 0.005 0.000 0.817 489 P CB 0.202 31.907 31.700 0.007 0.000 0.785 490 D N 1.643 122.047 120.400 0.007 0.000 2.389 490 D HA -0.005 4.636 4.640 0.002 0.000 0.263 490 D C -0.971 175.331 176.300 0.004 0.000 1.255 490 D CA -1.712 52.292 54.000 0.007 0.000 0.914 490 D CB 0.866 41.672 40.800 0.010 0.000 1.116 490 D HN 0.132 nan 8.370 nan 0.000 0.502 491 P HA -0.183 nan 4.420 nan 0.000 0.219 491 P C 1.121 178.421 177.300 -0.000 0.000 1.146 491 P CA 0.964 64.064 63.100 0.000 0.000 0.808 491 P CB 0.396 32.097 31.700 0.001 0.000 0.779 492 E N -0.055 120.146 120.200 0.002 0.000 2.208 492 E HA -0.071 4.280 4.350 0.002 0.000 0.193 492 E C 1.875 178.475 176.600 0.002 0.000 0.988 492 E CA 0.499 56.900 56.400 0.003 0.000 0.828 492 E CB -0.166 29.538 29.700 0.007 0.000 0.763 492 E HN -0.023 nan 8.360 nan 0.000 0.478 493 V N 1.039 120.954 119.914 0.002 0.000 2.548 493 V HA -0.218 3.903 4.120 0.002 0.000 0.249 493 V C 2.229 178.315 176.094 -0.013 0.000 1.055 493 V CA 1.665 63.964 62.300 -0.002 0.000 1.065 493 V CB -0.381 31.443 31.823 0.002 0.000 0.681 493 V HN 0.290 nan 8.190 nan 0.000 0.462 494 Q N -0.063 119.730 119.800 -0.010 0.000 2.046 494 Q HA -0.139 4.202 4.340 0.002 0.000 0.200 494 Q C 2.458 178.449 176.000 -0.016 0.000 0.975 494 Q CA 1.786 57.581 55.803 -0.014 0.000 0.836 494 Q CB -0.414 28.319 28.738 -0.009 0.000 0.896 494 Q HN 0.654 nan 8.270 nan 0.000 0.428 495 A N 1.045 123.858 122.820 -0.011 0.000 1.902 495 A HA -0.158 4.163 4.320 0.002 0.000 0.217 495 A C 2.281 179.856 177.584 -0.016 0.000 1.181 495 A CA 1.648 53.678 52.037 -0.012 0.000 0.623 495 A CB -0.841 18.154 19.000 -0.008 0.000 0.818 495 A HN 0.412 nan 8.150 nan 0.000 0.443 496 A N -0.145 122.665 122.820 -0.016 0.000 1.902 496 A HA 0.147 4.467 4.320 0.002 0.000 0.217 496 A C 2.502 180.066 177.584 -0.032 0.000 1.181 496 A CA 2.106 54.130 52.037 -0.021 0.000 0.623 496 A CB -0.997 17.993 19.000 -0.016 0.000 0.818 496 A HN 1.068 nan 8.150 nan 0.000 0.443 497 A N -0.191 122.605 122.820 -0.040 0.000 1.902 497 A HA -0.168 4.153 4.320 0.002 0.000 0.217 497 A C 2.265 179.829 177.584 -0.032 0.000 1.181 497 A CA 1.511 53.518 52.037 -0.051 0.000 0.623 497 A CB -0.453 18.515 19.000 -0.053 0.000 0.818 497 A HN 0.555 nan 8.150 nan 0.000 0.443 498 R N -1.215 119.272 120.500 -0.022 0.000 2.075 498 R HA -0.064 4.277 4.340 0.002 0.000 0.232 498 R C 2.130 178.426 176.300 -0.007 0.000 1.126 498 R CA 1.277 57.369 56.100 -0.014 0.000 0.963 498 R CB -0.613 29.680 30.300 -0.012 0.000 0.858 498 R HN 0.492 nan 8.270 nan 0.000 0.435 499 L N 1.356 122.572 121.223 -0.012 0.000 2.012 499 L HA -0.163 4.178 4.340 0.002 0.000 0.210 499 L C 1.980 178.855 176.870 0.008 0.000 1.073 499 L CA 1.719 56.550 54.840 -0.014 0.000 0.748 499 L CB -0.377 41.661 42.059 -0.034 0.000 0.891 499 L HN 0.124 nan 8.230 nan 0.000 0.431 500 L N -0.845 120.387 121.223 0.015 0.000 2.141 500 L HA -0.111 4.230 4.340 0.002 0.000 0.209 500 L C 2.608 179.538 176.870 0.100 0.000 1.094 500 L CA 0.889 55.778 54.840 0.081 0.000 0.763 500 L CB -0.842 41.251 42.059 0.056 0.000 0.908 500 L HN 0.389 nan 8.230 nan 0.000 0.437 501 A N 0.079 122.919 122.820 0.033 0.000 1.930 501 A HA -0.067 4.254 4.320 0.002 0.000 0.217 501 A C 2.438 180.035 177.584 0.021 0.000 1.175 501 A CA 1.497 53.540 52.037 0.009 0.000 0.627 501 A CB -0.467 18.527 19.000 -0.011 0.000 0.815 501 A HN 0.370 nan 8.150 nan 0.000 0.443 502 A N -1.906 120.940 122.820 0.043 0.000 2.119 502 A HA 0.115 4.436 4.320 0.002 0.000 0.216 502 A C 0.778 178.419 177.584 0.096 0.000 1.152 502 A CA 0.055 52.118 52.037 0.043 0.000 0.708 502 A CB -0.457 18.561 19.000 0.031 0.000 0.805 502 A HN 0.665 nan 8.150 nan 0.000 0.460 503 W N 2.908 124.143 121.300 -0.109 0.000 2.264 503 W HA 0.250 4.911 4.660 0.002 0.000 0.331 503 W C 0.141 176.562 176.519 -0.164 0.000 1.364 503 W CA -0.344 56.915 57.345 -0.143 0.000 1.253 503 W CB 0.533 29.888 29.460 -0.175 0.000 1.215 503 W HN 0.420 nan 8.180 nan 0.000 0.561 504 D N 4.136 124.399 120.400 -0.229 0.000 2.338 504 D HA -0.111 4.530 4.640 0.002 0.000 0.239 504 D C 0.645 176.439 176.300 -0.842 0.000 1.095 504 D CA 0.123 53.880 54.000 -0.405 0.000 0.888 504 D CB -0.347 40.333 40.800 -0.201 0.000 0.899 504 D HN 0.642 nan 8.370 nan 0.000 0.525 505 R N -0.724 118.662 120.500 -1.856 0.000 3.641 505 R HA -0.132 4.209 4.340 0.002 0.000 0.286 505 R C -0.906 174.531 176.300 -1.438 0.000 1.153 505 R CA 0.991 55.740 56.100 -2.252 0.000 0.775 505 R CB -1.932 27.625 30.300 -1.239 0.000 1.215 505 R HN 0.321 nan 8.270 nan 0.000 0.474 506 D N -0.333 119.470 120.400 -0.994 0.000 2.646 506 D HA 0.197 4.838 4.640 0.002 0.000 0.245 506 D C -0.298 175.778 176.300 -0.374 0.000 1.099 506 D CA -0.582 53.115 54.000 -0.505 0.000 0.849 506 D CB 0.774 41.447 40.800 -0.211 0.000 1.448 506 D HN -0.050 nan 8.370 nan 0.000 0.489 507 F N 1.912 121.678 119.950 -0.307 0.000 2.679 507 F HA 0.085 4.613 4.527 0.001 0.000 0.351 507 F C 1.427 176.809 175.800 -0.698 0.000 1.279 507 F CA -0.270 57.410 58.000 -0.533 0.000 1.227 507 F CB -0.036 38.712 39.000 -0.421 0.000 1.623 507 F HN 0.013 nan 8.300 nan 0.000 0.666 508 T N -2.920 111.439 114.554 -0.325 0.000 2.944 508 T HA 0.222 4.573 4.350 0.002 0.000 0.284 508 T C 1.289 175.990 174.700 0.001 0.000 1.010 508 T CA -0.837 61.168 62.100 -0.158 0.000 1.025 508 T CB 1.755 70.587 68.868 -0.061 0.000 1.079 508 T HN 0.241 nan 8.240 nan 0.000 0.516 509 S N 1.193 116.946 115.700 0.090 0.000 2.383 509 S HA -0.138 4.333 4.470 0.002 0.000 0.229 509 S C 1.715 176.365 174.600 0.084 0.000 1.030 509 S CA 1.550 59.827 58.200 0.129 0.000 1.002 509 S CB -0.494 62.747 63.200 0.069 0.000 0.829 509 S HN 0.972 nan 8.310 nan 0.000 0.467 510 D N 0.968 121.393 120.400 0.042 0.000 2.355 510 D HA 0.064 4.705 4.640 0.002 0.000 0.218 510 D C 0.594 176.892 176.300 -0.002 0.000 1.004 510 D CA 0.094 54.105 54.000 0.017 0.000 0.880 510 D CB -0.508 40.301 40.800 0.014 0.000 0.911 510 D HN 0.182 nan 8.370 nan 0.000 0.528 511 S N 0.349 116.042 115.700 -0.011 0.000 2.555 511 S HA 0.025 4.496 4.470 0.002 0.000 0.293 511 S C 0.977 175.483 174.600 -0.158 0.000 1.248 511 S CA -0.373 57.768 58.200 -0.099 0.000 1.096 511 S CB 0.262 63.354 63.200 -0.180 0.000 0.881 511 S HN 0.177 nan 8.310 nan 0.000 0.498 512 R N 3.433 123.825 120.500 -0.180 0.000 2.310 512 R HA 0.169 4.510 4.340 0.002 0.000 0.202 512 R C 1.679 177.823 176.300 -0.261 0.000 0.933 512 R CA 0.733 56.733 56.100 -0.167 0.000 1.054 512 R CB 0.051 30.289 30.300 -0.103 0.000 0.985 512 R HN 0.677 nan 8.270 nan 0.000 0.489 513 A N 0.231 122.751 122.820 -0.501 0.000 2.167 513 A HA 0.300 4.621 4.320 0.002 0.000 0.208 513 A C 2.079 179.164 177.584 -0.831 0.000 1.198 513 A CA 0.550 52.209 52.037 -0.630 0.000 0.863 513 A CB 0.076 18.664 19.000 -0.686 0.000 0.904 513 A HN 0.235 nan 8.150 nan 0.000 0.484 514 A N 0.915 123.117 122.820 -1.031 0.000 1.869 514 A HA -0.210 4.111 4.320 0.002 0.000 0.218 514 A C 2.088 179.671 177.584 -0.001 0.000 1.203 514 A CA 1.876 53.541 52.037 -0.621 0.000 0.638 514 A CB -0.929 17.873 19.000 -0.330 0.000 0.831 514 A HN 0.485 nan 8.150 nan 0.000 0.450 515 L N -1.263 119.978 121.223 0.030 0.000 2.012 515 L HA -0.218 4.123 4.340 0.002 0.000 0.210 515 L C 2.622 179.517 176.870 0.042 0.000 1.073 515 L CA 1.523 56.341 54.840 -0.036 0.000 0.748 515 L CB -0.716 41.076 42.059 -0.446 0.000 0.891 515 L HN 0.526 nan 8.230 nan 0.000 0.431 516 L N -0.430 120.789 121.223 -0.007 0.000 2.012 516 L HA -0.260 4.081 4.340 0.002 0.000 0.210 516 L C 2.393 179.357 176.870 0.157 0.000 1.073 516 L CA 1.753 56.632 54.840 0.064 0.000 0.748 516 L CB -0.766 41.297 42.059 0.008 0.000 0.891 516 L HN 0.121 nan 8.230 nan 0.000 0.431 517 F N 0.670 120.628 119.950 0.015 0.000 2.126 517 F HA -0.211 4.317 4.527 0.002 0.000 0.299 517 F C 2.304 178.313 175.800 0.347 0.000 1.096 517 F CA 2.038 60.148 58.000 0.184 0.000 1.255 517 F CB -0.317 38.783 39.000 0.168 0.000 0.997 517 F HN 0.272 nan 8.300 nan 0.000 0.479 518 E N -0.103 120.259 120.200 0.269 0.000 2.038 518 E HA -0.239 4.112 4.350 0.002 0.000 0.195 518 E C 2.148 178.878 176.600 0.217 0.000 1.000 518 E CA 1.497 58.041 56.400 0.241 0.000 0.803 518 E CB -0.222 29.700 29.700 0.371 0.000 0.750 518 E HN 0.364 nan 8.360 nan 0.000 0.448 519 E N 0.023 120.351 120.200 0.214 0.000 2.097 519 E HA -0.219 4.132 4.350 0.002 0.000 0.196 519 E C 1.633 178.316 176.600 0.139 0.000 1.000 519 E CA 0.948 57.456 56.400 0.179 0.000 0.804 519 E CB -0.434 29.377 29.700 0.185 0.000 0.740 519 E HN 0.442 nan 8.360 nan 0.000 0.454 520 W N 1.451 122.727 121.300 -0.040 0.000 2.381 520 W HA -0.071 4.590 4.660 0.001 0.000 0.301 520 W C 2.383 178.869 176.519 -0.056 0.000 1.205 520 W CA 2.143 59.448 57.345 -0.067 0.000 1.285 520 W CB -0.402 28.981 29.460 -0.128 0.000 1.133 520 W HN 0.046 nan 8.180 nan 0.000 0.521 521 A N 0.920 123.642 122.820 -0.163 0.000 1.940 521 A HA -0.218 4.103 4.320 0.002 0.000 0.219 521 A C 2.000 179.610 177.584 0.043 0.000 1.176 521 A CA 1.883 53.819 52.037 -0.169 0.000 0.631 521 A CB -0.793 18.148 19.000 -0.097 0.000 0.814 521 A HN 0.421 nan 8.150 nan 0.000 0.446 522 R N -0.650 119.910 120.500 0.100 0.000 2.127 522 R HA -0.070 4.271 4.340 0.002 0.000 0.238 522 R C 1.840 178.011 176.300 -0.215 0.000 1.134 522 R CA 1.490 57.502 56.100 -0.145 0.000 0.975 522 R CB -0.398 29.817 30.300 -0.142 0.000 0.865 522 R HN 0.555 nan 8.270 nan 0.000 0.447 523 L N -1.510 119.570 121.223 -0.239 0.000 2.168 523 L HA 0.004 4.345 4.340 0.002 0.000 0.203 523 L C 2.138 178.798 176.870 -0.350 0.000 1.078 523 L CA 0.420 55.103 54.840 -0.262 0.000 0.780 523 L CB -0.413 41.514 42.059 -0.219 0.000 0.939 523 L HN 0.055 nan 8.230 nan 0.000 0.451 524 F N 1.464 120.961 119.950 -0.755 0.000 2.216 524 F HA -0.088 4.440 4.527 0.002 0.000 0.300 524 F C 1.706 177.212 175.800 -0.490 0.000 1.085 524 F CA 1.198 58.709 58.000 -0.817 0.000 1.326 524 F CB 0.093 38.132 39.000 -1.601 0.000 1.027 524 F HN -0.019 nan 8.300 nan 0.000 0.497 525 A N -0.177 122.426 122.820 -0.361 0.000 2.594 525 A HA 0.585 4.906 4.320 0.002 0.000 0.292 525 A C 0.712 178.195 177.584 -0.167 0.000 1.026 525 A CA 0.231 52.112 52.037 -0.260 0.000 0.983 525 A CB -0.866 18.151 19.000 0.029 0.000 1.233 525 A HN 0.903 nan 8.150 nan 0.000 0.519 526 G N -0.520 108.143 108.800 -0.230 0.000 2.819 526 G HA2 -0.180 3.781 3.960 0.002 0.000 0.682 526 G HA3 -0.180 3.781 3.960 0.002 0.000 0.682 526 G C 0.377 175.057 174.900 -0.365 0.000 1.481 526 G CA -0.070 44.889 45.100 -0.235 0.000 0.904 526 G HN 0.192 nan 8.290 nan 0.000 0.563 527 Q N 0.575 120.151 119.800 -0.375 0.000 2.181 527 Q HA -0.141 4.200 4.340 0.002 0.000 0.205 527 Q C 2.357 177.881 176.000 -0.794 0.000 0.980 527 Q CA 2.061 57.541 55.803 -0.538 0.000 0.862 527 Q CB -0.256 28.286 28.738 -0.327 0.000 0.905 527 Q HN 0.873 nan 8.270 nan 0.000 0.429 528 N N -0.637 117.766 118.700 -0.495 0.000 2.336 528 N HA -0.095 4.646 4.740 0.002 0.000 0.189 528 N C 0.038 175.458 175.510 -0.150 0.000 1.113 528 N CA 0.065 52.918 53.050 -0.328 0.000 0.858 528 N CB -0.326 38.089 38.487 -0.121 0.000 0.970 528 N HN 0.220 nan 8.380 nan 0.000 0.471 529 F N -1.531 118.390 119.950 -0.048 0.000 2.988 529 F HA -0.287 4.241 4.527 0.002 0.000 0.287 529 F C 1.256 177.098 175.800 0.071 0.000 0.781 529 F CA 0.340 58.346 58.000 0.010 0.000 1.221 529 F CB -1.703 37.326 39.000 0.047 0.000 1.392 529 F HN 0.305 nan 8.300 nan 0.000 0.425 530 A N 0.234 123.147 122.820 0.156 0.000 2.252 530 A HA 0.524 4.845 4.320 0.002 0.000 0.213 530 A C 1.661 179.315 177.584 0.117 0.000 1.188 530 A CA 0.533 52.655 52.037 0.142 0.000 0.863 530 A CB -0.411 18.641 19.000 0.086 0.000 0.893 530 A HN 0.555 nan 8.150 nan 0.000 0.495 531 G N -0.565 108.267 108.800 0.052 0.000 2.368 531 G HA2 0.273 4.234 3.960 0.002 0.000 0.233 531 G HA3 0.273 4.234 3.960 0.002 0.000 0.233 531 G C 0.407 175.368 174.900 0.102 0.000 1.267 531 G CA -0.077 45.022 45.100 -0.001 0.000 0.873 531 G HN 0.285 nan 8.290 nan 0.000 0.539 532 Q N 1.402 121.269 119.800 0.112 0.000 2.280 532 Q HA 0.132 4.473 4.340 0.002 0.000 0.244 532 Q C 2.571 178.692 176.000 0.202 0.000 0.847 532 Q CA 0.521 56.506 55.803 0.304 0.000 0.945 532 Q CB 0.395 29.269 28.738 0.226 0.000 1.115 532 Q HN 0.684 nan 8.270 nan 0.000 0.513 533 A N 1.283 124.104 122.820 0.001 0.000 2.084 533 A HA -0.094 4.227 4.320 0.002 0.000 0.221 533 A C 1.973 179.476 177.584 -0.135 0.000 1.161 533 A CA 1.830 53.838 52.037 -0.048 0.000 0.653 533 A CB -0.269 18.680 19.000 -0.085 0.000 0.802 533 A HN 0.271 nan 8.150 nan 0.000 0.457 534 A N -1.711 120.859 122.820 -0.416 0.000 2.275 534 A HA 0.508 4.829 4.320 0.002 0.000 0.212 534 A C 0.253 177.674 177.584 -0.272 0.000 1.201 534 A CA -0.447 51.252 52.037 -0.564 0.000 0.843 534 A CB -0.264 17.906 19.000 -1.384 0.000 0.873 534 A HN 0.316 nan 8.150 nan 0.000 0.492 535 F N -1.390 118.606 119.950 0.076 0.000 2.375 535 F HA 0.476 5.004 4.527 0.002 0.000 0.333 535 F C 1.536 177.426 175.800 0.149 0.000 1.104 535 F CA 0.060 58.189 58.000 0.215 0.000 1.149 535 F CB 1.253 40.375 39.000 0.204 0.000 1.190 535 F HN 0.089 nan 8.300 nan 0.000 0.533 536 A N 1.068 124.086 122.820 0.331 0.000 1.898 536 A HA 0.034 4.355 4.320 0.002 0.000 0.214 536 A C 0.888 178.607 177.584 0.225 0.000 1.183 536 A CA 0.992 53.161 52.037 0.221 0.000 0.622 536 A CB -0.486 18.617 19.000 0.171 0.000 0.824 536 A HN 0.632 nan 8.150 nan 0.000 0.444 537 T N 2.671 117.386 114.554 0.269 0.000 2.788 537 T HA 0.465 4.816 4.350 0.002 0.000 0.296 537 T C -2.782 172.034 174.700 0.193 0.000 1.009 537 T CA -1.218 61.011 62.100 0.215 0.000 0.949 537 T CB 1.784 70.793 68.868 0.234 0.000 0.946 537 T HN 0.206 nan 8.240 nan 0.000 0.453 538 P HA 0.040 nan 4.420 nan 0.000 0.270 538 P C -0.247 177.132 177.300 0.131 0.000 1.223 538 P CA -0.624 62.573 63.100 0.162 0.000 0.785 538 P CB 0.915 32.704 31.700 0.149 0.000 0.923 539 W N 2.154 123.441 121.300 -0.022 0.000 2.170 539 W HA 0.268 4.929 4.660 0.001 0.000 0.342 539 W C -0.060 176.447 176.519 -0.020 0.000 1.294 539 W CA 1.175 58.493 57.345 -0.045 0.000 1.246 539 W CB 0.467 29.896 29.460 -0.051 0.000 1.156 539 W HN 0.325 nan 8.180 nan 0.000 0.572 540 S N 5.162 120.218 115.700 -1.074 0.000 2.572 540 S HA 0.196 4.667 4.470 0.002 0.000 0.274 540 S C -0.121 173.579 174.600 -1.499 0.000 1.150 540 S CA -0.844 56.785 58.200 -0.951 0.000 0.944 540 S CB 1.066 64.002 63.200 -0.438 0.000 1.071 540 S HN 0.627 nan 8.310 nan 0.000 0.479 541 L N 3.518 124.050 121.223 -1.151 0.000 2.362 541 L HA 0.156 4.497 4.340 0.002 0.000 0.219 541 L C 1.382 178.052 176.870 -0.333 0.000 1.134 541 L CA 1.904 56.316 54.840 -0.713 0.000 0.807 541 L CB -0.366 41.581 42.059 -0.186 0.000 0.927 541 L HN 0.729 nan 8.230 nan 0.000 0.447 542 D N -0.138 120.080 120.400 -0.304 0.000 2.317 542 D HA -0.047 4.594 4.640 0.002 0.000 0.211 542 D C 0.609 176.844 176.300 -0.109 0.000 0.966 542 D CA 0.824 54.745 54.000 -0.133 0.000 0.876 542 D CB 0.217 40.948 40.800 -0.114 0.000 0.927 542 D HN 0.361 nan 8.370 nan 0.000 0.519 543 K N 0.792 121.037 120.400 -0.258 0.000 3.146 543 K HA 0.143 4.464 4.320 0.002 0.000 0.168 543 K C -2.051 174.341 176.600 -0.347 0.000 1.075 543 K CA -0.976 55.182 56.287 -0.216 0.000 0.843 543 K CB 2.332 34.719 32.500 -0.188 0.000 1.002 543 K HN -0.102 nan 8.250 nan 0.000 0.597 544 P HA -0.139 nan 4.420 nan 0.000 0.223 544 P C 0.856 178.149 177.300 -0.010 0.000 1.144 544 P CA 1.189 64.165 63.100 -0.207 0.000 0.783 544 P CB 0.167 31.800 31.700 -0.111 0.000 0.771 545 V N -3.798 116.042 119.914 -0.124 0.000 3.253 545 V HA 0.355 4.476 4.120 0.002 0.000 0.320 545 V C 1.056 177.131 176.094 -0.031 0.000 1.442 545 V CA 0.556 62.823 62.300 -0.055 0.000 1.097 545 V CB -0.464 31.258 31.823 -0.168 0.000 1.008 545 V HN 0.173 nan 8.190 nan 0.000 0.463 546 S N -0.541 115.133 115.700 -0.043 0.000 2.960 546 S HA 0.381 4.852 4.470 0.002 0.000 0.256 546 S C 0.507 175.110 174.600 0.005 0.000 1.017 546 S CA 0.413 58.597 58.200 -0.028 0.000 1.144 546 S CB 0.258 63.414 63.200 -0.072 0.000 1.109 546 S HN 0.959 nan 8.310 nan 0.000 0.638 547 T N -0.301 114.263 114.554 0.018 0.000 2.883 547 T HA 0.692 5.043 4.350 0.002 0.000 0.301 547 T C -3.519 171.296 174.700 0.192 0.000 1.158 547 T CA -1.983 60.141 62.100 0.040 0.000 1.007 547 T CB 1.979 70.782 68.868 -0.108 0.000 1.186 547 T HN -0.049 nan 8.240 nan 0.000 0.499 548 P HA 0.312 nan 4.420 nan 0.000 0.274 548 P C -1.518 175.745 177.300 -0.062 0.000 1.256 548 P CA -0.245 62.752 63.100 -0.172 0.000 0.795 548 P CB 0.528 31.815 31.700 -0.687 0.000 1.038 549 Y N -0.633 119.690 120.300 0.038 0.000 2.562 549 Y HA 0.492 5.043 4.550 0.002 0.000 0.345 549 Y C 0.044 176.161 175.900 0.362 0.000 1.045 549 Y CA 0.642 58.864 58.100 0.205 0.000 1.028 549 Y CB 1.620 40.147 38.460 0.111 0.000 1.297 549 Y HN 0.980 nan 8.280 nan 0.000 0.463 550 G N 1.342 109.524 108.800 -1.031 0.000 2.846 550 G HA2 -0.071 3.890 3.960 0.002 0.000 0.660 550 G HA3 -0.071 3.890 3.960 0.002 0.000 0.660 550 G C -1.912 172.987 174.900 -0.003 0.000 1.464 550 G CA -0.524 44.196 45.100 -0.634 0.000 0.891 550 G HN 1.068 nan 8.290 nan 0.000 0.552 551 V N 2.097 122.011 119.914 -0.000 0.000 2.370 551 V HA 0.421 4.542 4.120 0.002 0.000 0.279 551 V C 1.733 177.917 176.094 0.150 0.000 1.029 551 V CA 0.244 62.625 62.300 0.134 0.000 0.870 551 V CB 1.331 33.197 31.823 0.072 0.000 0.984 551 V HN 0.932 nan 8.190 nan 0.000 0.451 552 R N 2.435 123.048 120.500 0.189 0.000 2.062 552 R HA -0.070 4.271 4.340 0.002 0.000 0.231 552 R C 0.578 176.946 176.300 0.114 0.000 1.136 552 R CA 1.462 57.644 56.100 0.137 0.000 0.948 552 R CB 0.232 30.601 30.300 0.115 0.000 0.845 552 R HN 0.784 nan 8.270 nan 0.000 0.430 553 D N -0.095 120.381 120.400 0.127 0.000 2.458 553 D HA 0.139 4.780 4.640 0.002 0.000 0.258 553 D C -1.860 174.515 176.300 0.126 0.000 1.134 553 D CA -2.242 51.821 54.000 0.105 0.000 0.915 553 D CB 1.516 42.367 40.800 0.085 0.000 1.028 553 D HN 0.060 nan 8.370 nan 0.000 0.508 554 P HA -0.198 nan 4.420 nan 0.000 0.218 554 P C 0.953 178.306 177.300 0.088 0.000 1.148 554 P CA 1.026 64.180 63.100 0.090 0.000 0.822 554 P CB 0.567 32.298 31.700 0.051 0.000 0.784 555 K N 0.503 120.948 120.400 0.075 0.000 2.002 555 K HA -0.069 4.252 4.320 0.002 0.000 0.209 555 K C 2.493 179.145 176.600 0.086 0.000 1.048 555 K CA 1.560 57.887 56.287 0.066 0.000 0.930 555 K CB -1.013 31.518 32.500 0.052 0.000 0.714 555 K HN 0.005 nan 8.250 nan 0.000 0.438 556 A N 1.996 124.874 122.820 0.097 0.000 1.877 556 A HA -0.124 4.197 4.320 0.002 0.000 0.216 556 A C 2.535 180.221 177.584 0.169 0.000 1.186 556 A CA 1.936 54.037 52.037 0.106 0.000 0.620 556 A CB -0.989 18.064 19.000 0.087 0.000 0.822 556 A HN 0.361 nan 8.150 nan 0.000 0.443 557 A N -0.591 122.374 122.820 0.241 0.000 1.948 557 A HA -0.080 4.241 4.320 0.002 0.000 0.220 557 A C 2.222 180.043 177.584 0.396 0.000 1.177 557 A CA 2.014 54.308 52.037 0.428 0.000 0.636 557 A CB -0.992 18.276 19.000 0.446 0.000 0.815 557 A HN 0.460 nan 8.150 nan 0.000 0.449 558 V N 0.336 120.365 119.914 0.192 0.000 2.427 558 V HA -0.216 3.905 4.120 0.002 0.000 0.248 558 V C 2.146 178.321 176.094 0.135 0.000 1.051 558 V CA 2.156 64.523 62.300 0.112 0.000 1.048 558 V CB -0.732 31.122 31.823 0.051 0.000 0.666 558 V HN 0.495 nan 8.190 nan 0.000 0.456 559 D N -0.223 120.256 120.400 0.132 0.000 2.117 559 D HA -0.173 4.468 4.640 0.002 0.000 0.197 559 D C 2.356 178.739 176.300 0.139 0.000 0.987 559 D CA 1.223 55.287 54.000 0.106 0.000 0.829 559 D CB -0.161 40.685 40.800 0.078 0.000 0.961 559 D HN 0.524 nan 8.370 nan 0.000 0.460 560 Q N -0.093 119.826 119.800 0.197 0.000 2.135 560 Q HA -0.154 4.187 4.340 0.002 0.000 0.204 560 Q C 2.209 178.419 176.000 0.350 0.000 0.981 560 Q CA 0.682 56.606 55.803 0.201 0.000 0.856 560 Q CB -0.103 28.719 28.738 0.140 0.000 0.902 560 Q HN 0.184 nan 8.270 nan 0.000 0.425 561 L N 0.860 122.369 121.223 0.477 0.000 2.093 561 L HA -0.155 4.186 4.340 0.002 0.000 0.208 561 L C 2.321 179.299 176.870 0.179 0.000 1.085 561 L CA 1.680 56.737 54.840 0.360 0.000 0.755 561 L CB -0.399 41.684 42.059 0.040 0.000 0.904 561 L HN 0.048 nan 8.230 nan 0.000 0.435 562 R N -1.154 119.424 120.500 0.130 0.000 2.083 562 R HA -0.174 4.167 4.340 0.002 0.000 0.237 562 R C 1.978 178.326 176.300 0.080 0.000 1.137 562 R CA 2.182 58.331 56.100 0.082 0.000 0.951 562 R CB -0.443 29.896 30.300 0.065 0.000 0.851 562 R HN 0.428 nan 8.270 nan 0.000 0.434 563 T N 0.404 115.012 114.554 0.090 0.000 2.821 563 T HA -0.051 4.300 4.350 0.002 0.000 0.267 563 T C 1.767 176.514 174.700 0.079 0.000 1.046 563 T CA 1.136 63.276 62.100 0.067 0.000 1.139 563 T CB -0.185 68.714 68.868 0.051 0.000 0.871 563 T HN 0.433 nan 8.240 nan 0.000 0.454 564 A N 1.208 124.103 122.820 0.125 0.000 1.933 564 A HA -0.004 4.317 4.320 0.002 0.000 0.218 564 A C 2.247 179.900 177.584 0.116 0.000 1.175 564 A CA 1.075 53.197 52.037 0.141 0.000 0.628 564 A CB -0.757 18.389 19.000 0.244 0.000 0.814 564 A HN 0.520 nan 8.150 nan 0.000 0.444 565 I N -0.240 120.390 120.570 0.099 0.000 2.179 565 I HA -0.301 3.869 4.170 0.002 0.000 0.242 565 I C 2.990 179.144 176.117 0.062 0.000 1.088 565 I CA 1.082 62.426 61.300 0.073 0.000 1.357 565 I CB -0.371 37.661 38.000 0.053 0.000 1.051 565 I HN 0.363 nan 8.210 nan 0.000 0.409 566 A N 1.159 124.010 122.820 0.052 0.000 1.865 566 A HA -0.235 4.086 4.320 0.002 0.000 0.217 566 A C 2.072 179.678 177.584 0.036 0.000 1.191 566 A CA 2.148 54.207 52.037 0.037 0.000 0.623 566 A CB -0.773 18.244 19.000 0.028 0.000 0.826 566 A HN 0.414 nan 8.150 nan 0.000 0.444 567 N N -0.139 118.588 118.700 0.044 0.000 2.104 567 N HA -0.111 4.630 4.740 0.002 0.000 0.190 567 N C 1.728 177.275 175.510 0.062 0.000 1.024 567 N CA 1.984 55.056 53.050 0.038 0.000 0.853 567 N CB -0.985 37.529 38.487 0.044 0.000 1.008 567 N HN 0.530 nan 8.380 nan 0.000 0.424 568 T N 1.337 115.962 114.554 0.118 0.000 2.777 568 T HA -0.042 4.309 4.350 0.002 0.000 0.266 568 T C 1.838 176.642 174.700 0.174 0.000 1.040 568 T CA 1.046 63.272 62.100 0.209 0.000 1.141 568 T CB -0.012 68.963 68.868 0.178 0.000 0.868 568 T HN 0.299 nan 8.240 nan 0.000 0.444 569 K N 0.665 121.120 120.400 0.092 0.000 2.057 569 K HA -0.023 4.298 4.320 0.002 0.000 0.206 569 K C 2.568 179.183 176.600 0.025 0.000 1.050 569 K CA 0.879 57.203 56.287 0.061 0.000 0.935 569 K CB -0.113 32.410 32.500 0.038 0.000 0.715 569 K HN 0.174 nan 8.250 nan 0.000 0.439 570 R N 1.654 122.154 120.500 -0.000 0.000 2.066 570 R HA -0.118 4.223 4.340 0.002 0.000 0.232 570 R C 1.876 178.113 176.300 -0.106 0.000 1.131 570 R CA 1.596 57.672 56.100 -0.040 0.000 0.955 570 R CB 0.106 30.383 30.300 -0.038 0.000 0.851 570 R HN 0.050 nan 8.270 nan 0.000 0.432 571 K N -1.036 119.254 120.400 -0.184 0.000 2.103 571 K HA -0.125 4.196 4.320 0.002 0.000 0.204 571 K C 1.308 177.527 176.600 -0.635 0.000 1.052 571 K CA 1.425 57.428 56.287 -0.474 0.000 0.945 571 K CB 0.123 32.178 32.500 -0.742 0.000 0.722 571 K HN 0.327 nan 8.250 nan 0.000 0.443 572 Y N -1.501 118.784 120.300 -0.025 0.000 2.453 572 Y HA 0.237 4.788 4.550 0.002 0.000 0.247 572 Y C 1.327 177.206 175.900 -0.034 0.000 1.124 572 Y CA 0.049 58.125 58.100 -0.039 0.000 1.243 572 Y CB 1.453 39.882 38.460 -0.051 0.000 1.213 572 Y HN 0.204 nan 8.280 nan 0.000 0.523 573 G N 0.413 109.261 108.800 0.079 0.000 2.195 573 G HA2 -0.013 3.948 3.960 0.002 0.000 0.246 573 G HA3 -0.013 3.948 3.960 0.002 0.000 0.246 573 G C 0.122 175.050 174.900 0.046 0.000 0.984 573 G CA -0.008 45.119 45.100 0.044 0.000 0.633 573 G HN 0.843 nan 8.290 nan 0.000 0.525 574 A N -1.109 121.753 122.820 0.070 0.000 2.586 574 A HA 0.714 5.034 4.320 0.002 0.000 0.291 574 A C 0.752 178.366 177.584 0.049 0.000 1.062 574 A CA -0.004 52.058 52.037 0.043 0.000 0.666 574 A CB -0.067 18.945 19.000 0.020 0.000 1.281 574 A HN 1.349 nan 8.150 nan 0.000 0.421 575 I N -1.973 118.612 120.570 0.025 0.000 3.226 575 I HA 0.179 4.350 4.170 0.002 0.000 0.277 575 I C 0.496 176.597 176.117 -0.025 0.000 1.243 575 I CA 1.143 62.452 61.300 0.016 0.000 1.459 575 I CB 0.001 38.008 38.000 0.012 0.000 1.093 575 I HN 0.491 nan 8.210 nan 0.000 0.453 576 D N 1.949 122.329 120.400 -0.033 0.000 2.892 576 D HA 0.110 4.751 4.640 0.002 0.000 0.291 576 D C 0.280 176.540 176.300 -0.066 0.000 1.341 576 D CA -0.433 53.530 54.000 -0.061 0.000 0.844 576 D CB -0.043 40.728 40.800 -0.050 0.000 1.093 576 D HN 0.320 nan 8.370 nan 0.000 0.480 577 R N 1.171 121.625 120.500 -0.076 0.000 2.438 577 R HA 0.309 4.650 4.340 0.002 0.000 0.287 577 R C -2.437 173.795 176.300 -0.114 0.000 1.077 577 R CA -1.265 54.785 56.100 -0.083 0.000 1.034 577 R CB 0.508 30.762 30.300 -0.078 0.000 0.993 577 R HN -0.109 nan 8.270 nan 0.000 0.459 578 P HA -0.054 nan 4.420 nan 0.000 0.266 578 P C -0.159 177.089 177.300 -0.086 0.000 1.215 578 P CA 0.131 63.191 63.100 -0.067 0.000 0.763 578 P CB 0.223 31.893 31.700 -0.049 0.000 0.806 579 F N 4.442 124.254 119.950 -0.229 0.000 2.063 579 F HA -0.253 4.275 4.527 0.001 0.000 0.298 579 F C 2.202 177.814 175.800 -0.313 0.000 1.105 579 F CA 2.725 60.552 58.000 -0.289 0.000 1.215 579 F CB -0.909 37.970 39.000 -0.201 0.000 0.972 579 F HN 0.399 nan 8.300 nan 0.000 0.483 580 G N -1.666 107.109 108.800 -0.041 0.000 2.625 580 G HA2 -0.244 3.717 3.960 0.002 0.000 0.214 580 G HA3 -0.244 3.717 3.960 0.002 0.000 0.214 580 G C 1.065 175.853 174.900 -0.187 0.000 1.132 580 G CA 0.903 45.918 45.100 -0.142 0.000 0.782 580 G HN 0.500 nan 8.290 nan 0.000 0.538 581 D N -0.346 119.948 120.400 -0.177 0.000 2.240 581 D HA 0.236 4.877 4.640 0.002 0.000 0.206 581 D C 2.497 178.692 176.300 -0.176 0.000 0.963 581 D CA 0.971 54.888 54.000 -0.138 0.000 0.863 581 D CB 0.041 40.785 40.800 -0.093 0.000 0.973 581 D HN 0.172 nan 8.370 nan 0.000 0.501 582 A N -0.515 122.137 122.820 -0.279 0.000 1.924 582 A HA 0.227 4.548 4.320 0.002 0.000 0.211 582 A C 1.199 178.530 177.584 -0.422 0.000 1.198 582 A CA 0.064 51.941 52.037 -0.266 0.000 0.657 582 A CB 0.124 18.943 19.000 -0.303 0.000 0.852 582 A HN 0.135 nan 8.150 nan 0.000 0.454 583 S N 2.000 117.231 115.700 -0.781 0.000 2.400 583 S HA 0.494 4.965 4.470 0.002 0.000 0.295 583 S C 0.014 174.221 174.600 -0.656 0.000 1.113 583 S CA -0.506 56.971 58.200 -1.206 0.000 1.064 583 S CB 0.185 61.957 63.200 -2.381 0.000 0.990 583 S HN 0.387 nan 8.310 nan 0.000 0.502 587 L N 6.256 127.521 121.223 0.071 0.000 2.409 587 L HA 0.598 4.939 4.340 0.002 0.000 0.272 587 L C 0.321 177.242 176.870 0.085 0.000 0.980 587 L CA -0.547 54.317 54.840 0.040 0.000 0.826 587 L CB 1.769 43.706 42.059 -0.204 0.000 1.268 587 L HN 0.720 nan 8.230 nan 0.000 0.407 588 N N 2.140 120.954 118.700 0.190 0.000 1.188 588 N HA -0.278 4.463 4.740 0.002 0.000 0.128 588 N C 0.371 175.937 175.510 0.092 0.000 0.759 588 N CA 2.017 55.162 53.050 0.158 0.000 0.905 588 N CB -0.539 38.048 38.487 0.166 0.000 1.156 588 N HN 0.980 nan 8.380 nan 0.000 0.553 589 D N 1.353 121.793 120.400 0.068 0.000 2.427 589 D HA 0.186 4.827 4.640 0.002 0.000 0.224 589 D C -0.199 176.123 176.300 0.035 0.000 1.157 589 D CA 0.046 54.074 54.000 0.047 0.000 0.828 589 D CB -0.343 40.480 40.800 0.037 0.000 0.974 589 D HN 0.200 nan 8.370 nan 0.000 0.498 590 V N 1.551 121.486 119.914 0.035 0.000 2.407 590 V HA 0.280 4.401 4.120 0.002 0.000 0.278 590 V C 0.038 176.148 176.094 0.027 0.000 1.037 590 V CA -0.817 61.496 62.300 0.022 0.000 0.900 590 V CB 1.203 33.031 31.823 0.009 0.000 0.983 590 V HN 0.187 nan 8.190 nan 0.000 0.459 591 N N 4.508 123.221 118.700 0.021 0.000 2.573 591 N HA 0.434 5.175 4.740 0.002 0.000 0.262 591 N C -0.962 174.555 175.510 0.011 0.000 1.029 591 N CA -0.188 52.875 53.050 0.022 0.000 0.882 591 N CB 1.936 40.434 38.487 0.018 0.000 1.204 591 N HN 0.553 nan 8.380 nan 0.000 0.519 592 V N 1.649 121.570 119.914 0.013 0.000 2.919 592 V HA 0.798 4.919 4.120 0.002 0.000 0.316 592 V C -2.393 173.697 176.094 -0.006 0.000 1.077 592 V CA -2.155 60.146 62.300 0.002 0.000 0.977 592 V CB 1.703 33.526 31.823 0.000 0.000 1.039 592 V HN 0.397 nan 8.190 nan 0.000 0.441 593 P HA 0.298 nan 4.420 nan 0.000 0.271 593 P C 0.124 177.409 177.300 -0.026 0.000 1.216 593 P CA 0.518 63.597 63.100 -0.035 0.000 0.771 593 P CB 1.127 32.813 31.700 -0.023 0.000 0.864 594 G N 1.247 110.009 108.800 -0.064 0.000 2.477 594 G HA2 0.635 4.596 3.960 0.002 0.000 0.304 594 G HA3 0.635 4.596 3.960 0.002 0.000 0.304 594 G C -1.054 173.919 174.900 0.122 0.000 1.175 594 G CA -0.422 44.691 45.100 0.022 0.000 0.907 594 G HN 0.738 nan 8.290 nan 0.000 0.509 595 A N -0.925 122.049 122.820 0.257 0.000 2.602 595 A HA 1.026 5.347 4.320 0.002 0.000 0.290 595 A C 0.227 178.129 177.584 0.530 0.000 1.114 595 A CA 0.404 52.668 52.037 0.378 0.000 0.683 595 A CB 0.797 19.948 19.000 0.252 0.000 1.281 595 A HN 2.827 nan 8.150 nan 0.000 0.416 596 A N -1.715 121.412 122.820 0.511 0.000 5.865 596 A HA 0.452 4.773 4.320 0.002 0.000 0.441 596 A C 1.103 179.018 177.584 0.552 0.000 1.559 596 A CA 1.309 53.699 52.037 0.589 0.000 0.547 596 A CB -1.830 17.607 19.000 0.727 0.000 2.441 596 A HN 3.128 nan 8.150 nan 0.000 0.448 597 G N -2.081 106.862 108.800 0.239 0.000 2.635 597 G HA2 0.612 4.573 3.960 0.002 0.000 0.194 597 G HA3 0.612 4.573 3.960 0.002 0.000 0.194 597 G C -0.667 174.107 174.900 -0.210 0.000 1.198 597 G CA -0.026 45.080 45.100 0.010 0.000 0.972 597 G HN 1.487 nan 8.290 nan 0.000 0.520 598 Y N 1.736 121.996 120.300 -0.067 0.000 2.632 598 Y HA 0.297 4.848 4.550 0.002 0.000 0.329 598 Y C 1.865 177.774 175.900 0.014 0.000 1.174 598 Y CA 0.820 58.914 58.100 -0.009 0.000 1.469 598 Y CB 1.133 39.593 38.460 0.001 0.000 1.242 598 Y HN 0.557 nan 8.280 nan 0.000 0.540 599 G N 2.384 111.292 108.800 0.180 0.000 2.422 599 G HA2 -0.278 3.683 3.960 0.002 0.000 0.218 599 G HA3 -0.278 3.683 3.960 0.002 0.000 0.218 599 G C 1.385 176.414 174.900 0.215 0.000 1.146 599 G CA 0.647 45.840 45.100 0.155 0.000 0.769 599 G HN 0.567 nan 8.290 nan 0.000 0.547 600 N N 0.193 119.046 118.700 0.254 0.000 2.520 600 N HA 0.038 4.779 4.740 0.002 0.000 0.185 600 N C 1.882 177.539 175.510 0.245 0.000 1.068 600 N CA 0.336 53.543 53.050 0.262 0.000 0.911 600 N CB -0.052 38.639 38.487 0.341 0.000 0.961 600 N HN 0.317 nan 8.380 nan 0.000 0.446 601 L N -1.653 119.689 121.223 0.199 0.000 2.567 601 L HA 0.227 4.568 4.340 0.002 0.000 0.225 601 L C 1.304 178.396 176.870 0.369 0.000 1.119 601 L CA 0.396 55.398 54.840 0.271 0.000 0.871 601 L CB 0.117 42.347 42.059 0.286 0.000 1.036 601 L HN 0.240 nan 8.230 nan 0.000 0.459 602 G N -0.884 108.110 108.800 0.322 0.000 2.229 602 G HA2 -0.236 3.725 3.960 0.002 0.000 0.189 602 G HA3 -0.236 3.725 3.960 0.002 0.000 0.189 602 G C 0.385 175.483 174.900 0.331 0.000 1.000 602 G CA 0.089 45.369 45.100 0.300 0.000 0.663 602 G HN 0.179 nan 8.290 nan 0.000 0.493 603 S N 0.202 116.132 115.700 0.383 0.000 2.498 603 S HA 0.471 4.942 4.470 0.002 0.000 0.281 603 S C 1.141 175.910 174.600 0.282 0.000 1.265 603 S CA 0.168 58.598 58.200 0.384 0.000 1.071 603 S CB 0.236 63.641 63.200 0.342 0.000 0.894 603 S HN 0.562 nan 8.310 nan 0.000 0.491 604 F N 5.511 125.551 119.950 0.149 0.000 2.094 604 F HA 0.228 4.756 4.527 0.001 0.000 0.291 604 F C 1.479 177.294 175.800 0.024 0.000 1.109 604 F CA 0.950 58.993 58.000 0.071 0.000 1.221 604 F CB -0.135 38.891 39.000 0.043 0.000 1.014 604 F HN 0.538 nan 8.300 nan 0.000 0.473 605 R N 1.233 121.796 120.500 0.106 0.000 2.442 605 R HA 0.343 4.684 4.340 0.002 0.000 0.291 605 R C -1.448 174.742 176.300 -0.183 0.000 1.069 605 R CA -0.078 55.995 56.100 -0.045 0.000 1.022 605 R CB 0.480 30.891 30.300 0.184 0.000 0.976 605 R HN 0.052 nan 8.270 nan 0.000 0.443 606 V N 5.926 125.504 119.914 -0.560 0.000 2.628 606 V HA 0.499 4.620 4.120 0.002 0.000 0.306 606 V C -0.879 174.547 176.094 -1.113 0.000 1.045 606 V CA -0.573 61.309 62.300 -0.697 0.000 0.905 606 V CB 1.721 33.043 31.823 -0.835 0.000 0.997 606 V HN 0.646 nan 8.190 nan 0.000 0.436 607 F N 1.099 120.715 119.950 -0.556 0.000 2.828 607 F HA 0.305 4.833 4.527 0.001 0.000 0.355 607 F C 0.447 175.563 175.800 -1.140 0.000 1.200 607 F CA -0.455 56.981 58.000 -0.939 0.000 1.062 607 F CB 1.915 40.172 39.000 -1.237 0.000 1.351 607 F HN 0.328 nan 8.300 nan 0.000 0.504 608 T N 2.340 116.511 114.554 -0.639 0.000 2.987 608 T HA 0.053 4.404 4.350 0.002 0.000 0.288 608 T C -0.226 174.218 174.700 -0.427 0.000 0.981 608 T CA -0.293 61.566 62.100 -0.401 0.000 1.031 608 T CB -0.423 68.478 68.868 0.055 0.000 0.976 608 T HN 0.303 nan 8.240 nan 0.000 0.612 609 W N 3.026 124.094 121.300 -0.386 0.000 2.193 609 W HA 0.269 4.930 4.660 0.001 0.000 0.338 609 W C 1.262 177.817 176.519 0.062 0.000 1.310 609 W CA -0.761 56.481 57.345 -0.172 0.000 1.243 609 W CB 0.229 29.565 29.460 -0.206 0.000 1.165 609 W HN 0.546 nan 8.180 nan 0.000 0.566 610 S N 1.578 117.429 115.700 0.251 0.000 2.634 610 S HA 0.203 4.674 4.470 0.002 0.000 0.261 610 S C -0.004 174.715 174.600 0.197 0.000 1.271 610 S CA -1.055 57.251 58.200 0.177 0.000 0.985 610 S CB 0.784 64.045 63.200 0.102 0.000 0.968 610 S HN 0.429 nan 8.310 nan 0.000 0.568 611 D N 2.685 123.158 120.400 0.123 0.000 2.382 611 D HA 0.287 4.928 4.640 0.002 0.000 0.240 611 D C -1.862 174.464 176.300 0.045 0.000 1.146 611 D CA -0.661 53.385 54.000 0.077 0.000 0.897 611 D CB 0.280 41.094 40.800 0.022 0.000 1.197 611 D HN 0.455 nan 8.370 nan 0.000 0.432 612 P HA 0.083 nan 4.420 nan 0.000 0.276 612 P C -0.535 176.727 177.300 -0.065 0.000 1.252 612 P CA -0.412 62.656 63.100 -0.054 0.000 0.802 612 P CB 0.911 32.489 31.700 -0.204 0.000 1.035 613 D N -1.067 119.306 120.400 -0.046 0.000 2.507 613 D HA 0.029 4.670 4.640 0.002 0.000 0.280 613 D C 1.230 177.495 176.300 -0.058 0.000 1.219 613 D CA -0.478 53.499 54.000 -0.039 0.000 1.085 613 D CB -0.342 40.450 40.800 -0.015 0.000 1.134 613 D HN 0.485 nan 8.370 nan 0.000 0.583 614 E N -0.893 119.282 120.200 -0.042 0.000 2.273 614 E HA -0.230 4.121 4.350 0.002 0.000 0.198 614 E C 0.514 177.088 176.600 -0.043 0.000 1.002 614 E CA 1.063 57.437 56.400 -0.044 0.000 0.828 614 E CB -0.519 29.164 29.700 -0.029 0.000 0.747 614 E HN 0.312 nan 8.360 nan 0.000 0.491 615 N N 0.118 118.797 118.700 -0.035 0.000 2.230 615 N HA 0.093 4.834 4.740 0.002 0.000 0.202 615 N C 0.835 176.332 175.510 -0.020 0.000 1.119 615 N CA 0.671 53.707 53.050 -0.024 0.000 0.851 615 N CB 1.440 39.919 38.487 -0.013 0.000 0.990 615 N HN 0.408 nan 8.380 nan 0.000 0.497 616 G N 0.991 109.761 108.800 -0.051 0.000 2.159 616 G HA2 -0.235 3.726 3.960 0.002 0.000 0.256 616 G HA3 -0.235 3.726 3.960 0.002 0.000 0.256 616 G C 0.035 174.962 174.900 0.046 0.000 0.977 616 G CA -0.260 44.817 45.100 -0.037 0.000 0.652 616 G HN 0.231 nan 8.290 nan 0.000 0.531 617 I N 1.320 121.892 120.570 0.004 0.000 2.474 617 I HA 0.471 4.642 4.170 0.002 0.000 0.287 617 I C 0.966 177.089 176.117 0.010 0.000 1.048 617 I CA -0.151 61.146 61.300 -0.004 0.000 1.383 617 I CB 0.907 38.903 38.000 -0.007 0.000 1.412 617 I HN 0.547 nan 8.210 nan 0.000 0.531 618 R N 3.139 123.639 120.500 -0.000 0.000 2.808 618 R HA 0.832 5.173 4.340 0.002 0.000 0.272 618 R C -0.878 175.513 176.300 0.152 0.000 0.995 618 R CA -0.771 55.372 56.100 0.071 0.000 0.917 618 R CB 2.048 32.410 30.300 0.102 0.000 1.217 618 R HN 0.627 nan 8.270 nan 0.000 0.471 619 T N -2.094 112.598 114.554 0.230 0.000 2.864 619 T HA 0.579 4.930 4.350 0.002 0.000 0.289 619 T C -2.890 171.835 174.700 0.041 0.000 1.082 619 T CA -2.521 59.728 62.100 0.247 0.000 1.009 619 T CB 2.040 70.981 68.868 0.122 0.000 1.234 619 T HN 0.370 nan 8.240 nan 0.000 0.526 620 P HA 0.330 nan 4.420 nan 0.000 0.276 620 P C 0.358 177.204 177.300 -0.756 0.000 1.243 620 P CA -0.324 62.194 63.100 -0.969 0.000 0.768 620 P CB 0.953 31.593 31.700 -1.767 0.000 0.856 621 V N 2.544 122.166 119.914 -0.487 0.000 3.125 621 V HA 0.069 4.190 4.120 0.002 0.000 0.249 621 V C 0.699 176.705 176.094 -0.147 0.000 1.113 621 V CA 1.199 63.380 62.300 -0.198 0.000 1.106 621 V CB -0.699 31.098 31.823 -0.043 0.000 0.768 621 V HN 0.742 nan 8.190 nan 0.000 0.468 622 H N -2.544 116.240 119.070 -0.476 0.000 2.967 622 H HA 0.616 5.173 4.556 0.002 0.000 0.318 622 H C -0.272 174.820 175.328 -0.393 0.000 1.375 622 H CA 0.099 56.000 56.048 -0.245 0.000 1.132 622 H CB 1.427 31.159 29.762 -0.050 0.000 1.848 622 H HN 0.212 nan 8.280 nan 0.000 0.524 623 G N 0.758 108.998 108.800 -0.932 0.000 2.236 623 G HA2 -0.018 3.943 3.960 0.002 0.000 0.231 623 G HA3 -0.018 3.943 3.960 0.002 0.000 0.231 623 G C -1.229 173.460 174.900 -0.351 0.000 1.334 623 G CA -0.453 44.133 45.100 -0.856 0.000 1.137 623 G HN 0.710 nan 8.290 nan 0.000 0.482 624 E N 1.454 121.360 120.200 -0.491 0.000 2.652 624 E HA 0.255 4.606 4.350 0.002 0.000 0.255 624 E C 1.160 177.739 176.600 -0.035 0.000 0.952 624 E CA 1.279 57.543 56.400 -0.227 0.000 0.947 624 E CB 0.949 30.373 29.700 -0.459 0.000 0.912 624 E HN 0.872 nan 8.360 nan 0.000 0.489 625 T N -0.428 114.045 114.554 -0.136 0.000 3.212 625 T HA 0.077 4.428 4.350 0.002 0.000 0.157 625 T C 0.251 174.792 174.700 -0.264 0.000 0.908 625 T CA -0.673 61.218 62.100 -0.348 0.000 0.954 625 T CB 0.014 68.868 68.868 -0.023 0.000 1.709 625 T HN 0.596 nan 8.240 nan 0.000 0.335 626 W N 3.171 124.229 121.300 -0.404 0.000 2.322 626 W HA 0.589 5.250 4.660 0.001 0.000 0.307 626 W C -1.912 174.427 176.519 -0.301 0.000 1.220 626 W CA -0.706 56.401 57.345 -0.397 0.000 1.210 626 W CB 0.997 30.096 29.460 -0.602 0.000 1.223 626 W HN 0.299 nan 8.180 nan 0.000 0.511 627 V N 6.338 125.775 119.914 -0.795 0.000 2.569 627 V HA 0.746 4.867 4.120 0.002 0.000 0.301 627 V C -0.037 175.625 176.094 -0.720 0.000 1.044 627 V CA -0.651 61.294 62.300 -0.591 0.000 0.874 627 V CB 0.644 32.409 31.823 -0.097 0.000 1.002 627 V HN 0.723 nan 8.190 nan 0.000 0.424 631 E N 5.104 124.985 120.200 -0.533 0.000 2.145 631 E HA 0.481 4.832 4.350 0.002 0.000 0.270 631 E C -1.142 175.175 176.600 -0.472 0.000 0.906 631 E CA -0.543 55.621 56.400 -0.393 0.000 0.761 631 E CB 0.803 30.369 29.700 -0.224 0.000 1.116 631 E HN 0.473 nan 8.360 nan 0.000 0.408 632 F N 3.971 123.834 119.950 -0.144 0.000 2.705 632 F HA 0.091 4.618 4.527 0.001 0.000 0.355 632 F C 0.902 176.657 175.800 -0.075 0.000 1.172 632 F CA -0.303 57.634 58.000 -0.105 0.000 1.332 632 F CB -0.133 38.801 39.000 -0.110 0.000 1.621 632 F HN 0.328 nan 8.300 nan 0.000 0.605 633 S N -1.224 114.475 115.700 -0.001 0.000 2.598 633 S HA 0.504 4.975 4.470 0.002 0.000 0.267 633 S C 0.190 174.805 174.600 0.025 0.000 1.189 633 S CA -0.701 57.501 58.200 0.005 0.000 1.010 633 S CB 1.023 64.204 63.200 -0.031 0.000 1.084 633 S HN 0.135 nan 8.310 nan 0.000 0.541 634 T N 2.698 117.262 114.554 0.016 0.000 2.963 634 T HA 0.508 4.858 4.350 0.002 0.000 0.328 634 T C -2.278 172.429 174.700 0.012 0.000 1.048 634 T CA -0.816 61.299 62.100 0.025 0.000 1.033 634 T CB 0.928 69.815 68.868 0.032 0.000 1.010 634 T HN 0.674 nan 8.240 nan 0.000 0.469 635 P HA 0.423 nan 4.420 nan 0.000 0.274 635 P C 0.130 177.420 177.300 -0.016 0.000 1.256 635 P CA -0.604 62.501 63.100 0.010 0.000 0.795 635 P CB 0.545 32.248 31.700 0.004 0.000 1.038 636 V N -1.193 118.709 119.914 -0.020 0.000 3.096 636 V HA 0.350 4.471 4.120 0.002 0.000 0.306 636 V C 0.349 176.351 176.094 -0.154 0.000 1.088 636 V CA -0.440 61.795 62.300 -0.109 0.000 1.129 636 V CB 0.143 31.877 31.823 -0.149 0.000 1.014 636 V HN 0.526 nan 8.190 nan 0.000 0.486 637 R N 2.004 122.368 120.500 -0.227 0.000 2.513 637 R HA 0.772 5.113 4.340 0.002 0.000 0.301 637 R C -0.786 175.327 176.300 -0.312 0.000 0.968 637 R CA -0.174 55.798 56.100 -0.212 0.000 0.872 637 R CB 1.887 32.135 30.300 -0.087 0.000 1.177 637 R HN 1.159 nan 8.270 nan 0.000 0.444 638 A N 3.414 125.987 122.820 -0.412 0.000 2.515 638 A HA 0.698 5.019 4.320 0.002 0.000 0.298 638 A C -1.926 175.339 177.584 -0.532 0.000 1.059 638 A CA -0.531 51.247 52.037 -0.431 0.000 0.698 638 A CB 1.302 19.944 19.000 -0.597 0.000 1.289 638 A HN 0.633 nan 8.150 nan 0.000 0.404 639 Y N -0.161 120.064 120.300 -0.125 0.000 2.545 639 Y HA 0.751 5.302 4.550 0.001 0.000 0.348 639 Y C 0.732 176.674 175.900 0.070 0.000 1.002 639 Y CA 0.059 58.165 58.100 0.010 0.000 1.039 639 Y CB 2.919 41.392 38.460 0.022 0.000 1.271 639 Y HN 1.167 nan 8.280 nan 0.000 0.467 640 G N 1.362 110.348 108.800 0.310 0.000 2.608 640 G HA2 0.730 4.691 3.960 0.002 0.000 0.291 640 G HA3 0.730 4.691 3.960 0.002 0.000 0.291 640 G C -2.170 172.656 174.900 -0.122 0.000 1.425 640 G CA -0.722 44.419 45.100 0.067 0.000 0.787 640 G HN 0.576 nan 8.290 nan 0.000 0.484 644 Y N 2.760 122.723 120.300 -0.563 0.000 2.596 644 Y HA 0.638 5.189 4.550 0.002 0.000 0.316 644 Y C 0.991 176.757 175.900 -0.224 0.000 1.156 644 Y CA -0.876 56.931 58.100 -0.488 0.000 1.300 644 Y CB -1.010 37.212 38.460 -0.396 0.000 1.130 644 Y HN 0.525 nan 8.280 nan 0.000 0.518 645 G N 1.491 110.301 108.800 0.016 0.000 2.804 645 G HA2 -0.376 3.585 3.960 0.002 0.000 0.230 645 G HA3 -0.376 3.585 3.960 0.002 0.000 0.230 645 G C 0.043 175.085 174.900 0.237 0.000 1.386 645 G CA 0.115 45.289 45.100 0.125 0.000 0.875 645 G HN 0.454 nan 8.290 nan 0.000 0.557 646 N N -0.280 118.542 118.700 0.204 0.000 2.235 646 N HA 0.421 5.162 4.740 0.002 0.000 0.209 646 N C 0.103 175.804 175.510 0.318 0.000 1.122 646 N CA 1.124 54.300 53.050 0.211 0.000 0.845 646 N CB 0.375 38.881 38.487 0.032 0.000 1.004 646 N HN 0.900 nan 8.380 nan 0.000 0.499 647 S N -1.020 114.855 115.700 0.291 0.000 2.537 647 S HA 0.458 4.929 4.470 0.002 0.000 0.271 647 S C -0.555 174.127 174.600 0.136 0.000 1.148 647 S CA -0.649 57.673 58.200 0.203 0.000 0.868 647 S CB 0.838 64.160 63.200 0.205 0.000 1.115 647 S HN 0.196 nan 8.310 nan 0.000 0.461 648 R N 1.150 121.636 120.500 -0.023 0.000 2.600 648 R HA 0.244 4.585 4.340 0.002 0.000 0.392 648 R C -0.334 175.852 176.300 -0.190 0.000 1.032 648 R CA -0.456 55.520 56.100 -0.207 0.000 1.139 648 R CB 0.680 30.829 30.300 -0.251 0.000 1.400 648 R HN 0.536 nan 8.270 nan 0.000 0.566 649 Q N 1.671 121.409 119.800 -0.104 0.000 2.332 649 Q HA 0.176 4.517 4.340 0.002 0.000 0.263 649 Q C -2.296 173.646 176.000 -0.096 0.000 0.979 649 Q CA -1.775 53.973 55.803 -0.091 0.000 0.885 649 Q CB 0.655 29.361 28.738 -0.054 0.000 1.218 649 Q HN -0.063 nan 8.270 nan 0.000 0.405 650 P HA -0.076 nan 4.420 nan 0.000 0.261 650 P C 0.551 177.816 177.300 -0.058 0.000 1.173 650 P CA 1.207 64.258 63.100 -0.082 0.000 0.760 650 P CB 0.279 31.939 31.700 -0.066 0.000 0.783 651 G N 1.569 110.339 108.800 -0.051 0.000 2.184 651 G HA2 -0.267 3.694 3.960 0.002 0.000 0.264 651 G HA3 -0.267 3.694 3.960 0.002 0.000 0.264 651 G C 0.549 175.428 174.900 -0.035 0.000 0.975 651 G CA 0.361 45.441 45.100 -0.034 0.000 0.642 651 G HN 0.778 nan 8.290 nan 0.000 0.536 652 T N 0.591 115.125 114.554 -0.034 0.000 2.918 652 T HA 0.452 4.803 4.350 0.002 0.000 0.302 652 T C 1.954 176.622 174.700 -0.053 0.000 1.045 652 T CA 1.319 63.397 62.100 -0.037 0.000 1.114 652 T CB 0.673 69.551 68.868 0.016 0.000 0.965 652 T HN 0.844 nan 8.240 nan 0.000 0.540 653 T N 1.098 115.531 114.554 -0.202 0.000 3.107 653 T HA 0.107 4.458 4.350 0.002 0.000 0.249 653 T C 0.638 175.213 174.700 -0.209 0.000 1.096 653 T CA 0.209 62.173 62.100 -0.225 0.000 1.012 653 T CB -0.160 68.518 68.868 -0.316 0.000 0.977 653 T HN 0.698 nan 8.240 nan 0.000 0.527 654 H N 0.125 119.259 119.070 0.107 0.000 2.533 654 H HA 0.340 4.897 4.556 0.002 0.000 0.281 654 H C -0.167 175.273 175.328 0.187 0.000 1.238 654 H CA -0.807 55.311 56.048 0.116 0.000 1.024 654 H CB -0.020 29.803 29.762 0.101 0.000 1.604 654 H HN 0.438 nan 8.280 nan 0.000 0.531 655 Y N 1.115 121.484 120.300 0.115 0.000 2.736 655 Y HA 0.041 4.592 4.550 0.002 0.000 0.272 655 Y C 1.783 177.729 175.900 0.077 0.000 1.118 655 Y CA 0.814 58.969 58.100 0.092 0.000 1.248 655 Y CB 0.462 38.955 38.460 0.056 0.000 1.437 655 Y HN 0.115 nan 8.280 nan 0.000 0.481 656 S N -0.268 115.419 115.700 -0.023 0.000 2.572 656 S HA 0.076 4.547 4.470 0.002 0.000 0.228 656 S C 0.570 175.147 174.600 -0.038 0.000 0.963 656 S CA 0.153 58.278 58.200 -0.125 0.000 0.939 656 S CB -0.369 62.813 63.200 -0.030 0.000 0.804 656 S HN 0.573 nan 8.310 nan 0.000 0.480 657 D N 0.939 121.349 120.400 0.017 0.000 2.319 657 D HA 0.045 4.686 4.640 0.002 0.000 0.230 657 D C 1.066 177.370 176.300 0.006 0.000 1.094 657 D CA 0.090 54.112 54.000 0.038 0.000 0.856 657 D CB -0.058 40.810 40.800 0.113 0.000 0.915 657 D HN 0.521 nan 8.370 nan 0.000 0.517 658 Q N -0.830 118.943 119.800 -0.045 0.000 2.254 658 Q HA 0.178 4.519 4.340 0.002 0.000 0.259 658 Q C 1.510 177.443 176.000 -0.111 0.000 0.815 658 Q CA -0.333 55.423 55.803 -0.079 0.000 0.961 658 Q CB 0.517 29.195 28.738 -0.098 0.000 1.140 658 Q HN 0.078 nan 8.270 nan 0.000 0.502 659 I N 2.119 122.621 120.570 -0.112 0.000 2.454 659 I HA -0.237 3.933 4.170 0.002 0.000 0.254 659 I C 2.221 178.305 176.117 -0.054 0.000 1.156 659 I CA 1.499 62.744 61.300 -0.091 0.000 1.433 659 I CB 0.005 37.960 38.000 -0.075 0.000 1.082 659 I HN 0.158 nan 8.210 nan 0.000 0.432 660 E N 0.883 121.056 120.200 -0.045 0.000 2.106 660 E HA -0.213 4.137 4.350 0.002 0.000 0.192 660 E C 2.319 178.895 176.600 -0.041 0.000 0.984 660 E CA 1.173 57.554 56.400 -0.030 0.000 0.806 660 E CB -0.067 29.623 29.700 -0.017 0.000 0.750 660 E HN 0.517 nan 8.360 nan 0.000 0.458 661 R N -0.130 120.333 120.500 -0.061 0.000 2.115 661 R HA -0.029 4.312 4.340 0.002 0.000 0.226 661 R C 2.513 178.742 176.300 -0.119 0.000 1.100 661 R CA 0.997 57.050 56.100 -0.079 0.000 0.980 661 R CB -0.132 30.111 30.300 -0.094 0.000 0.875 661 R HN 0.047 nan 8.270 nan 0.000 0.445 662 V N 1.285 121.118 119.914 -0.134 0.000 2.407 662 V HA -0.245 3.876 4.120 0.002 0.000 0.248 662 V C 2.373 178.434 176.094 -0.055 0.000 1.055 662 V CA 2.168 64.395 62.300 -0.121 0.000 1.049 662 V CB -0.514 31.274 31.823 -0.059 0.000 0.662 662 V HN 0.446 nan 8.190 nan 0.000 0.455 663 S N 0.090 115.762 115.700 -0.047 0.000 2.474 663 S HA -0.124 4.346 4.470 0.002 0.000 0.235 663 S C 1.783 176.363 174.600 -0.032 0.000 0.997 663 S CA 1.043 59.221 58.200 -0.037 0.000 0.949 663 S CB -0.301 62.884 63.200 -0.025 0.000 0.766 663 S HN 0.644 nan 8.310 nan 0.000 0.517 664 R N 0.165 120.638 120.500 -0.046 0.000 2.508 664 R HA 0.499 4.840 4.340 0.002 0.000 0.300 664 R C 0.763 177.015 176.300 -0.081 0.000 0.970 664 R CA 0.382 56.457 56.100 -0.042 0.000 1.102 664 R CB 0.329 30.618 30.300 -0.018 0.000 1.246 664 R HN 0.410 nan 8.270 nan 0.000 0.539 665 A N 2.084 124.827 122.820 -0.129 0.000 2.783 665 A HA -0.205 4.116 4.320 0.002 0.000 0.292 665 A C -0.142 177.510 177.584 0.113 0.000 1.495 665 A CA 1.233 53.163 52.037 -0.178 0.000 0.787 665 A CB -1.559 16.940 19.000 -0.835 0.000 1.017 665 A HN 0.392 nan 8.150 nan 0.000 0.516 666 D N -0.114 120.327 120.400 0.069 0.000 2.479 666 D HA 0.507 5.148 4.640 0.002 0.000 0.218 666 D C -0.220 176.165 176.300 0.141 0.000 1.131 666 D CA -0.242 53.833 54.000 0.126 0.000 0.916 666 D CB -0.367 40.461 40.800 0.045 0.000 1.022 666 D HN 0.195 nan 8.370 nan 0.000 0.515 667 F N 2.019 122.000 119.950 0.053 0.000 2.418 667 F HA 0.316 4.843 4.527 0.001 0.000 0.341 667 F C 1.653 177.558 175.800 0.175 0.000 1.120 667 F CA -0.265 57.798 58.000 0.104 0.000 1.232 667 F CB 0.701 39.788 39.000 0.146 0.000 1.175 667 F HN 0.006 nan 8.300 nan 0.000 0.569 668 R N 1.211 121.852 120.500 0.235 0.000 2.459 668 R HA 0.210 4.551 4.340 0.002 0.000 0.281 668 R C -0.234 176.154 176.300 0.146 0.000 1.050 668 R CA -0.758 55.442 56.100 0.167 0.000 1.055 668 R CB 0.811 31.155 30.300 0.074 0.000 1.045 668 R HN 0.632 nan 8.270 nan 0.000 0.495 669 E N 3.533 123.724 120.200 -0.014 0.000 2.289 669 E HA 0.082 4.433 4.350 0.002 0.000 0.278 669 E C -0.737 175.708 176.600 -0.259 0.000 1.032 669 E CA -0.423 55.720 56.400 -0.428 0.000 0.854 669 E CB 0.671 30.128 29.700 -0.404 0.000 1.046 669 E HN 0.372 nan 8.360 nan 0.000 0.409 670 L N 5.639 126.672 121.223 -0.317 0.000 2.360 670 L HA 0.191 4.532 4.340 0.002 0.000 0.276 670 L C -0.141 176.520 176.870 -0.350 0.000 1.121 670 L CA -0.410 54.267 54.840 -0.271 0.000 0.845 670 L CB 0.330 42.225 42.059 -0.272 0.000 1.143 670 L HN 0.517 nan 8.230 nan 0.000 0.452 671 L N 5.053 126.107 121.223 -0.281 0.000 2.255 671 L HA 0.242 4.583 4.340 0.002 0.000 0.289 671 L C 0.809 177.512 176.870 -0.278 0.000 1.046 671 L CA -0.261 54.459 54.840 -0.200 0.000 0.816 671 L CB 1.090 43.114 42.059 -0.058 0.000 1.197 671 L HN 0.658 nan 8.230 nan 0.000 0.427 672 L N 1.991 123.064 121.223 -0.251 0.000 2.500 672 L HA 0.243 4.584 4.340 0.002 0.000 0.219 672 L C 1.111 178.004 176.870 0.039 0.000 1.057 672 L CA 0.216 54.923 54.840 -0.222 0.000 0.854 672 L CB -0.009 41.943 42.059 -0.179 0.000 1.078 672 L HN 0.640 nan 8.230 nan 0.000 0.480 673 R N 0.688 121.197 120.500 0.015 0.000 2.438 673 R HA 0.065 4.406 4.340 0.002 0.000 0.287 673 R C 0.978 177.318 176.300 0.066 0.000 1.077 673 R CA -0.300 55.828 56.100 0.048 0.000 1.034 673 R CB 1.194 31.505 30.300 0.018 0.000 0.993 673 R HN -0.052 nan 8.270 nan 0.000 0.459 674 R N 2.741 123.285 120.500 0.073 0.000 2.113 674 R HA -0.237 4.104 4.340 0.002 0.000 0.244 674 R C 1.126 177.453 176.300 0.046 0.000 1.142 674 R CA 2.186 58.323 56.100 0.063 0.000 0.953 674 R CB -0.113 30.213 30.300 0.043 0.000 0.860 674 R HN 0.721 nan 8.270 nan 0.000 0.438 675 E N -0.264 119.956 120.200 0.033 0.000 2.118 675 E HA -0.253 4.098 4.350 0.002 0.000 0.195 675 E C 2.181 178.795 176.600 0.024 0.000 0.992 675 E CA 1.578 57.993 56.400 0.025 0.000 0.804 675 E CB -0.105 29.606 29.700 0.019 0.000 0.741 675 E HN 0.557 nan 8.360 nan 0.000 0.458 676 Q N 0.245 120.058 119.800 0.021 0.000 2.079 676 Q HA -0.124 4.217 4.340 0.002 0.000 0.200 676 Q C 2.437 178.454 176.000 0.027 0.000 0.974 676 Q CA 1.283 57.094 55.803 0.013 0.000 0.840 676 Q CB 0.013 28.747 28.738 -0.008 0.000 0.898 676 Q HN 0.155 nan 8.270 nan 0.000 0.430 677 V N 1.288 121.231 119.914 0.048 0.000 2.261 677 V HA -0.271 3.850 4.120 0.002 0.000 0.246 677 V C 1.922 178.047 176.094 0.053 0.000 1.047 677 V CA 2.024 64.365 62.300 0.068 0.000 1.015 677 V CB -0.551 31.337 31.823 0.108 0.000 0.642 677 V HN 0.350 nan 8.190 nan 0.000 0.446 678 E N -0.028 120.199 120.200 0.044 0.000 2.160 678 E HA -0.202 4.149 4.350 0.002 0.000 0.195 678 E C 2.229 178.848 176.600 0.031 0.000 0.991 678 E CA 1.236 57.657 56.400 0.036 0.000 0.810 678 E CB -0.269 29.449 29.700 0.030 0.000 0.742 678 E HN 0.623 nan 8.360 nan 0.000 0.466 679 A N 0.623 123.460 122.820 0.029 0.000 1.968 679 A HA 0.078 4.399 4.320 0.002 0.000 0.217 679 A C 2.116 179.716 177.584 0.028 0.000 1.169 679 A CA 1.284 53.337 52.037 0.025 0.000 0.638 679 A CB -0.018 18.995 19.000 0.021 0.000 0.812 679 A HN 0.251 nan 8.150 nan 0.000 0.446 680 A N -0.830 122.009 122.820 0.031 0.000 2.348 680 A HA 0.457 4.778 4.320 0.002 0.000 0.224 680 A C 0.832 178.438 177.584 0.037 0.000 1.227 680 A CA 0.214 52.271 52.037 0.033 0.000 0.885 680 A CB -0.481 18.538 19.000 0.031 0.000 0.933 680 A HN 0.599 nan 8.150 nan 0.000 0.506 681 V N 0.707 120.645 119.914 0.039 0.000 2.540 681 V HA 0.048 4.169 4.120 0.002 0.000 0.297 681 V C 0.658 176.778 176.094 0.042 0.000 1.024 681 V CA 0.549 62.874 62.300 0.042 0.000 1.105 681 V CB 0.862 32.711 31.823 0.043 0.000 0.938 681 V HN 0.588 nan 8.190 nan 0.000 0.482 682 Q N 4.384 124.212 119.800 0.047 0.000 2.316 682 Q HA 0.361 4.702 4.340 0.002 0.000 0.235 682 Q C 0.224 176.258 176.000 0.057 0.000 0.863 682 Q CA 0.296 56.131 55.803 0.054 0.000 0.939 682 Q CB 1.122 29.901 28.738 0.067 0.000 1.108 682 Q HN 0.905 nan 8.270 nan 0.000 0.522 683 E N 0.260 120.493 120.200 0.056 0.000 2.321 683 E HA 0.350 4.701 4.350 0.002 0.000 0.281 683 E C -1.202 175.432 176.600 0.056 0.000 0.910 683 E CA -0.285 56.149 56.400 0.057 0.000 0.770 683 E CB 1.727 31.467 29.700 0.067 0.000 1.225 683 E HN -0.111 nan 8.360 nan 0.000 0.417 684 R N 2.110 122.643 120.500 0.055 0.000 2.393 684 R HA 0.401 4.742 4.340 0.002 0.000 0.315 684 R C -1.109 175.233 176.300 0.071 0.000 0.952 684 R CA -0.521 55.616 56.100 0.061 0.000 0.842 684 R CB 2.039 32.368 30.300 0.050 0.000 1.163 684 R HN 0.340 nan 8.270 nan 0.000 0.450 685 T N 5.454 120.065 114.554 0.096 0.000 3.060 685 T HA 0.258 4.609 4.350 0.002 0.000 0.367 685 T C -1.941 172.877 174.700 0.197 0.000 1.229 685 T CA -1.213 60.959 62.100 0.119 0.000 1.104 685 T CB 1.040 69.968 68.868 0.100 0.000 1.083 685 T HN 0.408 nan 8.240 nan 0.000 0.524 686 P HA 0.551 nan 4.420 nan 0.000 0.274 686 P C -0.870 176.567 177.300 0.228 0.000 1.231 686 P CA -0.462 62.713 63.100 0.125 0.000 0.790 686 P CB 0.711 32.435 31.700 0.040 0.000 0.951 687 F N -1.008 118.956 119.950 0.024 0.000 2.715 687 F HA 0.663 5.191 4.527 0.002 0.000 0.318 687 F C -1.302 174.528 175.800 0.050 0.000 1.141 687 F CA -1.074 56.948 58.000 0.036 0.000 0.950 687 F CB 1.512 40.533 39.000 0.035 0.000 1.374 687 F HN 0.075 nan 8.300 nan 0.000 0.477 688 N N 0.926 119.765 118.700 0.232 0.000 2.369 688 N HA 0.437 5.178 4.740 0.002 0.000 0.287 688 N C -2.071 173.627 175.510 0.313 0.000 1.067 688 N CA -0.246 52.883 53.050 0.132 0.000 0.888 688 N CB 2.720 41.237 38.487 0.051 0.000 1.616 688 N HN 0.702 nan 8.380 nan 0.000 0.482 689 F N 0.000 120.022 119.950 0.120 0.000 2.286 689 F HA 0.000 4.528 4.527 0.001 0.000 0.279 689 F CA 0.000 58.069 58.000 0.116 0.000 1.383 689 F CB 0.000 39.095 39.000 0.158 0.000 1.145 689 F HN 0.000 nan 8.300 nan 0.000 0.574