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 1cru_1_A DATA FIRST_RESID 1 DATA SEQUENCE DVPLTPSQFA KAKSENFDKK VILSNLNKPH ALLWGPDNQI WLTERATGKI DATA SEQUENCE LRVNPESGSV KTVFQVPEIV NDADGQNGLL GFAFHPDFKN NPYIYISGTF DATA SEQUENCE KNPKSXXKEL PNQTIIRRYT YNKSTDTLEK PVDLLAGLPS SKDHQSGRLV DATA SEQUENCE IGPDQKIYYT IGDQGRNQLA YLFLPNQAQH TPTQQELNGK DYHTYMGKVL DATA SEQUENCE RLNLDGSIPK DNPSFNGVVS HIYTLGHRNP QGLAFTPNGK LLQSEQGPNS DATA SEQUENCE DDEINLIVKG GNYGWPNVAG YKDDSGYAYA NYSAAANKSI KDLAQNGVKV DATA SEQUENCE AAGVPVTKES EWTGKNFVPP LKTLYTVQDT YNYNDPTCGE MTYICWPTVA DATA SEQUENCE PSSAYVYKGG KKAITGWENT LLVPSLKRGV IFRIKLDPTY STTYDDAVPM DATA SEQUENCE FKSNNRYRDV IASPDGNVLY VLTDTAGNVQ KDDGSVTNTL ENPGSLIKFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.441 176.300 0.235 0.000 2.045 1 D CA 0.000 54.121 54.000 0.203 0.000 0.868 1 D CB 0.000 40.923 40.800 0.205 0.000 0.688 2 V N 1.842 121.812 119.914 0.093 0.000 2.546 2 V HA 0.393 4.512 4.120 -0.000 0.000 0.284 2 V C -1.938 173.930 176.094 -0.377 0.000 1.050 2 V CA -1.167 61.101 62.300 -0.053 0.000 0.981 2 V CB 1.058 32.849 31.823 -0.053 0.000 0.990 2 V HN 0.418 nan 8.190 nan 0.000 0.474 3 P HA 0.159 nan 4.420 nan 0.000 0.268 3 P C -0.396 176.510 177.300 -0.656 0.000 1.205 3 P CA -0.024 62.346 63.100 -1.217 0.000 0.771 3 P CB 0.412 31.805 31.700 -0.510 0.000 0.858 4 L N 1.613 122.453 121.223 -0.638 0.000 2.439 4 L HA 0.321 4.661 4.340 -0.000 0.000 0.261 4 L C 1.383 178.152 176.870 -0.169 0.000 1.153 4 L CA -0.378 54.213 54.840 -0.415 0.000 0.808 4 L CB 0.468 42.054 42.059 -0.788 0.000 1.126 4 L HN 0.434 nan 8.230 nan 0.000 0.460 5 T N -1.945 112.542 114.554 -0.112 0.000 2.847 5 T HA 0.278 4.628 4.350 -0.000 0.000 0.279 5 T C -1.986 172.813 174.700 0.165 0.000 0.984 5 T CA -1.796 60.330 62.100 0.043 0.000 0.988 5 T CB 1.407 70.282 68.868 0.011 0.000 1.040 5 T HN 0.317 nan 8.240 nan 0.000 0.528 6 P HA -0.109 nan 4.420 nan 0.000 0.216 6 P C 1.887 179.288 177.300 0.169 0.000 1.150 6 P CA 1.104 64.344 63.100 0.234 0.000 0.837 6 P CB -0.085 31.692 31.700 0.128 0.000 0.786 7 S N -1.017 114.736 115.700 0.088 0.000 2.383 7 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 7 S C 1.990 176.608 174.600 0.030 0.000 1.026 7 S CA 1.270 59.500 58.200 0.051 0.000 0.981 7 S CB -0.712 62.502 63.200 0.023 0.000 0.818 7 S HN 0.157 nan 8.310 nan 0.000 0.472 8 Q N -0.748 119.042 119.800 -0.017 0.000 2.079 8 Q HA -0.019 4.320 4.340 -0.000 0.000 0.200 8 Q C 1.812 177.753 176.000 -0.098 0.000 0.974 8 Q CA 1.621 57.363 55.803 -0.101 0.000 0.840 8 Q CB -0.252 28.362 28.738 -0.206 0.000 0.898 8 Q HN 0.643 nan 8.270 nan 0.000 0.430 9 F N 0.376 120.341 119.950 0.023 0.000 2.146 9 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 9 F C 2.396 178.194 175.800 -0.004 0.000 1.096 9 F CA 0.716 58.725 58.000 0.014 0.000 1.275 9 F CB -0.208 38.811 39.000 0.033 0.000 1.008 9 F HN 0.089 nan 8.300 nan 0.000 0.480 10 A N 0.795 123.728 122.820 0.188 0.000 1.978 10 A HA -0.245 4.074 4.320 -0.000 0.000 0.220 10 A C 2.071 179.694 177.584 0.064 0.000 1.170 10 A CA 1.938 54.038 52.037 0.106 0.000 0.636 10 A CB -0.764 18.282 19.000 0.078 0.000 0.810 10 A HN 0.533 nan 8.150 nan 0.000 0.448 11 K N -0.578 119.847 120.400 0.042 0.000 2.459 11 K HA 0.359 4.678 4.320 -0.000 0.000 0.193 11 K C 0.776 177.377 176.600 0.001 0.000 1.030 11 K CA 0.748 57.045 56.287 0.016 0.000 1.026 11 K CB -0.179 32.321 32.500 0.000 0.000 0.809 11 K HN 0.211 nan 8.250 nan 0.000 0.504 12 A N 2.234 125.055 122.820 0.002 0.000 3.077 12 A HA 0.136 4.456 4.320 -0.000 0.000 0.255 12 A C 0.563 178.114 177.584 -0.056 0.000 1.728 12 A CA -0.461 51.550 52.037 -0.045 0.000 1.383 12 A CB -0.088 18.880 19.000 -0.053 0.000 1.097 12 A HN 0.114 nan 8.150 nan 0.000 0.634 13 K N 0.300 120.685 120.400 -0.025 0.000 2.400 13 K HA 0.073 4.393 4.320 -0.000 0.000 0.194 13 K C 0.402 176.998 176.600 -0.006 0.000 1.033 13 K CA 0.430 56.722 56.287 0.008 0.000 1.021 13 K CB 0.043 32.571 32.500 0.046 0.000 0.808 13 K HN 0.562 nan 8.250 nan 0.000 0.505 14 S N 1.735 117.391 115.700 -0.073 0.000 3.572 14 S HA -0.132 4.338 4.470 -0.000 0.000 0.394 14 S C 0.429 175.122 174.600 0.155 0.000 0.923 14 S CA 0.536 58.703 58.200 -0.055 0.000 1.291 14 S CB -1.335 61.563 63.200 -0.504 0.000 0.914 14 S HN 0.427 nan 8.310 nan 0.000 0.545 15 E N 0.746 121.015 120.200 0.116 0.000 2.512 15 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 15 E C 1.426 178.097 176.600 0.119 0.000 1.083 15 E CA 0.341 56.818 56.400 0.128 0.000 0.873 15 E CB -0.024 29.723 29.700 0.079 0.000 0.897 15 E HN 0.789 nan 8.360 nan 0.000 0.514 16 N N 0.135 118.913 118.700 0.131 0.000 2.322 16 N HA -0.013 4.727 4.740 -0.000 0.000 0.194 16 N C -0.508 174.933 175.510 -0.116 0.000 1.126 16 N CA 0.167 53.209 53.050 -0.012 0.000 0.845 16 N CB 0.090 38.523 38.487 -0.090 0.000 0.976 16 N HN -0.042 nan 8.380 nan 0.000 0.475 17 F N 0.327 120.348 119.950 0.119 0.000 2.551 17 F HA 0.380 4.906 4.527 -0.000 0.000 0.316 17 F C -0.208 175.713 175.800 0.202 0.000 1.089 17 F CA -1.151 56.965 58.000 0.193 0.000 0.915 17 F CB 1.610 40.847 39.000 0.394 0.000 1.186 17 F HN -0.244 nan 8.300 nan 0.000 0.456 18 D N 2.100 122.701 120.400 0.335 0.000 2.198 18 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 18 D C -0.516 175.920 176.300 0.228 0.000 1.079 18 D CA -0.386 53.748 54.000 0.224 0.000 0.854 18 D CB 1.814 42.681 40.800 0.112 0.000 1.148 18 D HN 0.374 nan 8.370 nan 0.000 0.456 19 K N 1.850 122.350 120.400 0.167 0.000 2.159 19 K HA 0.429 4.749 4.320 -0.000 0.000 0.266 19 K C -0.797 175.752 176.600 -0.085 0.000 0.975 19 K CA -0.713 55.565 56.287 -0.016 0.000 0.865 19 K CB 1.018 33.573 32.500 0.092 0.000 1.087 19 K HN 0.155 nan 8.250 nan 0.000 0.446 20 K N 2.936 123.218 120.400 -0.197 0.000 2.553 20 K HA 0.221 4.541 4.320 -0.000 0.000 0.250 20 K C -1.781 174.729 176.600 -0.150 0.000 0.953 20 K CA -0.662 55.553 56.287 -0.120 0.000 0.800 20 K CB 1.887 34.346 32.500 -0.067 0.000 1.243 20 K HN 0.293 nan 8.250 nan 0.000 0.435 21 V N 7.063 126.919 119.914 -0.096 0.000 2.455 21 V HA 0.195 4.315 4.120 -0.000 0.000 0.273 21 V C 1.274 177.340 176.094 -0.045 0.000 1.045 21 V CA -0.090 62.163 62.300 -0.079 0.000 0.976 21 V CB 0.654 32.446 31.823 -0.052 0.000 0.993 21 V HN 0.809 nan 8.190 nan 0.000 0.475 22 I N 4.458 125.009 120.570 -0.031 0.000 2.385 22 I HA 0.130 4.300 4.170 -0.000 0.000 0.244 22 I C 0.362 176.470 176.117 -0.016 0.000 1.089 22 I CA 1.020 62.316 61.300 -0.007 0.000 1.410 22 I CB 0.183 38.199 38.000 0.026 0.000 1.117 22 I HN 0.364 nan 8.210 nan 0.000 0.429 23 L N -0.153 121.059 121.223 -0.018 0.000 2.401 23 L HA 0.320 4.660 4.340 -0.000 0.000 0.266 23 L C 0.218 177.076 176.870 -0.020 0.000 0.991 23 L CA -0.218 54.609 54.840 -0.022 0.000 0.818 23 L CB 2.085 44.129 42.059 -0.026 0.000 1.321 23 L HN 0.010 nan 8.230 nan 0.000 0.413 24 S N -1.407 114.281 115.700 -0.020 0.000 2.787 24 S HA 0.056 4.526 4.470 -0.000 0.000 0.255 24 S C 0.366 174.955 174.600 -0.017 0.000 1.051 24 S CA -0.365 57.825 58.200 -0.018 0.000 1.124 24 S CB -0.112 63.077 63.200 -0.018 0.000 1.104 24 S HN 0.752 nan 8.310 nan 0.000 0.623 25 N N 1.958 120.646 118.700 -0.020 0.000 2.389 25 N HA 0.301 5.041 4.740 -0.000 0.000 0.260 25 N C -0.278 175.219 175.510 -0.021 0.000 1.191 25 N CA -0.462 52.576 53.050 -0.020 0.000 0.885 25 N CB -0.317 38.157 38.487 -0.023 0.000 1.162 25 N HN 0.411 nan 8.380 nan 0.000 0.512 26 L N 0.019 121.232 121.223 -0.017 0.000 2.399 26 L HA 0.315 4.655 4.340 -0.000 0.000 0.266 26 L C 0.582 177.444 176.870 -0.012 0.000 1.114 26 L CA -0.563 54.268 54.840 -0.016 0.000 0.804 26 L CB 0.745 42.799 42.059 -0.009 0.000 1.146 26 L HN 0.240 nan 8.230 nan 0.000 0.451 27 N N 2.588 121.279 118.700 -0.015 0.000 2.469 27 N HA 0.114 4.854 4.740 -0.000 0.000 0.253 27 N C -0.789 174.719 175.510 -0.003 0.000 0.970 27 N CA -0.417 52.626 53.050 -0.012 0.000 0.940 27 N CB 0.633 39.108 38.487 -0.021 0.000 1.128 27 N HN 0.547 nan 8.380 nan 0.000 0.503 28 K N 1.200 121.606 120.400 0.010 0.000 3.278 28 K HA -0.123 4.197 4.320 -0.000 0.000 0.270 28 K C -2.425 174.209 176.600 0.057 0.000 0.955 28 K CA 0.099 56.406 56.287 0.032 0.000 0.723 28 K CB -1.054 31.457 32.500 0.019 0.000 1.382 28 K HN 0.546 nan 8.250 nan 0.000 0.461 29 P HA -0.073 nan 4.420 nan 0.000 0.267 29 P C -0.137 177.234 177.300 0.118 0.000 1.205 29 P CA 0.652 63.790 63.100 0.063 0.000 0.765 29 P CB 1.022 32.745 31.700 0.039 0.000 0.828 30 H N 2.843 121.926 119.070 0.021 0.000 2.258 30 H HA 0.494 5.050 4.556 -0.000 0.000 0.250 30 H C -0.118 175.254 175.328 0.074 0.000 0.908 30 H CA 0.556 56.628 56.048 0.040 0.000 1.096 30 H CB 0.661 30.439 29.762 0.026 0.000 1.422 30 H HN 0.510 nan 8.280 nan 0.000 0.469 31 A N 1.433 124.335 122.820 0.136 0.000 2.374 31 A HA 0.627 4.947 4.320 -0.000 0.000 0.317 31 A C -1.304 176.411 177.584 0.218 0.000 1.094 31 A CA -0.630 51.499 52.037 0.154 0.000 0.765 31 A CB 0.951 20.139 19.000 0.313 0.000 1.268 31 A HN 0.461 nan 8.150 nan 0.000 0.438 32 L N 0.218 121.568 121.223 0.212 0.000 2.409 32 L HA 0.952 5.292 4.340 -0.000 0.000 0.262 32 L C -1.808 175.214 176.870 0.254 0.000 0.992 32 L CA -0.832 54.156 54.840 0.247 0.000 0.817 32 L CB 1.805 43.959 42.059 0.157 0.000 1.350 32 L HN 0.613 nan 8.230 nan 0.000 0.411 33 L N 1.836 123.243 121.223 0.307 0.000 2.393 33 L HA 0.438 4.778 4.340 -0.000 0.000 0.260 33 L C -1.200 175.843 176.870 0.290 0.000 1.002 33 L CA -0.440 54.563 54.840 0.272 0.000 0.818 33 L CB 2.725 44.895 42.059 0.185 0.000 1.369 33 L HN 0.731 nan 8.230 nan 0.000 0.412 34 W N 2.649 124.012 121.300 0.105 0.000 2.387 34 W HA 0.426 5.086 4.660 0.000 0.000 0.310 34 W C 0.121 176.610 176.519 -0.050 0.000 1.181 34 W CA -0.382 56.992 57.345 0.048 0.000 1.333 34 W CB 1.264 30.750 29.460 0.043 0.000 1.286 34 W HN 0.603 nan 8.180 nan 0.000 0.455 35 G N 6.424 115.034 108.800 -0.317 0.000 2.599 35 G HA2 0.163 4.122 3.960 -0.000 0.000 0.264 35 G HA3 0.163 4.122 3.960 -0.000 0.000 0.264 35 G C -1.654 172.888 174.900 -0.596 0.000 1.200 35 G CA -0.897 43.783 45.100 -0.700 0.000 0.896 35 G HN 0.366 nan 8.290 nan 0.000 0.536 36 P HA -0.029 nan 4.420 nan 0.000 0.230 36 P C 0.429 177.597 177.300 -0.219 0.000 1.158 36 P CA 1.021 63.840 63.100 -0.469 0.000 0.769 36 P CB 0.239 31.586 31.700 -0.590 0.000 0.807 37 D N -2.125 118.146 120.400 -0.215 0.000 2.368 37 D HA 0.012 4.652 4.640 -0.000 0.000 0.218 37 D C 0.287 176.535 176.300 -0.087 0.000 1.112 37 D CA -0.646 53.317 54.000 -0.062 0.000 0.834 37 D CB -1.005 39.814 40.800 0.031 0.000 0.953 37 D HN -0.157 nan 8.370 nan 0.000 0.505 38 N N 0.194 118.793 118.700 -0.169 0.000 2.782 38 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 38 N C -0.813 174.312 175.510 -0.642 0.000 1.101 38 N CA 0.745 53.639 53.050 -0.260 0.000 0.764 38 N CB -0.839 37.719 38.487 0.118 0.000 1.122 38 N HN 0.424 nan 8.380 nan 0.000 0.561 39 Q N -0.042 119.434 119.800 -0.541 0.000 2.248 39 Q HA 0.513 4.853 4.340 -0.000 0.000 0.263 39 Q C 0.646 176.315 176.000 -0.551 0.000 1.007 39 Q CA -0.535 54.959 55.803 -0.513 0.000 0.877 39 Q CB 1.478 30.016 28.738 -0.332 0.000 1.315 39 Q HN 0.299 nan 8.270 nan 0.000 0.454 40 I N 1.375 121.653 120.570 -0.487 0.000 2.342 40 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 40 I C -0.785 175.329 176.117 -0.004 0.000 1.010 40 I CA -0.379 60.769 61.300 -0.253 0.000 1.308 40 I CB 0.506 38.311 38.000 -0.324 0.000 1.400 40 I HN 0.317 nan 8.210 nan 0.000 0.488 41 W N 7.996 129.298 121.300 0.003 0.000 2.520 41 W HA 0.637 5.297 4.660 -0.000 0.000 0.323 41 W C -0.707 175.941 176.519 0.215 0.000 1.062 41 W CA -0.728 56.714 57.345 0.161 0.000 1.215 41 W CB 1.253 30.963 29.460 0.416 0.000 1.340 41 W HN 0.163 nan 8.180 nan 0.000 0.516 42 L N 0.155 121.528 121.223 0.251 0.000 2.415 42 L HA 0.969 5.309 4.340 -0.000 0.000 0.256 42 L C -0.153 176.662 176.870 -0.091 0.000 1.010 42 L CA -0.905 54.005 54.840 0.117 0.000 0.826 42 L CB 1.690 43.796 42.059 0.077 0.000 1.405 42 L HN 0.319 nan 8.230 nan 0.000 0.410 43 T N -2.394 112.096 114.554 -0.107 0.000 2.918 43 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 43 T C -0.496 174.181 174.700 -0.039 0.000 1.026 43 T CA -0.631 61.373 62.100 -0.159 0.000 1.031 43 T CB 1.680 70.433 68.868 -0.191 0.000 1.046 43 T HN 0.742 nan 8.240 nan 0.000 0.479 44 E N 0.946 121.112 120.200 -0.058 0.000 2.129 44 E HA 0.266 4.615 4.350 -0.000 0.000 0.268 44 E C 0.836 177.411 176.600 -0.043 0.000 0.900 44 E CA -0.641 55.741 56.400 -0.030 0.000 0.755 44 E CB 1.987 31.660 29.700 -0.044 0.000 1.117 44 E HN 0.701 nan 8.360 nan 0.000 0.410 45 R N 2.914 123.398 120.500 -0.027 0.000 2.096 45 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 45 R C 1.615 177.858 176.300 -0.095 0.000 1.127 45 R CA 1.884 57.930 56.100 -0.090 0.000 0.968 45 R CB 0.065 30.288 30.300 -0.129 0.000 0.861 45 R HN 0.540 nan 8.270 nan 0.000 0.440 46 A N -0.422 122.359 122.820 -0.066 0.000 1.943 46 A HA -0.038 4.282 4.320 -0.000 0.000 0.213 46 A C 2.059 179.602 177.584 -0.069 0.000 1.181 46 A CA 1.218 53.215 52.037 -0.067 0.000 0.653 46 A CB -0.387 18.585 19.000 -0.047 0.000 0.833 46 A HN 0.557 nan 8.150 nan 0.000 0.451 47 T N -4.173 110.343 114.554 -0.064 0.000 3.043 47 T HA 0.333 4.683 4.350 -0.000 0.000 0.263 47 T C 1.539 176.188 174.700 -0.086 0.000 1.094 47 T CA 1.280 63.338 62.100 -0.070 0.000 1.127 47 T CB -0.202 68.626 68.868 -0.066 0.000 0.905 47 T HN 1.655 nan 8.240 nan 0.000 0.490 48 G N 1.518 110.265 108.800 -0.089 0.000 2.148 48 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 48 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 48 G C -0.037 174.799 174.900 -0.107 0.000 0.981 48 G CA 0.192 45.237 45.100 -0.090 0.000 0.670 48 G HN 0.675 nan 8.290 nan 0.000 0.528 49 K N -0.165 120.171 120.400 -0.106 0.000 2.270 49 K HA 0.571 4.891 4.320 -0.000 0.000 0.276 49 K C 0.321 176.855 176.600 -0.110 0.000 1.023 49 K CA -0.147 56.075 56.287 -0.109 0.000 0.955 49 K CB 1.003 33.447 32.500 -0.093 0.000 0.975 49 K HN 0.261 nan 8.250 nan 0.000 0.471 50 I N 4.822 125.343 120.570 -0.082 0.000 2.382 50 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 50 I C -0.470 175.611 176.117 -0.061 0.000 1.007 50 I CA -0.574 60.667 61.300 -0.099 0.000 1.142 50 I CB 0.794 38.779 38.000 -0.024 0.000 1.289 50 I HN 0.293 nan 8.210 nan 0.000 0.453 51 L N 6.089 127.255 121.223 -0.095 0.000 2.334 51 L HA 0.651 4.991 4.340 -0.000 0.000 0.272 51 L C -0.083 176.638 176.870 -0.248 0.000 1.020 51 L CA -0.848 53.907 54.840 -0.142 0.000 0.812 51 L CB 1.826 43.818 42.059 -0.112 0.000 1.264 51 L HN 0.553 nan 8.230 nan 0.000 0.439 52 R N 1.340 121.602 120.500 -0.397 0.000 2.476 52 R HA 0.687 5.027 4.340 -0.000 0.000 0.305 52 R C -1.822 174.243 176.300 -0.392 0.000 0.965 52 R CA -0.463 55.257 56.100 -0.634 0.000 0.867 52 R CB 1.930 31.569 30.300 -1.103 0.000 1.176 52 R HN 0.471 nan 8.270 nan 0.000 0.447 53 V N 3.692 123.407 119.914 -0.332 0.000 2.604 53 V HA 0.286 4.406 4.120 -0.000 0.000 0.305 53 V C -0.154 175.789 176.094 -0.252 0.000 1.043 53 V CA -1.089 61.070 62.300 -0.236 0.000 0.888 53 V CB 1.743 33.462 31.823 -0.174 0.000 0.995 53 V HN 0.797 nan 8.190 nan 0.000 0.429 54 N N 5.057 123.644 118.700 -0.187 0.000 2.420 54 N HA 0.211 4.951 4.740 -0.000 0.000 0.262 54 N C -1.740 173.691 175.510 -0.132 0.000 1.144 54 N CA -1.158 51.795 53.050 -0.161 0.000 0.952 54 N CB 1.492 39.918 38.487 -0.102 0.000 1.081 54 N HN 0.346 nan 8.380 nan 0.000 0.480 55 P HA -0.169 nan 4.420 nan 0.000 0.220 55 P C 0.675 178.030 177.300 0.091 0.000 1.148 55 P CA 1.014 64.063 63.100 -0.085 0.000 0.803 55 P CB 0.246 31.896 31.700 -0.083 0.000 0.782 56 E N 0.374 120.614 120.200 0.065 0.000 2.042 56 E HA -0.102 4.248 4.350 -0.000 0.000 0.189 56 E C 1.906 178.533 176.600 0.045 0.000 0.974 56 E CA 1.986 58.434 56.400 0.081 0.000 0.806 56 E CB -1.172 28.570 29.700 0.071 0.000 0.769 56 E HN 0.190 nan 8.360 nan 0.000 0.451 57 S N -1.406 114.302 115.700 0.013 0.000 2.492 57 S HA 0.324 4.794 4.470 -0.000 0.000 0.218 57 S C 1.775 176.369 174.600 -0.009 0.000 1.016 57 S CA 0.404 58.605 58.200 0.001 0.000 0.916 57 S CB 0.031 63.225 63.200 -0.010 0.000 0.791 57 S HN 0.839 nan 8.310 nan 0.000 0.513 58 G N 1.677 110.464 108.800 -0.022 0.000 2.176 58 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.253 58 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.253 58 G C 0.182 175.051 174.900 -0.050 0.000 0.979 58 G CA 0.241 45.322 45.100 -0.032 0.000 0.641 58 G HN 1.425 nan 8.290 nan 0.000 0.530 59 S N -0.957 114.710 115.700 -0.056 0.000 2.572 59 S HA 0.641 5.111 4.470 -0.000 0.000 0.279 59 S C 0.187 174.732 174.600 -0.092 0.000 1.341 59 S CA 0.105 58.267 58.200 -0.064 0.000 1.043 59 S CB 2.531 65.696 63.200 -0.057 0.000 0.887 59 S HN 1.703 nan 8.310 nan 0.000 0.516 60 V N 1.823 121.682 119.914 -0.091 0.000 2.925 60 V HA 0.779 4.899 4.120 -0.000 0.000 0.311 60 V C -1.105 174.923 176.094 -0.112 0.000 1.104 60 V CA -0.875 61.356 62.300 -0.116 0.000 0.954 60 V CB 2.160 33.923 31.823 -0.100 0.000 1.022 60 V HN 1.137 nan 8.190 nan 0.000 0.427 61 K N 2.750 123.064 120.400 -0.143 0.000 2.468 61 K HA 0.573 4.893 4.320 -0.000 0.000 0.252 61 K C -1.033 175.490 176.600 -0.128 0.000 0.932 61 K CA -0.489 55.725 56.287 -0.122 0.000 0.794 61 K CB 2.232 34.659 32.500 -0.122 0.000 1.241 61 K HN 0.703 nan 8.250 nan 0.000 0.428 62 T N 3.218 117.721 114.554 -0.085 0.000 2.738 62 T HA 0.082 4.432 4.350 -0.000 0.000 0.294 62 T C 1.288 175.970 174.700 -0.030 0.000 0.914 62 T CA -0.463 61.596 62.100 -0.069 0.000 1.052 62 T CB 0.845 69.678 68.868 -0.059 0.000 0.897 62 T HN 0.391 nan 8.240 nan 0.000 0.522 63 V N 3.171 123.072 119.914 -0.021 0.000 2.453 63 V HA 0.142 4.262 4.120 -0.000 0.000 0.247 63 V C 0.388 176.620 176.094 0.230 0.000 1.048 63 V CA 1.183 63.532 62.300 0.081 0.000 1.049 63 V CB -0.445 31.421 31.823 0.071 0.000 0.672 63 V HN 0.794 nan 8.190 nan 0.000 0.457 64 F N -0.904 119.035 119.950 -0.018 0.000 2.719 64 F HA 0.536 5.063 4.527 -0.000 0.000 0.309 64 F C -0.964 174.794 175.800 -0.070 0.000 1.138 64 F CA -1.140 56.834 58.000 -0.044 0.000 0.943 64 F CB 1.762 40.719 39.000 -0.071 0.000 1.304 64 F HN -0.121 nan 8.300 nan 0.000 0.445 65 Q N 3.817 123.121 119.800 -0.826 0.000 2.320 65 Q HA 0.590 4.930 4.340 -0.000 0.000 0.268 65 Q C -1.667 173.798 176.000 -0.891 0.000 1.023 65 Q CA -0.812 54.628 55.803 -0.605 0.000 0.744 65 Q CB 1.851 30.375 28.738 -0.355 0.000 1.246 65 Q HN 0.594 nan 8.270 nan 0.000 0.462 66 V N 6.734 126.394 119.914 -0.424 0.000 2.450 66 V HA 0.135 4.255 4.120 -0.000 0.000 0.281 66 V C -1.975 174.109 176.094 -0.017 0.000 1.019 66 V CA -0.912 61.332 62.300 -0.093 0.000 1.062 66 V CB 0.000 31.947 31.823 0.206 0.000 0.979 66 V HN 0.752 nan 8.190 nan 0.000 0.477 67 P HA 0.165 nan 4.420 nan 0.000 0.271 67 P C 0.351 177.780 177.300 0.215 0.000 1.218 67 P CA -0.176 62.967 63.100 0.073 0.000 0.780 67 P CB 0.263 32.012 31.700 0.081 0.000 0.901 68 E N -0.852 119.435 120.200 0.145 0.000 2.971 68 E HA -0.173 4.177 4.350 -0.000 0.000 0.278 68 E C -0.049 176.666 176.600 0.193 0.000 1.009 68 E CA 0.042 56.554 56.400 0.188 0.000 0.862 68 E CB -1.129 28.714 29.700 0.238 0.000 1.436 68 E HN 0.370 nan 8.360 nan 0.000 0.434 69 I N 1.545 122.141 120.570 0.043 0.000 2.710 69 I HA -0.009 4.161 4.170 -0.000 0.000 0.286 69 I C 0.866 176.895 176.117 -0.148 0.000 1.181 69 I CA 0.512 61.680 61.300 -0.220 0.000 1.430 69 I CB 0.645 38.527 38.000 -0.197 0.000 1.367 69 I HN -0.160 nan 8.210 nan 0.000 0.577 70 V N 6.974 126.768 119.914 -0.200 0.000 2.435 70 V HA 0.394 4.514 4.120 -0.000 0.000 0.290 70 V C 0.003 176.034 176.094 -0.105 0.000 1.030 70 V CA -0.670 61.569 62.300 -0.102 0.000 0.881 70 V CB 1.774 33.562 31.823 -0.058 0.000 0.983 70 V HN 0.863 nan 8.190 nan 0.000 0.445 71 N N 2.377 121.037 118.700 -0.067 0.000 2.287 71 N HA 0.351 5.091 4.740 -0.000 0.000 0.289 71 N C -1.695 173.796 175.510 -0.032 0.000 1.066 71 N CA -0.568 52.447 53.050 -0.058 0.000 0.841 71 N CB 2.140 40.587 38.487 -0.066 0.000 1.599 71 N HN 0.614 nan 8.380 nan 0.000 0.476 72 D N 2.194 122.581 120.400 -0.022 0.000 2.168 72 D HA 0.292 4.932 4.640 -0.000 0.000 0.246 72 D C 0.681 176.974 176.300 -0.013 0.000 1.050 72 D CA -0.311 53.683 54.000 -0.011 0.000 0.857 72 D CB 1.969 42.770 40.800 0.003 0.000 1.169 72 D HN 0.701 nan 8.370 nan 0.000 0.453 73 A N 2.632 125.444 122.820 -0.012 0.000 1.978 73 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 73 A C 1.205 178.783 177.584 -0.010 0.000 1.170 73 A CA 1.438 53.468 52.037 -0.012 0.000 0.636 73 A CB -0.130 18.863 19.000 -0.012 0.000 0.810 73 A HN 0.596 nan 8.150 nan 0.000 0.448 74 D N -1.307 119.086 120.400 -0.011 0.000 2.427 74 D HA 0.350 4.990 4.640 -0.000 0.000 0.224 74 D C 0.536 176.830 176.300 -0.009 0.000 1.157 74 D CA 0.550 54.541 54.000 -0.014 0.000 0.828 74 D CB -0.376 40.411 40.800 -0.022 0.000 0.974 74 D HN 0.284 nan 8.370 nan 0.000 0.498 75 G N -0.611 108.187 108.800 -0.002 0.000 2.714 75 G HA2 0.398 4.358 3.960 -0.000 0.000 0.292 75 G HA3 0.398 4.358 3.960 -0.000 0.000 0.292 75 G C -0.108 174.795 174.900 0.005 0.000 1.308 75 G CA -0.682 44.423 45.100 0.008 0.000 0.964 75 G HN 0.031 nan 8.290 nan 0.000 0.484 76 Q N -0.505 119.302 119.800 0.012 0.000 2.198 76 Q HA 0.111 4.451 4.340 -0.000 0.000 0.209 76 Q C 0.238 176.219 176.000 -0.032 0.000 0.848 76 Q CA -0.479 55.328 55.803 0.006 0.000 0.974 76 Q CB 0.372 29.136 28.738 0.043 0.000 1.115 76 Q HN 0.645 nan 8.270 nan 0.000 0.494 77 N N -0.192 118.485 118.700 -0.037 0.000 2.413 77 N HA 0.627 5.367 4.740 -0.000 0.000 0.266 77 N C 0.543 175.987 175.510 -0.109 0.000 1.238 77 N CA 0.397 53.409 53.050 -0.064 0.000 0.972 77 N CB 0.894 39.356 38.487 -0.042 0.000 1.210 77 N HN 0.057 nan 8.380 nan 0.000 0.547 78 G N -1.539 107.175 108.800 -0.145 0.000 2.236 78 G HA2 0.096 4.056 3.960 -0.000 0.000 0.231 78 G HA3 0.096 4.056 3.960 -0.000 0.000 0.231 78 G C -1.754 173.022 174.900 -0.207 0.000 1.334 78 G CA -0.396 44.595 45.100 -0.181 0.000 1.137 78 G HN 0.764 nan 8.290 nan 0.000 0.482 79 L N 1.634 122.749 121.223 -0.180 0.000 2.313 79 L HA 0.765 5.105 4.340 -0.000 0.000 0.282 79 L C 0.604 177.398 176.870 -0.126 0.000 1.092 79 L CA 0.115 54.882 54.840 -0.121 0.000 0.831 79 L CB 0.421 42.431 42.059 -0.083 0.000 1.159 79 L HN 0.637 nan 8.230 nan 0.000 0.442 80 L N 3.586 124.791 121.223 -0.030 0.000 3.260 80 L HA 0.501 4.841 4.340 -0.000 0.000 0.171 80 L C 1.163 178.160 176.870 0.213 0.000 1.315 80 L CA 0.154 54.995 54.840 0.002 0.000 0.886 80 L CB -0.798 41.282 42.059 0.035 0.000 1.431 80 L HN 0.727 nan 8.230 nan 0.000 0.583 81 G N -0.053 108.925 108.800 0.295 0.000 2.491 81 G HA2 0.279 4.239 3.960 -0.000 0.000 0.238 81 G HA3 0.279 4.239 3.960 -0.000 0.000 0.238 81 G C -1.410 173.723 174.900 0.390 0.000 1.277 81 G CA 0.277 45.597 45.100 0.367 0.000 0.851 81 G HN 0.106 nan 8.290 nan 0.000 0.573 82 F N 1.353 121.391 119.950 0.147 0.000 2.670 82 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 82 F C -0.554 175.256 175.800 0.015 0.000 1.179 82 F CA -0.881 57.157 58.000 0.064 0.000 1.076 82 F CB 1.173 40.201 39.000 0.048 0.000 1.322 82 F HN 0.905 nan 8.300 nan 0.000 0.515 83 A N 4.732 127.348 122.820 -0.340 0.000 2.606 83 A HA 0.787 5.107 4.320 -0.000 0.000 0.293 83 A C -2.134 175.198 177.584 -0.422 0.000 1.082 83 A CA -0.574 51.225 52.037 -0.396 0.000 0.685 83 A CB 0.981 19.949 19.000 -0.053 0.000 1.284 83 A HN 0.541 nan 8.150 nan 0.000 0.408 84 F N 0.346 120.148 119.950 -0.245 0.000 2.399 84 F HA 0.445 4.972 4.527 -0.000 0.000 0.328 84 F C 0.914 176.821 175.800 0.179 0.000 1.084 84 F CA 0.072 58.001 58.000 -0.120 0.000 1.053 84 F CB 1.172 39.911 39.000 -0.434 0.000 1.209 84 F HN 0.785 nan 8.300 nan 0.000 0.502 85 H N 4.356 123.772 119.070 0.576 0.000 2.928 85 H HA 0.067 4.623 4.556 -0.000 0.000 0.338 85 H C -1.526 173.987 175.328 0.308 0.000 1.047 85 H CA -1.075 55.266 56.048 0.488 0.000 1.435 85 H CB 1.028 31.148 29.762 0.597 0.000 1.428 85 H HN 0.237 nan 8.280 nan 0.000 0.590 86 P HA -0.114 nan 4.420 nan 0.000 0.223 86 P C 0.035 177.470 177.300 0.225 0.000 1.151 86 P CA 1.135 64.300 63.100 0.108 0.000 0.787 86 P CB 0.365 32.035 31.700 -0.050 0.000 0.788 87 D N -1.183 119.507 120.400 0.484 0.000 2.863 87 D HA 0.086 4.726 4.640 -0.000 0.000 0.323 87 D C 0.699 177.144 176.300 0.242 0.000 1.286 87 D CA -0.981 53.203 54.000 0.306 0.000 0.921 87 D CB -0.747 40.202 40.800 0.248 0.000 1.024 87 D HN -0.223 nan 8.370 nan 0.000 0.505 88 F N 1.636 121.637 119.950 0.085 0.000 2.126 88 F HA -0.137 4.389 4.527 -0.000 0.000 0.299 88 F C 1.926 177.686 175.800 -0.067 0.000 1.096 88 F CA 1.226 59.224 58.000 -0.003 0.000 1.255 88 F CB 0.282 39.242 39.000 -0.068 0.000 0.997 88 F HN 0.070 nan 8.300 nan 0.000 0.479 89 K N 0.074 120.491 120.400 0.028 0.000 2.152 89 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 89 K C 1.434 177.947 176.600 -0.144 0.000 1.048 89 K CA 1.444 57.699 56.287 -0.054 0.000 0.933 89 K CB -0.669 31.841 32.500 0.016 0.000 0.721 89 K HN 0.312 nan 8.250 nan 0.000 0.447 90 N N 0.022 118.640 118.700 -0.137 0.000 2.282 90 N HA 0.022 4.762 4.740 -0.000 0.000 0.185 90 N C -0.541 174.817 175.510 -0.253 0.000 1.099 90 N CA 0.153 53.113 53.050 -0.151 0.000 0.878 90 N CB 0.515 38.960 38.487 -0.069 0.000 0.993 90 N HN 0.110 nan 8.380 nan 0.000 0.481 91 N N 0.598 119.059 118.700 -0.398 0.000 2.725 91 N HA 0.159 4.898 4.740 -0.000 0.000 0.248 91 N C -2.872 172.086 175.510 -0.920 0.000 1.402 91 N CA -0.708 51.972 53.050 -0.617 0.000 0.766 91 N CB 2.194 40.227 38.487 -0.757 0.000 1.223 91 N HN 0.042 nan 8.380 nan 0.000 0.515 92 P HA 0.118 nan 4.420 nan 0.000 0.230 92 P C -1.097 175.652 177.300 -0.919 0.000 1.791 92 P CA 0.199 62.464 63.100 -1.392 0.000 1.020 92 P CB -0.753 30.372 31.700 -0.959 0.000 1.977 93 Y N 0.722 121.001 120.300 -0.035 0.000 2.429 93 Y HA 0.554 5.104 4.550 -0.000 0.000 0.342 93 Y C 0.824 176.827 175.900 0.171 0.000 1.004 93 Y CA -1.311 56.804 58.100 0.026 0.000 1.075 93 Y CB 2.068 40.437 38.460 -0.151 0.000 1.214 93 Y HN -0.036 nan 8.280 nan 0.000 0.455 94 I N 2.874 123.504 120.570 0.099 0.000 2.465 94 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 94 I C -1.360 174.656 176.117 -0.169 0.000 1.014 94 I CA -0.908 60.385 61.300 -0.012 0.000 1.093 94 I CB 1.482 39.502 38.000 0.034 0.000 1.267 94 I HN 0.512 nan 8.210 nan 0.000 0.431 95 Y N 6.557 126.927 120.300 0.117 0.000 2.335 95 Y HA 0.633 5.183 4.550 -0.000 0.000 0.338 95 Y C 0.021 176.024 175.900 0.172 0.000 0.977 95 Y CA -0.879 57.296 58.100 0.125 0.000 1.114 95 Y CB 1.479 39.978 38.460 0.066 0.000 1.182 95 Y HN 0.391 nan 8.280 nan 0.000 0.463 96 I N -0.580 120.183 120.570 0.322 0.000 3.239 96 I HA 0.940 5.110 4.170 -0.000 0.000 0.314 96 I C -0.518 175.736 176.117 0.229 0.000 1.126 96 I CA -0.999 60.493 61.300 0.319 0.000 0.973 96 I CB 2.441 40.659 38.000 0.363 0.000 1.252 96 I HN 0.404 nan 8.210 nan 0.000 0.463 97 S N 0.768 116.601 115.700 0.221 0.000 2.548 97 S HA 0.998 5.468 4.470 -0.000 0.000 0.286 97 S C -0.524 174.181 174.600 0.174 0.000 1.098 97 S CA -0.156 58.137 58.200 0.156 0.000 0.930 97 S CB 1.410 64.650 63.200 0.065 0.000 1.070 97 S HN 1.538 nan 8.310 nan 0.000 0.480 98 G N 0.468 109.370 108.800 0.170 0.000 2.677 98 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 98 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 98 G C -1.276 173.452 174.900 -0.287 0.000 1.435 98 G CA -0.704 44.322 45.100 -0.124 0.000 0.826 98 G HN 0.756 nan 8.290 nan 0.000 0.491 99 T N 1.183 115.454 114.554 -0.472 0.000 2.749 99 T HA 0.585 4.935 4.350 -0.000 0.000 0.295 99 T C -0.932 173.398 174.700 -0.616 0.000 0.936 99 T CA 0.428 62.326 62.100 -0.337 0.000 1.060 99 T CB 0.009 68.758 68.868 -0.197 0.000 0.904 99 T HN 0.260 nan 8.240 nan 0.000 0.500 100 F N 1.017 120.990 119.950 0.037 0.000 2.603 100 F HA 0.497 5.024 4.527 -0.000 0.000 0.317 100 F C 0.453 176.273 175.800 0.033 0.000 1.066 100 F CA -1.497 56.525 58.000 0.035 0.000 0.941 100 F CB 1.665 40.689 39.000 0.039 0.000 1.291 100 F HN 0.285 nan 8.300 nan 0.000 0.472 101 K N 1.316 121.847 120.400 0.219 0.000 2.414 101 K HA 0.028 4.348 4.320 -0.000 0.000 0.272 101 K C -0.484 176.192 176.600 0.127 0.000 0.993 101 K CA -0.104 56.262 56.287 0.132 0.000 0.964 101 K CB 0.372 32.932 32.500 0.100 0.000 0.925 101 K HN 0.612 nan 8.250 nan 0.000 0.487 102 N N 4.772 123.528 118.700 0.092 0.000 2.609 102 N HA 0.222 4.962 4.740 -0.000 0.000 0.234 102 N C -2.258 173.284 175.510 0.053 0.000 1.001 102 N CA -2.410 50.685 53.050 0.075 0.000 0.926 102 N CB 1.378 39.908 38.487 0.071 0.000 1.130 102 N HN 0.346 nan 8.380 nan 0.000 0.510 103 P HA -0.100 nan 4.420 nan 0.000 0.219 103 P C 0.538 177.853 177.300 0.024 0.000 1.146 103 P CA 1.252 64.371 63.100 0.032 0.000 0.808 103 P CB 0.379 32.094 31.700 0.024 0.000 0.779 104 K N -0.815 119.599 120.400 0.023 0.000 2.486 104 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 104 K C 1.265 177.876 176.600 0.019 0.000 1.033 104 K CA 0.035 56.331 56.287 0.015 0.000 1.004 104 K CB -0.114 32.391 32.500 0.009 0.000 0.798 104 K HN 0.093 nan 8.250 nan 0.000 0.495 109 E N 2.047 122.291 120.200 0.073 0.000 2.021 109 E HA -0.119 4.231 4.350 -0.000 0.000 0.200 109 E C 0.372 177.047 176.600 0.125 0.000 1.015 109 E CA 1.136 57.599 56.400 0.104 0.000 0.824 109 E CB -0.126 29.641 29.700 0.112 0.000 0.762 109 E HN 0.164 nan 8.360 nan 0.000 0.454 110 L N 1.557 122.840 121.223 0.099 0.000 2.457 110 L HA 0.306 4.645 4.340 -0.000 0.000 0.252 110 L C -1.986 174.925 176.870 0.068 0.000 1.132 110 L CA -1.327 53.563 54.840 0.083 0.000 0.938 110 L CB 1.769 43.868 42.059 0.065 0.000 1.246 110 L HN 0.064 nan 8.230 nan 0.000 0.476 111 P HA 0.033 nan 4.420 nan 0.000 0.241 111 P C -0.184 177.153 177.300 0.061 0.000 1.191 111 P CA 0.541 63.675 63.100 0.057 0.000 0.771 111 P CB 0.386 32.117 31.700 0.052 0.000 0.929 112 N N 0.348 119.086 118.700 0.063 0.000 2.531 112 N HA 0.283 5.023 4.740 -0.000 0.000 0.290 112 N C 0.029 175.589 175.510 0.083 0.000 1.257 112 N CA -0.436 52.657 53.050 0.073 0.000 0.863 112 N CB 1.316 39.836 38.487 0.054 0.000 1.320 112 N HN 0.134 nan 8.380 nan 0.000 0.538 113 Q N -1.260 118.607 119.800 0.112 0.000 2.484 113 Q HA 0.630 4.970 4.340 -0.000 0.000 0.285 113 Q C -1.248 174.843 176.000 0.152 0.000 1.097 113 Q CA -0.823 55.056 55.803 0.126 0.000 0.802 113 Q CB 1.287 30.105 28.738 0.134 0.000 1.444 113 Q HN 0.289 nan 8.270 nan 0.000 0.429 114 T N 1.581 116.223 114.554 0.146 0.000 2.824 114 T HA 0.615 4.965 4.350 -0.000 0.000 0.280 114 T C -0.387 174.411 174.700 0.164 0.000 0.995 114 T CA -0.483 61.711 62.100 0.157 0.000 1.009 114 T CB 0.440 69.391 68.868 0.138 0.000 0.955 114 T HN 0.414 nan 8.240 nan 0.000 0.452 115 I N 3.110 123.821 120.570 0.234 0.000 2.498 115 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 115 I C -0.480 175.679 176.117 0.071 0.000 1.032 115 I CA -0.923 60.459 61.300 0.138 0.000 1.073 115 I CB 2.008 40.078 38.000 0.116 0.000 1.251 115 I HN 0.456 nan 8.210 nan 0.000 0.426 116 I N 6.205 126.733 120.570 -0.071 0.000 2.325 116 I HA 0.394 4.563 4.170 -0.000 0.000 0.291 116 I C 0.115 176.212 176.117 -0.033 0.000 1.019 116 I CA -0.195 61.040 61.300 -0.108 0.000 1.302 116 I CB 0.875 38.718 38.000 -0.260 0.000 1.401 116 I HN 0.541 nan 8.210 nan 0.000 0.485 117 R N 6.463 126.978 120.500 0.026 0.000 2.750 117 R HA 0.566 4.906 4.340 -0.000 0.000 0.281 117 R C -0.985 175.285 176.300 -0.049 0.000 0.972 117 R CA -0.853 55.217 56.100 -0.051 0.000 0.912 117 R CB 2.086 32.333 30.300 -0.088 0.000 1.187 117 R HN 0.586 nan 8.270 nan 0.000 0.464 118 R N 2.712 123.095 120.500 -0.196 0.000 2.532 118 R HA 0.337 4.677 4.340 -0.000 0.000 0.295 118 R C -1.497 174.565 176.300 -0.396 0.000 0.968 118 R CA -0.347 55.577 56.100 -0.293 0.000 0.916 118 R CB 0.963 31.064 30.300 -0.332 0.000 1.124 118 R HN 0.565 nan 8.270 nan 0.000 0.463 119 Y N 0.133 120.352 120.300 -0.134 0.000 2.524 119 Y HA 0.313 4.863 4.550 -0.000 0.000 0.344 119 Y C -0.013 175.902 175.900 0.026 0.000 1.012 119 Y CA -0.614 57.441 58.100 -0.075 0.000 1.068 119 Y CB 2.746 41.128 38.460 -0.130 0.000 1.249 119 Y HN 0.457 nan 8.280 nan 0.000 0.468 120 T N 2.205 116.886 114.554 0.211 0.000 2.767 120 T HA 0.165 4.515 4.350 -0.000 0.000 0.284 120 T C -1.315 173.450 174.700 0.109 0.000 0.973 120 T CA -0.454 61.739 62.100 0.156 0.000 0.996 120 T CB 0.105 69.039 68.868 0.110 0.000 0.927 120 T HN 0.399 nan 8.240 nan 0.000 0.456 121 Y N 4.177 124.463 120.300 -0.024 0.000 2.336 121 Y HA 0.366 4.916 4.550 0.000 0.000 0.335 121 Y C 0.216 176.104 175.900 -0.019 0.000 1.046 121 Y CA -0.996 57.136 58.100 0.055 0.000 1.198 121 Y CB 0.551 39.180 38.460 0.282 0.000 1.182 121 Y HN 0.494 nan 8.280 nan 0.000 0.502 122 N N 5.825 124.130 118.700 -0.657 0.000 2.501 122 N HA 0.092 4.832 4.740 -0.000 0.000 0.245 122 N C 0.494 175.493 175.510 -0.851 0.000 0.974 122 N CA -0.218 52.497 53.050 -0.559 0.000 0.941 122 N CB 1.355 39.673 38.487 -0.281 0.000 1.122 122 N HN 0.810 nan 8.380 nan 0.000 0.507 123 K N 2.002 122.018 120.400 -0.640 0.000 2.148 123 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 123 K C 1.646 178.167 176.600 -0.132 0.000 1.050 123 K CA 1.732 57.837 56.287 -0.304 0.000 0.942 123 K CB -0.020 32.498 32.500 0.030 0.000 0.724 123 K HN 0.554 nan 8.250 nan 0.000 0.446 124 S N -1.248 114.374 115.700 -0.131 0.000 2.406 124 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 124 S C 1.873 176.437 174.600 -0.060 0.000 1.020 124 S CA 1.315 59.475 58.200 -0.067 0.000 0.965 124 S CB -0.648 62.517 63.200 -0.059 0.000 0.798 124 S HN 0.470 nan 8.310 nan 0.000 0.488 125 T N -2.440 112.058 114.554 -0.093 0.000 3.040 125 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 125 T C 0.222 174.898 174.700 -0.040 0.000 1.058 125 T CA 0.397 62.465 62.100 -0.055 0.000 0.988 125 T CB -0.515 68.324 68.868 -0.049 0.000 0.993 125 T HN 0.287 nan 8.240 nan 0.000 0.519 126 D N 0.725 121.071 120.400 -0.091 0.000 2.737 126 D HA -0.139 4.501 4.640 -0.000 0.000 0.238 126 D C -0.249 176.113 176.300 0.104 0.000 1.157 126 D CA 1.307 55.325 54.000 0.030 0.000 0.694 126 D CB -1.374 39.494 40.800 0.114 0.000 1.021 126 D HN 0.601 nan 8.370 nan 0.000 0.420 127 T N -0.735 113.821 114.554 0.003 0.000 2.731 127 T HA 0.648 4.998 4.350 -0.000 0.000 0.300 127 T C -1.479 173.230 174.700 0.016 0.000 1.283 127 T CA -0.773 61.392 62.100 0.109 0.000 1.005 127 T CB 0.626 69.569 68.868 0.125 0.000 1.420 127 T HN 0.020 nan 8.240 nan 0.000 0.503 128 L N 2.653 123.782 121.223 -0.158 0.000 2.325 128 L HA 0.712 5.052 4.340 -0.000 0.000 0.278 128 L C 0.239 176.898 176.870 -0.353 0.000 1.023 128 L CA -0.160 54.439 54.840 -0.401 0.000 0.811 128 L CB 1.497 42.922 42.059 -1.056 0.000 1.249 128 L HN 0.817 nan 8.230 nan 0.000 0.431 129 E N 0.804 120.965 120.200 -0.066 0.000 2.460 129 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 129 E C -1.296 175.369 176.600 0.108 0.000 1.010 129 E CA -1.097 55.333 56.400 0.050 0.000 0.838 129 E CB 1.065 30.775 29.700 0.017 0.000 1.448 129 E HN 0.315 nan 8.360 nan 0.000 0.462 130 K N 0.185 120.623 120.400 0.065 0.000 3.689 130 K HA -0.094 4.225 4.320 -0.000 0.000 0.276 130 K C -2.312 174.237 176.600 -0.085 0.000 0.932 130 K CA 0.519 56.810 56.287 0.006 0.000 0.758 130 K CB -1.636 30.870 32.500 0.010 0.000 1.500 130 K HN 0.488 nan 8.250 nan 0.000 0.448 131 P HA 0.066 nan 4.420 nan 0.000 0.268 131 P C -0.245 176.870 177.300 -0.308 0.000 1.204 131 P CA -0.001 62.808 63.100 -0.484 0.000 0.768 131 P CB 0.992 32.440 31.700 -0.420 0.000 0.842 132 V N 3.547 123.259 119.914 -0.338 0.000 2.482 132 V HA 0.160 4.279 4.120 -0.000 0.000 0.295 132 V C -0.262 175.714 176.094 -0.197 0.000 1.026 132 V CA -0.624 61.549 62.300 -0.211 0.000 0.856 132 V CB 1.739 33.464 31.823 -0.164 0.000 1.001 132 V HN 0.403 nan 8.190 nan 0.000 0.424 133 D N 4.305 124.612 120.400 -0.156 0.000 2.339 133 D HA 0.288 4.928 4.640 -0.000 0.000 0.256 133 D C 0.925 177.177 176.300 -0.080 0.000 1.214 133 D CA 0.097 54.022 54.000 -0.126 0.000 0.877 133 D CB 1.705 42.435 40.800 -0.116 0.000 1.111 133 D HN 0.367 nan 8.370 nan 0.000 0.478 134 L N 1.730 122.913 121.223 -0.067 0.000 2.168 134 L HA 0.146 4.486 4.340 -0.000 0.000 0.203 134 L C 0.459 177.296 176.870 -0.055 0.000 1.078 134 L CA 0.392 55.206 54.840 -0.044 0.000 0.780 134 L CB 0.070 42.117 42.059 -0.020 0.000 0.939 134 L HN 0.214 nan 8.230 nan 0.000 0.451 135 L N 0.208 121.379 121.223 -0.087 0.000 2.541 135 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 135 L C -0.678 176.152 176.870 -0.067 0.000 0.966 135 L CA -0.265 54.502 54.840 -0.122 0.000 0.871 135 L CB 1.283 43.170 42.059 -0.287 0.000 1.232 135 L HN -0.042 nan 8.230 nan 0.000 0.408 136 A N 2.785 125.620 122.820 0.025 0.000 2.344 136 A HA 0.831 5.151 4.320 -0.000 0.000 0.307 136 A C 0.931 178.616 177.584 0.168 0.000 1.151 136 A CA -0.101 51.976 52.037 0.066 0.000 0.842 136 A CB 1.091 20.112 19.000 0.034 0.000 1.350 136 A HN 1.937 nan 8.150 nan 0.000 0.459 137 G N -1.188 107.699 108.800 0.145 0.000 2.143 137 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.248 137 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.248 137 G C 0.009 175.047 174.900 0.230 0.000 0.991 137 G CA 0.506 45.703 45.100 0.162 0.000 0.689 137 G HN 0.740 nan 8.290 nan 0.000 0.522 138 L N 0.427 121.767 121.223 0.195 0.000 2.436 138 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 138 L C -1.492 175.471 176.870 0.155 0.000 1.168 138 L CA -2.167 52.787 54.840 0.189 0.000 0.815 138 L CB 0.521 42.662 42.059 0.137 0.000 1.109 138 L HN -0.111 nan 8.230 nan 0.000 0.462 139 P HA -0.003 nan 4.420 nan 0.000 0.266 139 P C -0.877 176.471 177.300 0.080 0.000 1.193 139 P CA 0.158 63.316 63.100 0.097 0.000 0.770 139 P CB 0.780 32.523 31.700 0.071 0.000 0.836 140 S N 0.825 116.551 115.700 0.044 0.000 2.536 140 S HA 0.729 5.199 4.470 -0.000 0.000 0.271 140 S C -0.983 173.604 174.600 -0.022 0.000 1.134 140 S CA -0.209 58.007 58.200 0.027 0.000 0.897 140 S CB 0.647 63.874 63.200 0.046 0.000 1.094 140 S HN 0.565 nan 8.310 nan 0.000 0.473 141 S N 3.296 118.971 115.700 -0.042 0.000 2.727 141 S HA 0.517 4.987 4.470 -0.000 0.000 0.278 141 S C -0.191 174.421 174.600 0.020 0.000 1.186 141 S CA -0.874 57.282 58.200 -0.073 0.000 0.836 141 S CB 0.811 63.782 63.200 -0.382 0.000 1.186 141 S HN 0.652 nan 8.310 nan 0.000 0.499 142 K N 0.068 120.555 120.400 0.144 0.000 2.418 142 K HA 0.234 4.554 4.320 -0.000 0.000 0.195 142 K C -0.708 175.952 176.600 0.099 0.000 1.035 142 K CA 0.563 56.928 56.287 0.130 0.000 1.003 142 K CB -0.136 32.459 32.500 0.159 0.000 0.793 142 K HN 0.463 nan 8.250 nan 0.000 0.494 143 D N -0.225 120.230 120.400 0.091 0.000 2.601 143 D HA 0.191 4.831 4.640 -0.000 0.000 0.230 143 D C -0.759 175.543 176.300 0.003 0.000 1.106 143 D CA -0.592 53.408 54.000 -0.001 0.000 0.873 143 D CB 0.909 41.648 40.800 -0.100 0.000 1.515 143 D HN 0.098 nan 8.370 nan 0.000 0.468 144 H N 0.556 119.634 119.070 0.013 0.000 2.592 144 H HA -0.146 4.410 4.556 -0.000 0.000 0.323 144 H C 0.547 175.855 175.328 -0.034 0.000 1.117 144 H CA -0.138 55.896 56.048 -0.024 0.000 1.120 144 H CB -0.408 29.335 29.762 -0.031 0.000 1.561 144 H HN 0.229 nan 8.280 nan 0.000 0.409 145 Q N -0.097 119.753 119.800 0.084 0.000 2.302 145 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 145 Q C 1.642 177.635 176.000 -0.012 0.000 0.936 145 Q CA 0.983 56.807 55.803 0.035 0.000 0.886 145 Q CB 0.606 29.359 28.738 0.025 0.000 0.986 145 Q HN 0.647 nan 8.270 nan 0.000 0.487 146 S N -0.464 115.221 115.700 -0.025 0.000 4.157 146 S HA -0.297 4.172 4.470 -0.000 0.000 0.552 146 S C 1.212 175.761 174.600 -0.085 0.000 1.867 146 S CA 2.334 60.480 58.200 -0.091 0.000 4.248 146 S CB -1.588 61.500 63.200 -0.187 0.000 0.222 146 S HN 0.823 nan 8.310 nan 0.000 0.457 147 G N 0.987 109.628 108.800 -0.266 0.000 2.137 147 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.237 147 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.237 147 G C -0.246 174.586 174.900 -0.113 0.000 1.002 147 G CA 0.838 45.797 45.100 -0.234 0.000 0.702 147 G HN 0.727 nan 8.290 nan 0.000 0.515 148 R N -0.093 120.283 120.500 -0.205 0.000 2.389 148 R HA 0.698 5.038 4.340 -0.000 0.000 0.295 148 R C -0.021 176.283 176.300 0.006 0.000 1.075 148 R CA -0.372 55.701 56.100 -0.045 0.000 1.005 148 R CB 0.487 30.742 30.300 -0.075 0.000 0.987 148 R HN 0.413 nan 8.270 nan 0.000 0.452 149 L N 5.893 127.225 121.223 0.181 0.000 2.372 149 L HA 0.612 4.951 4.340 -0.000 0.000 0.274 149 L C -1.207 175.757 176.870 0.156 0.000 0.988 149 L CA -0.850 54.156 54.840 0.276 0.000 0.833 149 L CB 1.541 43.823 42.059 0.371 0.000 1.236 149 L HN 0.590 nan 8.230 nan 0.000 0.410 150 V N 2.205 122.209 119.914 0.151 0.000 3.040 150 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 150 V C -0.614 175.559 176.094 0.131 0.000 1.115 150 V CA -0.749 61.626 62.300 0.126 0.000 0.998 150 V CB 2.259 34.173 31.823 0.151 0.000 1.042 150 V HN 0.627 nan 8.190 nan 0.000 0.433 151 I N 2.377 122.968 120.570 0.035 0.000 2.362 151 I HA 0.661 4.831 4.170 -0.000 0.000 0.289 151 I C 1.000 177.016 176.117 -0.169 0.000 0.994 151 I CA -0.255 61.009 61.300 -0.060 0.000 1.158 151 I CB 1.558 39.438 38.000 -0.200 0.000 1.315 151 I HN 0.990 nan 8.210 nan 0.000 0.451 152 G N 5.869 114.536 108.800 -0.221 0.000 2.580 152 G HA2 0.301 4.261 3.960 -0.000 0.000 0.278 152 G HA3 0.301 4.261 3.960 -0.000 0.000 0.278 152 G C -1.850 172.685 174.900 -0.608 0.000 1.212 152 G CA -1.034 43.504 45.100 -0.937 0.000 0.939 152 G HN 0.399 nan 8.290 nan 0.000 0.513 153 P HA -0.059 nan 4.420 nan 0.000 0.221 153 P C 0.930 178.097 177.300 -0.221 0.000 1.145 153 P CA 1.292 64.168 63.100 -0.373 0.000 0.795 153 P CB 0.117 31.619 31.700 -0.331 0.000 0.775 154 D N -1.360 118.926 120.400 -0.190 0.000 2.349 154 D HA -0.084 4.556 4.640 -0.000 0.000 0.224 154 D C 0.496 176.746 176.300 -0.084 0.000 1.029 154 D CA 0.070 54.019 54.000 -0.086 0.000 0.879 154 D CB -0.789 40.002 40.800 -0.016 0.000 0.906 154 D HN 0.081 nan 8.370 nan 0.000 0.528 155 Q N -0.715 119.007 119.800 -0.130 0.000 2.494 155 Q HA -0.140 4.200 4.340 -0.000 0.000 0.272 155 Q C -0.633 175.285 176.000 -0.138 0.000 1.145 155 Q CA 0.849 56.565 55.803 -0.146 0.000 0.943 155 Q CB -1.190 27.486 28.738 -0.102 0.000 1.338 155 Q HN 0.428 nan 8.270 nan 0.000 0.492 156 K N 0.404 120.743 120.400 -0.102 0.000 2.208 156 K HA 0.571 4.891 4.320 -0.000 0.000 0.247 156 K C 0.485 177.008 176.600 -0.129 0.000 0.953 156 K CA -0.864 55.333 56.287 -0.151 0.000 0.837 156 K CB 1.268 33.623 32.500 -0.241 0.000 1.131 156 K HN 0.075 nan 8.250 nan 0.000 0.431 157 I N 2.296 122.741 120.570 -0.209 0.000 2.441 157 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 157 I C -0.543 175.476 176.117 -0.164 0.000 1.049 157 I CA -0.399 60.819 61.300 -0.136 0.000 1.381 157 I CB 0.257 38.150 38.000 -0.180 0.000 1.409 157 I HN 0.299 nan 8.210 nan 0.000 0.523 158 Y N 6.175 126.462 120.300 -0.021 0.000 2.341 158 Y HA 0.438 4.988 4.550 -0.000 0.000 0.338 158 Y C -0.646 175.292 175.900 0.064 0.000 0.965 158 Y CA -0.631 57.460 58.100 -0.016 0.000 1.108 158 Y CB 1.321 39.766 38.460 -0.024 0.000 1.180 158 Y HN 0.360 nan 8.280 nan 0.000 0.458 159 Y N 2.444 122.746 120.300 0.003 0.000 2.421 159 Y HA 0.473 5.023 4.550 -0.000 0.000 0.339 159 Y C -0.428 175.440 175.900 -0.053 0.000 0.996 159 Y CA -1.240 56.848 58.100 -0.021 0.000 1.046 159 Y CB 1.586 40.021 38.460 -0.042 0.000 1.226 159 Y HN 0.639 nan 8.280 nan 0.000 0.445 160 T N 5.020 119.169 114.554 -0.674 0.000 2.806 160 T HA 0.544 4.894 4.350 -0.000 0.000 0.290 160 T C -0.628 173.650 174.700 -0.703 0.000 0.966 160 T CA -0.515 61.251 62.100 -0.557 0.000 1.060 160 T CB 0.942 69.551 68.868 -0.430 0.000 0.927 160 T HN 0.683 nan 8.240 nan 0.000 0.485 161 I N 3.055 123.431 120.570 -0.324 0.000 2.439 161 I HA 0.599 4.769 4.170 -0.000 0.000 0.283 161 I C 0.634 176.713 176.117 -0.063 0.000 1.023 161 I CA -0.610 60.614 61.300 -0.127 0.000 1.100 161 I CB 0.909 38.970 38.000 0.101 0.000 1.238 161 I HN 0.924 nan 8.210 nan 0.000 0.445 162 G N 4.257 113.026 108.800 -0.051 0.000 2.683 162 G HA2 0.003 3.962 3.960 -0.000 0.000 0.260 162 G HA3 0.003 3.962 3.960 -0.000 0.000 0.260 162 G C 0.549 175.479 174.900 0.050 0.000 1.238 162 G CA 0.128 45.219 45.100 -0.015 0.000 0.934 162 G HN 0.798 nan 8.290 nan 0.000 0.534 163 D N -1.273 119.184 120.400 0.095 0.000 2.352 163 D HA -0.071 4.569 4.640 -0.000 0.000 0.232 163 D C 0.917 177.284 176.300 0.112 0.000 1.055 163 D CA 0.171 54.259 54.000 0.147 0.000 0.891 163 D CB 0.078 41.045 40.800 0.279 0.000 0.897 163 D HN 0.294 nan 8.370 nan 0.000 0.529 164 Q N -1.586 118.258 119.800 0.074 0.000 2.416 164 Q HA -0.193 4.147 4.340 -0.000 0.000 0.235 164 Q C 1.309 177.205 176.000 -0.174 0.000 0.773 164 Q CA 1.172 56.931 55.803 -0.073 0.000 1.286 164 Q CB -2.515 26.133 28.738 -0.150 0.000 1.556 164 Q HN 0.766 nan 8.270 nan 0.000 0.650 165 G N 0.152 108.926 108.800 -0.044 0.000 2.159 165 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.256 165 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.256 165 G C 0.164 175.136 174.900 0.121 0.000 0.977 165 G CA 0.418 45.432 45.100 -0.143 0.000 0.652 165 G HN 0.335 nan 8.290 nan 0.000 0.531 166 R N -0.136 120.441 120.500 0.129 0.000 2.570 166 R HA 0.305 4.645 4.340 -0.000 0.000 0.277 166 R C 1.093 177.527 176.300 0.223 0.000 1.039 166 R CA 0.548 56.752 56.100 0.174 0.000 1.065 166 R CB 0.098 30.478 30.300 0.133 0.000 0.964 166 R HN 0.360 nan 8.270 nan 0.000 0.428 167 N N 0.600 119.409 118.700 0.183 0.000 2.869 167 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 167 N C -1.602 173.981 175.510 0.121 0.000 1.104 167 N CA 1.592 54.744 53.050 0.170 0.000 0.760 167 N CB -0.674 37.968 38.487 0.259 0.000 1.108 167 N HN 0.767 nan 8.380 nan 0.000 0.555 168 Q N -1.094 118.745 119.800 0.064 0.000 2.426 168 Q HA 0.648 4.988 4.340 -0.000 0.000 0.278 168 Q C 0.499 176.464 176.000 -0.058 0.000 1.007 168 Q CA -0.471 55.331 55.803 -0.002 0.000 0.850 168 Q CB 1.294 30.092 28.738 0.100 0.000 1.427 168 Q HN -0.007 nan 8.270 nan 0.000 0.391 169 L N -0.210 120.943 121.223 -0.117 0.000 5.704 169 L HA -0.467 3.873 4.340 -0.000 0.000 0.053 169 L C 1.690 178.446 176.870 -0.190 0.000 2.571 169 L CA 1.676 56.434 54.840 -0.138 0.000 1.641 169 L CB -1.656 40.334 42.059 -0.115 0.000 2.792 169 L HN 1.023 nan 8.230 nan 0.000 0.961 170 A N -1.334 121.305 122.820 -0.301 0.000 2.125 170 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 170 A C 1.225 178.513 177.584 -0.493 0.000 1.156 170 A CA 2.055 53.816 52.037 -0.460 0.000 0.671 170 A CB -0.623 17.958 19.000 -0.699 0.000 0.794 170 A HN 0.557 nan 8.150 nan 0.000 0.459 171 Y N -1.608 118.676 120.300 -0.027 0.000 2.720 171 Y HA 0.288 4.838 4.550 -0.000 0.000 0.268 171 Y C 1.362 177.251 175.900 -0.017 0.000 1.142 171 Y CA -0.686 57.419 58.100 0.009 0.000 1.193 171 Y CB 0.142 38.607 38.460 0.008 0.000 1.176 171 Y HN 0.215 nan 8.280 nan 0.000 0.542 172 L N -0.038 121.156 121.223 -0.047 0.000 2.021 172 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 172 L C 1.306 177.992 176.870 -0.306 0.000 1.074 172 L CA 2.216 56.873 54.840 -0.304 0.000 0.760 172 L CB -0.507 41.140 42.059 -0.687 0.000 0.889 172 L HN 0.285 nan 8.230 nan 0.000 0.433 173 F N -1.034 118.987 119.950 0.118 0.000 2.797 173 F HA 0.171 4.698 4.527 -0.000 0.000 0.302 173 F C 0.747 176.634 175.800 0.146 0.000 1.130 173 F CA -0.428 57.655 58.000 0.139 0.000 1.387 173 F CB -0.207 38.854 39.000 0.102 0.000 1.107 173 F HN -0.109 nan 8.300 nan 0.000 0.577 174 L N 3.246 124.631 121.223 0.270 0.000 2.349 174 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 174 L C -2.098 174.896 176.870 0.206 0.000 1.115 174 L CA -2.114 52.865 54.840 0.232 0.000 0.820 174 L CB 0.476 42.663 42.059 0.213 0.000 1.135 174 L HN -0.233 nan 8.230 nan 0.000 0.445 175 P HA 0.002 nan 4.420 nan 0.000 0.276 175 P C -0.732 176.686 177.300 0.196 0.000 1.253 175 P CA -0.267 62.956 63.100 0.207 0.000 0.766 175 P CB 0.553 32.382 31.700 0.213 0.000 0.845 176 N N 3.530 122.329 118.700 0.165 0.000 2.454 176 N HA -0.039 4.701 4.740 -0.000 0.000 0.260 176 N C 0.723 176.261 175.510 0.046 0.000 1.218 176 N CA 0.249 53.354 53.050 0.092 0.000 0.904 176 N CB 0.602 39.098 38.487 0.015 0.000 1.065 176 N HN 0.326 nan 8.380 nan 0.000 0.462 177 Q N 2.260 122.080 119.800 0.033 0.000 2.219 177 Q HA 0.141 4.481 4.340 -0.000 0.000 0.209 177 Q C 1.265 177.201 176.000 -0.108 0.000 0.854 177 Q CA -0.110 55.710 55.803 0.029 0.000 0.960 177 Q CB 0.324 29.096 28.738 0.057 0.000 1.116 177 Q HN 0.691 nan 8.270 nan 0.000 0.500 178 A N 0.847 123.601 122.820 -0.109 0.000 1.978 178 A HA -0.188 4.131 4.320 -0.000 0.000 0.220 178 A C 1.920 179.418 177.584 -0.143 0.000 1.170 178 A CA 1.227 53.231 52.037 -0.055 0.000 0.636 178 A CB 0.000 19.037 19.000 0.062 0.000 0.810 178 A HN 0.166 nan 8.150 nan 0.000 0.448 179 Q N -0.272 119.338 119.800 -0.317 0.000 2.425 179 Q HA 0.040 4.380 4.340 -0.000 0.000 0.204 179 Q C -0.309 175.612 176.000 -0.133 0.000 0.933 179 Q CA 0.300 55.968 55.803 -0.227 0.000 0.939 179 Q CB 0.043 28.653 28.738 -0.213 0.000 1.044 179 Q HN 0.743 nan 8.270 nan 0.000 0.513 180 H N 0.644 119.747 119.070 0.054 0.000 2.481 180 H HA 0.385 4.941 4.556 -0.000 0.000 0.339 180 H C 0.464 175.839 175.328 0.079 0.000 1.131 180 H CA 0.043 56.140 56.048 0.082 0.000 1.301 180 H CB 1.091 30.915 29.762 0.104 0.000 1.476 180 H HN -0.021 nan 8.280 nan 0.000 0.529 181 T N -0.557 114.144 114.554 0.246 0.000 2.906 181 T HA 0.466 4.816 4.350 -0.000 0.000 0.295 181 T C -2.865 171.970 174.700 0.224 0.000 1.075 181 T CA -2.073 60.151 62.100 0.206 0.000 1.005 181 T CB 2.292 71.264 68.868 0.174 0.000 1.136 181 T HN 0.262 nan 8.240 nan 0.000 0.498 182 P HA 0.281 nan 4.420 nan 0.000 0.277 182 P C 0.204 177.598 177.300 0.158 0.000 1.240 182 P CA -0.219 63.002 63.100 0.201 0.000 0.798 182 P CB 0.541 32.385 31.700 0.239 0.000 0.979 183 T N -1.476 113.144 114.554 0.109 0.000 2.849 183 T HA 0.094 4.444 4.350 -0.000 0.000 0.284 183 T C 1.273 176.022 174.700 0.081 0.000 1.004 183 T CA -0.209 61.942 62.100 0.084 0.000 1.021 183 T CB 0.709 69.609 68.868 0.053 0.000 1.013 183 T HN 0.253 nan 8.240 nan 0.000 0.527 184 Q N -0.194 119.647 119.800 0.068 0.000 2.170 184 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 184 Q C 2.339 178.364 176.000 0.042 0.000 0.976 184 Q CA 1.442 57.281 55.803 0.060 0.000 0.858 184 Q CB -0.410 28.358 28.738 0.049 0.000 0.907 184 Q HN 0.716 nan 8.270 nan 0.000 0.433 185 Q N 0.691 120.508 119.800 0.028 0.000 1.993 185 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 185 Q C 1.749 177.747 176.000 -0.005 0.000 0.984 185 Q CA 2.073 57.882 55.803 0.009 0.000 0.837 185 Q CB -0.190 28.549 28.738 0.002 0.000 0.902 185 Q HN 0.571 nan 8.270 nan 0.000 0.423 186 E N -0.007 120.191 120.200 -0.003 0.000 2.065 186 E HA -0.229 4.120 4.350 -0.000 0.000 0.201 186 E C 2.091 178.656 176.600 -0.058 0.000 1.016 186 E CA 1.344 57.722 56.400 -0.036 0.000 0.818 186 E CB -0.214 29.483 29.700 -0.005 0.000 0.749 186 E HN 0.141 nan 8.360 nan 0.000 0.453 187 L N 1.594 122.830 121.223 0.022 0.000 2.012 187 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 187 L C 1.621 178.517 176.870 0.044 0.000 1.073 187 L CA 1.833 56.723 54.840 0.083 0.000 0.748 187 L CB -0.537 41.610 42.059 0.147 0.000 0.891 187 L HN 0.141 nan 8.230 nan 0.000 0.431 188 N N -1.330 117.386 118.700 0.026 0.000 2.289 188 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 188 N C 1.404 176.901 175.510 -0.020 0.000 1.016 188 N CA 0.847 53.906 53.050 0.015 0.000 0.872 188 N CB -0.275 38.219 38.487 0.013 0.000 0.973 188 N HN 0.485 nan 8.380 nan 0.000 0.433 189 G N 0.312 109.075 108.800 -0.062 0.000 3.189 189 G HA2 0.028 3.988 3.960 -0.000 0.000 0.225 189 G HA3 0.028 3.988 3.960 -0.000 0.000 0.225 189 G C 0.049 174.835 174.900 -0.190 0.000 1.159 189 G CA -0.266 44.775 45.100 -0.097 0.000 0.763 189 G HN 0.113 nan 8.290 nan 0.000 0.549 190 K N 0.200 120.436 120.400 -0.274 0.000 3.071 190 K HA -0.186 4.133 4.320 -0.000 0.000 0.265 190 K C -0.633 175.365 176.600 -1.003 0.000 1.060 190 K CA 0.773 56.676 56.287 -0.641 0.000 0.767 190 K CB -0.869 31.456 32.500 -0.293 0.000 1.241 190 K HN 0.418 nan 8.250 nan 0.000 0.486 191 D N 0.560 120.532 120.400 -0.714 0.000 2.428 191 D HA 0.130 4.770 4.640 -0.000 0.000 0.221 191 D C -0.218 175.790 176.300 -0.486 0.000 1.123 191 D CA -0.264 53.447 54.000 -0.482 0.000 0.869 191 D CB 0.194 40.864 40.800 -0.217 0.000 1.032 191 D HN 0.245 nan 8.370 nan 0.000 0.506 192 Y N 2.553 122.733 120.300 -0.200 0.000 2.708 192 Y HA 0.078 4.628 4.550 -0.000 0.000 0.287 192 Y C 2.020 177.828 175.900 -0.153 0.000 1.145 192 Y CA -0.666 57.160 58.100 -0.456 0.000 1.249 192 Y CB 0.127 38.246 38.460 -0.568 0.000 1.152 192 Y HN 0.598 nan 8.280 nan 0.000 0.532 193 H N 0.946 120.012 119.070 -0.007 0.000 2.422 193 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 193 H C 1.793 177.199 175.328 0.129 0.000 1.098 193 H CA 1.961 58.044 56.048 0.059 0.000 1.315 193 H CB 0.289 30.070 29.762 0.032 0.000 1.382 193 H HN 0.480 nan 8.280 nan 0.000 0.523 194 T N -2.509 112.148 114.554 0.173 0.000 3.148 194 T HA -0.040 4.309 4.350 -0.000 0.000 0.253 194 T C 1.048 175.941 174.700 0.321 0.000 1.134 194 T CA -0.046 62.180 62.100 0.210 0.000 1.051 194 T CB -0.890 68.151 68.868 0.288 0.000 0.959 194 T HN 0.366 nan 8.240 nan 0.000 0.525 195 Y N 2.159 122.522 120.300 0.105 0.000 2.851 195 Y HA 0.402 4.952 4.550 -0.000 0.000 0.369 195 Y C 0.451 176.380 175.900 0.048 0.000 1.226 195 Y CA -0.907 57.244 58.100 0.085 0.000 1.949 195 Y CB -0.640 37.876 38.460 0.093 0.000 2.059 195 Y HN 0.178 nan 8.280 nan 0.000 0.420 196 M N 0.204 119.898 119.600 0.157 0.000 2.327 196 M HA 0.422 4.901 4.480 -0.000 0.000 0.298 196 M C 0.428 176.775 176.300 0.078 0.000 1.065 196 M CA -0.630 54.720 55.300 0.084 0.000 0.916 196 M CB 2.266 34.881 32.600 0.024 0.000 1.630 196 M HN 0.490 nan 8.290 nan 0.000 0.442 197 G N 2.139 110.986 108.800 0.079 0.000 2.298 197 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.287 197 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.287 197 G C -0.573 174.419 174.900 0.154 0.000 1.075 197 G CA -0.084 45.086 45.100 0.115 0.000 0.960 197 G HN 0.513 nan 8.290 nan 0.000 0.502 198 K N -1.042 119.417 120.400 0.099 0.000 2.480 198 K HA 0.706 5.026 4.320 -0.000 0.000 0.258 198 K C -0.396 176.191 176.600 -0.021 0.000 0.990 198 K CA -0.962 55.388 56.287 0.105 0.000 0.857 198 K CB 2.453 34.937 32.500 -0.026 0.000 1.384 198 K HN 0.175 nan 8.250 nan 0.000 0.446 199 V N 2.948 122.869 119.914 0.010 0.000 2.347 199 V HA 0.352 4.472 4.120 -0.000 0.000 0.280 199 V C 0.085 176.211 176.094 0.053 0.000 1.021 199 V CA -0.785 61.495 62.300 -0.032 0.000 0.847 199 V CB 0.815 32.646 31.823 0.014 0.000 0.990 199 V HN 0.462 nan 8.190 nan 0.000 0.444 200 L N 5.169 126.392 121.223 -0.000 0.000 2.379 200 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 200 L C 0.263 177.072 176.870 -0.101 0.000 1.084 200 L CA -0.540 54.274 54.840 -0.044 0.000 0.802 200 L CB 1.129 43.136 42.059 -0.086 0.000 1.175 200 L HN 0.557 nan 8.230 nan 0.000 0.448 201 R N 2.962 123.364 120.500 -0.163 0.000 2.483 201 R HA 0.589 4.929 4.340 -0.000 0.000 0.303 201 R C -1.740 174.428 176.300 -0.220 0.000 0.987 201 R CA -0.623 55.202 56.100 -0.460 0.000 0.881 201 R CB 1.015 30.907 30.300 -0.680 0.000 1.177 201 R HN 0.388 nan 8.270 nan 0.000 0.451 202 L N 2.439 123.530 121.223 -0.220 0.000 2.341 202 L HA 0.497 4.836 4.340 -0.000 0.000 0.267 202 L C 0.046 176.849 176.870 -0.112 0.000 1.009 202 L CA -1.198 53.605 54.840 -0.062 0.000 0.819 202 L CB 1.220 43.256 42.059 -0.038 0.000 1.323 202 L HN 0.615 nan 8.230 nan 0.000 0.425 203 N N 0.641 119.311 118.700 -0.049 0.000 2.444 203 N HA 0.228 4.968 4.740 -0.000 0.000 0.255 203 N C 1.337 176.806 175.510 -0.067 0.000 1.255 203 N CA -0.298 52.717 53.050 -0.059 0.000 0.933 203 N CB 1.056 39.528 38.487 -0.024 0.000 1.143 203 N HN 0.535 nan 8.380 nan 0.000 0.453 204 L N 0.260 121.438 121.223 -0.074 0.000 2.353 204 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 204 L C 1.145 178.016 176.870 0.001 0.000 1.133 204 L CA 1.070 55.867 54.840 -0.071 0.000 0.798 204 L CB -0.359 41.680 42.059 -0.033 0.000 0.922 204 L HN 0.576 nan 8.230 nan 0.000 0.445 205 D N -1.203 119.195 120.400 -0.004 0.000 2.349 205 D HA 0.071 4.711 4.640 -0.000 0.000 0.214 205 D C 1.430 177.736 176.300 0.010 0.000 1.063 205 D CA 0.671 54.672 54.000 0.001 0.000 0.847 205 D CB 0.373 41.170 40.800 -0.004 0.000 0.933 205 D HN 0.193 nan 8.370 nan 0.000 0.513 206 G N 0.248 109.054 108.800 0.011 0.000 2.195 206 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 206 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 206 G C 0.496 175.480 174.900 0.140 0.000 0.984 206 G CA 0.415 45.528 45.100 0.022 0.000 0.633 206 G HN 0.794 nan 8.290 nan 0.000 0.525 207 S N -0.225 115.541 115.700 0.111 0.000 2.634 207 S HA 0.683 5.153 4.470 -0.000 0.000 0.261 207 S C 0.523 175.163 174.600 0.067 0.000 1.271 207 S CA -0.559 57.716 58.200 0.125 0.000 0.985 207 S CB 1.295 64.525 63.200 0.051 0.000 0.968 207 S HN 0.596 nan 8.310 nan 0.000 0.568 208 I N 2.111 122.627 120.570 -0.090 0.000 2.396 208 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 208 I C -2.259 173.805 176.117 -0.088 0.000 1.056 208 I CA -2.219 58.945 61.300 -0.226 0.000 1.365 208 I CB 0.508 38.323 38.000 -0.309 0.000 1.407 208 I HN 0.425 nan 8.210 nan 0.000 0.509 209 P HA -0.000 nan 4.420 nan 0.000 0.263 209 P C 0.301 177.590 177.300 -0.018 0.000 1.195 209 P CA -0.252 62.827 63.100 -0.036 0.000 0.762 209 P CB 0.434 32.109 31.700 -0.041 0.000 0.799 210 K N 2.439 122.834 120.400 -0.009 0.000 2.360 210 K HA -0.147 4.173 4.320 -0.000 0.000 0.201 210 K C 0.334 176.940 176.600 0.009 0.000 1.046 210 K CA 1.447 57.734 56.287 -0.001 0.000 0.945 210 K CB -0.305 32.195 32.500 0.001 0.000 0.750 210 K HN 0.370 nan 8.250 nan 0.000 0.464 211 D N -0.089 120.321 120.400 0.018 0.000 2.424 211 D HA 0.069 4.709 4.640 -0.000 0.000 0.220 211 D C -0.398 175.937 176.300 0.060 0.000 1.150 211 D CA -0.557 53.463 54.000 0.033 0.000 0.831 211 D CB -0.317 40.506 40.800 0.038 0.000 0.981 211 D HN -0.050 nan 8.370 nan 0.000 0.500 212 N N 2.509 121.244 118.700 0.059 0.000 2.415 212 N HA 0.185 4.924 4.740 -0.000 0.000 0.248 212 N C -2.183 173.365 175.510 0.064 0.000 1.271 212 N CA -1.056 52.058 53.050 0.107 0.000 0.913 212 N CB 0.408 38.955 38.487 0.100 0.000 1.129 212 N HN 0.102 nan 8.380 nan 0.000 0.444 213 P HA 0.056 nan 4.420 nan 0.000 0.274 213 P C -0.725 176.510 177.300 -0.108 0.000 1.246 213 P CA -0.293 62.744 63.100 -0.104 0.000 0.795 213 P CB 0.663 32.214 31.700 -0.248 0.000 1.006 214 S N 0.635 116.202 115.700 -0.221 0.000 2.462 214 S HA 0.614 5.084 4.470 -0.000 0.000 0.294 214 S C -1.289 173.129 174.600 -0.303 0.000 1.144 214 S CA -0.575 57.544 58.200 -0.135 0.000 1.088 214 S CB -0.507 62.646 63.200 -0.077 0.000 1.009 214 S HN 0.226 nan 8.310 nan 0.000 0.484 215 F N 3.253 123.236 119.950 0.055 0.000 2.493 215 F HA 0.423 4.950 4.527 -0.000 0.000 0.329 215 F C 0.844 176.687 175.800 0.072 0.000 1.126 215 F CA -0.709 57.331 58.000 0.066 0.000 0.937 215 F CB 1.311 40.364 39.000 0.089 0.000 1.146 215 F HN 0.796 nan 8.300 nan 0.000 0.442 216 N N 1.820 120.655 118.700 0.224 0.000 2.696 216 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 216 N C 0.823 176.401 175.510 0.113 0.000 1.090 216 N CA 0.758 53.901 53.050 0.155 0.000 0.716 216 N CB -0.877 37.718 38.487 0.179 0.000 1.020 216 N HN 1.176 nan 8.380 nan 0.000 0.548 217 G N -2.657 106.193 108.800 0.083 0.000 2.141 217 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 217 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 217 G C -0.125 174.817 174.900 0.071 0.000 0.982 217 G CA 0.158 45.293 45.100 0.059 0.000 0.662 217 G HN 0.467 nan 8.290 nan 0.000 0.527 218 V N 0.078 120.055 119.914 0.106 0.000 2.841 218 V HA 0.629 4.749 4.120 -0.000 0.000 0.310 218 V C 0.181 176.355 176.094 0.134 0.000 1.090 218 V CA -0.919 61.450 62.300 0.114 0.000 0.930 218 V CB 2.283 34.188 31.823 0.138 0.000 1.014 218 V HN 0.304 nan 8.190 nan 0.000 0.425 219 V N 4.096 124.069 119.914 0.099 0.000 2.364 219 V HA 0.599 4.719 4.120 -0.000 0.000 0.272 219 V C 0.490 176.644 176.094 0.101 0.000 1.036 219 V CA 0.140 62.496 62.300 0.094 0.000 0.880 219 V CB 1.029 32.879 31.823 0.045 0.000 0.991 219 V HN 1.094 nan 8.190 nan 0.000 0.460 220 S N 2.563 118.352 115.700 0.148 0.000 2.921 220 S HA 0.432 4.902 4.470 -0.000 0.000 0.315 220 S C 0.731 175.351 174.600 0.034 0.000 1.087 220 S CA -0.586 57.701 58.200 0.144 0.000 0.877 220 S CB 0.902 64.311 63.200 0.348 0.000 1.340 220 S HN 0.630 nan 8.310 nan 0.000 0.622 221 H N -0.298 118.842 119.070 0.117 0.000 2.546 221 H HA 0.369 4.925 4.556 -0.000 0.000 0.277 221 H C -0.045 175.189 175.328 -0.156 0.000 1.004 221 H CA 0.514 56.516 56.048 -0.076 0.000 1.231 221 H CB -0.426 29.225 29.762 -0.186 0.000 1.382 221 H HN 0.322 nan 8.280 nan 0.000 0.580 222 I N 0.844 121.389 120.570 -0.043 0.000 2.618 222 I HA -0.193 3.976 4.170 -0.000 0.000 0.284 222 I C 0.827 177.096 176.117 0.253 0.000 1.146 222 I CA 0.399 61.686 61.300 -0.021 0.000 1.425 222 I CB 0.501 38.435 38.000 -0.111 0.000 1.383 222 I HN 0.238 nan 8.210 nan 0.000 0.562 223 Y N 5.493 125.858 120.300 0.107 0.000 2.506 223 Y HA 0.088 4.638 4.550 -0.000 0.000 0.287 223 Y C 1.098 177.214 175.900 0.360 0.000 1.147 223 Y CA 0.521 58.751 58.100 0.217 0.000 1.241 223 Y CB 0.586 39.121 38.460 0.125 0.000 1.279 223 Y HN 0.642 nan 8.280 nan 0.000 0.527 224 T N -0.221 114.519 114.554 0.310 0.000 2.896 224 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 224 T C -1.016 173.770 174.700 0.144 0.000 1.108 224 T CA -0.602 61.683 62.100 0.308 0.000 1.004 224 T CB 2.048 71.174 68.868 0.430 0.000 1.159 224 T HN 0.254 nan 8.240 nan 0.000 0.499 225 L N -1.597 119.646 121.223 0.034 0.000 2.230 225 L HA 1.012 5.352 4.340 -0.000 0.000 0.255 225 L C 0.721 177.500 176.870 -0.152 0.000 1.039 225 L CA -0.230 54.557 54.840 -0.088 0.000 0.846 225 L CB 0.291 42.174 42.059 -0.294 0.000 1.419 225 L HN 1.371 nan 8.230 nan 0.000 0.435 226 G N -0.433 108.294 108.800 -0.122 0.000 2.248 226 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.263 226 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.263 226 G C -0.254 174.545 174.900 -0.168 0.000 1.082 226 G CA 0.236 45.273 45.100 -0.105 0.000 0.863 226 G HN 0.952 nan 8.290 nan 0.000 0.495 227 H N -1.404 117.730 119.070 0.106 0.000 2.621 227 H HA 0.537 5.093 4.556 -0.000 0.000 0.360 227 H C 0.976 176.246 175.328 -0.096 0.000 1.163 227 H CA -0.286 55.753 56.048 -0.015 0.000 1.194 227 H CB 2.021 31.717 29.762 -0.111 0.000 1.649 227 H HN 0.279 nan 8.280 nan 0.000 0.532 228 R N 1.150 121.452 120.500 -0.330 0.000 1.986 228 R HA 0.096 4.436 4.340 -0.000 0.000 0.208 228 R C 0.039 176.063 176.300 -0.461 0.000 1.376 228 R CA 0.285 55.944 56.100 -0.734 0.000 1.075 228 R CB 0.372 29.694 30.300 -1.630 0.000 0.925 228 R HN 0.639 nan 8.270 nan 0.000 0.475 229 N N 1.353 119.741 118.700 -0.520 0.000 2.750 229 N HA 0.276 5.016 4.740 -0.000 0.000 0.253 229 N C -2.662 172.673 175.510 -0.292 0.000 1.408 229 N CA -1.580 51.236 53.050 -0.389 0.000 0.780 229 N CB 1.770 39.929 38.487 -0.547 0.000 1.191 229 N HN 0.129 nan 8.380 nan 0.000 0.511 230 P HA 0.139 nan 4.420 nan 0.000 0.268 230 P C -0.236 176.930 177.300 -0.224 0.000 1.541 230 P CA 0.123 63.060 63.100 -0.272 0.000 1.093 230 P CB 0.811 32.279 31.700 -0.388 0.000 1.551 231 Q N 1.351 121.052 119.800 -0.165 0.000 2.403 231 Q HA 0.179 4.518 4.340 -0.000 0.000 0.203 231 Q C 0.996 176.937 176.000 -0.099 0.000 0.932 231 Q CA 0.079 55.818 55.803 -0.106 0.000 0.945 231 Q CB 0.503 29.207 28.738 -0.056 0.000 1.045 231 Q HN 0.456 nan 8.270 nan 0.000 0.511 232 G N 0.835 109.558 108.800 -0.128 0.000 2.530 232 G HA2 0.577 4.537 3.960 -0.000 0.000 0.316 232 G HA3 0.577 4.537 3.960 -0.000 0.000 0.316 232 G C -1.782 173.025 174.900 -0.154 0.000 1.298 232 G CA -0.298 44.739 45.100 -0.105 0.000 0.948 232 G HN 0.023 nan 8.290 nan 0.000 0.486 233 L N 1.747 122.887 121.223 -0.137 0.000 2.516 233 L HA 0.829 5.169 4.340 -0.000 0.000 0.267 233 L C -0.603 176.154 176.870 -0.188 0.000 0.957 233 L CA -0.388 54.328 54.840 -0.206 0.000 0.860 233 L CB 1.948 43.882 42.059 -0.208 0.000 1.265 233 L HN 0.994 nan 8.230 nan 0.000 0.403 234 A N 4.079 126.730 122.820 -0.283 0.000 2.513 234 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 234 A C -1.511 175.851 177.584 -0.371 0.000 1.052 234 A CA -0.393 51.504 52.037 -0.232 0.000 0.714 234 A CB 0.607 19.519 19.000 -0.146 0.000 1.279 234 A HN 0.449 nan 8.150 nan 0.000 0.397 235 F N 1.732 121.539 119.950 -0.239 0.000 2.389 235 F HA 0.471 4.998 4.527 -0.000 0.000 0.337 235 F C 1.681 177.288 175.800 -0.320 0.000 1.112 235 F CA 0.925 58.758 58.000 -0.279 0.000 1.192 235 F CB 1.663 40.502 39.000 -0.269 0.000 1.185 235 F HN 0.675 nan 8.300 nan 0.000 0.552 236 T N -0.151 114.277 114.554 -0.210 0.000 2.881 236 T HA 0.319 4.669 4.350 -0.000 0.000 0.278 236 T C -2.002 172.515 174.700 -0.306 0.000 0.982 236 T CA -1.851 59.949 62.100 -0.500 0.000 0.989 236 T CB 1.485 69.737 68.868 -1.026 0.000 1.058 236 T HN 0.266 nan 8.240 nan 0.000 0.529 237 P HA -0.006 nan 4.420 nan 0.000 0.220 237 P C 0.790 178.040 177.300 -0.083 0.000 1.148 237 P CA 0.932 63.952 63.100 -0.133 0.000 0.803 237 P CB -0.310 31.358 31.700 -0.054 0.000 0.782 238 N N -1.912 116.737 118.700 -0.084 0.000 2.276 238 N HA 0.188 4.928 4.740 -0.000 0.000 0.212 238 N C 0.915 176.412 175.510 -0.021 0.000 1.127 238 N CA 0.301 53.343 53.050 -0.015 0.000 0.834 238 N CB -0.295 38.227 38.487 0.058 0.000 1.014 238 N HN 0.002 nan 8.380 nan 0.000 0.491 239 G N 0.499 109.277 108.800 -0.037 0.000 2.157 239 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 239 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 239 G C -0.137 174.838 174.900 0.125 0.000 0.979 239 G CA -0.050 45.065 45.100 0.024 0.000 0.650 239 G HN 0.406 nan 8.290 nan 0.000 0.529 240 K N -0.689 119.728 120.400 0.027 0.000 2.107 240 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 240 K C -0.451 176.060 176.600 -0.149 0.000 1.012 240 K CA -0.791 55.487 56.287 -0.016 0.000 0.920 240 K CB 1.342 33.821 32.500 -0.036 0.000 1.033 240 K HN 0.131 nan 8.250 nan 0.000 0.478 241 L N 3.175 124.234 121.223 -0.273 0.000 2.316 241 L HA 0.361 4.701 4.340 -0.000 0.000 0.280 241 L C -1.311 175.333 176.870 -0.377 0.000 1.006 241 L CA -0.233 54.241 54.840 -0.611 0.000 0.836 241 L CB 0.723 42.297 42.059 -0.808 0.000 1.221 241 L HN 0.484 nan 8.230 nan 0.000 0.418 242 L N 4.181 125.187 121.223 -0.362 0.000 2.375 242 L HA 0.652 4.992 4.340 -0.000 0.000 0.268 242 L C -0.217 176.497 176.870 -0.259 0.000 1.058 242 L CA -0.507 54.191 54.840 -0.238 0.000 0.803 242 L CB 1.566 43.524 42.059 -0.168 0.000 1.212 242 L HN 0.602 nan 8.230 nan 0.000 0.451 243 Q N 1.365 121.041 119.800 -0.208 0.000 2.391 243 Q HA 0.422 4.762 4.340 -0.000 0.000 0.279 243 Q C -1.732 174.161 176.000 -0.178 0.000 1.028 243 Q CA -0.542 55.127 55.803 -0.223 0.000 0.836 243 Q CB 2.636 31.199 28.738 -0.291 0.000 1.414 243 Q HN 0.727 nan 8.270 nan 0.000 0.397 244 S N 1.623 117.221 115.700 -0.169 0.000 2.532 244 S HA 0.769 5.239 4.470 -0.000 0.000 0.301 244 S C -0.802 173.691 174.600 -0.178 0.000 1.083 244 S CA -0.568 57.542 58.200 -0.151 0.000 1.025 244 S CB 2.262 65.397 63.200 -0.109 0.000 1.056 244 S HN 0.632 nan 8.310 nan 0.000 0.494 245 E N 1.019 121.108 120.200 -0.185 0.000 2.304 245 E HA 0.199 4.549 4.350 -0.000 0.000 0.277 245 E C -1.280 175.175 176.600 -0.241 0.000 0.898 245 E CA -0.516 55.752 56.400 -0.219 0.000 0.764 245 E CB 1.566 31.139 29.700 -0.212 0.000 1.216 245 E HN 0.757 nan 8.360 nan 0.000 0.419 246 Q N 1.914 121.550 119.800 -0.274 0.000 2.304 246 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 246 Q C 0.155 175.906 176.000 -0.415 0.000 0.965 246 Q CA -0.077 55.557 55.803 -0.282 0.000 0.898 246 Q CB 1.652 30.236 28.738 -0.257 0.000 1.196 246 Q HN 0.616 nan 8.270 nan 0.000 0.402 247 G N 2.974 111.568 108.800 -0.344 0.000 2.557 247 G HA2 0.444 4.404 3.960 -0.000 0.000 0.302 247 G HA3 0.444 4.404 3.960 -0.000 0.000 0.302 247 G C -2.096 172.615 174.900 -0.315 0.000 1.311 247 G CA -0.968 43.872 45.100 -0.433 0.000 1.030 247 G HN 0.357 nan 8.290 nan 0.000 0.509 248 P HA 0.022 nan 4.420 nan 0.000 0.214 248 P C 0.449 177.669 177.300 -0.133 0.000 1.110 248 P CA 0.455 63.481 63.100 -0.122 0.000 0.659 248 P CB 0.557 32.267 31.700 0.017 0.000 0.803 249 N N -0.991 117.471 118.700 -0.397 0.000 2.398 249 N HA 0.035 4.775 4.740 -0.000 0.000 0.188 249 N C 0.547 175.971 175.510 -0.144 0.000 1.122 249 N CA 0.270 52.907 53.050 -0.689 0.000 0.866 249 N CB -0.172 37.324 38.487 -1.651 0.000 0.970 249 N HN 0.359 nan 8.380 nan 0.000 0.462 250 S N -1.783 113.872 115.700 -0.075 0.000 2.688 250 S HA 0.352 4.822 4.470 -0.000 0.000 0.275 250 S C -1.291 173.273 174.600 -0.061 0.000 1.175 250 S CA -0.907 57.303 58.200 0.017 0.000 0.818 250 S CB 1.713 64.959 63.200 0.077 0.000 1.157 250 S HN 0.076 nan 8.310 nan 0.000 0.482 251 D N 0.971 121.341 120.400 -0.051 0.000 2.705 251 D HA -0.100 4.540 4.640 -0.000 0.000 0.240 251 D C -1.024 175.162 176.300 -0.190 0.000 1.137 251 D CA 1.107 55.035 54.000 -0.119 0.000 0.677 251 D CB -1.187 39.537 40.800 -0.127 0.000 1.049 251 D HN 0.580 nan 8.370 nan 0.000 0.427 252 D N 1.090 121.376 120.400 -0.190 0.000 2.368 252 D HA 0.227 4.867 4.640 -0.000 0.000 0.240 252 D C 0.865 177.024 176.300 -0.235 0.000 1.169 252 D CA 0.630 54.498 54.000 -0.220 0.000 0.906 252 D CB 0.831 41.505 40.800 -0.210 0.000 1.187 252 D HN 0.258 nan 8.370 nan 0.000 0.435 253 E N 0.158 120.226 120.200 -0.220 0.000 2.343 253 E HA 0.420 4.770 4.350 -0.000 0.000 0.270 253 E C -0.655 175.838 176.600 -0.179 0.000 0.895 253 E CA -0.820 55.458 56.400 -0.204 0.000 0.767 253 E CB 2.081 31.677 29.700 -0.174 0.000 1.248 253 E HN 0.186 nan 8.360 nan 0.000 0.440 254 I N 2.624 123.097 120.570 -0.161 0.000 2.330 254 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 254 I C -0.398 175.658 176.117 -0.101 0.000 1.001 254 I CA -0.621 60.601 61.300 -0.130 0.000 1.193 254 I CB 0.507 38.438 38.000 -0.115 0.000 1.345 254 I HN 0.392 nan 8.210 nan 0.000 0.461 255 N N 5.077 123.718 118.700 -0.098 0.000 2.335 255 N HA 0.467 5.207 4.740 -0.000 0.000 0.304 255 N C -0.994 174.481 175.510 -0.058 0.000 1.135 255 N CA -0.645 52.376 53.050 -0.048 0.000 0.817 255 N CB 3.096 41.544 38.487 -0.065 0.000 1.294 255 N HN 0.347 nan 8.380 nan 0.000 0.497 256 L N 2.562 123.798 121.223 0.022 0.000 2.265 256 L HA 0.452 4.792 4.340 -0.000 0.000 0.289 256 L C -0.819 176.096 176.870 0.074 0.000 1.033 256 L CA -0.441 54.406 54.840 0.012 0.000 0.814 256 L CB 0.358 42.437 42.059 0.032 0.000 1.203 256 L HN 0.366 nan 8.230 nan 0.000 0.423 257 I N 6.919 127.477 120.570 -0.020 0.000 2.337 257 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 257 I C 0.013 176.228 176.117 0.164 0.000 1.046 257 I CA -0.275 61.046 61.300 0.036 0.000 1.324 257 I CB 1.077 39.031 38.000 -0.076 0.000 1.409 257 I HN 0.453 nan 8.210 nan 0.000 0.494 258 V N 3.992 124.046 119.914 0.232 0.000 2.604 258 V HA 0.495 4.615 4.120 -0.000 0.000 0.305 258 V C 0.130 176.196 176.094 -0.046 0.000 1.043 258 V CA -1.296 61.076 62.300 0.121 0.000 0.888 258 V CB 1.780 33.651 31.823 0.080 0.000 0.995 258 V HN 0.780 nan 8.190 nan 0.000 0.429 259 K N 3.079 123.351 120.400 -0.213 0.000 2.473 259 K HA 0.280 4.600 4.320 -0.000 0.000 0.277 259 K C 1.259 177.672 176.600 -0.311 0.000 1.052 259 K CA 1.436 57.368 56.287 -0.591 0.000 1.114 259 K CB -0.311 32.048 32.500 -0.235 0.000 0.869 259 K HN 1.979 nan 8.250 nan 0.000 0.481 260 G N 2.571 111.206 108.800 -0.275 0.000 2.179 260 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 260 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 260 G C 0.396 175.355 174.900 0.097 0.000 0.977 260 G CA -0.023 44.978 45.100 -0.165 0.000 0.641 260 G HN 0.975 nan 8.290 nan 0.000 0.533 261 G N -0.429 108.459 108.800 0.146 0.000 2.527 261 G HA2 0.416 4.376 3.960 -0.000 0.000 0.248 261 G HA3 0.416 4.376 3.960 -0.000 0.000 0.248 261 G C -0.119 174.902 174.900 0.202 0.000 1.231 261 G CA 0.259 45.418 45.100 0.098 0.000 0.838 261 G HN 0.478 nan 8.290 nan 0.000 0.570 262 N N 0.430 119.120 118.700 -0.016 0.000 2.443 262 N HA 0.205 4.944 4.740 -0.000 0.000 0.269 262 N C -0.608 174.828 175.510 -0.123 0.000 0.985 262 N CA -0.711 52.398 53.050 0.098 0.000 0.921 262 N CB 1.153 39.804 38.487 0.274 0.000 1.195 262 N HN 0.408 nan 8.380 nan 0.000 0.492 263 Y N 1.876 122.130 120.300 -0.076 0.000 2.470 263 Y HA 0.236 4.786 4.550 -0.000 0.000 0.284 263 Y C 1.885 177.844 175.900 0.098 0.000 1.188 263 Y CA 0.496 58.529 58.100 -0.112 0.000 1.269 263 Y CB 0.135 38.364 38.460 -0.384 0.000 1.094 263 Y HN 0.815 nan 8.280 nan 0.000 0.518 264 G N -0.747 108.177 108.800 0.205 0.000 2.267 264 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 264 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 264 G C 0.441 175.086 174.900 -0.425 0.000 0.998 264 G CA 0.103 45.114 45.100 -0.149 0.000 0.620 264 G HN 0.470 nan 8.290 nan 0.000 0.529 265 W N 2.838 123.925 121.300 -0.356 0.000 2.181 265 W HA 0.426 5.085 4.660 -0.000 0.000 0.335 265 W C -1.483 174.764 176.519 -0.454 0.000 1.310 265 W CA -0.936 56.172 57.345 -0.395 0.000 1.226 265 W CB 1.323 30.628 29.460 -0.259 0.000 1.155 265 W HN 0.129 nan 8.180 nan 0.000 0.565 266 P HA 0.023 nan 4.420 nan 0.000 0.261 266 P C 0.248 176.629 177.300 -1.532 0.000 1.268 266 P CA 0.625 62.387 63.100 -2.229 0.000 0.833 266 P CB 0.309 30.698 31.700 -2.184 0.000 1.231 267 N N -0.300 117.617 118.700 -1.305 0.000 2.331 267 N HA -0.012 4.728 4.740 -0.000 0.000 0.180 267 N C 0.166 175.316 175.510 -0.601 0.000 1.019 267 N CA 0.867 53.296 53.050 -1.035 0.000 0.881 267 N CB 0.019 37.553 38.487 -1.589 0.000 0.972 267 N HN 0.006 nan 8.380 nan 0.000 0.435 268 V N 0.096 119.641 119.914 -0.615 0.000 2.577 268 V HA 0.678 4.798 4.120 -0.000 0.000 0.303 268 V C -0.850 175.142 176.094 -0.171 0.000 1.042 268 V CA -1.296 60.815 62.300 -0.314 0.000 0.872 268 V CB 1.637 33.162 31.823 -0.498 0.000 0.998 268 V HN 0.042 nan 8.190 nan 0.000 0.423 269 A N 3.580 126.268 122.820 -0.221 0.000 2.249 269 A HA 0.873 5.193 4.320 -0.000 0.000 0.314 269 A C 0.842 178.360 177.584 -0.110 0.000 1.290 269 A CA 0.426 52.305 52.037 -0.264 0.000 0.893 269 A CB 0.420 18.976 19.000 -0.740 0.000 1.165 269 A HN 2.137 nan 8.150 nan 0.000 0.530 270 G N 1.646 110.389 108.800 -0.097 0.000 2.527 270 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.268 270 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.268 270 G C 0.014 174.879 174.900 -0.059 0.000 1.175 270 G CA 0.347 45.344 45.100 -0.173 0.000 0.962 270 G HN 1.004 nan 8.290 nan 0.000 0.560 271 Y N 1.132 121.515 120.300 0.139 0.000 2.357 271 Y HA 0.423 4.973 4.550 -0.000 0.000 0.340 271 Y C 1.411 177.422 175.900 0.185 0.000 1.260 271 Y CA 0.565 58.786 58.100 0.201 0.000 1.425 271 Y CB 0.629 39.167 38.460 0.130 0.000 1.326 271 Y HN 0.469 nan 8.280 nan 0.000 0.580 272 K N 2.573 123.202 120.400 0.381 0.000 2.111 272 K HA 0.005 4.325 4.320 -0.000 0.000 0.249 272 K C -0.823 175.876 176.600 0.165 0.000 1.157 272 K CA -0.060 56.318 56.287 0.151 0.000 1.048 272 K CB -0.358 32.161 32.500 0.032 0.000 1.498 272 K HN 0.781 nan 8.250 nan 0.000 0.344 273 D N 0.844 121.344 120.400 0.168 0.000 2.500 273 D HA -0.005 4.635 4.640 -0.000 0.000 0.217 273 D C -0.369 175.997 176.300 0.111 0.000 1.159 273 D CA -0.256 53.826 54.000 0.137 0.000 0.828 273 D CB 0.218 41.115 40.800 0.161 0.000 1.039 273 D HN 0.319 nan 8.370 nan 0.000 0.512 274 D N -0.081 120.388 120.400 0.115 0.000 2.811 274 D HA -0.180 4.460 4.640 -0.000 0.000 0.231 274 D C -0.760 175.605 176.300 0.108 0.000 1.157 274 D CA 1.006 55.066 54.000 0.100 0.000 0.716 274 D CB -1.738 39.102 40.800 0.068 0.000 1.077 274 D HN 0.262 nan 8.370 nan 0.000 0.428 275 S N -1.289 114.495 115.700 0.140 0.000 2.669 275 S HA 0.520 4.990 4.470 -0.000 0.000 0.315 275 S C 1.138 175.843 174.600 0.176 0.000 1.106 275 S CA 0.537 58.819 58.200 0.137 0.000 1.107 275 S CB 1.127 64.399 63.200 0.121 0.000 0.990 275 S HN 0.731 nan 8.310 nan 0.000 0.471 276 G N 3.231 112.142 108.800 0.184 0.000 2.179 276 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 276 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 276 G C -0.289 174.806 174.900 0.325 0.000 0.977 276 G CA 0.783 46.039 45.100 0.260 0.000 0.641 276 G HN 1.048 nan 8.290 nan 0.000 0.533 277 Y N 0.177 120.542 120.300 0.108 0.000 2.544 277 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 277 Y C -0.549 175.378 175.900 0.045 0.000 1.062 277 Y CA -0.161 57.976 58.100 0.062 0.000 1.023 277 Y CB 1.640 40.135 38.460 0.058 0.000 1.308 277 Y HN 0.957 nan 8.280 nan 0.000 0.457 278 A N 3.416 125.741 122.820 -0.826 0.000 2.587 278 A HA 0.539 4.859 4.320 -0.000 0.000 0.293 278 A C -2.612 174.404 177.584 -0.947 0.000 1.087 278 A CA -0.667 50.986 52.037 -0.640 0.000 0.692 278 A CB 1.021 19.856 19.000 -0.275 0.000 1.291 278 A HN 0.745 nan 8.150 nan 0.000 0.407 279 Y N 1.911 121.842 120.300 -0.617 0.000 2.477 279 Y HA 0.552 5.102 4.550 -0.000 0.000 0.349 279 Y C 0.213 175.909 175.900 -0.339 0.000 0.977 279 Y CA -1.135 56.688 58.100 -0.461 0.000 1.214 279 Y CB 0.371 38.650 38.460 -0.302 0.000 1.124 279 Y HN 0.838 nan 8.280 nan 0.000 0.521 280 A N 6.301 128.833 122.820 -0.479 0.000 2.280 280 A HA 0.260 4.580 4.320 -0.000 0.000 0.320 280 A C -0.171 176.928 177.584 -0.809 0.000 1.366 280 A CA -0.771 50.895 52.037 -0.617 0.000 0.938 280 A CB -0.248 18.488 19.000 -0.440 0.000 1.157 280 A HN 0.902 nan 8.150 nan 0.000 0.536 281 N N 2.889 121.022 118.700 -0.946 0.000 2.602 281 N HA 0.213 4.953 4.740 -0.000 0.000 0.238 281 N C -0.094 175.158 175.510 -0.430 0.000 1.084 281 N CA -0.363 52.265 53.050 -0.702 0.000 0.952 281 N CB 0.202 38.267 38.487 -0.705 0.000 1.244 281 N HN 0.687 nan 8.380 nan 0.000 0.512 282 Y N 1.149 121.360 120.300 -0.148 0.000 2.352 282 Y HA -0.204 4.346 4.550 -0.000 0.000 0.292 282 Y C 2.713 178.689 175.900 0.125 0.000 1.136 282 Y CA 0.984 59.040 58.100 -0.073 0.000 1.227 282 Y CB -0.015 38.241 38.460 -0.341 0.000 0.991 282 Y HN 0.612 nan 8.280 nan 0.000 0.545 283 S N -0.354 115.474 115.700 0.213 0.000 2.442 283 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 283 S C 1.838 176.534 174.600 0.159 0.000 1.007 283 S CA 0.756 59.102 58.200 0.243 0.000 0.965 283 S CB -0.405 62.913 63.200 0.196 0.000 0.773 283 S HN 0.322 nan 8.310 nan 0.000 0.504 284 A N 0.621 123.481 122.820 0.067 0.000 2.308 284 A HA 0.773 5.093 4.320 -0.000 0.000 0.217 284 A C 1.059 178.649 177.584 0.010 0.000 1.216 284 A CA 0.131 52.179 52.037 0.018 0.000 0.864 284 A CB -0.568 18.406 19.000 -0.042 0.000 0.902 284 A HN 0.754 nan 8.150 nan 0.000 0.499 285 A N -0.715 122.143 122.820 0.064 0.000 2.406 285 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 285 A C 1.639 179.264 177.584 0.067 0.000 1.082 285 A CA 0.317 52.398 52.037 0.072 0.000 0.786 285 A CB -0.006 19.126 19.000 0.221 0.000 1.029 285 A HN 1.084 nan 8.150 nan 0.000 0.495 286 A N 1.489 124.334 122.820 0.042 0.000 1.835 286 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 286 A C 1.050 178.637 177.584 0.005 0.000 1.199 286 A CA 1.895 53.943 52.037 0.019 0.000 0.615 286 A CB -0.612 18.396 19.000 0.013 0.000 0.838 286 A HN 0.834 nan 8.150 nan 0.000 0.444 287 N N -1.084 117.622 118.700 0.010 0.000 2.384 287 N HA 0.399 5.138 4.740 -0.000 0.000 0.301 287 N C -0.036 175.390 175.510 -0.140 0.000 1.133 287 N CA -0.550 52.471 53.050 -0.048 0.000 0.853 287 N CB 1.169 39.641 38.487 -0.026 0.000 1.241 287 N HN -0.012 nan 8.380 nan 0.000 0.502 288 K N -0.066 120.120 120.400 -0.356 0.000 2.504 288 K HA 0.074 4.394 4.320 -0.000 0.000 0.199 288 K C 0.684 176.959 176.600 -0.542 0.000 1.028 288 K CA 0.177 55.877 56.287 -0.978 0.000 1.164 288 K CB -0.304 31.618 32.500 -0.963 0.000 0.877 288 K HN 0.547 nan 8.250 nan 0.000 0.508 289 S N -0.634 114.975 115.700 -0.151 0.000 2.524 289 S HA 0.190 4.660 4.470 -0.000 0.000 0.215 289 S C 0.824 175.499 174.600 0.124 0.000 0.986 289 S CA -0.497 57.703 58.200 0.001 0.000 0.911 289 S CB -0.160 63.034 63.200 -0.010 0.000 0.805 289 S HN 0.131 nan 8.310 nan 0.000 0.501 290 I N 2.946 123.645 120.570 0.215 0.000 2.752 290 I HA 0.138 4.307 4.170 -0.000 0.000 0.287 290 I C 0.187 176.474 176.117 0.283 0.000 1.188 290 I CA -0.098 61.361 61.300 0.265 0.000 1.427 290 I CB 0.481 38.681 38.000 0.334 0.000 1.365 290 I HN 0.066 nan 8.210 nan 0.000 0.585 291 K N 4.099 124.599 120.400 0.167 0.000 2.110 291 K HA 0.266 4.585 4.320 -0.000 0.000 0.263 291 K C -0.660 175.949 176.600 0.016 0.000 0.975 291 K CA -0.735 55.596 56.287 0.072 0.000 0.895 291 K CB 0.995 33.530 32.500 0.059 0.000 1.060 291 K HN 0.399 nan 8.250 nan 0.000 0.448 292 D N 2.733 123.034 120.400 -0.164 0.000 2.347 292 D HA 0.108 4.748 4.640 -0.000 0.000 0.235 292 D C 0.865 177.141 176.300 -0.041 0.000 1.149 292 D CA -0.221 53.636 54.000 -0.238 0.000 0.850 292 D CB 0.599 41.104 40.800 -0.491 0.000 1.061 292 D HN 0.361 nan 8.370 nan 0.000 0.487 293 L N 3.454 124.704 121.223 0.045 0.000 2.456 293 L HA 0.019 4.359 4.340 -0.000 0.000 0.224 293 L C 1.469 178.384 176.870 0.075 0.000 1.148 293 L CA 0.584 55.464 54.840 0.066 0.000 0.825 293 L CB -0.541 41.567 42.059 0.081 0.000 0.937 293 L HN 0.652 nan 8.230 nan 0.000 0.450 294 A N 0.181 123.027 122.820 0.042 0.000 2.791 294 A HA -0.207 4.113 4.320 -0.000 0.000 0.292 294 A C 0.887 178.460 177.584 -0.017 0.000 1.487 294 A CA 0.715 52.775 52.037 0.038 0.000 0.760 294 A CB -1.516 17.585 19.000 0.169 0.000 1.031 294 A HN 0.527 nan 8.150 nan 0.000 0.503 295 Q N -0.486 119.288 119.800 -0.043 0.000 2.206 295 Q HA 0.199 4.539 4.340 -0.000 0.000 0.265 295 Q C 0.585 176.451 176.000 -0.224 0.000 0.866 295 Q CA 0.173 55.948 55.803 -0.047 0.000 1.073 295 Q CB 0.085 28.896 28.738 0.123 0.000 1.165 295 Q HN 0.823 nan 8.270 nan 0.000 0.465 296 N N 0.619 119.090 118.700 -0.381 0.000 2.741 296 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 296 N C 0.766 176.173 175.510 -0.172 0.000 1.112 296 N CA 1.639 54.500 53.050 -0.314 0.000 0.750 296 N CB -0.985 37.120 38.487 -0.638 0.000 1.119 296 N HN 0.639 nan 8.380 nan 0.000 0.561 297 G N -3.042 105.675 108.800 -0.138 0.000 2.199 297 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 297 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 297 G C 0.975 175.799 174.900 -0.127 0.000 0.982 297 G CA 0.532 45.519 45.100 -0.189 0.000 0.632 297 G HN 0.558 nan 8.290 nan 0.000 0.529 298 V N 0.010 119.901 119.914 -0.039 0.000 2.453 298 V HA 0.151 4.271 4.120 -0.000 0.000 0.247 298 V C 1.294 177.407 176.094 0.032 0.000 1.048 298 V CA 2.361 64.678 62.300 0.029 0.000 1.049 298 V CB -0.129 31.778 31.823 0.141 0.000 0.672 298 V HN 0.499 nan 8.190 nan 0.000 0.457 299 K N 0.341 120.767 120.400 0.042 0.000 2.507 299 K HA 0.634 4.954 4.320 -0.000 0.000 0.252 299 K C -1.154 175.468 176.600 0.037 0.000 0.943 299 K CA -0.311 56.002 56.287 0.043 0.000 0.808 299 K CB 2.654 35.196 32.500 0.071 0.000 1.142 299 K HN 0.114 nan 8.250 nan 0.000 0.426 300 V N -1.025 118.902 119.914 0.022 0.000 3.102 300 V HA 0.877 4.997 4.120 -0.000 0.000 0.312 300 V C -0.181 175.939 176.094 0.043 0.000 1.135 300 V CA -1.240 61.083 62.300 0.038 0.000 1.022 300 V CB 1.660 33.475 31.823 -0.013 0.000 1.056 300 V HN 0.815 nan 8.190 nan 0.000 0.436 301 A N 1.586 124.453 122.820 0.078 0.000 2.346 301 A HA 0.818 5.138 4.320 -0.000 0.000 0.252 301 A C 0.772 178.381 177.584 0.042 0.000 1.089 301 A CA 0.121 52.200 52.037 0.070 0.000 0.797 301 A CB 0.132 19.195 19.000 0.106 0.000 1.047 301 A HN 2.333 nan 8.150 nan 0.000 0.494 302 A N -0.460 122.380 122.820 0.033 0.000 2.445 302 A HA 0.516 4.836 4.320 -0.000 0.000 0.242 302 A C 1.416 179.012 177.584 0.020 0.000 1.075 302 A CA 0.661 52.707 52.037 0.015 0.000 0.777 302 A CB -0.466 18.542 19.000 0.014 0.000 1.013 302 A HN 2.712 nan 8.150 nan 0.000 0.493 303 G N -0.314 108.483 108.800 -0.005 0.000 2.179 303 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.220 303 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.220 303 G C 0.131 175.010 174.900 -0.035 0.000 0.990 303 G CA 0.189 45.288 45.100 -0.003 0.000 0.646 303 G HN 2.025 nan 8.290 nan 0.000 0.517 304 V N 2.684 122.537 119.914 -0.102 0.000 2.448 304 V HA 0.742 4.862 4.120 -0.000 0.000 0.295 304 V C -2.062 173.872 176.094 -0.267 0.000 1.025 304 V CA -2.030 60.119 62.300 -0.250 0.000 0.859 304 V CB 1.879 33.386 31.823 -0.526 0.000 0.988 304 V HN 0.150 nan 8.190 nan 0.000 0.431 305 P HA 0.240 nan 4.420 nan 0.000 0.271 305 P C -0.898 176.209 177.300 -0.321 0.000 1.220 305 P CA 0.137 63.097 63.100 -0.234 0.000 0.768 305 P CB 1.177 32.763 31.700 -0.191 0.000 0.848 306 V N 3.901 123.669 119.914 -0.244 0.000 2.495 306 V HA 0.407 4.527 4.120 -0.000 0.000 0.298 306 V C 0.287 176.278 176.094 -0.171 0.000 1.031 306 V CA -0.222 61.925 62.300 -0.254 0.000 0.871 306 V CB 2.029 33.732 31.823 -0.200 0.000 0.988 306 V HN 0.541 nan 8.190 nan 0.000 0.432 307 T N 4.790 119.250 114.554 -0.157 0.000 2.792 307 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 307 T C -0.203 174.485 174.700 -0.020 0.000 0.990 307 T CA -0.766 61.309 62.100 -0.042 0.000 0.960 307 T CB 1.205 70.101 68.868 0.047 0.000 0.939 307 T HN 0.534 nan 8.240 nan 0.000 0.439 308 K N 2.050 122.449 120.400 -0.003 0.000 2.219 308 K HA 0.170 4.490 4.320 -0.000 0.000 0.258 308 K C 1.193 177.822 176.600 0.049 0.000 1.008 308 K CA -0.379 55.913 56.287 0.009 0.000 0.928 308 K CB 1.011 33.521 32.500 0.016 0.000 0.983 308 K HN 0.662 nan 8.250 nan 0.000 0.484 309 E N 0.560 120.793 120.200 0.056 0.000 2.118 309 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 309 E C 1.702 178.354 176.600 0.088 0.000 0.992 309 E CA 1.803 58.237 56.400 0.056 0.000 0.804 309 E CB -0.006 29.730 29.700 0.061 0.000 0.741 309 E HN 0.617 nan 8.360 nan 0.000 0.458 310 S N 0.367 116.110 115.700 0.072 0.000 2.561 310 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 310 S C 1.414 176.055 174.600 0.067 0.000 0.977 310 S CA 0.500 58.739 58.200 0.065 0.000 0.926 310 S CB 0.012 63.240 63.200 0.048 0.000 0.769 310 S HN 0.215 nan 8.310 nan 0.000 0.533 311 E N -0.311 119.941 120.200 0.087 0.000 2.472 311 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 311 E C -0.006 176.676 176.600 0.136 0.000 1.033 311 E CA -0.499 55.949 56.400 0.081 0.000 0.886 311 E CB 0.124 29.860 29.700 0.060 0.000 0.944 311 E HN 0.692 nan 8.360 nan 0.000 0.492 312 W N 2.656 123.927 121.300 -0.048 0.000 2.181 312 W HA -0.003 4.657 4.660 -0.000 0.000 0.335 312 W C 0.694 177.182 176.519 -0.052 0.000 1.310 312 W CA 0.122 57.432 57.345 -0.057 0.000 1.226 312 W CB 0.744 30.138 29.460 -0.110 0.000 1.155 312 W HN -0.203 nan 8.180 nan 0.000 0.565 313 T N 3.201 117.532 114.554 -0.372 0.000 3.258 313 T HA 0.428 4.778 4.350 -0.000 0.000 0.259 313 T C 0.572 174.776 174.700 -0.827 0.000 0.963 313 T CA -0.176 61.636 62.100 -0.480 0.000 0.919 313 T CB -0.555 68.190 68.868 -0.206 0.000 1.110 313 T HN 0.565 nan 8.240 nan 0.000 0.550 314 G N 0.882 108.560 108.800 -1.870 0.000 2.651 314 G HA2 0.476 4.436 3.960 -0.000 0.000 0.260 314 G HA3 0.476 4.436 3.960 -0.000 0.000 0.260 314 G C -0.739 173.675 174.900 -0.809 0.000 1.216 314 G CA -0.860 43.258 45.100 -1.637 0.000 0.913 314 G HN 0.596 nan 8.290 nan 0.000 0.535 315 K N -0.539 119.635 120.400 -0.377 0.000 2.371 315 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 315 K C -0.213 176.383 176.600 -0.005 0.000 0.934 315 K CA -0.707 55.492 56.287 -0.148 0.000 0.798 315 K CB 0.880 33.336 32.500 -0.074 0.000 1.204 315 K HN 0.382 nan 8.250 nan 0.000 0.427 316 N N 1.425 120.126 118.700 0.002 0.000 2.747 316 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 316 N C -1.050 174.482 175.510 0.037 0.000 1.107 316 N CA 0.749 53.806 53.050 0.012 0.000 0.707 316 N CB -1.664 36.833 38.487 0.016 0.000 1.054 316 N HN 0.521 nan 8.380 nan 0.000 0.555 317 F N 0.763 120.691 119.950 -0.037 0.000 2.543 317 F HA 0.332 4.859 4.527 -0.000 0.000 0.375 317 F C 0.194 175.934 175.800 -0.101 0.000 1.075 317 F CA -0.466 57.545 58.000 0.018 0.000 1.225 317 F CB 0.597 39.711 39.000 0.190 0.000 1.099 317 F HN -0.092 nan 8.300 nan 0.000 0.561 318 V N 9.079 128.317 119.914 -1.127 0.000 2.357 318 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 318 V C -1.997 173.361 176.094 -1.227 0.000 1.018 318 V CA -1.680 59.979 62.300 -1.069 0.000 0.841 318 V CB 1.208 32.406 31.823 -1.042 0.000 0.991 318 V HN 0.667 nan 8.190 nan 0.000 0.437 319 P HA 0.333 nan 4.420 nan 0.000 0.276 319 P C -2.692 174.484 177.300 -0.208 0.000 1.244 319 P CA -1.791 61.046 63.100 -0.438 0.000 0.801 319 P CB 0.401 32.071 31.700 -0.051 0.000 1.006 320 P HA 0.150 nan 4.420 nan 0.000 0.272 320 P C 1.057 178.300 177.300 -0.095 0.000 1.223 320 P CA -0.146 62.856 63.100 -0.164 0.000 0.784 320 P CB 0.992 32.513 31.700 -0.298 0.000 0.923 321 L N -0.086 121.111 121.223 -0.043 0.000 2.156 321 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 321 L C 1.450 178.336 176.870 0.027 0.000 1.095 321 L CA 1.481 56.326 54.840 0.008 0.000 0.770 321 L CB -0.432 41.621 42.059 -0.010 0.000 0.914 321 L HN 0.505 nan 8.230 nan 0.000 0.439 322 K N -0.166 120.204 120.400 -0.049 0.000 2.542 322 K HA 0.283 4.603 4.320 -0.000 0.000 0.259 322 K C -1.066 175.449 176.600 -0.142 0.000 0.932 322 K CA -0.495 55.768 56.287 -0.040 0.000 0.820 322 K CB 1.932 34.396 32.500 -0.059 0.000 1.345 322 K HN -0.081 nan 8.250 nan 0.000 0.432 323 T N 0.929 115.422 114.554 -0.101 0.000 2.855 323 T HA 0.566 4.916 4.350 -0.000 0.000 0.281 323 T C -0.216 174.374 174.700 -0.183 0.000 1.007 323 T CA -0.890 61.115 62.100 -0.160 0.000 1.009 323 T CB 0.793 69.592 68.868 -0.116 0.000 0.983 323 T HN 0.432 nan 8.240 nan 0.000 0.455 324 L N 3.242 124.248 121.223 -0.362 0.000 2.488 324 L HA 0.487 4.827 4.340 -0.000 0.000 0.250 324 L C -1.428 175.046 176.870 -0.660 0.000 1.280 324 L CA -0.685 53.629 54.840 -0.878 0.000 0.929 324 L CB -0.050 41.449 42.059 -0.933 0.000 1.200 324 L HN 0.732 nan 8.230 nan 0.000 0.495 325 Y N -1.084 119.207 120.300 -0.015 0.000 2.677 325 Y HA 0.518 5.068 4.550 -0.000 0.000 0.334 325 Y C 0.339 176.234 175.900 -0.008 0.000 1.154 325 Y CA -0.965 57.126 58.100 -0.014 0.000 1.070 325 Y CB 2.222 40.682 38.460 0.001 0.000 1.294 325 Y HN -0.021 nan 8.280 nan 0.000 0.475 326 T N 2.609 117.286 114.554 0.206 0.000 2.824 326 T HA 0.622 4.971 4.350 -0.000 0.000 0.280 326 T C -0.666 174.083 174.700 0.081 0.000 0.995 326 T CA -0.668 61.518 62.100 0.144 0.000 1.009 326 T CB 0.901 69.895 68.868 0.210 0.000 0.955 326 T HN 0.558 nan 8.240 nan 0.000 0.452 327 V N 1.261 121.196 119.914 0.035 0.000 3.141 327 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 327 V C -0.701 175.429 176.094 0.059 0.000 1.157 327 V CA -1.257 61.031 62.300 -0.020 0.000 1.041 327 V CB 1.723 33.375 31.823 -0.284 0.000 1.071 327 V HN 0.805 nan 8.190 nan 0.000 0.441 328 Q N -0.155 119.692 119.800 0.079 0.000 2.199 328 Q HA 0.336 4.676 4.340 -0.000 0.000 0.232 328 Q C 0.006 176.073 176.000 0.113 0.000 0.969 328 Q CA -0.595 55.263 55.803 0.093 0.000 0.925 328 Q CB 1.029 29.813 28.738 0.076 0.000 1.198 328 Q HN 0.774 nan 8.270 nan 0.000 0.494 329 D N 0.464 120.924 120.400 0.101 0.000 2.263 329 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 329 D C 1.614 177.967 176.300 0.088 0.000 0.971 329 D CA 1.486 55.549 54.000 0.105 0.000 0.867 329 D CB -0.079 40.770 40.800 0.081 0.000 0.929 329 D HN 0.662 nan 8.370 nan 0.000 0.492 330 T N -2.482 112.114 114.554 0.070 0.000 3.118 330 T HA -0.106 4.243 4.350 -0.000 0.000 0.260 330 T C 0.910 175.615 174.700 0.009 0.000 1.139 330 T CA -0.327 61.795 62.100 0.037 0.000 1.085 330 T CB -0.543 68.341 68.868 0.026 0.000 0.934 330 T HN 0.050 nan 8.240 nan 0.000 0.518 331 Y N 3.113 123.349 120.300 -0.107 0.000 2.610 331 Y HA 0.153 4.703 4.550 -0.000 0.000 0.332 331 Y C 0.528 176.253 175.900 -0.292 0.000 1.201 331 Y CA -0.812 57.156 58.100 -0.220 0.000 1.465 331 Y CB 0.246 38.502 38.460 -0.340 0.000 1.283 331 Y HN 0.191 nan 8.280 nan 0.000 0.563 332 N N 5.315 123.485 118.700 -0.883 0.000 2.462 332 N HA 0.055 4.795 4.740 -0.000 0.000 0.242 332 N C -0.361 174.891 175.510 -0.429 0.000 1.010 332 N CA -0.404 52.352 53.050 -0.490 0.000 0.939 332 N CB 0.314 38.601 38.487 -0.333 0.000 1.127 332 N HN 0.802 nan 8.380 nan 0.000 0.509 333 Y N 1.739 122.123 120.300 0.140 0.000 2.632 333 Y HA 0.058 4.608 4.550 -0.000 0.000 0.301 333 Y C 0.227 176.361 175.900 0.391 0.000 1.172 333 Y CA 0.002 58.320 58.100 0.364 0.000 1.328 333 Y CB 0.197 38.792 38.460 0.225 0.000 1.016 333 Y HN 0.495 nan 8.280 nan 0.000 0.529 334 N N 0.981 119.858 118.700 0.294 0.000 3.044 334 N HA 0.017 4.757 4.740 -0.000 0.000 0.254 334 N C -1.312 174.269 175.510 0.118 0.000 1.253 334 N CA -0.151 53.037 53.050 0.229 0.000 0.944 334 N CB 0.155 38.745 38.487 0.173 0.000 1.217 334 N HN 0.076 nan 8.380 nan 0.000 0.498 335 D N 1.643 122.121 120.400 0.129 0.000 2.336 335 D HA 0.147 4.787 4.640 -0.000 0.000 0.249 335 D C -1.253 175.069 176.300 0.036 0.000 1.213 335 D CA -1.913 52.121 54.000 0.057 0.000 0.870 335 D CB 1.476 42.326 40.800 0.083 0.000 1.076 335 D HN 0.183 nan 8.370 nan 0.000 0.483 336 P HA -0.123 nan 4.420 nan 0.000 0.219 336 P C 1.134 178.435 177.300 0.000 0.000 1.146 336 P CA 0.843 63.949 63.100 0.010 0.000 0.808 336 P CB 0.148 31.851 31.700 0.006 0.000 0.779 337 T N -1.073 113.482 114.554 0.001 0.000 2.849 337 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 337 T C 1.619 176.305 174.700 -0.023 0.000 1.066 337 T CA 1.157 63.255 62.100 -0.005 0.000 1.130 337 T CB -0.947 67.925 68.868 0.007 0.000 0.864 337 T HN 0.188 nan 8.240 nan 0.000 0.481 338 C N 1.198 120.477 119.300 -0.035 0.000 2.625 338 C HA 0.517 4.977 4.460 -0.000 0.000 0.285 338 C C 2.219 177.165 174.990 -0.072 0.000 1.279 338 C CA -0.649 58.321 59.018 -0.079 0.000 1.698 338 C CB -1.916 25.742 27.740 -0.136 0.000 1.821 338 C HN 0.807 nan 8.230 nan 0.000 0.600 339 G N 1.832 110.609 108.800 -0.038 0.000 2.702 339 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.342 339 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.342 339 G C 1.044 175.928 174.900 -0.026 0.000 1.258 339 G CA 1.200 46.284 45.100 -0.026 0.000 0.990 339 G HN 0.528 nan 8.290 nan 0.000 0.548 340 E N 0.031 120.214 120.200 -0.029 0.000 2.107 340 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 340 E C 1.625 178.210 176.600 -0.026 0.000 0.982 340 E CA 1.164 57.554 56.400 -0.017 0.000 0.809 340 E CB -0.033 29.661 29.700 -0.010 0.000 0.756 340 E HN 0.437 nan 8.360 nan 0.000 0.459 341 M N 1.539 121.092 119.600 -0.079 0.000 3.654 341 M HA 0.084 4.563 4.480 -0.000 0.000 0.212 341 M C 0.944 177.080 176.300 -0.273 0.000 1.354 341 M CA 0.235 55.448 55.300 -0.145 0.000 1.564 341 M CB 0.347 32.797 32.600 -0.250 0.000 1.056 341 M HN -0.149 nan 8.290 nan 0.000 0.608 342 T N -0.376 114.093 114.554 -0.142 0.000 2.680 342 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 342 T C 1.564 175.991 174.700 -0.455 0.000 1.033 342 T CA 2.481 64.487 62.100 -0.157 0.000 1.152 342 T CB -0.666 68.206 68.868 0.007 0.000 0.859 342 T HN 0.731 nan 8.240 nan 0.000 0.452 343 Y N 1.272 121.075 120.300 -0.828 0.000 2.193 343 Y HA -0.114 4.436 4.550 -0.000 0.000 0.285 343 Y C 2.025 177.441 175.900 -0.807 0.000 1.166 343 Y CA 0.625 57.739 58.100 -1.643 0.000 1.181 343 Y CB -1.072 36.515 38.460 -1.455 0.000 0.976 343 Y HN 0.109 nan 8.280 nan 0.000 0.520 344 I N 0.241 120.196 120.570 -1.024 0.000 2.399 344 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 344 I C 2.178 178.164 176.117 -0.218 0.000 1.146 344 I CA 1.248 62.186 61.300 -0.603 0.000 1.412 344 I CB -0.625 37.023 38.000 -0.586 0.000 1.076 344 I HN 0.479 nan 8.210 nan 0.000 0.432 345 C N -0.310 118.897 119.300 -0.154 0.000 2.618 345 C HA 0.012 4.472 4.460 -0.000 0.000 0.264 345 C C 0.937 176.136 174.990 0.348 0.000 1.334 345 C CA -0.987 58.081 59.018 0.083 0.000 1.731 345 C CB -1.210 26.580 27.740 0.084 0.000 1.852 345 C HN 0.387 nan 8.230 nan 0.000 0.566 346 W N 2.150 123.602 121.300 0.253 0.000 2.187 346 W HA 0.176 4.836 4.660 -0.000 0.000 0.348 346 W C -1.874 174.808 176.519 0.271 0.000 1.282 346 W CA -2.008 55.546 57.345 0.349 0.000 1.271 346 W CB -0.742 28.913 29.460 0.325 0.000 1.170 346 W HN 0.100 nan 8.180 nan 0.000 0.583 347 P HA 0.021 nan 4.420 nan 0.000 0.226 347 P C -0.187 177.341 177.300 0.381 0.000 1.783 347 P CA 0.327 63.610 63.100 0.305 0.000 0.980 347 P CB -0.439 31.220 31.700 -0.067 0.000 1.967 348 T N -3.144 111.639 114.554 0.381 0.000 2.865 348 T HA 0.467 4.817 4.350 -0.000 0.000 0.294 348 T C 0.709 175.530 174.700 0.201 0.000 1.119 348 T CA -0.567 61.659 62.100 0.210 0.000 1.007 348 T CB 1.847 70.842 68.868 0.211 0.000 1.225 348 T HN -0.094 nan 8.240 nan 0.000 0.515 349 V N -2.906 117.053 119.914 0.076 0.000 3.451 349 V HA 0.712 4.832 4.120 -0.000 0.000 0.288 349 V C 1.091 177.252 176.094 0.113 0.000 1.502 349 V CA 0.285 62.672 62.300 0.144 0.000 1.026 349 V CB -0.710 31.249 31.823 0.226 0.000 0.840 349 V HN 2.259 nan 8.190 nan 0.000 0.437 350 A N 1.263 124.123 122.820 0.067 0.000 2.303 350 A HA -0.084 4.236 4.320 -0.000 0.000 0.286 350 A C -1.562 176.051 177.584 0.047 0.000 1.429 350 A CA 0.647 52.716 52.037 0.053 0.000 0.738 350 A CB -2.135 16.918 19.000 0.088 0.000 1.149 350 A HN 0.676 nan 8.150 nan 0.000 0.364 351 P HA 0.227 nan 4.420 nan 0.000 0.271 351 P C 0.789 178.089 177.300 0.000 0.000 1.226 351 P CA 0.569 63.684 63.100 0.024 0.000 0.765 351 P CB 1.238 32.922 31.700 -0.027 0.000 0.835 352 S N 1.134 116.848 115.700 0.023 0.000 2.523 352 S HA 0.261 4.731 4.470 -0.000 0.000 0.217 352 S C 0.718 175.303 174.600 -0.026 0.000 0.996 352 S CA -0.138 58.061 58.200 -0.001 0.000 0.921 352 S CB -0.016 63.194 63.200 0.016 0.000 0.829 352 S HN 0.567 nan 8.310 nan 0.000 0.495 353 S N -0.491 115.204 115.700 -0.009 0.000 2.669 353 S HA 0.730 5.200 4.470 -0.000 0.000 0.266 353 S C -2.194 172.414 174.600 0.013 0.000 1.149 353 S CA -0.065 58.131 58.200 -0.007 0.000 0.842 353 S CB 0.948 64.152 63.200 0.007 0.000 1.160 353 S HN 1.181 nan 8.310 nan 0.000 0.487 354 A N 1.403 124.244 122.820 0.036 0.000 2.491 354 A HA 0.692 5.011 4.320 -0.000 0.000 0.293 354 A C -2.110 175.551 177.584 0.129 0.000 1.047 354 A CA -0.290 51.776 52.037 0.048 0.000 0.735 354 A CB 1.072 20.053 19.000 -0.032 0.000 1.281 354 A HN 1.160 nan 8.150 nan 0.000 0.398 355 Y N 2.272 122.583 120.300 0.018 0.000 2.373 355 Y HA 0.558 5.108 4.550 -0.000 0.000 0.336 355 Y C -1.035 174.910 175.900 0.075 0.000 0.979 355 Y CA -0.806 57.325 58.100 0.051 0.000 1.080 355 Y CB 1.967 40.484 38.460 0.095 0.000 1.190 355 Y HN 0.545 nan 8.280 nan 0.000 0.446 356 V N 7.780 127.386 119.914 -0.513 0.000 2.389 356 V HA 0.016 4.135 4.120 -0.000 0.000 0.264 356 V C -0.536 175.259 176.094 -0.500 0.000 1.049 356 V CA -0.377 61.706 62.300 -0.362 0.000 0.932 356 V CB -0.122 31.516 31.823 -0.308 0.000 1.011 356 V HN 0.716 nan 8.190 nan 0.000 0.475 357 Y N 5.635 125.830 120.300 -0.175 0.000 2.537 357 Y HA 0.165 4.715 4.550 -0.000 0.000 0.339 357 Y C 1.220 177.152 175.900 0.052 0.000 1.066 357 Y CA 0.016 58.148 58.100 0.054 0.000 1.357 357 Y CB 0.584 39.216 38.460 0.287 0.000 1.175 357 Y HN 0.609 nan 8.280 nan 0.000 0.525 358 K N 4.898 125.033 120.400 -0.442 0.000 2.374 358 K HA 0.272 4.592 4.320 -0.000 0.000 0.196 358 K C 1.170 177.530 176.600 -0.400 0.000 1.023 358 K CA 0.399 56.496 56.287 -0.316 0.000 1.103 358 K CB 0.195 32.558 32.500 -0.229 0.000 0.848 358 K HN 1.059 nan 8.250 nan 0.000 0.528 359 G N 0.947 109.222 108.800 -0.875 0.000 2.527 359 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.268 359 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.268 359 G C 0.269 175.014 174.900 -0.258 0.000 1.175 359 G CA -0.482 44.347 45.100 -0.453 0.000 0.962 359 G HN 0.694 nan 8.290 nan 0.000 0.560 360 G N -2.164 106.569 108.800 -0.112 0.000 2.334 360 G HA2 0.487 4.447 3.960 -0.000 0.000 0.315 360 G HA3 0.487 4.447 3.960 -0.000 0.000 0.315 360 G C 0.294 175.170 174.900 -0.040 0.000 1.284 360 G CA 0.506 45.556 45.100 -0.084 0.000 0.985 360 G HN 1.598 nan 8.290 nan 0.000 0.504 361 K N -0.052 120.327 120.400 -0.036 0.000 2.281 361 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 361 K C 1.548 178.138 176.600 -0.017 0.000 1.046 361 K CA 1.861 58.136 56.287 -0.021 0.000 0.938 361 K CB -0.162 32.326 32.500 -0.019 0.000 0.737 361 K HN 0.384 nan 8.250 nan 0.000 0.458 362 K N -0.055 120.334 120.400 -0.019 0.000 2.726 362 K HA 0.328 4.648 4.320 -0.000 0.000 0.209 362 K C -0.729 175.868 176.600 -0.006 0.000 1.082 362 K CA -0.188 56.088 56.287 -0.019 0.000 1.081 362 K CB 0.993 33.478 32.500 -0.024 0.000 0.830 362 K HN 0.098 nan 8.250 nan 0.000 0.470 363 A N 1.287 124.120 122.820 0.022 0.000 2.565 363 A HA 0.029 4.349 4.320 -0.000 0.000 0.237 363 A C 0.265 177.870 177.584 0.036 0.000 1.053 363 A CA 0.069 52.166 52.037 0.101 0.000 0.755 363 A CB -0.262 18.808 19.000 0.116 0.000 0.980 363 A HN 0.404 nan 8.150 nan 0.000 0.506 364 I N 2.260 122.824 120.570 -0.011 0.000 2.533 364 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 364 I C 0.851 176.839 176.117 -0.215 0.000 1.109 364 I CA 0.093 61.170 61.300 -0.371 0.000 1.412 364 I CB 0.440 37.764 38.000 -1.127 0.000 1.396 364 I HN 0.630 nan 8.210 nan 0.000 0.543 365 T N 5.723 120.186 114.554 -0.151 0.000 2.866 365 T HA 0.137 4.487 4.350 -0.000 0.000 0.293 365 T C 1.209 175.974 174.700 0.108 0.000 1.005 365 T CA 1.045 63.138 62.100 -0.011 0.000 1.162 365 T CB 0.529 69.382 68.868 -0.024 0.000 0.968 365 T HN 1.097 nan 8.240 nan 0.000 0.530 366 G N 2.659 111.565 108.800 0.177 0.000 2.199 366 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 366 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 366 G C 0.509 175.630 174.900 0.367 0.000 0.982 366 G CA -0.138 45.109 45.100 0.243 0.000 0.632 366 G HN 0.737 nan 8.290 nan 0.000 0.529 367 W N 1.960 123.283 121.300 0.038 0.000 3.405 367 W HA 0.565 5.224 4.660 -0.000 0.000 0.300 367 W C 0.709 177.319 176.519 0.152 0.000 1.286 367 W CA -0.651 56.700 57.345 0.010 0.000 1.762 367 W CB -0.100 29.222 29.460 -0.231 0.000 1.087 367 W HN 0.283 nan 8.180 nan 0.000 0.703 368 E N 0.352 120.748 120.200 0.327 0.000 2.452 368 E HA -0.062 4.288 4.350 -0.000 0.000 0.261 368 E C 0.574 177.261 176.600 0.145 0.000 0.987 368 E CA 0.649 57.194 56.400 0.240 0.000 0.926 368 E CB -0.237 29.547 29.700 0.140 0.000 0.934 368 E HN 0.176 nan 8.360 nan 0.000 0.452 369 N N 0.015 118.796 118.700 0.135 0.000 2.735 369 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 369 N C -0.980 174.546 175.510 0.027 0.000 1.083 369 N CA 0.794 53.823 53.050 -0.034 0.000 0.703 369 N CB -1.354 36.892 38.487 -0.402 0.000 1.005 369 N HN 0.591 nan 8.380 nan 0.000 0.550 370 T N -2.128 112.522 114.554 0.161 0.000 2.929 370 T HA 0.639 4.989 4.350 -0.000 0.000 0.284 370 T C -0.174 174.600 174.700 0.123 0.000 1.014 370 T CA -0.979 61.160 62.100 0.065 0.000 1.051 370 T CB 2.447 71.262 68.868 -0.089 0.000 1.028 370 T HN 0.166 nan 8.240 nan 0.000 0.485 371 L N 2.391 123.642 121.223 0.046 0.000 2.313 371 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 371 L C -1.083 175.807 176.870 0.034 0.000 1.013 371 L CA -0.894 53.977 54.840 0.052 0.000 0.816 371 L CB 0.962 43.035 42.059 0.024 0.000 1.236 371 L HN 0.690 nan 8.230 nan 0.000 0.419 372 L N 6.090 127.382 121.223 0.115 0.000 2.282 372 L HA 0.595 4.934 4.340 -0.000 0.000 0.288 372 L C -0.842 176.099 176.870 0.117 0.000 1.033 372 L CA -0.852 54.048 54.840 0.102 0.000 0.807 372 L CB 1.609 43.781 42.059 0.189 0.000 1.209 372 L HN 0.308 nan 8.230 nan 0.000 0.423 373 V N 4.532 124.510 119.914 0.107 0.000 2.380 373 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 373 V C -2.148 174.043 176.094 0.161 0.000 1.015 373 V CA -1.601 60.773 62.300 0.124 0.000 0.834 373 V CB 1.676 33.565 31.823 0.110 0.000 1.009 373 V HN 0.585 nan 8.190 nan 0.000 0.428 374 P HA 0.192 nan 4.420 nan 0.000 0.275 374 P C -0.425 176.972 177.300 0.161 0.000 1.228 374 P CA 0.058 63.220 63.100 0.104 0.000 0.786 374 P CB 1.298 33.053 31.700 0.092 0.000 0.927 375 S N 2.134 117.943 115.700 0.182 0.000 2.454 375 S HA 0.352 4.822 4.470 -0.000 0.000 0.306 375 S C 1.111 175.786 174.600 0.126 0.000 1.100 375 S CA -0.791 57.511 58.200 0.170 0.000 1.087 375 S CB 0.128 63.428 63.200 0.166 0.000 1.019 375 S HN 0.278 nan 8.310 nan 0.000 0.480 376 L N 5.017 126.290 121.223 0.083 0.000 2.034 376 L HA 0.031 4.370 4.340 -0.000 0.000 0.203 376 L C 2.568 179.434 176.870 -0.007 0.000 1.074 376 L CA 1.174 56.037 54.840 0.039 0.000 0.748 376 L CB -0.455 41.635 42.059 0.051 0.000 0.905 376 L HN 0.752 nan 8.230 nan 0.000 0.439 377 K N -0.545 119.858 120.400 0.005 0.000 2.217 377 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 377 K C 1.857 178.380 176.600 -0.129 0.000 1.051 377 K CA 0.817 57.077 56.287 -0.045 0.000 0.952 377 K CB -0.045 32.453 32.500 -0.005 0.000 0.736 377 K HN 0.140 nan 8.250 nan 0.000 0.453 378 R N 0.330 120.737 120.500 -0.155 0.000 2.290 378 R HA 0.094 4.434 4.340 -0.000 0.000 0.197 378 R C 0.786 176.942 176.300 -0.240 0.000 0.913 378 R CA 0.746 56.641 56.100 -0.342 0.000 1.040 378 R CB 0.075 30.010 30.300 -0.608 0.000 0.992 378 R HN 0.531 nan 8.270 nan 0.000 0.500 379 G N 1.900 110.624 108.800 -0.127 0.000 2.295 379 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 379 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 379 G C 0.143 175.139 174.900 0.160 0.000 1.055 379 G CA 0.643 45.678 45.100 -0.109 0.000 0.922 379 G HN 0.315 nan 8.290 nan 0.000 0.503 380 V N -3.016 117.015 119.914 0.195 0.000 3.130 380 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 380 V C -0.028 176.013 176.094 -0.089 0.000 1.158 380 V CA -1.941 60.392 62.300 0.054 0.000 1.029 380 V CB 2.288 33.951 31.823 -0.267 0.000 1.057 380 V HN 0.255 nan 8.190 nan 0.000 0.436 381 I N 2.051 122.458 120.570 -0.271 0.000 2.362 381 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 381 I C -0.536 175.415 176.117 -0.276 0.000 0.994 381 I CA -0.367 60.790 61.300 -0.238 0.000 1.158 381 I CB 1.095 38.984 38.000 -0.185 0.000 1.315 381 I HN 0.609 nan 8.210 nan 0.000 0.451 382 F N 5.073 124.994 119.950 -0.048 0.000 2.384 382 F HA 0.435 4.962 4.527 -0.000 0.000 0.338 382 F C 0.990 176.691 175.800 -0.165 0.000 1.103 382 F CA -0.448 57.504 58.000 -0.080 0.000 1.157 382 F CB 1.013 39.993 39.000 -0.034 0.000 1.167 382 F HN 0.354 nan 8.300 nan 0.000 0.529 383 R N 4.161 124.641 120.500 -0.035 0.000 2.343 383 R HA 0.619 4.958 4.340 -0.000 0.000 0.320 383 R C -1.552 174.664 176.300 -0.139 0.000 0.956 383 R CA -0.427 55.524 56.100 -0.247 0.000 0.836 383 R CB 0.679 30.620 30.300 -0.599 0.000 1.151 383 R HN 0.721 nan 8.270 nan 0.000 0.450 384 I N 4.301 124.801 120.570 -0.117 0.000 2.410 384 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 384 I C -0.398 175.671 176.117 -0.079 0.000 1.009 384 I CA -0.979 60.274 61.300 -0.078 0.000 1.111 384 I CB 1.871 39.835 38.000 -0.061 0.000 1.262 384 I HN 0.415 nan 8.210 nan 0.000 0.443 385 K N 5.902 126.264 120.400 -0.064 0.000 2.218 385 K HA 0.636 4.956 4.320 -0.000 0.000 0.276 385 K C -1.241 175.293 176.600 -0.110 0.000 1.022 385 K CA 0.043 56.298 56.287 -0.054 0.000 0.946 385 K CB 0.784 33.303 32.500 0.032 0.000 1.000 385 K HN 0.428 nan 8.250 nan 0.000 0.468 386 L N 2.470 123.554 121.223 -0.231 0.000 2.301 386 L HA 0.397 4.737 4.340 -0.000 0.000 0.264 386 L C -0.112 176.326 176.870 -0.721 0.000 1.016 386 L CA -0.784 53.804 54.840 -0.421 0.000 0.821 386 L CB 1.469 43.349 42.059 -0.300 0.000 1.346 386 L HN 0.876 nan 8.230 nan 0.000 0.429 387 D N -0.021 119.831 120.400 -0.912 0.000 2.384 387 D HA 0.083 4.723 4.640 -0.000 0.000 0.244 387 D C -2.126 173.846 176.300 -0.546 0.000 1.251 387 D CA -1.221 52.294 54.000 -0.808 0.000 0.961 387 D CB 0.682 41.127 40.800 -0.591 0.000 1.116 387 D HN 0.225 nan 8.370 nan 0.000 0.484 388 P HA -0.067 nan 4.420 nan 0.000 0.222 388 P C 1.182 178.340 177.300 -0.236 0.000 1.147 388 P CA 1.750 64.681 63.100 -0.282 0.000 0.790 388 P CB -0.078 31.561 31.700 -0.102 0.000 0.780 389 T N -6.473 107.986 114.554 -0.159 0.000 3.086 389 T HA 0.011 4.361 4.350 -0.000 0.000 0.250 389 T C 0.279 175.045 174.700 0.110 0.000 1.074 389 T CA -0.363 61.741 62.100 0.007 0.000 0.988 389 T CB -1.133 67.741 68.868 0.010 0.000 0.988 389 T HN 0.024 nan 8.240 nan 0.000 0.530 390 Y N 0.836 121.083 120.300 -0.088 0.000 3.389 390 Y HA -0.247 4.303 4.550 -0.000 0.000 0.213 390 Y C 1.602 177.454 175.900 -0.081 0.000 1.272 390 Y CA 0.438 58.481 58.100 -0.094 0.000 1.444 390 Y CB -2.744 35.675 38.460 -0.070 0.000 1.445 390 Y HN 0.321 nan 8.280 nan 0.000 0.583 391 S N -1.991 113.698 115.700 -0.018 0.000 2.497 391 S HA 0.137 4.607 4.470 -0.000 0.000 0.221 391 S C 0.882 175.462 174.600 -0.033 0.000 1.037 391 S CA 0.889 59.083 58.200 -0.011 0.000 0.920 391 S CB 0.911 64.103 63.200 -0.015 0.000 0.800 391 S HN 0.530 nan 8.310 nan 0.000 0.505 392 T N 1.660 116.157 114.554 -0.095 0.000 2.868 392 T HA 0.447 4.797 4.350 -0.000 0.000 0.306 392 T C -0.786 173.819 174.700 -0.158 0.000 1.224 392 T CA -0.596 61.455 62.100 -0.082 0.000 1.012 392 T CB 1.558 70.402 68.868 -0.039 0.000 1.221 392 T HN 0.186 nan 8.240 nan 0.000 0.499 393 T N 1.556 116.066 114.554 -0.073 0.000 2.882 393 T HA 0.582 4.931 4.350 -0.000 0.000 0.287 393 T C -0.987 173.727 174.700 0.024 0.000 1.014 393 T CA -0.370 61.690 62.100 -0.067 0.000 1.049 393 T CB 0.351 69.211 68.868 -0.013 0.000 1.001 393 T HN 0.433 nan 8.240 nan 0.000 0.525 394 Y N 1.504 121.782 120.300 -0.037 0.000 2.352 394 Y HA 0.402 4.952 4.550 -0.000 0.000 0.339 394 Y C 0.946 176.827 175.900 -0.033 0.000 0.992 394 Y CA -1.127 56.952 58.100 -0.035 0.000 1.100 394 Y CB 0.485 38.920 38.460 -0.042 0.000 1.192 394 Y HN 0.920 nan 8.280 nan 0.000 0.458 395 D N 0.585 121.062 120.400 0.128 0.000 3.301 395 D HA -0.249 4.391 4.640 -0.000 0.000 0.217 395 D C -0.912 175.411 176.300 0.038 0.000 1.548 395 D CA 1.123 55.154 54.000 0.051 0.000 1.118 395 D CB -0.313 40.504 40.800 0.028 0.000 0.684 395 D HN 0.465 nan 8.370 nan 0.000 0.821 396 D N -0.368 120.043 120.400 0.018 0.000 2.592 396 D HA 0.656 5.295 4.640 -0.000 0.000 0.259 396 D C -0.439 175.855 176.300 -0.010 0.000 1.144 396 D CA -0.178 53.827 54.000 0.008 0.000 1.080 396 D CB 0.649 41.458 40.800 0.015 0.000 1.225 396 D HN 0.495 nan 8.370 nan 0.000 0.619 397 A N 0.395 123.193 122.820 -0.037 0.000 2.310 397 A HA 0.453 4.773 4.320 -0.000 0.000 0.300 397 A C -0.294 177.392 177.584 0.170 0.000 1.269 397 A CA -0.469 51.537 52.037 -0.051 0.000 0.909 397 A CB -0.062 18.688 19.000 -0.417 0.000 1.144 397 A HN 0.267 nan 8.150 nan 0.000 0.540 398 V N 6.682 126.694 119.914 0.163 0.000 2.385 398 V HA 0.278 4.398 4.120 -0.000 0.000 0.269 398 V C -1.884 174.287 176.094 0.127 0.000 1.043 398 V CA -1.368 60.998 62.300 0.109 0.000 0.906 398 V CB 1.052 32.852 31.823 -0.039 0.000 0.995 398 V HN 0.823 nan 8.190 nan 0.000 0.467 399 P HA 0.364 nan 4.420 nan 0.000 0.275 399 P C -0.851 176.293 177.300 -0.260 0.000 1.227 399 P CA -0.212 62.757 63.100 -0.218 0.000 0.781 399 P CB 1.066 32.697 31.700 -0.115 0.000 0.906 400 M N 1.290 120.659 119.600 -0.385 0.000 2.575 400 M HA 0.380 4.859 4.480 -0.000 0.000 0.284 400 M C -0.238 175.754 176.300 -0.513 0.000 1.253 400 M CA -0.658 54.275 55.300 -0.612 0.000 0.861 400 M CB 1.770 33.773 32.600 -0.995 0.000 1.733 400 M HN 0.184 nan 8.290 nan 0.000 0.462 401 F N -0.836 118.929 119.950 -0.308 0.000 3.074 401 F HA -0.216 4.311 4.527 -0.000 0.000 0.287 401 F C 0.447 176.231 175.800 -0.025 0.000 0.932 401 F CA 0.136 57.938 58.000 -0.328 0.000 0.995 401 F CB -1.387 37.124 39.000 -0.816 0.000 0.966 401 F HN 0.507 nan 8.300 nan 0.000 0.721 402 K N 2.372 122.830 120.400 0.097 0.000 2.472 402 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 402 K C 0.146 176.836 176.600 0.150 0.000 1.028 402 K CA 0.865 57.228 56.287 0.127 0.000 1.045 402 K CB 0.656 33.206 32.500 0.083 0.000 0.902 402 K HN 0.429 nan 8.250 nan 0.000 0.478 403 S N 2.637 118.406 115.700 0.117 0.000 2.611 403 S HA 0.364 4.834 4.470 -0.000 0.000 0.268 403 S C -1.093 173.475 174.600 -0.053 0.000 1.156 403 S CA -1.177 57.056 58.200 0.056 0.000 0.817 403 S CB 0.617 63.888 63.200 0.119 0.000 1.122 403 S HN 0.485 nan 8.310 nan 0.000 0.466 404 N N 2.317 120.984 118.700 -0.056 0.000 3.245 404 N HA 0.397 5.137 4.740 -0.000 0.000 0.296 404 N C -1.017 174.407 175.510 -0.143 0.000 1.254 404 N CA -0.067 52.929 53.050 -0.091 0.000 1.190 404 N CB -0.756 37.697 38.487 -0.056 0.000 1.460 404 N HN 0.442 nan 8.380 nan 0.000 0.538 405 N N 0.339 118.883 118.700 -0.260 0.000 2.284 405 N HA 0.329 5.068 4.740 -0.000 0.000 0.289 405 N C -0.567 174.677 175.510 -0.444 0.000 1.179 405 N CA -0.525 52.307 53.050 -0.363 0.000 0.774 405 N CB 2.102 40.279 38.487 -0.518 0.000 1.548 405 N HN 0.090 nan 8.380 nan 0.000 0.473 406 R N 1.474 121.795 120.500 -0.299 0.000 2.233 406 R HA 0.295 4.635 4.340 -0.000 0.000 0.334 406 R C -0.665 175.550 176.300 -0.140 0.000 1.037 406 R CA -0.381 55.608 56.100 -0.186 0.000 0.920 406 R CB 0.325 30.581 30.300 -0.074 0.000 1.137 406 R HN 0.469 nan 8.270 nan 0.000 0.492 407 Y N 1.755 122.059 120.300 0.008 0.000 2.402 407 Y HA 0.028 4.578 4.550 -0.000 0.000 0.333 407 Y C 1.564 177.467 175.900 0.005 0.000 1.076 407 Y CA -0.270 57.839 58.100 0.014 0.000 1.299 407 Y CB 0.935 39.405 38.460 0.018 0.000 1.197 407 Y HN 0.442 nan 8.280 nan 0.000 0.517 408 R N 1.005 121.597 120.500 0.154 0.000 2.195 408 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 408 R C -0.904 175.394 176.300 -0.003 0.000 0.990 408 R CA 0.788 56.914 56.100 0.043 0.000 1.048 408 R CB 0.481 30.788 30.300 0.012 0.000 0.997 408 R HN 0.729 nan 8.270 nan 0.000 0.502 409 D N -1.720 118.701 120.400 0.035 0.000 2.653 409 D HA 0.344 4.983 4.640 -0.000 0.000 0.258 409 D C -2.001 174.310 176.300 0.018 0.000 1.252 409 D CA -0.311 53.696 54.000 0.012 0.000 0.777 409 D CB 1.998 42.791 40.800 -0.011 0.000 1.339 409 D HN -0.153 nan 8.370 nan 0.000 0.422 410 V N 2.210 122.111 119.914 -0.022 0.000 2.969 410 V HA 0.771 4.891 4.120 -0.000 0.000 0.304 410 V C -1.118 174.763 176.094 -0.356 0.000 1.192 410 V CA -0.481 61.761 62.300 -0.096 0.000 0.962 410 V CB 1.606 33.384 31.823 -0.076 0.000 1.045 410 V HN 0.640 nan 8.190 nan 0.000 0.428 411 I N 3.382 123.720 120.570 -0.386 0.000 3.354 411 I HA 1.072 5.242 4.170 -0.000 0.000 0.316 411 I C -0.498 175.451 176.117 -0.280 0.000 1.182 411 I CA -0.924 59.876 61.300 -0.834 0.000 0.942 411 I CB 2.081 39.943 38.000 -0.230 0.000 1.299 411 I HN 0.846 nan 8.210 nan 0.000 0.473 412 A N 1.163 123.956 122.820 -0.045 0.000 2.423 412 A HA 0.799 5.119 4.320 -0.000 0.000 0.304 412 A C -0.259 177.417 177.584 0.154 0.000 1.104 412 A CA -0.303 51.871 52.037 0.228 0.000 0.757 412 A CB 1.421 20.675 19.000 0.423 0.000 1.313 412 A HN 0.988 nan 8.150 nan 0.000 0.423 413 S N 0.782 116.543 115.700 0.101 0.000 2.600 413 S HA 0.346 4.816 4.470 -0.000 0.000 0.265 413 S C -1.942 172.411 174.600 -0.411 0.000 1.325 413 S CA -0.503 57.531 58.200 -0.276 0.000 1.002 413 S CB 0.258 63.435 63.200 -0.038 0.000 0.921 413 S HN 0.397 nan 8.310 nan 0.000 0.554 414 P HA -0.055 nan 4.420 nan 0.000 0.216 414 P C 0.520 177.684 177.300 -0.228 0.000 1.150 414 P CA 1.135 63.973 63.100 -0.436 0.000 0.837 414 P CB -0.044 31.394 31.700 -0.436 0.000 0.786 415 D N -1.958 118.346 120.400 -0.161 0.000 2.317 415 D HA 0.037 4.677 4.640 -0.000 0.000 0.211 415 D C 1.715 177.980 176.300 -0.058 0.000 0.966 415 D CA 1.418 55.368 54.000 -0.083 0.000 0.876 415 D CB -0.549 40.226 40.800 -0.042 0.000 0.927 415 D HN 0.167 nan 8.370 nan 0.000 0.519 416 G N 1.300 110.071 108.800 -0.049 0.000 2.176 416 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 416 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 416 G C 0.830 175.831 174.900 0.168 0.000 0.979 416 G CA 0.551 45.685 45.100 0.056 0.000 0.641 416 G HN 0.460 nan 8.290 nan 0.000 0.530 417 N N -0.097 118.640 118.700 0.062 0.000 2.280 417 N HA 0.217 4.957 4.740 -0.000 0.000 0.192 417 N C 0.269 175.815 175.510 0.059 0.000 1.109 417 N CA 0.778 53.842 53.050 0.024 0.000 0.855 417 N CB 0.617 39.087 38.487 -0.028 0.000 0.974 417 N HN 0.435 nan 8.380 nan 0.000 0.482 418 V N 1.513 121.457 119.914 0.050 0.000 2.656 418 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 418 V C -0.292 175.728 176.094 -0.122 0.000 1.051 418 V CA -0.852 61.414 62.300 -0.055 0.000 0.893 418 V CB 2.345 34.058 31.823 -0.183 0.000 0.999 418 V HN 0.036 nan 8.190 nan 0.000 0.426 419 L N 4.368 125.493 121.223 -0.163 0.000 2.334 419 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 419 L C -1.359 175.287 176.870 -0.374 0.000 1.014 419 L CA -0.658 54.101 54.840 -0.135 0.000 0.815 419 L CB 1.739 43.783 42.059 -0.024 0.000 1.268 419 L HN 0.559 nan 8.230 nan 0.000 0.428 420 Y N 1.643 121.958 120.300 0.024 0.000 2.341 420 Y HA 0.612 5.161 4.550 -0.000 0.000 0.338 420 Y C -0.132 175.752 175.900 -0.027 0.000 0.965 420 Y CA -0.857 57.242 58.100 -0.002 0.000 1.108 420 Y CB 2.117 40.612 38.460 0.060 0.000 1.180 420 Y HN 0.137 nan 8.280 nan 0.000 0.458 421 V N 4.590 124.562 119.914 0.096 0.000 2.823 421 V HA 0.482 4.602 4.120 -0.000 0.000 0.312 421 V C -0.482 175.675 176.094 0.106 0.000 1.072 421 V CA -1.105 61.244 62.300 0.082 0.000 0.937 421 V CB 2.364 34.236 31.823 0.081 0.000 1.013 421 V HN 0.598 nan 8.190 nan 0.000 0.430 422 L N 3.073 124.364 121.223 0.113 0.000 2.325 422 L HA 0.768 5.108 4.340 -0.000 0.000 0.278 422 L C 0.215 177.166 176.870 0.136 0.000 1.023 422 L CA -0.307 54.592 54.840 0.098 0.000 0.811 422 L CB 2.169 44.267 42.059 0.065 0.000 1.249 422 L HN 0.866 nan 8.230 nan 0.000 0.431 423 T N -2.773 111.835 114.554 0.090 0.000 2.887 423 T HA 0.429 4.779 4.350 -0.000 0.000 0.288 423 T C -0.533 174.178 174.700 0.018 0.000 1.021 423 T CA -1.062 61.068 62.100 0.050 0.000 1.000 423 T CB 1.949 70.820 68.868 0.003 0.000 1.034 423 T HN 0.266 nan 8.240 nan 0.000 0.467 424 D N 1.399 121.799 120.400 0.000 0.000 2.368 424 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 424 D C 1.268 177.565 176.300 -0.005 0.000 1.169 424 D CA -0.174 53.830 54.000 0.007 0.000 0.906 424 D CB 1.016 41.819 40.800 0.006 0.000 1.187 424 D HN 0.638 nan 8.370 nan 0.000 0.435 425 T N -0.071 114.484 114.554 0.003 0.000 2.812 425 T HA 0.194 4.544 4.350 -0.000 0.000 0.264 425 T C 0.558 175.252 174.700 -0.010 0.000 1.042 425 T CA 1.117 63.214 62.100 -0.005 0.000 1.140 425 T CB 0.182 69.049 68.868 -0.001 0.000 0.870 425 T HN 0.541 nan 8.240 nan 0.000 0.445 426 A N -0.942 121.875 122.820 -0.006 0.000 2.602 426 A HA 0.782 5.102 4.320 -0.000 0.000 0.290 426 A C -0.133 177.449 177.584 -0.003 0.000 1.114 426 A CA -0.099 51.933 52.037 -0.008 0.000 0.683 426 A CB 1.186 20.183 19.000 -0.006 0.000 1.281 426 A HN 0.708 nan 8.150 nan 0.000 0.416 427 G N 0.060 108.858 108.800 -0.003 0.000 2.359 427 G HA2 0.299 4.259 3.960 -0.000 0.000 0.303 427 G HA3 0.299 4.259 3.960 -0.000 0.000 0.303 427 G C -1.770 173.129 174.900 -0.002 0.000 1.293 427 G CA -0.859 44.247 45.100 0.010 0.000 0.964 427 G HN 0.899 nan 8.290 nan 0.000 0.531 428 N N -0.937 117.773 118.700 0.017 0.000 2.509 428 N HA 0.690 5.430 4.740 -0.000 0.000 0.287 428 N C -0.706 174.767 175.510 -0.062 0.000 1.121 428 N CA -0.238 52.796 53.050 -0.027 0.000 0.977 428 N CB 2.075 40.542 38.487 -0.032 0.000 1.167 428 N HN 0.909 nan 8.380 nan 0.000 0.476 429 V N 0.640 120.495 119.914 -0.099 0.000 3.012 429 V HA 0.235 4.355 4.120 -0.000 0.000 0.307 429 V C -1.004 175.009 176.094 -0.134 0.000 1.166 429 V CA -0.788 61.440 62.300 -0.119 0.000 0.974 429 V CB 2.388 34.139 31.823 -0.121 0.000 1.040 429 V HN 0.680 nan 8.190 nan 0.000 0.428 430 Q N 4.130 123.839 119.800 -0.152 0.000 2.286 430 Q HA 0.400 4.740 4.340 -0.000 0.000 0.257 430 Q C -0.353 175.584 176.000 -0.105 0.000 0.941 430 Q CA -0.286 55.432 55.803 -0.141 0.000 0.912 430 Q CB 0.972 29.608 28.738 -0.170 0.000 1.192 430 Q HN 0.695 nan 8.270 nan 0.000 0.410 431 K N 2.678 123.035 120.400 -0.072 0.000 2.117 431 K HA 0.083 4.403 4.320 -0.000 0.000 0.240 431 K C 0.305 176.896 176.600 -0.015 0.000 1.031 431 K CA -0.825 55.437 56.287 -0.042 0.000 0.909 431 K CB 0.494 32.975 32.500 -0.032 0.000 1.097 431 K HN 0.595 nan 8.250 nan 0.000 0.492 432 D N 1.616 122.019 120.400 0.006 0.000 2.158 432 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 432 D C 1.071 177.392 176.300 0.036 0.000 0.995 432 D CA 1.566 55.586 54.000 0.032 0.000 0.846 432 D CB -0.221 40.598 40.800 0.032 0.000 0.941 432 D HN 0.597 nan 8.370 nan 0.000 0.456 433 D N -1.549 118.862 120.400 0.018 0.000 2.328 433 D HA 0.141 4.781 4.640 -0.000 0.000 0.226 433 D C 1.530 177.840 176.300 0.018 0.000 1.066 433 D CA 0.782 54.793 54.000 0.018 0.000 0.861 433 D CB 0.002 40.807 40.800 0.008 0.000 0.912 433 D HN 0.228 nan 8.370 nan 0.000 0.521 434 G N -0.014 108.796 108.800 0.015 0.000 2.241 434 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.244 434 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.244 434 G C 0.561 175.447 174.900 -0.023 0.000 0.998 434 G CA 0.449 45.556 45.100 0.010 0.000 0.621 434 G HN 0.854 nan 8.290 nan 0.000 0.519 435 S N -0.517 115.165 115.700 -0.029 0.000 2.634 435 S HA 0.727 5.197 4.470 -0.000 0.000 0.261 435 S C 0.347 174.903 174.600 -0.074 0.000 1.271 435 S CA 0.012 58.183 58.200 -0.048 0.000 0.985 435 S CB 2.078 65.257 63.200 -0.035 0.000 0.968 435 S HN 1.120 nan 8.310 nan 0.000 0.568 436 V N 0.606 120.466 119.914 -0.090 0.000 2.612 436 V HA 0.755 4.875 4.120 -0.000 0.000 0.301 436 V C 0.407 176.452 176.094 -0.082 0.000 1.046 436 V CA -0.522 61.711 62.300 -0.113 0.000 0.946 436 V CB 1.453 33.181 31.823 -0.158 0.000 1.003 436 V HN 1.073 nan 8.190 nan 0.000 0.459 437 T N 1.485 115.991 114.554 -0.080 0.000 2.916 437 T HA 0.396 4.746 4.350 -0.000 0.000 0.305 437 T C 0.060 174.726 174.700 -0.056 0.000 1.119 437 T CA -0.533 61.532 62.100 -0.058 0.000 1.008 437 T CB 1.363 70.201 68.868 -0.049 0.000 1.129 437 T HN 0.865 nan 8.240 nan 0.000 0.480 438 N N 0.966 119.641 118.700 -0.041 0.000 2.204 438 N HA 0.152 4.892 4.740 -0.000 0.000 0.219 438 N C -0.203 175.288 175.510 -0.031 0.000 1.151 438 N CA -0.331 52.699 53.050 -0.033 0.000 0.867 438 N CB 0.383 38.857 38.487 -0.021 0.000 1.043 438 N HN 0.378 nan 8.380 nan 0.000 0.516 439 T N 2.182 116.717 114.554 -0.033 0.000 2.875 439 T HA 0.320 4.670 4.350 -0.000 0.000 0.307 439 T C 0.089 174.767 174.700 -0.037 0.000 1.013 439 T CA -0.447 61.635 62.100 -0.030 0.000 0.970 439 T CB 0.175 69.029 68.868 -0.024 0.000 0.986 439 T HN 0.140 nan 8.240 nan 0.000 0.536 440 L N 2.902 124.101 121.223 -0.040 0.000 2.326 440 L HA 0.340 4.680 4.340 -0.000 0.000 0.278 440 L C 1.907 178.751 176.870 -0.042 0.000 1.092 440 L CA -0.522 54.287 54.840 -0.052 0.000 0.810 440 L CB 0.967 42.991 42.059 -0.058 0.000 1.153 440 L HN 0.620 nan 8.230 nan 0.000 0.439 441 E N 2.620 122.794 120.200 -0.044 0.000 2.077 441 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 441 E C -0.042 176.545 176.600 -0.022 0.000 0.989 441 E CA 1.274 57.659 56.400 -0.025 0.000 0.800 441 E CB 0.278 29.970 29.700 -0.013 0.000 0.746 441 E HN 0.710 nan 8.360 nan 0.000 0.452 442 N N 1.429 120.110 118.700 -0.032 0.000 2.791 442 N HA 0.238 4.978 4.740 -0.000 0.000 0.265 442 N C -2.750 172.742 175.510 -0.029 0.000 1.580 442 N CA -1.276 51.760 53.050 -0.024 0.000 0.809 442 N CB 1.715 40.194 38.487 -0.013 0.000 1.178 442 N HN 0.048 nan 8.380 nan 0.000 0.499 443 P HA 0.083 nan 4.420 nan 0.000 0.265 443 P C 0.806 178.097 177.300 -0.016 0.000 1.193 443 P CA 0.416 63.501 63.100 -0.024 0.000 0.765 443 P CB 0.495 32.182 31.700 -0.021 0.000 0.823 444 G N 2.182 110.976 108.800 -0.010 0.000 2.357 444 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.282 444 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.282 444 G C -0.121 174.778 174.900 -0.002 0.000 0.910 444 G CA 0.112 45.211 45.100 -0.002 0.000 1.267 444 G HN 0.549 nan 8.290 nan 0.000 0.476 445 S N -0.684 115.018 115.700 0.004 0.000 2.634 445 S HA 0.722 5.192 4.470 -0.000 0.000 0.296 445 S C -0.546 174.063 174.600 0.015 0.000 1.104 445 S CA -0.818 57.382 58.200 0.002 0.000 0.920 445 S CB 2.111 65.306 63.200 -0.008 0.000 1.111 445 S HN 0.971 nan 8.310 nan 0.000 0.493 446 L N 2.649 123.876 121.223 0.007 0.000 2.295 446 L HA 0.650 4.989 4.340 -0.000 0.000 0.281 446 L C -1.463 175.403 176.870 -0.007 0.000 1.018 446 L CA -0.091 54.761 54.840 0.021 0.000 0.841 446 L CB -0.095 41.977 42.059 0.022 0.000 1.218 446 L HN 0.592 nan 8.230 nan 0.000 0.424 447 I N 4.789 125.331 120.570 -0.047 0.000 2.603 447 I HA 0.501 4.671 4.170 -0.000 0.000 0.300 447 I C -0.511 175.413 176.117 -0.322 0.000 1.017 447 I CA -0.828 60.343 61.300 -0.215 0.000 1.098 447 I CB 1.952 39.762 38.000 -0.316 0.000 1.279 447 I HN 0.588 nan 8.210 nan 0.000 0.437 448 K N 4.202 124.343 120.400 -0.433 0.000 2.259 448 K HA 0.672 4.992 4.320 -0.000 0.000 0.252 448 K C -1.681 174.514 176.600 -0.676 0.000 0.936 448 K CA -0.550 55.447 56.287 -0.485 0.000 0.810 448 K CB 1.794 34.118 32.500 -0.293 0.000 1.143 448 K HN 0.318 nan 8.250 nan 0.000 0.427 449 F N 1.399 121.166 119.950 -0.305 0.000 2.460 449 F HA 0.326 4.853 4.527 -0.000 0.000 0.341 449 F C 0.014 175.851 175.800 0.061 0.000 1.130 449 F CA -0.544 57.342 58.000 -0.190 0.000 0.962 449 F CB 2.468 41.086 39.000 -0.636 0.000 1.171 449 F HN 0.543 nan 8.300 nan 0.000 0.436 450 T N 0.000 114.744 114.554 0.316 0.000 3.816 450 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 450 T CA 0.000 62.217 62.100 0.195 0.000 1.349 450 T CB 0.000 68.905 68.868 0.061 0.000 0.612 450 T HN 0.000 nan 8.240 nan 0.000 0.658