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 2y7h_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNNNDLVAKL WKLCDNLRDG GVSYQNYVNE LASLLFLKMC KETGQEAEYL DATA SEQUENCE PEGYRWDDLK SRIGQEQLQF YRKMLVHLGE DDKKLVQAVF HNVSTTITEP DATA SEQUENCE KQITALVSNM DSLDWYNGAH GKSRDDFGDM YEGLLQKNAN ETKSGAGQYF DATA SEQUENCE TPRPLIKTII HLLKPQPREV VQDPAAGTAG FLIEADRYVK SQTNDLDDLD DATA SEQUENCE GDTQDFQIHR AFIGLELVPG TRRLALMNCL LHDIEGNLDH GGAIRLGNTL DATA SEQUENCE GSDGENLPKA HIVATNPPFG SAAGTNITRT FVHPTSNKQL CFMQHIIETL DATA SEQUENCE HPGGRAAVVV PDNVLFEGGK GTDIRRDLMD KCHLHTILRL PTGIFYAQGV DATA SEQUENCE KTNVLFFTKG TVANPNQDKN CTDDVWVYDL RTNMPSFGKR TPFTDEHLQP DATA SEQUENCE FERVYGEDPH GLSPRTEGEW SFNAEETEVA DSEENKNTDQ HLATSRWRKF DATA SEQUENCE SREWIRTAKS DSLDISWLKD KDSIDADSLP EPDVLAAEAM GELVQALSEL DATA SEQUENCE DALMRELGAS DEADLQRQLL EEAFGGVKE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.329 176.300 0.048 0.000 1.140 1 M CA 0.000 55.342 55.300 0.071 0.000 0.988 1 M CB 0.000 32.649 32.600 0.082 0.000 1.302 2 N N 1.064 119.792 118.700 0.046 0.000 2.484 2 N HA 0.674 5.399 4.740 -0.025 0.000 0.269 2 N C -2.061 173.466 175.510 0.030 0.000 1.237 2 N CA -0.418 52.651 53.050 0.031 0.000 0.838 2 N CB 2.600 41.098 38.487 0.019 0.000 1.593 2 N HN 0.848 nan 8.380 nan 0.000 0.485 3 N N 1.338 120.052 118.700 0.023 0.000 2.591 3 N HA 0.309 5.034 4.740 -0.025 0.000 0.263 3 N C -1.256 174.264 175.510 0.016 0.000 1.308 3 N CA -0.542 52.522 53.050 0.022 0.000 0.837 3 N CB 2.496 41.002 38.487 0.033 0.000 1.548 3 N HN 0.762 nan 8.380 nan 0.000 0.493 4 N N -0.449 118.265 118.700 0.023 0.000 2.505 4 N HA 0.010 4.735 4.740 -0.025 0.000 0.240 4 N C -0.547 174.988 175.510 0.042 0.000 1.677 4 N CA -0.169 52.895 53.050 0.024 0.000 1.492 4 N CB 0.054 38.557 38.487 0.027 0.000 0.839 4 N HN 0.352 nan 8.380 nan 0.000 1.028 5 D N 1.340 121.797 120.400 0.095 0.000 2.117 5 D HA -0.094 4.531 4.640 -0.025 0.000 0.197 5 D C 1.883 178.245 176.300 0.104 0.000 0.987 5 D CA 0.826 54.913 54.000 0.144 0.000 0.829 5 D CB -0.052 41.012 40.800 0.440 0.000 0.961 5 D HN 0.226 nan 8.370 nan 0.000 0.460 6 L N 0.844 122.150 121.223 0.139 0.000 2.046 6 L HA -0.106 4.219 4.340 -0.025 0.000 0.208 6 L C 2.341 179.248 176.870 0.061 0.000 1.077 6 L CA 1.174 56.068 54.840 0.090 0.000 0.747 6 L CB -0.552 41.515 42.059 0.014 0.000 0.896 6 L HN -0.109 nan 8.230 nan 0.000 0.432 7 V N -0.347 119.601 119.914 0.057 0.000 2.407 7 V HA -0.255 3.850 4.120 -0.025 0.000 0.248 7 V C 2.566 178.717 176.094 0.095 0.000 1.055 7 V CA 1.827 64.170 62.300 0.072 0.000 1.049 7 V CB -0.528 31.325 31.823 0.050 0.000 0.662 7 V HN 0.563 nan 8.190 nan 0.000 0.455 8 A N -0.460 122.391 122.820 0.052 0.000 1.902 8 A HA -0.264 4.041 4.320 -0.025 0.000 0.217 8 A C 2.333 180.000 177.584 0.138 0.000 1.181 8 A CA 2.210 54.283 52.037 0.060 0.000 0.623 8 A CB -0.646 18.342 19.000 -0.019 0.000 0.818 8 A HN 0.622 nan 8.150 nan 0.000 0.443 9 K N -0.351 120.080 120.400 0.051 0.000 2.057 9 K HA -0.052 4.253 4.320 -0.025 0.000 0.207 9 K C 1.854 178.497 176.600 0.072 0.000 1.049 9 K CA 1.352 57.650 56.287 0.018 0.000 0.931 9 K CB -0.301 32.161 32.500 -0.064 0.000 0.714 9 K HN 0.495 nan 8.250 nan 0.000 0.440 10 L N -0.662 120.623 121.223 0.104 0.000 2.083 10 L HA -0.177 4.148 4.340 -0.025 0.000 0.209 10 L C 2.287 179.212 176.870 0.092 0.000 1.083 10 L CA 1.159 56.064 54.840 0.108 0.000 0.752 10 L CB -0.519 41.624 42.059 0.139 0.000 0.899 10 L HN 0.431 nan 8.230 nan 0.000 0.433 11 W N 1.724 122.992 121.300 -0.054 0.000 2.338 11 W HA -0.224 4.417 4.660 -0.031 0.000 0.304 11 W C 2.432 178.881 176.519 -0.117 0.000 1.212 11 W CA 1.543 58.833 57.345 -0.092 0.000 1.264 11 W CB 0.002 29.422 29.460 -0.067 0.000 1.142 11 W HN -0.077 nan 8.180 nan 0.000 0.512 12 K N 0.004 120.423 120.400 0.032 0.000 2.097 12 K HA -0.175 4.130 4.320 -0.025 0.000 0.206 12 K C 1.999 178.422 176.600 -0.295 0.000 1.049 12 K CA 1.799 57.971 56.287 -0.192 0.000 0.933 12 K CB -0.672 31.836 32.500 0.013 0.000 0.717 12 K HN 0.269 nan 8.250 nan 0.000 0.442 13 L N 0.481 121.596 121.223 -0.181 0.000 2.131 13 L HA -0.229 4.096 4.340 -0.025 0.000 0.210 13 L C 2.421 179.136 176.870 -0.259 0.000 1.092 13 L CA 0.764 55.511 54.840 -0.157 0.000 0.759 13 L CB -0.583 41.441 42.059 -0.057 0.000 0.903 13 L HN 0.319 nan 8.230 nan 0.000 0.435 14 C N -0.273 118.773 119.300 -0.424 0.000 2.419 14 C HA -0.169 4.276 4.460 -0.025 0.000 0.281 14 C C 2.468 177.039 174.990 -0.698 0.000 1.336 14 C CA 0.701 59.307 59.018 -0.687 0.000 1.770 14 C CB -0.837 26.206 27.740 -1.160 0.000 1.929 14 C HN 0.565 nan 8.230 nan 0.000 0.509 15 D N 1.280 121.307 120.400 -0.622 0.000 2.123 15 D HA -0.128 4.497 4.640 -0.025 0.000 0.196 15 D C 1.945 178.082 176.300 -0.272 0.000 0.992 15 D CA 1.329 55.043 54.000 -0.476 0.000 0.833 15 D CB -0.414 40.132 40.800 -0.424 0.000 0.954 15 D HN 0.442 nan 8.370 nan 0.000 0.455 16 N N 0.001 118.573 118.700 -0.214 0.000 2.120 16 N HA -0.117 4.608 4.740 -0.025 0.000 0.188 16 N C 2.156 177.614 175.510 -0.087 0.000 1.024 16 N CA 0.582 53.555 53.050 -0.127 0.000 0.852 16 N CB -0.293 38.133 38.487 -0.102 0.000 1.003 16 N HN 0.329 nan 8.380 nan 0.000 0.424 17 L N 0.900 122.085 121.223 -0.063 0.000 2.046 17 L HA -0.117 4.208 4.340 -0.025 0.000 0.208 17 L C 2.732 179.667 176.870 0.110 0.000 1.077 17 L CA 0.963 55.848 54.840 0.074 0.000 0.747 17 L CB -0.354 41.895 42.059 0.317 0.000 0.896 17 L HN 0.164 nan 8.230 nan 0.000 0.432 18 R N 0.322 120.875 120.500 0.089 0.000 2.073 18 R HA -0.185 4.140 4.340 -0.025 0.000 0.234 18 R C 1.828 178.095 176.300 -0.056 0.000 1.134 18 R CA 2.009 58.103 56.100 -0.010 0.000 0.952 18 R CB -0.138 30.087 30.300 -0.125 0.000 0.850 18 R HN 0.323 nan 8.270 nan 0.000 0.433 19 D N -0.775 119.588 120.400 -0.061 0.000 2.219 19 D HA -0.067 4.558 4.640 -0.025 0.000 0.205 19 D C 1.658 177.934 176.300 -0.040 0.000 0.970 19 D CA 1.295 55.267 54.000 -0.047 0.000 0.851 19 D CB -0.280 40.488 40.800 -0.054 0.000 0.943 19 D HN 0.526 nan 8.370 nan 0.000 0.488 20 G N -0.051 108.724 108.800 -0.042 0.000 2.422 20 G HA2 0.048 3.993 3.960 -0.025 0.000 0.218 20 G HA3 0.048 3.993 3.960 -0.025 0.000 0.218 20 G C 1.288 176.165 174.900 -0.038 0.000 1.140 20 G CA 1.092 46.168 45.100 -0.039 0.000 0.775 20 G HN 0.488 nan 8.290 nan 0.000 0.545 21 G N -1.841 106.931 108.800 -0.048 0.000 2.229 21 G HA2 -0.171 3.774 3.960 -0.025 0.000 0.189 21 G HA3 -0.171 3.774 3.960 -0.025 0.000 0.189 21 G C 0.229 175.081 174.900 -0.081 0.000 1.000 21 G CA 0.013 45.083 45.100 -0.050 0.000 0.663 21 G HN 0.637 nan 8.290 nan 0.000 0.493 22 V N 1.762 121.615 119.914 -0.102 0.000 2.715 22 V HA 0.556 4.661 4.120 -0.025 0.000 0.299 22 V C 1.336 177.218 176.094 -0.352 0.000 1.054 22 V CA 0.673 62.869 62.300 -0.173 0.000 1.077 22 V CB 1.526 33.265 31.823 -0.140 0.000 0.972 22 V HN 0.508 nan 8.190 nan 0.000 0.484 23 S N 2.205 117.683 115.700 -0.370 0.000 2.632 23 S HA 0.269 4.724 4.470 -0.025 0.000 0.267 23 S C 0.768 174.827 174.600 -0.901 0.000 1.276 23 S CA -0.219 57.734 58.200 -0.411 0.000 0.998 23 S CB 0.360 63.465 63.200 -0.159 0.000 0.953 23 S HN 0.517 nan 8.310 nan 0.000 0.547 24 Y N 0.990 120.936 120.300 -0.590 0.000 2.224 24 Y HA -0.112 4.432 4.550 -0.010 0.000 0.289 24 Y C 2.750 178.418 175.900 -0.387 0.000 1.146 24 Y CA 1.810 59.549 58.100 -0.600 0.000 1.182 24 Y CB -0.371 38.108 38.460 0.031 0.000 0.983 24 Y HN 0.737 nan 8.280 nan 0.000 0.524 25 Q N 0.365 120.129 119.800 -0.061 0.000 2.124 25 Q HA -0.181 4.144 4.340 -0.025 0.000 0.202 25 Q C 0.667 176.618 176.000 -0.082 0.000 0.977 25 Q CA 1.520 57.318 55.803 -0.008 0.000 0.850 25 Q CB -0.037 28.728 28.738 0.045 0.000 0.901 25 Q HN 0.401 nan 8.270 nan 0.000 0.429 26 N N -0.294 118.287 118.700 -0.198 0.000 2.295 26 N HA 0.003 4.728 4.740 -0.025 0.000 0.221 26 N C 0.125 175.571 175.510 -0.108 0.000 1.129 26 N CA 0.108 53.083 53.050 -0.125 0.000 0.836 26 N CB 0.221 38.642 38.487 -0.110 0.000 1.040 26 N HN 0.305 nan 8.380 nan 0.000 0.494 27 Y N 0.944 121.242 120.300 -0.002 0.000 2.163 27 Y HA -0.180 4.354 4.550 -0.028 0.000 0.288 27 Y C 2.501 178.426 175.900 0.042 0.000 1.136 27 Y CA 0.838 58.930 58.100 -0.014 0.000 1.147 27 Y CB -0.806 37.634 38.460 -0.033 0.000 0.987 27 Y HN -0.028 nan 8.280 nan 0.000 0.509 28 V N -0.754 119.275 119.914 0.192 0.000 2.343 28 V HA -0.291 3.814 4.120 -0.025 0.000 0.247 28 V C 2.068 178.429 176.094 0.446 0.000 1.051 28 V CA 2.341 64.755 62.300 0.189 0.000 1.036 28 V CB -1.003 30.650 31.823 -0.283 0.000 0.654 28 V HN 0.533 nan 8.190 nan 0.000 0.451 29 N N 0.409 119.265 118.700 0.259 0.000 2.104 29 N HA -0.243 4.482 4.740 -0.025 0.000 0.190 29 N C 1.923 177.541 175.510 0.180 0.000 1.024 29 N CA 1.989 55.157 53.050 0.196 0.000 0.853 29 N CB -0.107 38.434 38.487 0.091 0.000 1.008 29 N HN 0.621 nan 8.380 nan 0.000 0.424 30 E N 1.104 121.404 120.200 0.167 0.000 2.051 30 E HA -0.124 4.211 4.350 -0.025 0.000 0.192 30 E C 2.306 179.015 176.600 0.180 0.000 0.991 30 E CA 0.582 57.072 56.400 0.151 0.000 0.799 30 E CB -0.418 29.345 29.700 0.105 0.000 0.748 30 E HN 0.487 nan 8.360 nan 0.000 0.449 31 L N 0.520 121.877 121.223 0.224 0.000 2.056 31 L HA -0.124 4.201 4.340 -0.025 0.000 0.207 31 L C 2.595 179.603 176.870 0.230 0.000 1.078 31 L CA 1.052 56.032 54.840 0.233 0.000 0.749 31 L CB -0.605 41.622 42.059 0.280 0.000 0.901 31 L HN 0.057 nan 8.230 nan 0.000 0.433 32 A N 0.489 123.439 122.820 0.217 0.000 1.902 32 A HA -0.236 4.069 4.320 -0.025 0.000 0.217 32 A C 2.562 180.196 177.584 0.083 0.000 1.181 32 A CA 2.154 54.182 52.037 -0.014 0.000 0.623 32 A CB -0.725 18.086 19.000 -0.315 0.000 0.818 32 A HN 0.536 nan 8.150 nan 0.000 0.443 33 S N 0.210 116.002 115.700 0.154 0.000 2.356 33 S HA -0.118 4.337 4.470 -0.025 0.000 0.223 33 S C 1.921 176.780 174.600 0.432 0.000 1.032 33 S CA 1.513 59.880 58.200 0.278 0.000 1.005 33 S CB -0.843 62.583 63.200 0.376 0.000 0.867 33 S HN 0.447 nan 8.310 nan 0.000 0.449 34 L N 0.863 122.314 121.223 0.380 0.000 2.046 34 L HA -0.020 4.305 4.340 -0.025 0.000 0.208 34 L C 2.721 179.842 176.870 0.419 0.000 1.077 34 L CA 1.154 56.264 54.840 0.450 0.000 0.747 34 L CB -0.717 41.542 42.059 0.335 0.000 0.896 34 L HN 0.310 nan 8.230 nan 0.000 0.432 35 L N -1.266 120.095 121.223 0.229 0.000 2.083 35 L HA -0.245 4.080 4.340 -0.025 0.000 0.209 35 L C 2.592 179.455 176.870 -0.013 0.000 1.083 35 L CA 1.216 56.078 54.840 0.035 0.000 0.752 35 L CB -0.567 41.503 42.059 0.020 0.000 0.899 35 L HN 0.175 nan 8.230 nan 0.000 0.433 36 F N 0.878 120.838 119.950 0.016 0.000 2.102 36 F HA -0.233 4.279 4.527 -0.025 0.000 0.298 36 F C 2.222 178.051 175.800 0.048 0.000 1.105 36 F CA 1.577 59.587 58.000 0.016 0.000 1.239 36 F CB -0.174 38.886 39.000 0.101 0.000 0.991 36 F HN -0.131 nan 8.300 nan 0.000 0.474 37 L N -0.001 121.387 121.223 0.275 0.000 2.046 37 L HA -0.216 4.109 4.340 -0.025 0.000 0.208 37 L C 2.465 179.326 176.870 -0.016 0.000 1.077 37 L CA 1.703 56.695 54.840 0.254 0.000 0.747 37 L CB -0.819 41.600 42.059 0.600 0.000 0.896 37 L HN 0.101 nan 8.230 nan 0.000 0.432 38 K N 0.268 120.446 120.400 -0.369 0.000 2.026 38 K HA -0.168 4.137 4.320 -0.025 0.000 0.208 38 K C 2.104 178.213 176.600 -0.817 0.000 1.048 38 K CA 1.577 57.025 56.287 -1.397 0.000 0.929 38 K CB -0.095 31.430 32.500 -1.624 0.000 0.713 38 K HN 0.039 nan 8.250 nan 0.000 0.439 39 M N 0.111 119.363 119.600 -0.581 0.000 2.159 39 M HA -0.157 4.308 4.480 -0.025 0.000 0.263 39 M C 2.442 178.492 176.300 -0.417 0.000 1.063 39 M CA 1.177 56.217 55.300 -0.433 0.000 1.110 39 M CB -1.281 31.083 32.600 -0.394 0.000 1.374 39 M HN 0.239 nan 8.290 nan 0.000 0.411 40 C N 0.381 119.355 119.300 -0.543 0.000 2.413 40 C HA -0.167 4.278 4.460 -0.025 0.000 0.276 40 C C 2.840 177.673 174.990 -0.261 0.000 1.248 40 C CA 0.999 59.711 59.018 -0.509 0.000 1.742 40 C CB -0.991 26.470 27.740 -0.464 0.000 2.017 40 C HN 0.567 nan 8.230 nan 0.000 0.481 41 K N 0.798 121.066 120.400 -0.220 0.000 2.057 41 K HA -0.162 4.144 4.320 -0.025 0.000 0.207 41 K C 1.971 178.498 176.600 -0.122 0.000 1.049 41 K CA 1.369 57.581 56.287 -0.126 0.000 0.931 41 K CB -0.131 32.274 32.500 -0.158 0.000 0.714 41 K HN 0.394 nan 8.250 nan 0.000 0.440 42 E N 0.251 120.349 120.200 -0.170 0.000 2.153 42 E HA -0.139 4.196 4.350 -0.025 0.000 0.194 42 E C 1.990 178.592 176.600 0.002 0.000 0.988 42 E CA 1.390 57.777 56.400 -0.021 0.000 0.811 42 E CB -0.400 29.412 29.700 0.186 0.000 0.746 42 E HN 0.386 nan 8.360 nan 0.000 0.466 43 T N -0.703 113.810 114.554 -0.070 0.000 2.684 43 T HA -0.093 4.243 4.350 -0.025 0.000 0.267 43 T C 1.552 176.248 174.700 -0.006 0.000 1.036 43 T CA 2.035 64.099 62.100 -0.060 0.000 1.148 43 T CB -0.276 68.526 68.868 -0.111 0.000 0.863 43 T HN 0.487 nan 8.240 nan 0.000 0.436 44 G N 0.183 108.985 108.800 0.004 0.000 2.232 44 G HA2 -0.270 3.675 3.960 -0.025 0.000 0.226 44 G HA3 -0.270 3.675 3.960 -0.025 0.000 0.226 44 G C 0.797 175.733 174.900 0.061 0.000 0.996 44 G CA 0.443 45.562 45.100 0.030 0.000 0.626 44 G HN 0.521 nan 8.290 nan 0.000 0.509 45 Q N 0.692 120.551 119.800 0.099 0.000 2.444 45 Q HA 0.191 4.516 4.340 -0.025 0.000 0.206 45 Q C 2.230 178.387 176.000 0.261 0.000 0.948 45 Q CA 0.896 56.805 55.803 0.177 0.000 0.946 45 Q CB -0.076 28.810 28.738 0.247 0.000 1.027 45 Q HN 0.886 nan 8.270 nan 0.000 0.513 46 E N 0.557 120.875 120.200 0.198 0.000 2.187 46 E HA -0.291 4.044 4.350 -0.025 0.000 0.199 46 E C 1.759 178.488 176.600 0.214 0.000 1.004 46 E CA 1.281 57.809 56.400 0.213 0.000 0.813 46 E CB -0.294 29.465 29.700 0.097 0.000 0.736 46 E HN 0.321 nan 8.360 nan 0.000 0.468 47 A N 1.552 124.457 122.820 0.142 0.000 1.940 47 A HA -0.266 4.040 4.320 -0.025 0.000 0.219 47 A C 2.018 179.657 177.584 0.092 0.000 1.176 47 A CA 1.808 53.908 52.037 0.105 0.000 0.631 47 A CB -0.484 18.558 19.000 0.071 0.000 0.814 47 A HN 0.407 nan 8.150 nan 0.000 0.446 48 E N -1.378 118.862 120.200 0.067 0.000 2.031 48 E HA -0.200 4.135 4.350 -0.025 0.000 0.193 48 E C 1.898 178.454 176.600 -0.074 0.000 0.994 48 E CA 1.641 58.009 56.400 -0.053 0.000 0.800 48 E CB -0.342 29.241 29.700 -0.195 0.000 0.752 48 E HN 0.814 nan 8.360 nan 0.000 0.447 49 Y N 0.716 121.059 120.300 0.071 0.000 2.153 49 Y HA -0.031 4.504 4.550 -0.025 0.000 0.289 49 Y C 1.355 177.332 175.900 0.128 0.000 1.127 49 Y CA 0.574 58.739 58.100 0.109 0.000 1.131 49 Y CB -0.048 38.475 38.460 0.106 0.000 0.995 49 Y HN -0.090 nan 8.280 nan 0.000 0.505 50 L N 1.279 122.675 121.223 0.289 0.000 2.352 50 L HA 0.368 4.693 4.340 -0.025 0.000 0.269 50 L C -2.240 174.729 176.870 0.165 0.000 1.034 50 L CA -2.329 52.641 54.840 0.215 0.000 0.806 50 L CB 1.254 43.435 42.059 0.203 0.000 1.244 50 L HN -0.131 nan 8.230 nan 0.000 0.447 51 P HA 0.107 nan 4.420 nan 0.000 0.276 51 P C -1.015 176.396 177.300 0.184 0.000 1.244 51 P CA -0.489 62.710 63.100 0.164 0.000 0.801 51 P CB 0.794 32.603 31.700 0.181 0.000 1.006 52 E N -0.174 120.116 120.200 0.149 0.000 2.366 52 E HA 0.330 4.665 4.350 -0.025 0.000 0.266 52 E C 0.982 177.640 176.600 0.097 0.000 1.051 52 E CA 0.357 56.821 56.400 0.106 0.000 0.884 52 E CB -0.214 29.526 29.700 0.067 0.000 1.006 52 E HN 0.748 nan 8.360 nan 0.000 0.417 53 G N 3.077 111.869 108.800 -0.014 0.000 2.299 53 G HA2 -0.286 3.659 3.960 -0.025 0.000 0.237 53 G HA3 -0.286 3.659 3.960 -0.025 0.000 0.237 53 G C -0.396 174.245 174.900 -0.432 0.000 1.027 53 G CA 0.326 45.289 45.100 -0.229 0.000 0.619 53 G HN 0.520 nan 8.290 nan 0.000 0.513 54 Y N 1.885 122.195 120.300 0.017 0.000 2.555 54 Y HA 0.685 5.220 4.550 -0.025 0.000 0.326 54 Y C 0.732 176.684 175.900 0.086 0.000 0.984 54 Y CA -0.375 57.755 58.100 0.050 0.000 1.298 54 Y CB 0.880 39.275 38.460 -0.109 0.000 1.094 54 Y HN 0.659 nan 8.280 nan 0.000 0.500 55 R N -0.218 120.412 120.500 0.217 0.000 2.870 55 R HA 0.308 4.634 4.340 -0.025 0.000 0.262 55 R C 0.372 176.813 176.300 0.235 0.000 1.112 55 R CA -0.956 55.272 56.100 0.213 0.000 0.976 55 R CB 0.563 30.963 30.300 0.167 0.000 1.261 55 R HN 0.531 nan 8.270 nan 0.000 0.453 56 W N 1.014 122.355 121.300 0.069 0.000 2.355 56 W HA -0.149 4.496 4.660 -0.026 0.000 0.309 56 W C 0.311 176.846 176.519 0.028 0.000 1.206 56 W CA 2.250 59.628 57.345 0.055 0.000 1.284 56 W CB -0.185 29.281 29.460 0.010 0.000 1.145 56 W HN 0.652 nan 8.180 nan 0.000 0.502 57 D N 0.554 121.020 120.400 0.110 0.000 2.144 57 D HA -0.183 4.442 4.640 -0.025 0.000 0.199 57 D C 1.684 177.881 176.300 -0.172 0.000 0.984 57 D CA 1.654 55.630 54.000 -0.038 0.000 0.834 57 D CB -0.692 40.122 40.800 0.024 0.000 0.955 57 D HN 0.158 nan 8.370 nan 0.000 0.465 58 D N 0.129 120.444 120.400 -0.142 0.000 2.104 58 D HA -0.137 4.488 4.640 -0.025 0.000 0.194 58 D C 2.188 178.177 176.300 -0.518 0.000 0.994 58 D CA 0.498 54.308 54.000 -0.317 0.000 0.830 58 D CB -0.250 40.436 40.800 -0.190 0.000 0.959 58 D HN 0.161 nan 8.370 nan 0.000 0.452 59 L N 1.347 122.433 121.223 -0.228 0.000 2.056 59 L HA -0.109 4.216 4.340 -0.025 0.000 0.207 59 L C 2.190 178.862 176.870 -0.331 0.000 1.078 59 L CA 1.706 56.462 54.840 -0.140 0.000 0.749 59 L CB -0.453 41.645 42.059 0.066 0.000 0.901 59 L HN -0.142 nan 8.230 nan 0.000 0.433 60 K N -0.653 119.442 120.400 -0.508 0.000 2.032 60 K HA -0.193 4.112 4.320 -0.025 0.000 0.209 60 K C 2.153 178.573 176.600 -0.301 0.000 1.048 60 K CA 1.816 57.791 56.287 -0.519 0.000 0.927 60 K CB -0.262 31.881 32.500 -0.595 0.000 0.712 60 K HN 0.586 nan 8.250 nan 0.000 0.441 61 S N 0.445 115.982 115.700 -0.271 0.000 2.382 61 S HA -0.099 4.356 4.470 -0.025 0.000 0.228 61 S C 0.941 175.419 174.600 -0.203 0.000 1.027 61 S CA 0.239 58.315 58.200 -0.206 0.000 0.991 61 S CB -0.358 62.722 63.200 -0.200 0.000 0.823 61 S HN 0.257 nan 8.310 nan 0.000 0.469 62 R N 0.595 120.941 120.500 -0.257 0.000 2.679 62 R HA 0.649 4.974 4.340 -0.025 0.000 0.269 62 R C -0.285 175.934 176.300 -0.135 0.000 1.076 62 R CA 0.027 56.001 56.100 -0.209 0.000 1.160 62 R CB 0.461 30.610 30.300 -0.253 0.000 1.054 62 R HN 0.433 nan 8.270 nan 0.000 0.507 63 I N -0.467 120.047 120.570 -0.093 0.000 2.994 63 I HA 0.466 4.621 4.170 -0.025 0.000 0.306 63 I C 0.125 176.218 176.117 -0.042 0.000 1.195 63 I CA 0.122 61.382 61.300 -0.067 0.000 1.001 63 I CB 2.001 39.963 38.000 -0.063 0.000 1.244 63 I HN 0.795 nan 8.210 nan 0.000 0.437 64 G N 4.306 113.086 108.800 -0.033 0.000 2.562 64 G HA2 -0.240 3.705 3.960 -0.025 0.000 0.250 64 G HA3 -0.240 3.705 3.960 -0.025 0.000 0.250 64 G C 0.376 175.273 174.900 -0.004 0.000 1.269 64 G CA 0.327 45.415 45.100 -0.020 0.000 0.919 64 G HN 0.632 nan 8.290 nan 0.000 0.574 65 Q N -0.182 119.620 119.800 0.003 0.000 2.124 65 Q HA -0.090 4.235 4.340 -0.025 0.000 0.202 65 Q C 2.518 178.540 176.000 0.036 0.000 0.977 65 Q CA 2.038 57.852 55.803 0.019 0.000 0.850 65 Q CB -0.291 28.456 28.738 0.015 0.000 0.901 65 Q HN 0.795 nan 8.270 nan 0.000 0.429 66 E N 0.655 120.869 120.200 0.023 0.000 2.085 66 E HA -0.243 4.093 4.350 -0.025 0.000 0.194 66 E C 2.011 178.651 176.600 0.067 0.000 0.994 66 E CA 1.179 57.598 56.400 0.033 0.000 0.801 66 E CB 0.089 29.788 29.700 -0.003 0.000 0.743 66 E HN 0.338 nan 8.360 nan 0.000 0.453 67 Q N 0.379 120.203 119.800 0.041 0.000 2.079 67 Q HA -0.149 4.176 4.340 -0.025 0.000 0.200 67 Q C 2.393 178.492 176.000 0.166 0.000 0.974 67 Q CA 1.072 56.917 55.803 0.071 0.000 0.840 67 Q CB -0.085 28.651 28.738 -0.003 0.000 0.898 67 Q HN 0.412 nan 8.270 nan 0.000 0.430 68 L N 0.376 121.663 121.223 0.107 0.000 2.046 68 L HA -0.244 4.082 4.340 -0.025 0.000 0.208 68 L C 2.274 179.250 176.870 0.176 0.000 1.077 68 L CA 1.501 56.415 54.840 0.123 0.000 0.747 68 L CB -0.125 41.970 42.059 0.060 0.000 0.896 68 L HN 0.362 nan 8.230 nan 0.000 0.432 69 Q N -1.030 118.853 119.800 0.139 0.000 2.124 69 Q HA -0.255 4.070 4.340 -0.025 0.000 0.202 69 Q C 2.031 178.110 176.000 0.132 0.000 0.977 69 Q CA 1.933 57.805 55.803 0.116 0.000 0.850 69 Q CB -0.259 28.532 28.738 0.089 0.000 0.901 69 Q HN 0.526 nan 8.270 nan 0.000 0.429 70 F N 0.179 120.160 119.950 0.052 0.000 2.134 70 F HA -0.278 4.234 4.527 -0.025 0.000 0.299 70 F C 2.107 177.950 175.800 0.071 0.000 1.097 70 F CA 1.354 59.376 58.000 0.037 0.000 1.264 70 F CB -0.328 38.672 39.000 0.001 0.000 1.001 70 F HN 0.067 nan 8.300 nan 0.000 0.479 71 Y N 1.253 121.584 120.300 0.053 0.000 2.181 71 Y HA -0.198 4.337 4.550 -0.025 0.000 0.288 71 Y C 2.565 178.411 175.900 -0.089 0.000 1.146 71 Y CA 1.999 60.087 58.100 -0.019 0.000 1.164 71 Y CB -0.517 37.977 38.460 0.058 0.000 0.982 71 Y HN -0.030 nan 8.280 nan 0.000 0.515 72 R N 0.199 120.695 120.500 -0.008 0.000 2.073 72 R HA -0.187 4.139 4.340 -0.025 0.000 0.234 72 R C 2.404 178.587 176.300 -0.195 0.000 1.134 72 R CA 1.817 57.867 56.100 -0.084 0.000 0.952 72 R CB -0.355 29.956 30.300 0.019 0.000 0.850 72 R HN 0.283 nan 8.270 nan 0.000 0.433 73 K N 0.904 121.186 120.400 -0.196 0.000 2.063 73 K HA -0.168 4.137 4.320 -0.025 0.000 0.208 73 K C 2.158 178.604 176.600 -0.256 0.000 1.048 73 K CA 1.522 57.699 56.287 -0.183 0.000 0.928 73 K CB -0.063 32.341 32.500 -0.160 0.000 0.713 73 K HN 0.098 nan 8.250 nan 0.000 0.442 74 M N 0.776 120.094 119.600 -0.471 0.000 2.117 74 M HA -0.164 4.301 4.480 -0.025 0.000 0.262 74 M C 1.756 177.824 176.300 -0.387 0.000 1.065 74 M CA 1.422 56.482 55.300 -0.400 0.000 1.114 74 M CB -0.012 32.288 32.600 -0.501 0.000 1.361 74 M HN 0.200 nan 8.290 nan 0.000 0.408 75 L N -0.655 120.308 121.223 -0.434 0.000 2.017 75 L HA -0.204 4.121 4.340 -0.025 0.000 0.208 75 L C 2.359 179.120 176.870 -0.182 0.000 1.073 75 L CA 1.005 55.664 54.840 -0.302 0.000 0.745 75 L CB -0.862 41.035 42.059 -0.269 0.000 0.894 75 L HN 0.192 nan 8.230 nan 0.000 0.432 76 V N -0.744 119.068 119.914 -0.169 0.000 2.343 76 V HA -0.324 3.781 4.120 -0.025 0.000 0.247 76 V C 2.414 178.412 176.094 -0.160 0.000 1.051 76 V CA 2.049 64.273 62.300 -0.127 0.000 1.036 76 V CB -0.715 31.049 31.823 -0.099 0.000 0.654 76 V HN 0.479 nan 8.190 nan 0.000 0.451 77 H N -0.181 118.690 119.070 -0.331 0.000 2.353 77 H HA -0.105 4.436 4.556 -0.025 0.000 0.300 77 H C 2.103 177.195 175.328 -0.394 0.000 1.090 77 H CA 1.898 57.678 56.048 -0.447 0.000 1.327 77 H CB -0.094 29.105 29.762 -0.938 0.000 1.383 77 H HN 0.300 nan 8.280 nan 0.000 0.508 78 L N -0.918 120.132 121.223 -0.289 0.000 2.046 78 L HA -0.088 4.237 4.340 -0.025 0.000 0.208 78 L C 2.815 179.624 176.870 -0.102 0.000 1.077 78 L CA 1.093 55.757 54.840 -0.293 0.000 0.747 78 L CB -0.772 40.849 42.059 -0.731 0.000 0.896 78 L HN 0.470 nan 8.230 nan 0.000 0.432 79 G N -0.400 108.387 108.800 -0.023 0.000 2.432 79 G HA2 -0.157 3.788 3.960 -0.025 0.000 0.219 79 G HA3 -0.157 3.788 3.960 -0.025 0.000 0.219 79 G C 0.515 175.423 174.900 0.013 0.000 1.135 79 G CA 0.279 45.423 45.100 0.074 0.000 0.767 79 G HN 0.382 nan 8.290 nan 0.000 0.550 80 E N 1.067 121.212 120.200 -0.093 0.000 2.129 80 E HA 0.487 4.822 4.350 -0.025 0.000 0.268 80 E C -1.386 175.117 176.600 -0.162 0.000 0.900 80 E CA -0.535 55.805 56.400 -0.099 0.000 0.755 80 E CB 1.407 31.036 29.700 -0.118 0.000 1.117 80 E HN 0.514 nan 8.360 nan 0.000 0.410 81 D N 0.633 120.976 120.400 -0.096 0.000 2.926 81 D HA -0.047 4.578 4.640 -0.025 0.000 0.272 81 D C -0.059 176.212 176.300 -0.049 0.000 1.172 81 D CA -0.654 53.285 54.000 -0.102 0.000 0.731 81 D CB 0.188 40.912 40.800 -0.127 0.000 1.282 81 D HN 0.192 nan 8.370 nan 0.000 0.430 82 D N -0.543 119.832 120.400 -0.042 0.000 2.178 82 D HA -0.084 4.541 4.640 -0.025 0.000 0.201 82 D C 0.006 176.299 176.300 -0.013 0.000 0.980 82 D CA 1.017 55.001 54.000 -0.026 0.000 0.842 82 D CB 0.101 40.889 40.800 -0.021 0.000 0.948 82 D HN 0.241 nan 8.370 nan 0.000 0.472 83 K N 1.261 121.659 120.400 -0.003 0.000 2.095 83 K HA 0.053 4.358 4.320 -0.025 0.000 0.258 83 K C 1.106 177.724 176.600 0.029 0.000 1.120 83 K CA 0.000 56.298 56.287 0.018 0.000 1.026 83 K CB 0.433 32.954 32.500 0.035 0.000 1.256 83 K HN -0.055 nan 8.250 nan 0.000 0.360 84 K N 1.456 121.867 120.400 0.018 0.000 2.211 84 K HA -0.050 4.255 4.320 -0.025 0.000 0.203 84 K C 1.525 178.150 176.600 0.041 0.000 1.050 84 K CA 0.900 57.197 56.287 0.017 0.000 0.945 84 K CB -0.161 32.333 32.500 -0.010 0.000 0.732 84 K HN 0.439 nan 8.250 nan 0.000 0.451 85 L N 0.384 121.641 121.223 0.057 0.000 1.970 85 L HA -0.217 4.108 4.340 -0.025 0.000 0.212 85 L C 2.336 179.266 176.870 0.101 0.000 1.071 85 L CA 1.247 56.135 54.840 0.080 0.000 0.751 85 L CB -0.559 41.561 42.059 0.102 0.000 0.889 85 L HN -0.107 nan 8.230 nan 0.000 0.432 86 V N -0.156 119.844 119.914 0.143 0.000 2.453 86 V HA -0.256 3.849 4.120 -0.025 0.000 0.247 86 V C 2.417 178.645 176.094 0.223 0.000 1.048 86 V CA 1.751 64.178 62.300 0.210 0.000 1.049 86 V CB -0.694 31.285 31.823 0.260 0.000 0.672 86 V HN 0.616 nan 8.190 nan 0.000 0.457 87 Q N 1.809 121.697 119.800 0.147 0.000 2.170 87 Q HA -0.106 4.219 4.340 -0.025 0.000 0.203 87 Q C 1.993 178.078 176.000 0.141 0.000 0.976 87 Q CA 2.228 58.119 55.803 0.147 0.000 0.858 87 Q CB -0.720 28.062 28.738 0.074 0.000 0.907 87 Q HN 0.460 nan 8.270 nan 0.000 0.433 88 A N 0.839 123.700 122.820 0.068 0.000 1.902 88 A HA -0.118 4.187 4.320 -0.025 0.000 0.217 88 A C 2.359 179.931 177.584 -0.019 0.000 1.181 88 A CA 1.661 53.711 52.037 0.022 0.000 0.623 88 A CB -0.939 18.054 19.000 -0.011 0.000 0.818 88 A HN 0.276 nan 8.150 nan 0.000 0.443 89 V N -1.371 118.469 119.914 -0.124 0.000 2.295 89 V HA -0.246 3.859 4.120 -0.025 0.000 0.246 89 V C 2.223 177.984 176.094 -0.555 0.000 1.049 89 V CA 2.058 64.114 62.300 -0.407 0.000 1.024 89 V CB -1.011 30.382 31.823 -0.716 0.000 0.648 89 V HN 0.568 nan 8.190 nan 0.000 0.447 90 F N -1.409 118.503 119.950 -0.063 0.000 2.661 90 F HA 0.076 4.588 4.527 -0.024 0.000 0.298 90 F C 1.436 177.228 175.800 -0.012 0.000 1.137 90 F CA 0.249 58.221 58.000 -0.047 0.000 1.454 90 F CB -0.561 38.403 39.000 -0.060 0.000 1.103 90 F HN 0.192 nan 8.300 nan 0.000 0.577 91 H N 2.163 121.244 119.070 0.018 0.000 3.034 91 H HA -0.076 4.465 4.556 -0.025 0.000 0.324 91 H C 0.435 175.759 175.328 -0.006 0.000 1.015 91 H CA 0.503 56.556 56.048 0.008 0.000 1.429 91 H CB -0.100 29.659 29.762 -0.004 0.000 1.429 91 H HN 0.340 nan 8.280 nan 0.000 0.585 92 N N 2.147 120.530 118.700 -0.528 0.000 2.705 92 N HA -0.223 4.502 4.740 -0.025 0.000 0.255 92 N C -0.501 174.927 175.510 -0.136 0.000 1.008 92 N CA 0.422 53.249 53.050 -0.372 0.000 0.742 92 N CB -0.719 37.535 38.487 -0.388 0.000 0.906 92 N HN 0.403 nan 8.380 nan 0.000 0.541 93 V N -1.786 118.086 119.914 -0.069 0.000 2.581 93 V HA 0.936 5.041 4.120 -0.025 0.000 0.303 93 V C 0.322 176.423 176.094 0.013 0.000 1.041 93 V CA -0.313 61.983 62.300 -0.007 0.000 0.907 93 V CB 2.153 34.008 31.823 0.054 0.000 0.994 93 V HN 0.279 nan 8.190 nan 0.000 0.442 94 S N 1.424 117.151 115.700 0.044 0.000 2.552 94 S HA 0.570 5.025 4.470 -0.025 0.000 0.272 94 S C -0.613 174.064 174.600 0.128 0.000 1.150 94 S CA -0.322 57.917 58.200 0.066 0.000 0.849 94 S CB 1.500 64.718 63.200 0.030 0.000 1.113 94 S HN 1.337 nan 8.310 nan 0.000 0.458 95 T N 1.012 115.689 114.554 0.205 0.000 2.837 95 T HA 0.506 4.841 4.350 -0.025 0.000 0.285 95 T C 1.496 176.257 174.700 0.101 0.000 0.984 95 T CA 0.250 62.478 62.100 0.213 0.000 1.049 95 T CB 0.823 69.890 68.868 0.332 0.000 0.947 95 T HN 1.009 nan 8.240 nan 0.000 0.472 96 T N 2.784 117.367 114.554 0.049 0.000 3.085 96 T HA 0.198 4.533 4.350 -0.025 0.000 0.263 96 T C 0.988 175.686 174.700 -0.003 0.000 1.127 96 T CA 0.202 62.308 62.100 0.010 0.000 1.103 96 T CB -0.508 68.346 68.868 -0.023 0.000 0.921 96 T HN 0.622 nan 8.240 nan 0.000 0.510 97 I N 3.044 123.611 120.570 -0.005 0.000 2.578 97 I HA 0.059 4.214 4.170 -0.025 0.000 0.286 97 I C 1.399 177.510 176.117 -0.010 0.000 1.126 97 I CA -0.175 61.110 61.300 -0.025 0.000 1.380 97 I CB 0.784 38.748 38.000 -0.060 0.000 1.408 97 I HN 0.159 nan 8.210 nan 0.000 0.532 98 T N 4.031 118.578 114.554 -0.013 0.000 2.894 98 T HA -0.017 4.318 4.350 -0.025 0.000 0.258 98 T C 0.622 175.317 174.700 -0.009 0.000 1.043 98 T CA 0.690 62.787 62.100 -0.005 0.000 1.141 98 T CB -0.060 68.804 68.868 -0.006 0.000 0.873 98 T HN 0.539 nan 8.240 nan 0.000 0.449 99 E N 2.450 122.639 120.200 -0.019 0.000 2.152 99 E HA 0.100 4.435 4.350 -0.025 0.000 0.285 99 E C -1.634 174.951 176.600 -0.025 0.000 1.043 99 E CA -2.022 54.366 56.400 -0.020 0.000 0.839 99 E CB 1.323 31.009 29.700 -0.024 0.000 1.069 99 E HN 0.189 nan 8.360 nan 0.000 0.399 100 P HA -0.200 nan 4.420 nan 0.000 0.216 100 P C 0.731 178.013 177.300 -0.029 0.000 1.150 100 P CA 1.301 64.390 63.100 -0.019 0.000 0.837 100 P CB 0.337 32.032 31.700 -0.009 0.000 0.786 101 K N -0.533 119.850 120.400 -0.028 0.000 2.097 101 K HA -0.115 4.191 4.320 -0.025 0.000 0.205 101 K C 2.451 179.026 176.600 -0.042 0.000 1.050 101 K CA 1.033 57.300 56.287 -0.033 0.000 0.938 101 K CB -0.226 32.258 32.500 -0.028 0.000 0.718 101 K HN 0.110 nan 8.250 nan 0.000 0.442 102 Q N 0.743 120.516 119.800 -0.045 0.000 2.084 102 Q HA -0.133 4.192 4.340 -0.025 0.000 0.202 102 Q C 2.186 178.147 176.000 -0.067 0.000 0.978 102 Q CA 1.143 56.913 55.803 -0.055 0.000 0.844 102 Q CB -0.281 28.425 28.738 -0.054 0.000 0.898 102 Q HN 0.412 nan 8.270 nan 0.000 0.426 103 I N 0.667 121.193 120.570 -0.074 0.000 2.226 103 I HA -0.276 3.879 4.170 -0.025 0.000 0.245 103 I C 1.706 177.767 176.117 -0.093 0.000 1.100 103 I CA 1.308 62.547 61.300 -0.103 0.000 1.374 103 I CB -0.031 37.901 38.000 -0.114 0.000 1.057 103 I HN 0.153 nan 8.210 nan 0.000 0.413 104 T N 1.119 115.630 114.554 -0.072 0.000 2.746 104 T HA -0.142 4.193 4.350 -0.025 0.000 0.267 104 T C 1.933 176.593 174.700 -0.066 0.000 1.039 104 T CA 1.401 63.459 62.100 -0.071 0.000 1.142 104 T CB -0.432 68.401 68.868 -0.057 0.000 0.866 104 T HN 0.560 nan 8.240 nan 0.000 0.444 105 A N 1.108 123.893 122.820 -0.058 0.000 1.902 105 A HA 0.038 4.343 4.320 -0.025 0.000 0.217 105 A C 2.299 179.853 177.584 -0.050 0.000 1.181 105 A CA 1.168 53.175 52.037 -0.051 0.000 0.623 105 A CB -0.856 18.113 19.000 -0.051 0.000 0.818 105 A HN 0.489 nan 8.150 nan 0.000 0.443 106 L N -0.183 121.004 121.223 -0.059 0.000 2.027 106 L HA -0.133 4.192 4.340 -0.025 0.000 0.206 106 L C 2.422 179.276 176.870 -0.027 0.000 1.074 106 L CA 1.467 56.278 54.840 -0.049 0.000 0.745 106 L CB -0.230 41.792 42.059 -0.062 0.000 0.898 106 L HN 0.248 nan 8.230 nan 0.000 0.433 107 V N 0.037 119.916 119.914 -0.058 0.000 2.295 107 V HA -0.285 3.820 4.120 -0.025 0.000 0.246 107 V C 2.789 178.878 176.094 -0.009 0.000 1.049 107 V CA 1.928 64.188 62.300 -0.067 0.000 1.024 107 V CB -0.794 30.920 31.823 -0.181 0.000 0.648 107 V HN 0.719 nan 8.190 nan 0.000 0.447 108 S N 0.273 115.956 115.700 -0.029 0.000 2.382 108 S HA -0.226 4.229 4.470 -0.025 0.000 0.228 108 S C 1.853 176.469 174.600 0.026 0.000 1.027 108 S CA 1.571 59.769 58.200 -0.002 0.000 0.991 108 S CB -0.669 62.517 63.200 -0.023 0.000 0.823 108 S HN 0.616 nan 8.310 nan 0.000 0.469 109 N N 2.551 121.258 118.700 0.010 0.000 2.058 109 N HA -0.091 4.635 4.740 -0.025 0.000 0.191 109 N C 2.055 177.583 175.510 0.031 0.000 1.037 109 N CA 2.038 55.093 53.050 0.008 0.000 0.848 109 N CB -0.484 37.995 38.487 -0.013 0.000 1.021 109 N HN 0.776 nan 8.380 nan 0.000 0.422 110 M N -0.154 119.486 119.600 0.065 0.000 2.229 110 M HA -0.033 4.432 4.480 -0.025 0.000 0.264 110 M C 1.566 177.924 176.300 0.096 0.000 1.063 110 M CA 1.618 56.967 55.300 0.082 0.000 1.114 110 M CB -0.380 32.298 32.600 0.130 0.000 1.387 110 M HN -0.208 nan 8.290 nan 0.000 0.420 111 D N 1.681 122.206 120.400 0.208 0.000 2.123 111 D HA -0.165 4.460 4.640 -0.025 0.000 0.196 111 D C 2.071 178.415 176.300 0.074 0.000 0.992 111 D CA 2.177 56.345 54.000 0.280 0.000 0.833 111 D CB -0.048 40.947 40.800 0.324 0.000 0.954 111 D HN 0.613 nan 8.370 nan 0.000 0.455 112 S N 0.002 115.727 115.700 0.041 0.000 2.561 112 S HA -0.030 4.425 4.470 -0.025 0.000 0.225 112 S C 1.259 175.837 174.600 -0.036 0.000 0.977 112 S CA -0.307 57.894 58.200 0.001 0.000 0.926 112 S CB -0.998 62.205 63.200 0.005 0.000 0.769 112 S HN 0.469 nan 8.310 nan 0.000 0.533 113 L N 0.585 121.775 121.223 -0.055 0.000 2.452 113 L HA 0.525 4.850 4.340 -0.025 0.000 0.267 113 L C -0.056 176.732 176.870 -0.136 0.000 1.188 113 L CA -0.594 54.206 54.840 -0.067 0.000 0.821 113 L CB 0.325 42.361 42.059 -0.038 0.000 1.102 113 L HN 0.016 nan 8.230 nan 0.000 0.470 114 D N 1.284 121.650 120.400 -0.056 0.000 2.432 114 D HA 0.239 4.864 4.640 -0.025 0.000 0.258 114 D C -0.123 176.172 176.300 -0.008 0.000 1.146 114 D CA -0.364 53.608 54.000 -0.046 0.000 1.015 114 D CB 0.775 41.654 40.800 0.132 0.000 1.107 114 D HN 0.636 nan 8.370 nan 0.000 0.529 115 W N 0.991 122.420 121.300 0.215 0.000 3.310 115 W HA 0.062 4.708 4.660 -0.025 0.000 0.259 115 W C 1.051 177.654 176.519 0.140 0.000 1.324 115 W CA -0.531 56.975 57.345 0.268 0.000 1.636 115 W CB -0.383 29.164 29.460 0.146 0.000 1.104 115 W HN 0.546 nan 8.180 nan 0.000 0.722 116 Y N 1.879 122.277 120.300 0.164 0.000 2.062 116 Y HA -0.332 4.203 4.550 -0.025 0.000 0.273 116 Y C 0.634 176.537 175.900 0.005 0.000 1.206 116 Y CA 1.839 59.977 58.100 0.064 0.000 1.125 116 Y CB -0.391 38.083 38.460 0.024 0.000 0.951 116 Y HN -0.232 nan 8.280 nan 0.000 0.501 117 N N 1.065 119.800 118.700 0.059 0.000 2.469 117 N HA 0.434 5.159 4.740 -0.025 0.000 0.239 117 N C -0.276 175.129 175.510 -0.176 0.000 1.053 117 N CA 0.567 53.538 53.050 -0.131 0.000 0.937 117 N CB 1.217 39.629 38.487 -0.125 0.000 1.163 117 N HN 0.514 nan 8.380 nan 0.000 0.509 118 G N -0.233 108.502 108.800 -0.107 0.000 2.731 118 G HA2 0.871 4.816 3.960 -0.025 0.000 0.309 118 G HA3 0.871 4.816 3.960 -0.025 0.000 0.309 118 G C -1.622 173.217 174.900 -0.101 0.000 1.273 118 G CA -0.159 44.915 45.100 -0.043 0.000 0.798 118 G HN 0.642 nan 8.290 nan 0.000 0.509 119 A N -1.883 120.867 122.820 -0.116 0.000 2.506 119 A HA 0.715 5.020 4.320 -0.025 0.000 0.305 119 A C -1.039 176.434 177.584 -0.184 0.000 1.166 119 A CA -0.744 51.203 52.037 -0.149 0.000 0.638 119 A CB 0.159 19.122 19.000 -0.061 0.000 1.336 119 A HN 0.766 nan 8.150 nan 0.000 0.493 120 H N 0.497 119.524 119.070 -0.072 0.000 2.964 120 H HA 0.398 4.940 4.556 -0.025 0.000 0.328 120 H C 1.050 176.318 175.328 -0.100 0.000 1.030 120 H CA 1.928 57.929 56.048 -0.078 0.000 1.445 120 H CB 0.143 29.870 29.762 -0.059 0.000 1.449 120 H HN 1.759 nan 8.280 nan 0.000 0.581 121 G N 2.286 111.064 108.800 -0.037 0.000 2.746 121 G HA2 -0.218 3.727 3.960 -0.025 0.000 0.685 121 G HA3 -0.218 3.727 3.960 -0.025 0.000 0.685 121 G C -0.376 174.391 174.900 -0.222 0.000 1.350 121 G CA -0.481 44.555 45.100 -0.106 0.000 0.837 121 G HN 0.706 nan 8.290 nan 0.000 0.564 122 K N -0.088 120.132 120.400 -0.299 0.000 2.350 122 K HA 0.446 4.751 4.320 -0.025 0.000 0.279 122 K C 0.271 176.731 176.600 -0.233 0.000 1.027 122 K CA 0.249 56.249 56.287 -0.478 0.000 0.969 122 K CB 0.135 32.330 32.500 -0.507 0.000 0.954 122 K HN 0.395 nan 8.250 nan 0.000 0.474 123 S N 4.572 120.199 115.700 -0.121 0.000 3.158 123 S HA 0.192 4.647 4.470 -0.025 0.000 0.215 123 S C 0.698 175.473 174.600 0.291 0.000 1.359 123 S CA -0.610 57.623 58.200 0.056 0.000 0.974 123 S CB 0.406 63.626 63.200 0.034 0.000 1.336 123 S HN 0.594 nan 8.310 nan 0.000 0.488 124 R N 1.698 122.302 120.500 0.173 0.000 2.092 124 R HA -0.101 4.224 4.340 -0.025 0.000 0.231 124 R C 1.866 178.313 176.300 0.246 0.000 1.119 124 R CA 1.596 57.837 56.100 0.235 0.000 0.970 124 R CB -0.274 30.059 30.300 0.056 0.000 0.864 124 R HN 0.585 nan 8.270 nan 0.000 0.440 125 D N 0.997 121.461 120.400 0.108 0.000 2.144 125 D HA -0.193 4.432 4.640 -0.025 0.000 0.199 125 D C 0.984 177.321 176.300 0.063 0.000 0.984 125 D CA 1.203 55.221 54.000 0.029 0.000 0.834 125 D CB -0.387 40.392 40.800 -0.035 0.000 0.955 125 D HN 0.063 nan 8.370 nan 0.000 0.465 126 D N 0.110 120.551 120.400 0.067 0.000 2.117 126 D HA -0.115 4.510 4.640 -0.025 0.000 0.197 126 D C 2.000 178.277 176.300 -0.038 0.000 0.987 126 D CA 0.714 54.692 54.000 -0.036 0.000 0.829 126 D CB -0.674 40.028 40.800 -0.164 0.000 0.961 126 D HN 0.276 nan 8.370 nan 0.000 0.460 127 F N 1.076 121.093 119.950 0.112 0.000 2.102 127 F HA -0.029 4.483 4.527 -0.025 0.000 0.298 127 F C 2.652 178.541 175.800 0.149 0.000 1.105 127 F CA 1.354 59.437 58.000 0.137 0.000 1.239 127 F CB -0.878 38.203 39.000 0.134 0.000 0.991 127 F HN 0.015 nan 8.300 nan 0.000 0.474 128 G N -0.830 108.141 108.800 0.285 0.000 2.418 128 G HA2 -0.293 3.652 3.960 -0.025 0.000 0.217 128 G HA3 -0.293 3.652 3.960 -0.025 0.000 0.217 128 G C 1.410 176.454 174.900 0.240 0.000 1.158 128 G CA 1.174 46.400 45.100 0.210 0.000 0.771 128 G HN 0.301 nan 8.290 nan 0.000 0.545 129 D N 0.154 120.644 120.400 0.150 0.000 2.097 129 D HA -0.091 4.534 4.640 -0.025 0.000 0.195 129 D C 2.386 178.770 176.300 0.139 0.000 0.989 129 D CA 0.915 54.994 54.000 0.131 0.000 0.827 129 D CB -0.224 40.616 40.800 0.067 0.000 0.966 129 D HN 0.191 nan 8.370 nan 0.000 0.456 130 M N -0.726 118.947 119.600 0.122 0.000 2.159 130 M HA -0.133 4.332 4.480 -0.025 0.000 0.263 130 M C 1.894 178.288 176.300 0.156 0.000 1.063 130 M CA 1.132 56.494 55.300 0.103 0.000 1.110 130 M CB -0.695 31.940 32.600 0.060 0.000 1.374 130 M HN 0.167 nan 8.290 nan 0.000 0.411 131 Y N 0.647 121.014 120.300 0.111 0.000 2.145 131 Y HA -0.232 4.305 4.550 -0.022 0.000 0.286 131 Y C 2.069 178.036 175.900 0.111 0.000 1.145 131 Y CA 2.010 60.185 58.100 0.125 0.000 1.148 131 Y CB -0.171 38.373 38.460 0.141 0.000 0.981 131 Y HN 0.239 nan 8.280 nan 0.000 0.507 132 E N -0.217 120.101 120.200 0.197 0.000 2.072 132 E HA -0.139 4.196 4.350 -0.025 0.000 0.191 132 E C 2.435 179.051 176.600 0.028 0.000 0.985 132 E CA 1.085 57.544 56.400 0.098 0.000 0.801 132 E CB -0.812 28.992 29.700 0.174 0.000 0.750 132 E HN 0.638 nan 8.360 nan 0.000 0.452 133 G N 1.536 110.369 108.800 0.055 0.000 2.418 133 G HA2 -0.238 3.707 3.960 -0.025 0.000 0.217 133 G HA3 -0.238 3.707 3.960 -0.025 0.000 0.217 133 G C 1.639 176.553 174.900 0.023 0.000 1.158 133 G CA 0.717 45.845 45.100 0.047 0.000 0.771 133 G HN 0.223 nan 8.290 nan 0.000 0.545 134 L N 0.441 121.663 121.223 -0.003 0.000 2.083 134 L HA 0.139 4.464 4.340 -0.025 0.000 0.209 134 L C 2.528 179.383 176.870 -0.024 0.000 1.083 134 L CA 1.342 56.184 54.840 0.003 0.000 0.752 134 L CB -0.413 41.647 42.059 0.001 0.000 0.899 134 L HN 0.246 nan 8.230 nan 0.000 0.433 135 L N -0.894 120.252 121.223 -0.129 0.000 2.083 135 L HA -0.261 4.064 4.340 -0.025 0.000 0.209 135 L C 2.576 179.454 176.870 0.013 0.000 1.083 135 L CA 1.747 56.519 54.840 -0.114 0.000 0.752 135 L CB -0.279 41.653 42.059 -0.211 0.000 0.899 135 L HN 0.545 nan 8.230 nan 0.000 0.433 136 Q N 0.068 119.897 119.800 0.049 0.000 2.084 136 Q HA -0.273 4.052 4.340 -0.025 0.000 0.202 136 Q C 2.119 178.143 176.000 0.040 0.000 0.978 136 Q CA 1.842 57.720 55.803 0.126 0.000 0.844 136 Q CB 0.045 28.874 28.738 0.151 0.000 0.898 136 Q HN 0.497 nan 8.270 nan 0.000 0.426 137 K N 0.347 120.762 120.400 0.025 0.000 2.057 137 K HA -0.154 4.151 4.320 -0.025 0.000 0.207 137 K C 2.030 178.636 176.600 0.010 0.000 1.049 137 K CA 1.393 57.682 56.287 0.003 0.000 0.931 137 K CB -0.262 32.259 32.500 0.035 0.000 0.714 137 K HN 0.324 nan 8.250 nan 0.000 0.440 138 N N 0.685 119.423 118.700 0.065 0.000 2.120 138 N HA -0.158 4.567 4.740 -0.025 0.000 0.188 138 N C 1.789 177.311 175.510 0.019 0.000 1.024 138 N CA 1.117 54.225 53.050 0.097 0.000 0.852 138 N CB 0.030 38.609 38.487 0.153 0.000 1.003 138 N HN 0.165 nan 8.380 nan 0.000 0.424 139 A N 1.425 124.248 122.820 0.004 0.000 1.902 139 A HA -0.145 4.160 4.320 -0.025 0.000 0.217 139 A C 1.996 179.423 177.584 -0.262 0.000 1.181 139 A CA 1.232 53.250 52.037 -0.032 0.000 0.623 139 A CB -0.511 18.626 19.000 0.228 0.000 0.818 139 A HN 0.397 nan 8.150 nan 0.000 0.443 140 N N 0.185 118.660 118.700 -0.376 0.000 2.188 140 N HA -0.104 4.621 4.740 -0.025 0.000 0.184 140 N C 0.854 176.297 175.510 -0.112 0.000 1.018 140 N CA 0.637 53.421 53.050 -0.444 0.000 0.858 140 N CB -0.313 37.953 38.487 -0.368 0.000 0.989 140 N HN 0.751 nan 8.380 nan 0.000 0.426 141 E N 0.708 120.882 120.200 -0.045 0.000 2.415 141 E HA -0.056 4.279 4.350 -0.025 0.000 0.263 141 E C 0.844 177.520 176.600 0.126 0.000 0.995 141 E CA 0.114 56.520 56.400 0.010 0.000 0.915 141 E CB 0.845 30.538 29.700 -0.013 0.000 0.951 141 E HN 0.004 nan 8.360 nan 0.000 0.449 142 T N 3.890 118.510 114.554 0.110 0.000 2.812 142 T HA -0.081 4.254 4.350 -0.025 0.000 0.264 142 T C 1.462 176.242 174.700 0.134 0.000 1.042 142 T CA 1.042 63.241 62.100 0.165 0.000 1.140 142 T CB 0.103 68.961 68.868 -0.017 0.000 0.870 142 T HN 0.317 nan 8.240 nan 0.000 0.445 143 K N 1.632 122.031 120.400 -0.002 0.000 2.057 143 K HA -0.050 4.255 4.320 -0.025 0.000 0.207 143 K C 2.759 179.339 176.600 -0.033 0.000 1.049 143 K CA 1.628 57.880 56.287 -0.059 0.000 0.931 143 K CB -0.916 31.461 32.500 -0.205 0.000 0.714 143 K HN 0.628 nan 8.250 nan 0.000 0.440 144 S N -0.578 115.096 115.700 -0.044 0.000 2.359 144 S HA -0.107 4.348 4.470 -0.025 0.000 0.224 144 S C 1.767 176.395 174.600 0.047 0.000 1.035 144 S CA 1.730 59.952 58.200 0.036 0.000 1.018 144 S CB -0.604 62.643 63.200 0.078 0.000 0.876 144 S HN 0.458 nan 8.310 nan 0.000 0.448 145 G N 0.644 109.452 108.800 0.014 0.000 2.175 145 G HA2 -0.169 3.776 3.960 -0.025 0.000 0.244 145 G HA3 -0.169 3.776 3.960 -0.025 0.000 0.244 145 G C 0.968 175.746 174.900 -0.202 0.000 0.982 145 G CA 0.491 45.563 45.100 -0.046 0.000 0.641 145 G HN 1.338 nan 8.290 nan 0.000 0.527 146 A N 0.512 123.267 122.820 -0.108 0.000 2.015 146 A HA 0.358 4.663 4.320 -0.025 0.000 0.219 146 A C 2.728 180.272 177.584 -0.067 0.000 1.163 146 A CA 2.071 54.162 52.037 0.090 0.000 0.646 146 A CB -0.854 18.212 19.000 0.110 0.000 0.806 146 A HN 1.645 nan 8.150 nan 0.000 0.448 147 G N -0.802 107.591 108.800 -0.678 0.000 2.479 147 G HA2 -0.240 3.705 3.960 -0.025 0.000 0.220 147 G HA3 -0.240 3.705 3.960 -0.025 0.000 0.220 147 G C 1.426 175.919 174.900 -0.678 0.000 1.115 147 G CA 0.907 45.409 45.100 -0.997 0.000 0.757 147 G HN 0.512 nan 8.290 nan 0.000 0.560 148 Q N 0.076 119.434 119.800 -0.736 0.000 2.112 148 Q HA -0.175 4.150 4.340 -0.025 0.000 0.206 148 Q C 2.264 178.055 176.000 -0.348 0.000 0.987 148 Q CA 1.431 56.947 55.803 -0.479 0.000 0.858 148 Q CB -0.534 27.816 28.738 -0.647 0.000 0.905 148 Q HN 0.736 nan 8.270 nan 0.000 0.420 149 Y N -0.431 119.855 120.300 -0.024 0.000 2.293 149 Y HA -0.088 4.447 4.550 -0.024 0.000 0.291 149 Y C 1.132 177.092 175.900 0.099 0.000 1.137 149 Y CA -0.256 57.869 58.100 0.043 0.000 1.202 149 Y CB -0.630 37.854 38.460 0.039 0.000 0.990 149 Y HN 0.008 nan 8.280 nan 0.000 0.537 150 F N 1.893 121.919 119.950 0.127 0.000 2.629 150 F HA 0.144 4.660 4.527 -0.019 0.000 0.377 150 F C 0.171 176.089 175.800 0.196 0.000 1.101 150 F CA 0.305 58.378 58.000 0.121 0.000 1.301 150 F CB 0.403 39.448 39.000 0.076 0.000 1.062 150 F HN -0.185 nan 8.300 nan 0.000 0.583 151 T N 6.763 120.718 114.554 -0.999 0.000 2.916 151 T HA 0.362 4.697 4.350 -0.025 0.000 0.305 151 T C -2.776 171.201 174.700 -1.204 0.000 1.119 151 T CA -1.265 60.398 62.100 -0.728 0.000 1.008 151 T CB 2.031 70.781 68.868 -0.196 0.000 1.129 151 T HN 0.249 nan 8.240 nan 0.000 0.480 152 P HA 0.290 nan 4.420 nan 0.000 0.271 152 P C 0.640 177.741 177.300 -0.332 0.000 1.216 152 P CA -0.322 62.444 63.100 -0.556 0.000 0.771 152 P CB 0.804 32.230 31.700 -0.456 0.000 0.864 153 R N 5.506 125.891 120.500 -0.190 0.000 2.066 153 R HA -0.070 4.255 4.340 -0.025 0.000 0.232 153 R C -0.825 175.414 176.300 -0.102 0.000 1.131 153 R CA 1.718 57.733 56.100 -0.143 0.000 0.955 153 R CB -1.381 28.883 30.300 -0.061 0.000 0.851 153 R HN 0.421 nan 8.270 nan 0.000 0.432 154 P HA -0.141 nan 4.420 nan 0.000 0.221 154 P C 1.332 178.641 177.300 0.015 0.000 1.150 154 P CA 0.800 63.891 63.100 -0.015 0.000 0.800 154 P CB -0.071 31.611 31.700 -0.029 0.000 0.787 155 L N -0.223 121.011 121.223 0.018 0.000 2.056 155 L HA -0.088 4.237 4.340 -0.025 0.000 0.207 155 L C 2.426 179.296 176.870 0.000 0.000 1.078 155 L CA 1.652 56.513 54.840 0.035 0.000 0.749 155 L CB -1.178 40.862 42.059 -0.030 0.000 0.901 155 L HN -0.200 nan 8.230 nan 0.000 0.433 156 I N -0.561 119.916 120.570 -0.156 0.000 2.226 156 I HA -0.308 3.847 4.170 -0.025 0.000 0.245 156 I C 2.551 178.593 176.117 -0.126 0.000 1.100 156 I CA 1.490 62.599 61.300 -0.318 0.000 1.374 156 I CB -0.457 37.151 38.000 -0.653 0.000 1.057 156 I HN 0.303 nan 8.210 nan 0.000 0.413 157 K N 0.760 121.109 120.400 -0.085 0.000 2.032 157 K HA -0.191 4.114 4.320 -0.025 0.000 0.209 157 K C 2.066 178.689 176.600 0.039 0.000 1.048 157 K CA 2.078 58.352 56.287 -0.023 0.000 0.927 157 K CB -0.109 32.373 32.500 -0.031 0.000 0.712 157 K HN 0.225 nan 8.250 nan 0.000 0.441 158 T N 1.511 116.096 114.554 0.051 0.000 2.746 158 T HA -0.088 4.247 4.350 -0.025 0.000 0.267 158 T C 1.851 176.641 174.700 0.149 0.000 1.039 158 T CA 1.474 63.634 62.100 0.101 0.000 1.142 158 T CB -0.146 68.793 68.868 0.118 0.000 0.866 158 T HN 0.197 nan 8.240 nan 0.000 0.444 159 I N 0.429 121.101 120.570 0.170 0.000 2.179 159 I HA -0.144 4.011 4.170 -0.025 0.000 0.242 159 I C 2.071 178.279 176.117 0.152 0.000 1.088 159 I CA 1.147 62.584 61.300 0.228 0.000 1.357 159 I CB -0.388 37.808 38.000 0.327 0.000 1.051 159 I HN 0.157 nan 8.210 nan 0.000 0.409 160 I N 0.187 120.826 120.570 0.116 0.000 2.286 160 I HA -0.297 3.858 4.170 -0.025 0.000 0.248 160 I C 2.564 178.592 176.117 -0.149 0.000 1.115 160 I CA 1.622 62.930 61.300 0.014 0.000 1.392 160 I CB -0.865 37.151 38.000 0.026 0.000 1.065 160 I HN 0.221 nan 8.210 nan 0.000 0.418 161 H N 0.651 119.628 119.070 -0.155 0.000 2.319 161 H HA -0.134 4.407 4.556 -0.025 0.000 0.299 161 H C 2.108 177.322 175.328 -0.190 0.000 1.092 161 H CA 1.877 57.807 56.048 -0.196 0.000 1.302 161 H CB -0.197 29.531 29.762 -0.057 0.000 1.373 161 H HN 0.228 nan 8.280 nan 0.000 0.497 162 L N -0.342 120.810 121.223 -0.117 0.000 2.056 162 L HA -0.160 4.165 4.340 -0.025 0.000 0.207 162 L C 2.543 179.324 176.870 -0.148 0.000 1.078 162 L CA 0.962 55.679 54.840 -0.205 0.000 0.749 162 L CB -0.412 41.436 42.059 -0.352 0.000 0.901 162 L HN 0.326 nan 8.230 nan 0.000 0.433 163 L N -0.301 120.860 121.223 -0.102 0.000 2.046 163 L HA -0.171 4.154 4.340 -0.025 0.000 0.208 163 L C 0.712 177.486 176.870 -0.160 0.000 1.077 163 L CA 0.786 55.580 54.840 -0.077 0.000 0.747 163 L CB -0.418 41.622 42.059 -0.032 0.000 0.896 163 L HN 0.255 nan 8.230 nan 0.000 0.432 164 K N -0.995 119.196 120.400 -0.348 0.000 3.393 164 K HA -0.128 4.177 4.320 -0.025 0.000 0.272 164 K C -2.259 174.267 176.600 -0.123 0.000 1.004 164 K CA -0.187 55.858 56.287 -0.403 0.000 0.764 164 K CB -1.623 30.772 32.500 -0.176 0.000 1.373 164 K HN 0.281 nan 8.250 nan 0.000 0.458 165 P HA -0.093 nan 4.420 nan 0.000 0.265 165 P C -0.246 177.170 177.300 0.193 0.000 1.187 165 P CA 0.555 63.707 63.100 0.086 0.000 0.766 165 P CB 0.754 32.549 31.700 0.158 0.000 0.820 166 Q N 2.577 122.449 119.800 0.120 0.000 2.333 166 Q HA 0.535 4.860 4.340 -0.025 0.000 0.266 166 Q C -2.216 173.832 176.000 0.080 0.000 1.053 166 Q CA -2.080 53.787 55.803 0.107 0.000 0.890 166 Q CB 0.595 29.358 28.738 0.041 0.000 1.337 166 Q HN 0.375 nan 8.270 nan 0.000 0.474 167 P HA 0.215 nan 4.420 nan 0.000 0.274 167 P C -0.449 176.847 177.300 -0.008 0.000 1.237 167 P CA 0.070 63.207 63.100 0.063 0.000 0.793 167 P CB 0.747 32.485 31.700 0.063 0.000 0.977 168 R N -2.274 118.232 120.500 0.010 0.000 3.922 168 R HA -0.164 4.161 4.340 -0.025 0.000 0.447 168 R C 0.048 176.283 176.300 -0.108 0.000 1.035 168 R CA 1.229 57.148 56.100 -0.302 0.000 1.289 168 R CB -1.486 28.591 30.300 -0.371 0.000 1.906 168 R HN 0.641 nan 8.270 nan 0.000 0.540 169 E N 0.802 121.019 120.200 0.029 0.000 2.277 169 E HA 0.380 4.716 4.350 -0.025 0.000 0.274 169 E C -0.395 176.360 176.600 0.258 0.000 1.022 169 E CA -0.538 55.901 56.400 0.064 0.000 0.853 169 E CB 1.775 31.471 29.700 -0.005 0.000 1.086 169 E HN -0.126 nan 8.360 nan 0.000 0.397 170 V N 2.997 123.195 119.914 0.473 0.000 2.394 170 V HA 0.205 4.310 4.120 -0.025 0.000 0.282 170 V C -0.112 176.054 176.094 0.119 0.000 1.031 170 V CA -0.641 61.790 62.300 0.217 0.000 0.881 170 V CB 1.440 33.389 31.823 0.209 0.000 0.982 170 V HN 0.372 nan 8.190 nan 0.000 0.451 171 V N 5.160 125.075 119.914 0.002 0.000 2.483 171 V HA 0.516 4.621 4.120 -0.025 0.000 0.295 171 V C -0.144 176.021 176.094 0.117 0.000 1.035 171 V CA -0.474 61.883 62.300 0.096 0.000 0.896 171 V CB 1.603 33.548 31.823 0.203 0.000 0.986 171 V HN 0.954 nan 8.190 nan 0.000 0.447 172 Q N 2.385 122.248 119.800 0.104 0.000 2.413 172 Q HA 0.493 4.818 4.340 -0.025 0.000 0.276 172 Q C -1.859 174.196 176.000 0.091 0.000 1.099 172 Q CA -0.671 55.190 55.803 0.096 0.000 0.814 172 Q CB 2.438 31.221 28.738 0.076 0.000 1.379 172 Q HN 0.753 nan 8.270 nan 0.000 0.436 173 D N 3.202 123.659 120.400 0.095 0.000 2.386 173 D HA 0.278 4.903 4.640 -0.025 0.000 0.247 173 D C -2.195 174.160 176.300 0.092 0.000 1.336 173 D CA -1.800 52.241 54.000 0.068 0.000 0.976 173 D CB 2.013 42.864 40.800 0.084 0.000 1.257 173 D HN 0.289 nan 8.370 nan 0.000 0.570 174 P HA 0.002 nan 4.420 nan 0.000 0.216 174 P C 0.018 177.420 177.300 0.170 0.000 1.153 174 P CA 0.750 63.941 63.100 0.152 0.000 0.848 174 P CB 0.345 32.186 31.700 0.235 0.000 0.787 175 A N -0.958 121.936 122.820 0.123 0.000 2.690 175 A HA 0.606 4.911 4.320 -0.025 0.000 0.342 175 A C 1.358 178.998 177.584 0.092 0.000 1.410 175 A CA -0.008 52.084 52.037 0.093 0.000 0.958 175 A CB -0.153 18.821 19.000 -0.044 0.000 1.153 175 A HN 0.097 nan 8.150 nan 0.000 0.497 176 A N 1.662 124.547 122.820 0.109 0.000 1.873 176 A HA 0.376 4.681 4.320 -0.025 0.000 0.215 176 A C 1.992 179.655 177.584 0.131 0.000 1.186 176 A CA 1.940 54.047 52.037 0.115 0.000 0.616 176 A CB -1.024 18.032 19.000 0.094 0.000 0.823 176 A HN 2.407 nan 8.150 nan 0.000 0.442 177 G N -1.304 107.573 108.800 0.128 0.000 2.591 177 G HA2 -0.410 3.535 3.960 -0.025 0.000 0.298 177 G HA3 -0.410 3.535 3.960 -0.025 0.000 0.298 177 G C 1.210 176.146 174.900 0.059 0.000 1.195 177 G CA 1.908 47.083 45.100 0.126 0.000 0.989 177 G HN 1.504 nan 8.290 nan 0.000 0.551 178 T N -1.008 113.578 114.554 0.054 0.000 3.118 178 T HA 0.453 4.788 4.350 -0.025 0.000 0.260 178 T C 1.697 176.428 174.700 0.052 0.000 1.139 178 T CA 1.991 64.117 62.100 0.044 0.000 1.085 178 T CB -0.229 68.668 68.868 0.049 0.000 0.934 178 T HN 2.649 nan 8.240 nan 0.000 0.518 179 A N -0.106 122.757 122.820 0.073 0.000 3.002 179 A HA -0.020 4.285 4.320 -0.025 0.000 0.272 179 A C 1.595 179.191 177.584 0.020 0.000 1.421 179 A CA 0.939 53.014 52.037 0.063 0.000 0.766 179 A CB -2.367 16.650 19.000 0.028 0.000 1.034 179 A HN 0.919 nan 8.150 nan 0.000 0.541 180 G N -0.943 107.876 108.800 0.032 0.000 2.421 180 G HA2 0.046 3.991 3.960 -0.025 0.000 0.216 180 G HA3 0.046 3.991 3.960 -0.025 0.000 0.216 180 G C 1.102 175.909 174.900 -0.155 0.000 1.171 180 G CA 1.553 46.595 45.100 -0.096 0.000 0.775 180 G HN 0.644 nan 8.290 nan 0.000 0.543 181 F N 0.696 120.626 119.950 -0.033 0.000 2.146 181 F HA 0.090 4.601 4.527 -0.026 0.000 0.298 181 F C 2.660 178.438 175.800 -0.036 0.000 1.096 181 F CA 0.762 58.751 58.000 -0.019 0.000 1.275 181 F CB -0.329 38.680 39.000 0.015 0.000 1.008 181 F HN 0.006 nan 8.300 nan 0.000 0.480 182 L N -0.751 120.553 121.223 0.136 0.000 2.046 182 L HA -0.238 4.087 4.340 -0.025 0.000 0.208 182 L C 2.318 179.014 176.870 -0.290 0.000 1.077 182 L CA 1.016 55.848 54.840 -0.013 0.000 0.747 182 L CB -0.674 41.383 42.059 -0.005 0.000 0.896 182 L HN 0.094 nan 8.230 nan 0.000 0.432 183 I N 0.089 120.496 120.570 -0.273 0.000 2.226 183 I HA -0.265 3.890 4.170 -0.025 0.000 0.245 183 I C 2.575 178.513 176.117 -0.298 0.000 1.100 183 I CA 1.316 62.373 61.300 -0.404 0.000 1.374 183 I CB -0.458 37.199 38.000 -0.572 0.000 1.057 183 I HN 0.219 nan 8.210 nan 0.000 0.413 184 E N 0.943 121.029 120.200 -0.189 0.000 2.077 184 E HA -0.181 4.154 4.350 -0.025 0.000 0.193 184 E C 2.235 178.838 176.600 0.005 0.000 0.989 184 E CA 1.619 57.962 56.400 -0.094 0.000 0.800 184 E CB -0.325 29.313 29.700 -0.103 0.000 0.746 184 E HN 0.408 nan 8.360 nan 0.000 0.452 185 A N 0.590 123.429 122.820 0.032 0.000 1.902 185 A HA -0.213 4.092 4.320 -0.025 0.000 0.217 185 A C 2.137 179.844 177.584 0.205 0.000 1.181 185 A CA 1.964 54.119 52.037 0.197 0.000 0.623 185 A CB -0.946 18.284 19.000 0.383 0.000 0.818 185 A HN 0.418 nan 8.150 nan 0.000 0.443 186 D N -0.627 119.645 120.400 -0.213 0.000 2.117 186 D HA -0.189 4.436 4.640 -0.025 0.000 0.197 186 D C 2.104 178.421 176.300 0.029 0.000 0.987 186 D CA 1.461 55.330 54.000 -0.219 0.000 0.829 186 D CB -0.229 40.202 40.800 -0.615 0.000 0.961 186 D HN 0.456 nan 8.370 nan 0.000 0.460 187 R N -1.341 119.157 120.500 -0.003 0.000 2.081 187 R HA -0.208 4.117 4.340 -0.025 0.000 0.235 187 R C 2.285 178.641 176.300 0.094 0.000 1.131 187 R CA 1.237 57.362 56.100 0.042 0.000 0.960 187 R CB -0.573 29.743 30.300 0.027 0.000 0.856 187 R HN 0.314 nan 8.270 nan 0.000 0.436 188 Y N 0.656 120.989 120.300 0.054 0.000 2.145 188 Y HA -0.212 4.323 4.550 -0.025 0.000 0.286 188 Y C 1.972 177.928 175.900 0.094 0.000 1.145 188 Y CA 1.780 59.928 58.100 0.080 0.000 1.148 188 Y CB -0.242 38.277 38.460 0.099 0.000 0.981 188 Y HN -0.137 nan 8.280 nan 0.000 0.507 189 V N 0.669 120.713 119.914 0.217 0.000 2.295 189 V HA -0.322 3.783 4.120 -0.025 0.000 0.246 189 V C 2.222 178.328 176.094 0.019 0.000 1.049 189 V CA 2.385 64.772 62.300 0.145 0.000 1.024 189 V CB -0.629 31.365 31.823 0.285 0.000 0.648 189 V HN 0.325 nan 8.190 nan 0.000 0.447 190 K N 0.900 121.327 120.400 0.045 0.000 2.097 190 K HA -0.151 4.154 4.320 -0.025 0.000 0.206 190 K C 2.420 178.998 176.600 -0.038 0.000 1.049 190 K CA 1.664 57.963 56.287 0.021 0.000 0.933 190 K CB -0.374 32.149 32.500 0.038 0.000 0.717 190 K HN 0.647 nan 8.250 nan 0.000 0.442 191 S N 1.056 116.702 115.700 -0.091 0.000 2.383 191 S HA -0.189 4.266 4.470 -0.025 0.000 0.229 191 S C 1.927 176.439 174.600 -0.146 0.000 1.030 191 S CA 0.887 59.017 58.200 -0.116 0.000 1.002 191 S CB -0.197 62.913 63.200 -0.150 0.000 0.829 191 S HN 0.192 nan 8.310 nan 0.000 0.467 192 Q N 1.493 121.162 119.800 -0.218 0.000 2.083 192 Q HA -0.029 4.296 4.340 -0.025 0.000 0.198 192 Q C 2.593 178.547 176.000 -0.077 0.000 0.969 192 Q CA 1.993 57.693 55.803 -0.171 0.000 0.838 192 Q CB -1.408 27.208 28.738 -0.204 0.000 0.900 192 Q HN 0.918 nan 8.270 nan 0.000 0.436 193 T N -2.352 112.174 114.554 -0.047 0.000 3.085 193 T HA -0.004 4.331 4.350 -0.025 0.000 0.263 193 T C 0.201 174.898 174.700 -0.006 0.000 1.127 193 T CA 0.546 62.640 62.100 -0.010 0.000 1.103 193 T CB -0.220 68.659 68.868 0.018 0.000 0.921 193 T HN 0.378 nan 8.240 nan 0.000 0.510 194 N N 1.846 120.537 118.700 -0.015 0.000 2.780 194 N HA -0.131 4.594 4.740 -0.025 0.000 0.247 194 N C -1.025 174.489 175.510 0.006 0.000 1.076 194 N CA 0.644 53.691 53.050 -0.006 0.000 0.688 194 N CB -1.554 36.931 38.487 -0.003 0.000 0.957 194 N HN 0.453 nan 8.380 nan 0.000 0.551 195 D N -0.488 119.918 120.400 0.009 0.000 2.723 195 D HA -0.221 4.404 4.640 -0.025 0.000 0.236 195 D C 0.670 176.991 176.300 0.034 0.000 1.138 195 D CA 1.370 55.384 54.000 0.024 0.000 0.676 195 D CB -0.987 39.825 40.800 0.021 0.000 1.069 195 D HN 0.668 nan 8.370 nan 0.000 0.430 196 L N -2.082 119.164 121.223 0.038 0.000 5.081 196 L HA -0.307 4.018 4.340 -0.025 0.000 0.423 196 L C 1.412 178.306 176.870 0.039 0.000 1.019 196 L CA 1.334 56.205 54.840 0.051 0.000 1.223 196 L CB -1.132 40.968 42.059 0.068 0.000 1.940 196 L HN 0.121 nan 8.230 nan 0.000 0.675 197 D N 0.746 121.162 120.400 0.028 0.000 2.144 197 D HA -0.120 4.506 4.640 -0.025 0.000 0.200 197 D C 1.531 177.843 176.300 0.020 0.000 0.978 197 D CA 1.636 55.650 54.000 0.023 0.000 0.833 197 D CB -0.001 40.808 40.800 0.015 0.000 0.961 197 D HN 0.498 nan 8.370 nan 0.000 0.470 198 D N 0.311 120.721 120.400 0.016 0.000 2.144 198 D HA -0.041 4.584 4.640 -0.025 0.000 0.199 198 D C 1.002 177.312 176.300 0.017 0.000 0.984 198 D CA 0.388 54.395 54.000 0.012 0.000 0.834 198 D CB 0.026 40.830 40.800 0.006 0.000 0.955 198 D HN 0.241 nan 8.370 nan 0.000 0.465 199 L N 1.907 123.146 121.223 0.026 0.000 2.453 199 L HA 0.129 4.454 4.340 -0.025 0.000 0.261 199 L C 0.974 177.864 176.870 0.033 0.000 1.179 199 L CA -0.782 54.077 54.840 0.031 0.000 0.813 199 L CB 0.482 42.570 42.059 0.048 0.000 1.110 199 L HN 0.046 nan 8.230 nan 0.000 0.466 200 D N 0.879 121.297 120.400 0.030 0.000 2.377 200 D HA 0.017 4.642 4.640 -0.025 0.000 0.245 200 D C 1.010 177.339 176.300 0.048 0.000 1.196 200 D CA -0.118 53.901 54.000 0.032 0.000 0.962 200 D CB 1.122 41.936 40.800 0.023 0.000 1.127 200 D HN 0.627 nan 8.370 nan 0.000 0.471 201 G N -0.205 108.624 108.800 0.048 0.000 2.418 201 G HA2 -0.327 3.618 3.960 -0.025 0.000 0.217 201 G HA3 -0.327 3.618 3.960 -0.025 0.000 0.217 201 G C 1.202 176.151 174.900 0.082 0.000 1.158 201 G CA 1.083 46.220 45.100 0.062 0.000 0.771 201 G HN 0.640 nan 8.290 nan 0.000 0.545 202 D N 0.177 120.620 120.400 0.072 0.000 2.097 202 D HA -0.090 4.535 4.640 -0.025 0.000 0.195 202 D C 2.587 178.963 176.300 0.127 0.000 0.989 202 D CA 1.653 55.706 54.000 0.089 0.000 0.827 202 D CB -0.396 40.439 40.800 0.058 0.000 0.966 202 D HN 0.225 nan 8.370 nan 0.000 0.456 203 T N 0.071 114.683 114.554 0.097 0.000 2.788 203 T HA -0.143 4.192 4.350 -0.025 0.000 0.268 203 T C 1.932 176.745 174.700 0.189 0.000 1.044 203 T CA 1.166 63.338 62.100 0.120 0.000 1.139 203 T CB -0.222 68.681 68.868 0.058 0.000 0.867 203 T HN 0.313 nan 8.240 nan 0.000 0.454 204 Q N 0.721 120.605 119.800 0.139 0.000 2.084 204 Q HA -0.149 4.176 4.340 -0.025 0.000 0.202 204 Q C 2.058 178.154 176.000 0.159 0.000 0.978 204 Q CA 1.574 57.457 55.803 0.133 0.000 0.844 204 Q CB -0.237 28.559 28.738 0.097 0.000 0.898 204 Q HN 0.478 nan 8.270 nan 0.000 0.426 205 D N 0.125 120.637 120.400 0.187 0.000 2.144 205 D HA -0.146 4.479 4.640 -0.025 0.000 0.199 205 D C 1.376 177.838 176.300 0.270 0.000 0.984 205 D CA 0.731 54.881 54.000 0.250 0.000 0.834 205 D CB -0.225 40.723 40.800 0.247 0.000 0.955 205 D HN 0.135 nan 8.370 nan 0.000 0.465 206 F N 1.416 121.439 119.950 0.122 0.000 2.095 206 F HA -0.225 4.287 4.527 -0.025 0.000 0.298 206 F C 2.188 178.034 175.800 0.077 0.000 1.104 206 F CA 1.346 59.404 58.000 0.097 0.000 1.232 206 F CB -0.039 38.992 39.000 0.051 0.000 0.987 206 F HN -0.148 nan 8.300 nan 0.000 0.475 207 Q N 0.532 120.446 119.800 0.190 0.000 2.084 207 Q HA -0.160 4.165 4.340 -0.025 0.000 0.202 207 Q C 2.492 178.520 176.000 0.047 0.000 0.978 207 Q CA 2.030 57.893 55.803 0.101 0.000 0.844 207 Q CB -0.595 28.267 28.738 0.206 0.000 0.898 207 Q HN 0.534 nan 8.270 nan 0.000 0.426 208 I N 0.108 120.679 120.570 0.001 0.000 2.133 208 I HA -0.278 3.877 4.170 -0.025 0.000 0.238 208 I C 2.417 178.376 176.117 -0.263 0.000 1.074 208 I CA 1.238 62.453 61.300 -0.141 0.000 1.342 208 I CB -0.401 37.407 38.000 -0.321 0.000 1.053 208 I HN 0.255 nan 8.210 nan 0.000 0.404 209 H N 0.662 119.720 119.070 -0.020 0.000 2.306 209 H HA 0.085 4.626 4.556 -0.025 0.000 0.307 209 H C 2.397 177.640 175.328 -0.142 0.000 1.061 209 H CA 1.101 57.122 56.048 -0.045 0.000 1.359 209 H CB -0.131 29.613 29.762 -0.029 0.000 1.407 209 H HN 0.247 nan 8.280 nan 0.000 0.517 210 R N 0.603 120.945 120.500 -0.263 0.000 2.127 210 R HA 0.111 4.437 4.340 -0.025 0.000 0.217 210 R C 2.509 178.383 176.300 -0.709 0.000 1.074 210 R CA 0.696 56.456 56.100 -0.565 0.000 0.991 210 R CB -0.046 29.683 30.300 -0.952 0.000 0.895 210 R HN 0.162 nan 8.270 nan 0.000 0.450 211 A N 1.287 123.622 122.820 -0.808 0.000 1.908 211 A HA -0.091 4.214 4.320 -0.025 0.000 0.218 211 A C 0.494 177.631 177.584 -0.745 0.000 1.181 211 A CA 1.152 52.739 52.037 -0.750 0.000 0.627 211 A CB -0.196 18.345 19.000 -0.766 0.000 0.818 211 A HN 0.131 nan 8.150 nan 0.000 0.445 212 F N -1.490 118.423 119.950 -0.061 0.000 2.522 212 F HA 0.738 5.250 4.527 -0.025 0.000 0.324 212 F C -0.094 175.699 175.800 -0.012 0.000 1.077 212 F CA -0.849 57.151 58.000 -0.000 0.000 0.944 212 F CB 1.544 40.554 39.000 0.017 0.000 1.175 212 F HN -0.085 nan 8.300 nan 0.000 0.468 213 I N 0.646 121.320 120.570 0.173 0.000 2.894 213 I HA 0.809 4.964 4.170 -0.025 0.000 0.302 213 I C -0.275 175.902 176.117 0.100 0.000 1.188 213 I CA -0.765 60.590 61.300 0.091 0.000 1.014 213 I CB 2.638 40.654 38.000 0.027 0.000 1.242 213 I HN 0.727 nan 8.210 nan 0.000 0.430 214 G N 3.126 111.965 108.800 0.065 0.000 2.692 214 G HA2 0.711 4.656 3.960 -0.025 0.000 0.291 214 G HA3 0.711 4.656 3.960 -0.025 0.000 0.291 214 G C -2.438 172.489 174.900 0.044 0.000 1.423 214 G CA -0.488 44.654 45.100 0.070 0.000 0.843 214 G HN 0.382 nan 8.290 nan 0.000 0.486 215 L N 0.028 121.285 121.223 0.055 0.000 2.431 215 L HA 0.893 5.218 4.340 -0.025 0.000 0.266 215 L C -1.142 175.769 176.870 0.068 0.000 0.978 215 L CA -0.805 54.061 54.840 0.044 0.000 0.822 215 L CB 2.337 44.411 42.059 0.025 0.000 1.310 215 L HN 0.641 nan 8.230 nan 0.000 0.409 216 E N 3.047 123.287 120.200 0.066 0.000 2.256 216 E HA 0.326 4.662 4.350 -0.025 0.000 0.268 216 E C -0.344 176.307 176.600 0.085 0.000 0.877 216 E CA -0.555 55.895 56.400 0.084 0.000 0.757 216 E CB 1.686 31.430 29.700 0.073 0.000 1.183 216 E HN 0.601 nan 8.360 nan 0.000 0.418 217 L N 4.343 125.627 121.223 0.102 0.000 2.005 217 L HA 0.205 4.531 4.340 -0.025 0.000 0.207 217 L C 0.057 176.980 176.870 0.088 0.000 1.072 217 L CA 1.311 56.206 54.840 0.093 0.000 0.744 217 L CB 0.163 42.285 42.059 0.105 0.000 0.895 217 L HN 0.485 nan 8.230 nan 0.000 0.433 218 V N 1.651 121.623 119.914 0.097 0.000 2.555 218 V HA 0.120 4.225 4.120 -0.025 0.000 0.286 218 V C -1.309 174.818 176.094 0.056 0.000 1.044 218 V CA -0.808 61.538 62.300 0.077 0.000 1.026 218 V CB 0.680 32.554 31.823 0.086 0.000 0.981 218 V HN 0.200 nan 8.190 nan 0.000 0.480 219 P HA -0.039 nan 4.420 nan 0.000 0.217 219 P C 1.606 178.915 177.300 0.016 0.000 1.151 219 P CA 1.273 64.398 63.100 0.042 0.000 0.828 219 P CB 0.220 31.924 31.700 0.006 0.000 0.788 220 G N -0.744 108.058 108.800 0.004 0.000 2.421 220 G HA2 -0.220 3.725 3.960 -0.025 0.000 0.216 220 G HA3 -0.220 3.725 3.960 -0.025 0.000 0.216 220 G C 1.458 176.339 174.900 -0.030 0.000 1.171 220 G CA 1.377 46.470 45.100 -0.011 0.000 0.775 220 G HN 0.169 nan 8.290 nan 0.000 0.543 221 T N 0.089 114.612 114.554 -0.051 0.000 2.821 221 T HA -0.067 4.268 4.350 -0.025 0.000 0.267 221 T C 2.302 176.979 174.700 -0.040 0.000 1.046 221 T CA 1.155 63.194 62.100 -0.103 0.000 1.139 221 T CB -0.093 68.685 68.868 -0.150 0.000 0.871 221 T HN 0.283 nan 8.240 nan 0.000 0.454 222 R N 0.936 121.435 120.500 -0.002 0.000 2.096 222 R HA -0.057 4.269 4.340 -0.025 0.000 0.235 222 R C 2.550 178.844 176.300 -0.010 0.000 1.127 222 R CA 1.236 57.344 56.100 0.014 0.000 0.968 222 R CB -0.043 30.286 30.300 0.048 0.000 0.861 222 R HN 0.342 nan 8.270 nan 0.000 0.440 223 R N -0.060 120.421 120.500 -0.032 0.000 2.083 223 R HA -0.146 4.179 4.340 -0.025 0.000 0.237 223 R C 2.257 178.504 176.300 -0.088 0.000 1.137 223 R CA 1.430 57.475 56.100 -0.092 0.000 0.951 223 R CB -0.433 29.794 30.300 -0.121 0.000 0.851 223 R HN 0.131 nan 8.270 nan 0.000 0.434 224 L N 0.500 121.708 121.223 -0.026 0.000 2.046 224 L HA -0.138 4.187 4.340 -0.025 0.000 0.208 224 L C 2.528 179.421 176.870 0.038 0.000 1.077 224 L CA 2.000 56.866 54.840 0.042 0.000 0.747 224 L CB -0.945 41.197 42.059 0.139 0.000 0.896 224 L HN 0.197 nan 8.230 nan 0.000 0.432 225 A N -0.730 122.103 122.820 0.022 0.000 1.902 225 A HA -0.144 4.161 4.320 -0.025 0.000 0.217 225 A C 2.329 179.923 177.584 0.017 0.000 1.181 225 A CA 1.493 53.550 52.037 0.032 0.000 0.623 225 A CB -0.755 18.262 19.000 0.029 0.000 0.818 225 A HN 0.376 nan 8.150 nan 0.000 0.443 226 L N -1.223 119.990 121.223 -0.016 0.000 2.046 226 L HA -0.225 4.101 4.340 -0.025 0.000 0.208 226 L C 2.874 179.719 176.870 -0.042 0.000 1.077 226 L CA 1.668 56.490 54.840 -0.031 0.000 0.747 226 L CB -0.546 41.471 42.059 -0.070 0.000 0.896 226 L HN 0.427 nan 8.230 nan 0.000 0.432 227 M N -0.653 118.895 119.600 -0.086 0.000 2.159 227 M HA -0.196 4.269 4.480 -0.025 0.000 0.263 227 M C 2.054 178.349 176.300 -0.008 0.000 1.063 227 M CA 1.480 56.720 55.300 -0.101 0.000 1.110 227 M CB -0.564 31.912 32.600 -0.205 0.000 1.374 227 M HN 0.257 nan 8.290 nan 0.000 0.411 228 N N 0.629 119.358 118.700 0.050 0.000 2.069 228 N HA -0.137 4.588 4.740 -0.025 0.000 0.191 228 N C 1.534 177.189 175.510 0.241 0.000 1.031 228 N CA 1.693 54.845 53.050 0.170 0.000 0.852 228 N CB -0.366 38.220 38.487 0.166 0.000 1.018 228 N HN 0.356 nan 8.380 nan 0.000 0.423 229 C N 0.537 119.913 119.300 0.127 0.000 2.440 229 C HA 0.022 4.467 4.460 -0.025 0.000 0.278 229 C C 2.681 177.734 174.990 0.106 0.000 1.295 229 C CA 0.056 59.141 59.018 0.111 0.000 1.738 229 C CB -1.292 26.473 27.740 0.041 0.000 1.987 229 C HN 0.509 nan 8.230 nan 0.000 0.492 230 L N 0.815 122.076 121.223 0.064 0.000 2.017 230 L HA -0.116 4.209 4.340 -0.025 0.000 0.208 230 L C 2.261 179.158 176.870 0.046 0.000 1.073 230 L CA 2.169 57.041 54.840 0.053 0.000 0.745 230 L CB -1.094 40.989 42.059 0.040 0.000 0.894 230 L HN 0.228 nan 8.230 nan 0.000 0.432 231 L N -0.419 120.814 121.223 0.018 0.000 2.141 231 L HA -0.181 4.144 4.340 -0.025 0.000 0.209 231 L C 2.634 179.413 176.870 -0.151 0.000 1.094 231 L CA 1.265 56.068 54.840 -0.062 0.000 0.763 231 L CB -1.172 40.825 42.059 -0.104 0.000 0.908 231 L HN 0.343 nan 8.230 nan 0.000 0.437 232 H N -0.173 118.905 119.070 0.013 0.000 2.559 232 H HA -0.053 4.488 4.556 -0.025 0.000 0.273 232 H C 0.090 175.410 175.328 -0.013 0.000 1.000 232 H CA 0.885 56.928 56.048 -0.008 0.000 1.195 232 H CB 0.070 29.811 29.762 -0.036 0.000 1.368 232 H HN 0.318 nan 8.280 nan 0.000 0.592 233 D N -0.207 120.231 120.400 0.063 0.000 2.947 233 D HA -0.166 4.459 4.640 -0.025 0.000 0.224 233 D C -0.186 176.128 176.300 0.024 0.000 1.132 233 D CA 0.444 54.468 54.000 0.039 0.000 0.801 233 D CB -1.727 39.093 40.800 0.032 0.000 1.097 233 D HN 0.407 nan 8.370 nan 0.000 0.431 234 I N 1.088 121.677 120.570 0.032 0.000 2.347 234 I HA 0.099 4.254 4.170 -0.025 0.000 0.283 234 I C 1.652 177.770 176.117 0.002 0.000 1.058 234 I CA -0.400 60.903 61.300 0.004 0.000 1.202 234 I CB 0.867 38.861 38.000 -0.010 0.000 1.386 234 I HN -0.117 nan 8.210 nan 0.000 0.475 235 E N 4.221 124.388 120.200 -0.055 0.000 2.046 235 E HA 0.059 4.394 4.350 -0.025 0.000 0.190 235 E C 1.440 178.073 176.600 0.054 0.000 0.982 235 E CA 0.765 57.159 56.400 -0.010 0.000 0.800 235 E CB 0.035 29.712 29.700 -0.039 0.000 0.756 235 E HN 0.874 nan 8.360 nan 0.000 0.449 236 G N 1.608 110.429 108.800 0.036 0.000 2.553 236 G HA2 -0.338 3.607 3.960 -0.025 0.000 0.242 236 G HA3 -0.338 3.607 3.960 -0.025 0.000 0.242 236 G C -0.414 174.620 174.900 0.223 0.000 1.277 236 G CA -0.032 45.136 45.100 0.115 0.000 0.910 236 G HN 0.382 nan 8.290 nan 0.000 0.576 237 N N 0.230 119.031 118.700 0.167 0.000 2.426 237 N HA 0.451 5.177 4.740 -0.025 0.000 0.275 237 N C 1.809 177.399 175.510 0.133 0.000 1.019 237 N CA -0.630 52.520 53.050 0.168 0.000 0.941 237 N CB 0.584 39.208 38.487 0.229 0.000 1.123 237 N HN 0.476 nan 8.380 nan 0.000 0.486 238 L N 2.641 123.915 121.223 0.085 0.000 2.093 238 L HA -0.149 4.176 4.340 -0.025 0.000 0.208 238 L C 1.314 178.177 176.870 -0.012 0.000 1.085 238 L CA 1.022 55.887 54.840 0.042 0.000 0.755 238 L CB -0.309 41.763 42.059 0.023 0.000 0.904 238 L HN 0.626 nan 8.230 nan 0.000 0.435 239 D N -0.866 119.499 120.400 -0.059 0.000 2.104 239 D HA -0.190 4.435 4.640 -0.025 0.000 0.194 239 D C 2.152 178.280 176.300 -0.287 0.000 0.994 239 D CA 1.247 55.133 54.000 -0.191 0.000 0.830 239 D CB -0.209 40.412 40.800 -0.298 0.000 0.959 239 D HN 0.341 nan 8.370 nan 0.000 0.452 240 H N -1.190 117.861 119.070 -0.031 0.000 2.524 240 H HA 0.135 4.676 4.556 -0.025 0.000 0.282 240 H C 1.759 177.041 175.328 -0.078 0.000 1.016 240 H CA 1.329 57.345 56.048 -0.054 0.000 1.270 240 H CB 0.648 30.392 29.762 -0.030 0.000 1.394 240 H HN 0.335 nan 8.280 nan 0.000 0.568 241 G N -0.595 108.220 108.800 0.024 0.000 2.307 241 G HA2 -0.139 3.806 3.960 -0.025 0.000 0.210 241 G HA3 -0.139 3.806 3.960 -0.025 0.000 0.210 241 G C 0.662 175.584 174.900 0.036 0.000 1.005 241 G CA 0.041 45.141 45.100 -0.001 0.000 0.634 241 G HN 0.894 nan 8.290 nan 0.000 0.496 242 G N -1.439 107.405 108.800 0.074 0.000 2.367 242 G HA2 0.582 4.527 3.960 -0.025 0.000 0.272 242 G HA3 0.582 4.527 3.960 -0.025 0.000 0.272 242 G C 0.834 175.782 174.900 0.081 0.000 1.271 242 G CA 1.326 46.471 45.100 0.075 0.000 0.893 242 G HN 1.553 nan 8.290 nan 0.000 0.485 243 A N -0.753 122.106 122.820 0.066 0.000 1.873 243 A HA 0.348 4.653 4.320 -0.025 0.000 0.215 243 A C 1.107 178.722 177.584 0.052 0.000 1.186 243 A CA 1.585 53.663 52.037 0.068 0.000 0.616 243 A CB -0.495 18.550 19.000 0.074 0.000 0.823 243 A HN 0.711 nan 8.150 nan 0.000 0.442 244 I N -0.054 120.541 120.570 0.042 0.000 2.342 244 I HA 0.314 4.469 4.170 -0.025 0.000 0.291 244 I C 0.655 176.787 176.117 0.025 0.000 1.010 244 I CA -0.166 61.156 61.300 0.036 0.000 1.308 244 I CB 1.122 39.145 38.000 0.037 0.000 1.400 244 I HN 0.248 nan 8.210 nan 0.000 0.488 245 R N 5.684 126.190 120.500 0.010 0.000 2.532 245 R HA 0.532 4.857 4.340 -0.025 0.000 0.272 245 R C -1.151 175.162 176.300 0.022 0.000 1.032 245 R CA -0.764 55.339 56.100 0.005 0.000 1.089 245 R CB 0.966 31.232 30.300 -0.057 0.000 1.098 245 R HN 0.506 nan 8.270 nan 0.000 0.526 246 L N 3.356 124.594 121.223 0.026 0.000 2.272 246 L HA 0.646 4.971 4.340 -0.025 0.000 0.289 246 L C -0.533 176.374 176.870 0.062 0.000 1.032 246 L CA 0.481 55.358 54.840 0.062 0.000 0.810 246 L CB 0.591 42.722 42.059 0.120 0.000 1.205 246 L HN 0.941 nan 8.230 nan 0.000 0.422 247 G N 4.012 112.847 108.800 0.058 0.000 2.322 247 G HA2 0.062 4.007 3.960 -0.025 0.000 0.295 247 G HA3 0.062 4.007 3.960 -0.025 0.000 0.295 247 G C -1.905 173.015 174.900 0.034 0.000 1.369 247 G CA -0.810 44.316 45.100 0.044 0.000 0.821 247 G HN 0.592 nan 8.290 nan 0.000 0.536 248 N N -0.536 118.172 118.700 0.014 0.000 2.419 248 N HA 0.483 5.208 4.740 -0.025 0.000 0.277 248 N C 1.323 176.800 175.510 -0.055 0.000 1.006 248 N CA 0.159 53.208 53.050 -0.002 0.000 0.923 248 N CB 1.729 40.215 38.487 -0.001 0.000 1.140 248 N HN 0.333 nan 8.380 nan 0.000 0.488 249 T N 3.264 117.757 114.554 -0.101 0.000 2.737 249 T HA -0.031 4.304 4.350 -0.025 0.000 0.265 249 T C 1.691 176.220 174.700 -0.286 0.000 1.038 249 T CA 0.973 62.916 62.100 -0.261 0.000 1.144 249 T CB -0.121 68.516 68.868 -0.385 0.000 0.866 249 T HN 0.458 nan 8.240 nan 0.000 0.434 250 L N 0.537 121.616 121.223 -0.239 0.000 2.275 250 L HA 0.121 4.446 4.340 -0.025 0.000 0.215 250 L C 1.847 178.692 176.870 -0.040 0.000 1.119 250 L CA 0.242 55.009 54.840 -0.122 0.000 0.790 250 L CB -0.792 41.203 42.059 -0.106 0.000 0.919 250 L HN 0.270 nan 8.230 nan 0.000 0.443 251 G N -1.433 107.334 108.800 -0.055 0.000 2.574 251 G HA2 0.141 4.086 3.960 -0.025 0.000 0.248 251 G HA3 0.141 4.086 3.960 -0.025 0.000 0.248 251 G C 0.887 175.757 174.900 -0.051 0.000 1.422 251 G CA 0.003 45.080 45.100 -0.038 0.000 1.051 251 G HN -0.017 nan 8.290 nan 0.000 0.560 252 S N 0.086 115.764 115.700 -0.037 0.000 2.399 252 S HA -0.104 4.351 4.470 -0.025 0.000 0.231 252 S C 1.887 176.471 174.600 -0.026 0.000 1.022 252 S CA 1.398 59.577 58.200 -0.035 0.000 0.983 252 S CB -0.243 62.944 63.200 -0.021 0.000 0.803 252 S HN 0.543 nan 8.310 nan 0.000 0.480 253 D N 1.396 121.784 120.400 -0.020 0.000 2.123 253 D HA -0.075 4.550 4.640 -0.025 0.000 0.196 253 D C 2.191 178.477 176.300 -0.024 0.000 0.992 253 D CA 1.307 55.299 54.000 -0.013 0.000 0.833 253 D CB -0.712 40.083 40.800 -0.008 0.000 0.954 253 D HN 0.484 nan 8.370 nan 0.000 0.455 254 G N 1.550 110.317 108.800 -0.054 0.000 2.446 254 G HA2 -0.292 3.653 3.960 -0.025 0.000 0.217 254 G HA3 -0.292 3.653 3.960 -0.025 0.000 0.217 254 G C 1.468 176.406 174.900 0.063 0.000 1.168 254 G CA 1.148 46.204 45.100 -0.074 0.000 0.771 254 G HN 0.467 nan 8.290 nan 0.000 0.551 255 E N 0.608 120.818 120.200 0.016 0.000 2.106 255 E HA -0.107 4.228 4.350 -0.025 0.000 0.192 255 E C 2.012 178.615 176.600 0.006 0.000 0.984 255 E CA 1.154 57.560 56.400 0.010 0.000 0.806 255 E CB -0.557 29.109 29.700 -0.057 0.000 0.750 255 E HN 0.517 nan 8.360 nan 0.000 0.458 256 N N 0.631 119.331 118.700 -0.000 0.000 2.289 256 N HA -0.052 4.673 4.740 -0.025 0.000 0.184 256 N C 0.358 175.868 175.510 0.000 0.000 1.016 256 N CA 0.076 53.126 53.050 0.000 0.000 0.872 256 N CB -0.083 38.408 38.487 0.007 0.000 0.973 256 N HN 0.090 nan 8.380 nan 0.000 0.433 257 L N 1.931 123.162 121.223 0.012 0.000 2.506 257 L HA 0.099 4.424 4.340 -0.025 0.000 0.281 257 L C -2.019 174.850 176.870 -0.002 0.000 1.228 257 L CA -1.354 53.490 54.840 0.006 0.000 0.850 257 L CB 0.053 42.148 42.059 0.059 0.000 1.110 257 L HN 0.036 nan 8.230 nan 0.000 0.496 258 P HA 0.144 nan 4.420 nan 0.000 0.274 258 P C -1.170 176.089 177.300 -0.068 0.000 1.246 258 P CA -0.535 62.549 63.100 -0.027 0.000 0.795 258 P CB 0.437 32.134 31.700 -0.006 0.000 1.006 259 K N 0.281 120.601 120.400 -0.132 0.000 2.219 259 K HA 0.594 4.899 4.320 -0.025 0.000 0.258 259 K C 0.127 176.555 176.600 -0.286 0.000 1.008 259 K CA -0.194 55.879 56.287 -0.358 0.000 0.928 259 K CB 0.518 32.554 32.500 -0.772 0.000 0.983 259 K HN 0.613 nan 8.250 nan 0.000 0.484 260 A N 1.401 124.015 122.820 -0.342 0.000 2.475 260 A HA 0.420 4.725 4.320 -0.025 0.000 0.301 260 A C 0.345 177.919 177.584 -0.016 0.000 1.059 260 A CA -0.669 51.302 52.037 -0.110 0.000 0.710 260 A CB 0.726 19.718 19.000 -0.014 0.000 1.288 260 A HN 0.772 nan 8.150 nan 0.000 0.408 261 H N 0.927 120.155 119.070 0.262 0.000 2.363 261 H HA 0.137 4.678 4.556 -0.025 0.000 0.301 261 H C 0.118 175.514 175.328 0.112 0.000 1.074 261 H CA 1.719 57.896 56.048 0.215 0.000 1.354 261 H CB 0.181 30.021 29.762 0.130 0.000 1.397 261 H HN 0.513 nan 8.280 nan 0.000 0.516 262 I N 0.617 121.302 120.570 0.191 0.000 2.689 262 I HA 0.291 4.446 4.170 -0.025 0.000 0.299 262 I C -0.830 175.324 176.117 0.061 0.000 1.059 262 I CA -0.780 60.581 61.300 0.101 0.000 1.055 262 I CB 3.274 41.330 38.000 0.093 0.000 1.243 262 I HN -0.274 nan 8.210 nan 0.000 0.425 263 V N 3.797 123.715 119.914 0.007 0.000 2.623 263 V HA 0.773 4.878 4.120 -0.025 0.000 0.304 263 V C -0.544 175.498 176.094 -0.087 0.000 1.054 263 V CA -0.516 61.775 62.300 -0.015 0.000 0.882 263 V CB 1.740 33.559 31.823 -0.006 0.000 1.002 263 V HN 0.825 nan 8.190 nan 0.000 0.424 264 A N 3.007 125.749 122.820 -0.129 0.000 2.353 264 A HA 0.919 5.224 4.320 -0.025 0.000 0.299 264 A C -0.485 176.713 177.584 -0.644 0.000 1.089 264 A CA -0.480 51.361 52.037 -0.327 0.000 0.736 264 A CB 1.963 20.860 19.000 -0.173 0.000 1.195 264 A HN 0.837 nan 8.150 nan 0.000 0.447 265 T N 0.957 115.084 114.554 -0.712 0.000 2.840 265 T HA 0.502 4.837 4.350 -0.025 0.000 0.317 265 T C -1.999 172.400 174.700 -0.502 0.000 1.401 265 T CA -0.560 61.141 62.100 -0.665 0.000 1.028 265 T CB 1.462 70.173 68.868 -0.261 0.000 1.317 265 T HN 0.620 nan 8.240 nan 0.000 0.495 266 N N 3.217 121.745 118.700 -0.287 0.000 2.569 266 N HA 0.507 5.232 4.740 -0.025 0.000 0.254 266 N C -2.694 172.744 175.510 -0.119 0.000 1.004 266 N CA -1.688 51.313 53.050 -0.080 0.000 0.904 266 N CB 1.709 40.294 38.487 0.163 0.000 1.165 266 N HN 0.367 nan 8.380 nan 0.000 0.513 267 P HA 0.381 nan 4.420 nan 0.000 0.276 267 P C -2.761 174.351 177.300 -0.313 0.000 1.252 267 P CA -1.222 61.551 63.100 -0.545 0.000 0.802 267 P CB 0.045 31.144 31.700 -1.001 0.000 1.035 268 P HA 0.212 nan 4.420 nan 0.000 0.274 268 P C -0.665 176.611 177.300 -0.040 0.000 1.231 268 P CA 0.187 63.242 63.100 -0.075 0.000 0.790 268 P CB 0.301 31.933 31.700 -0.112 0.000 0.951 269 F N 0.532 120.362 119.950 -0.201 0.000 2.408 269 F HA 0.608 5.123 4.527 -0.021 0.000 0.325 269 F C 1.569 177.298 175.800 -0.118 0.000 1.082 269 F CA 0.520 58.419 58.000 -0.168 0.000 1.032 269 F CB 0.378 39.273 39.000 -0.175 0.000 1.259 269 F HN 0.716 nan 8.300 nan 0.000 0.503 270 G N 0.622 109.458 108.800 0.060 0.000 2.632 270 G HA2 -0.258 3.688 3.960 -0.025 0.000 0.224 270 G HA3 -0.258 3.688 3.960 -0.025 0.000 0.224 270 G C 0.759 175.658 174.900 -0.001 0.000 1.341 270 G CA -0.073 45.044 45.100 0.028 0.000 0.880 270 G HN 0.885 nan 8.290 nan 0.000 0.566 271 S N -0.300 115.403 115.700 0.006 0.000 2.402 271 S HA 0.348 4.803 4.470 -0.025 0.000 0.229 271 S C 1.460 176.071 174.600 0.017 0.000 1.021 271 S CA 2.319 60.523 58.200 0.007 0.000 0.974 271 S CB -0.988 62.218 63.200 0.010 0.000 0.800 271 S HN 2.749 nan 8.310 nan 0.000 0.484 272 A N -0.656 122.173 122.820 0.015 0.000 2.861 272 A HA 0.342 4.647 4.320 -0.025 0.000 0.668 272 A C 0.288 177.887 177.584 0.025 0.000 0.438 272 A CA -0.284 51.764 52.037 0.019 0.000 0.161 272 A CB -1.765 17.266 19.000 0.052 0.000 3.864 272 A HN 1.560 nan 8.150 nan 0.000 0.539 273 A N -0.166 122.674 122.820 0.033 0.000 2.280 273 A HA 0.664 4.969 4.320 -0.025 0.000 0.268 273 A C 1.340 178.954 177.584 0.050 0.000 1.111 273 A CA 0.568 52.631 52.037 0.043 0.000 0.814 273 A CB -0.448 18.590 19.000 0.065 0.000 1.093 273 A HN 2.663 nan 8.150 nan 0.000 0.498 274 G N 0.652 109.480 108.800 0.047 0.000 2.369 274 G HA2 0.420 4.365 3.960 -0.025 0.000 0.287 274 G HA3 0.420 4.365 3.960 -0.025 0.000 0.287 274 G C 0.194 175.123 174.900 0.048 0.000 1.009 274 G CA 0.783 45.908 45.100 0.042 0.000 1.393 274 G HN 1.281 nan 8.290 nan 0.000 0.432 275 T N 0.300 114.883 114.554 0.048 0.000 2.985 275 T HA 0.353 4.688 4.350 -0.025 0.000 0.315 275 T C -0.174 174.546 174.700 0.033 0.000 1.001 275 T CA -1.235 60.893 62.100 0.047 0.000 1.016 275 T CB 0.940 69.850 68.868 0.071 0.000 0.993 275 T HN 0.535 nan 8.240 nan 0.000 0.454 276 N N 3.637 122.352 118.700 0.025 0.000 2.529 276 N HA 0.251 4.977 4.740 -0.025 0.000 0.278 276 N C -0.362 175.160 175.510 0.020 0.000 1.146 276 N CA -0.731 52.332 53.050 0.021 0.000 0.980 276 N CB 1.497 39.995 38.487 0.018 0.000 1.124 276 N HN 0.632 nan 8.380 nan 0.000 0.458 277 I N 1.767 122.354 120.570 0.029 0.000 2.257 277 I HA -0.008 4.147 4.170 -0.025 0.000 0.290 277 I C 1.494 177.644 176.117 0.055 0.000 1.137 277 I CA -0.398 60.934 61.300 0.054 0.000 1.255 277 I CB 0.066 38.108 38.000 0.070 0.000 1.485 277 I HN 0.659 nan 8.210 nan 0.000 0.534 278 T N 1.036 115.606 114.554 0.027 0.000 3.055 278 T HA -0.048 4.287 4.350 -0.025 0.000 0.265 278 T C 1.079 175.770 174.700 -0.015 0.000 1.111 278 T CA 0.310 62.414 62.100 0.005 0.000 1.118 278 T CB 0.074 68.938 68.868 -0.007 0.000 0.909 278 T HN 0.432 nan 8.240 nan 0.000 0.501 279 R N 1.195 121.685 120.500 -0.017 0.000 2.486 279 R HA 0.414 4.739 4.340 -0.025 0.000 0.286 279 R C -0.783 175.406 176.300 -0.184 0.000 0.999 279 R CA -0.424 55.587 56.100 -0.149 0.000 0.993 279 R CB 0.803 30.937 30.300 -0.277 0.000 1.084 279 R HN 0.089 nan 8.270 nan 0.000 0.487 280 T N 3.348 117.731 114.554 -0.285 0.000 2.913 280 T HA 0.398 4.733 4.350 -0.025 0.000 0.287 280 T C -0.722 173.686 174.700 -0.486 0.000 1.008 280 T CA 0.133 62.113 62.100 -0.200 0.000 1.067 280 T CB 0.444 69.230 68.868 -0.136 0.000 0.996 280 T HN 0.338 nan 8.240 nan 0.000 0.513 281 F N -0.611 119.315 119.950 -0.041 0.000 2.675 281 F HA 0.396 4.909 4.527 -0.024 0.000 0.324 281 F C 1.251 177.003 175.800 -0.079 0.000 1.106 281 F CA -1.092 56.882 58.000 -0.044 0.000 0.970 281 F CB 0.808 39.794 39.000 -0.023 0.000 1.385 281 F HN 0.255 nan 8.300 nan 0.000 0.489 282 V N -0.287 119.700 119.914 0.121 0.000 2.295 282 V HA -0.196 3.909 4.120 -0.025 0.000 0.246 282 V C 0.210 176.115 176.094 -0.314 0.000 1.049 282 V CA 1.521 63.745 62.300 -0.126 0.000 1.024 282 V CB -0.647 31.092 31.823 -0.139 0.000 0.648 282 V HN 0.483 nan 8.190 nan 0.000 0.447 283 H N -0.280 118.848 119.070 0.097 0.000 2.762 283 H HA 0.358 4.899 4.556 -0.025 0.000 0.310 283 H C -2.629 172.733 175.328 0.058 0.000 1.004 283 H CA -2.271 53.807 56.048 0.050 0.000 1.267 283 H CB 1.419 31.186 29.762 0.009 0.000 1.437 283 H HN 0.242 nan 8.280 nan 0.000 0.498 284 P HA 0.129 nan 4.420 nan 0.000 0.271 284 P C -0.316 177.025 177.300 0.067 0.000 1.216 284 P CA 0.221 63.396 63.100 0.125 0.000 0.771 284 P CB 0.951 32.712 31.700 0.102 0.000 0.864 285 T N 0.980 115.542 114.554 0.012 0.000 2.889 285 T HA 0.187 4.522 4.350 -0.025 0.000 0.315 285 T C 0.942 175.623 174.700 -0.033 0.000 1.291 285 T CA -0.377 61.712 62.100 -0.018 0.000 1.028 285 T CB 1.366 70.203 68.868 -0.052 0.000 1.235 285 T HN -0.003 nan 8.240 nan 0.000 0.491 286 S N 1.129 116.815 115.700 -0.023 0.000 2.461 286 S HA 0.003 4.458 4.470 -0.025 0.000 0.228 286 S C 0.926 175.505 174.600 -0.035 0.000 1.005 286 S CA 0.309 58.497 58.200 -0.020 0.000 0.942 286 S CB -0.301 62.892 63.200 -0.011 0.000 0.776 286 S HN 0.664 nan 8.310 nan 0.000 0.514 287 N N 1.843 120.511 118.700 -0.052 0.000 2.434 287 N HA -0.005 4.720 4.740 -0.025 0.000 0.268 287 N C 1.106 176.575 175.510 -0.068 0.000 1.256 287 N CA -0.083 52.929 53.050 -0.063 0.000 0.914 287 N CB 0.434 38.873 38.487 -0.080 0.000 1.088 287 N HN -0.065 nan 8.380 nan 0.000 0.478 288 K N 2.506 122.889 120.400 -0.029 0.000 2.057 288 K HA -0.152 4.153 4.320 -0.025 0.000 0.206 288 K C 1.497 178.167 176.600 0.117 0.000 1.050 288 K CA 1.527 57.838 56.287 0.041 0.000 0.935 288 K CB -0.158 32.395 32.500 0.089 0.000 0.715 288 K HN 0.647 nan 8.250 nan 0.000 0.439 289 Q N 0.769 120.565 119.800 -0.008 0.000 2.084 289 Q HA 0.001 4.326 4.340 -0.025 0.000 0.202 289 Q C 2.223 178.201 176.000 -0.037 0.000 0.978 289 Q CA 0.987 56.750 55.803 -0.067 0.000 0.844 289 Q CB -0.241 28.340 28.738 -0.261 0.000 0.898 289 Q HN 0.213 nan 8.270 nan 0.000 0.426 290 L N -0.684 120.481 121.223 -0.096 0.000 2.083 290 L HA -0.229 4.096 4.340 -0.025 0.000 0.209 290 L C 2.243 179.001 176.870 -0.187 0.000 1.083 290 L CA 0.713 55.477 54.840 -0.127 0.000 0.752 290 L CB -0.477 41.503 42.059 -0.131 0.000 0.899 290 L HN 0.382 nan 8.230 nan 0.000 0.433 291 C N -0.643 118.502 119.300 -0.259 0.000 2.429 291 C HA -0.177 4.269 4.460 -0.025 0.000 0.277 291 C C 2.615 177.325 174.990 -0.466 0.000 1.262 291 C CA 0.435 59.086 59.018 -0.611 0.000 1.733 291 C CB -1.001 26.381 27.740 -0.597 0.000 2.010 291 C HN 0.397 nan 8.230 nan 0.000 0.483 292 F N 0.268 120.086 119.950 -0.219 0.000 2.134 292 F HA -0.189 4.324 4.527 -0.023 0.000 0.299 292 F C 2.469 178.260 175.800 -0.016 0.000 1.097 292 F CA 1.840 59.792 58.000 -0.080 0.000 1.264 292 F CB -0.633 38.316 39.000 -0.085 0.000 1.001 292 F HN 0.088 nan 8.300 nan 0.000 0.479 293 M N 0.176 119.834 119.600 0.096 0.000 2.117 293 M HA -0.236 4.229 4.480 -0.025 0.000 0.262 293 M C 2.093 178.416 176.300 0.038 0.000 1.065 293 M CA 1.786 57.115 55.300 0.049 0.000 1.114 293 M CB -0.555 32.020 32.600 -0.042 0.000 1.361 293 M HN 0.142 nan 8.290 nan 0.000 0.408 294 Q N -1.825 117.963 119.800 -0.020 0.000 2.124 294 Q HA -0.245 4.080 4.340 -0.025 0.000 0.202 294 Q C 2.085 178.202 176.000 0.194 0.000 0.977 294 Q CA 1.867 57.708 55.803 0.064 0.000 0.850 294 Q CB -0.513 28.261 28.738 0.061 0.000 0.901 294 Q HN 0.716 nan 8.270 nan 0.000 0.429 295 H N 0.801 119.966 119.070 0.158 0.000 2.353 295 H HA -0.092 4.449 4.556 -0.025 0.000 0.300 295 H C 1.797 177.190 175.328 0.108 0.000 1.090 295 H CA 1.752 57.912 56.048 0.188 0.000 1.327 295 H CB -0.106 29.715 29.762 0.098 0.000 1.383 295 H HN 0.144 nan 8.280 nan 0.000 0.508 296 I N -0.024 120.617 120.570 0.119 0.000 2.226 296 I HA -0.249 3.906 4.170 -0.025 0.000 0.245 296 I C 2.210 178.347 176.117 0.033 0.000 1.100 296 I CA 1.319 62.665 61.300 0.076 0.000 1.374 296 I CB -0.258 37.865 38.000 0.205 0.000 1.057 296 I HN 0.317 nan 8.210 nan 0.000 0.413 297 I N 0.548 121.155 120.570 0.061 0.000 2.226 297 I HA -0.284 3.871 4.170 -0.025 0.000 0.245 297 I C 2.623 178.738 176.117 -0.003 0.000 1.100 297 I CA 1.389 62.724 61.300 0.059 0.000 1.374 297 I CB -0.344 37.669 38.000 0.021 0.000 1.057 297 I HN 0.236 nan 8.210 nan 0.000 0.413 298 E N 1.213 121.377 120.200 -0.060 0.000 2.051 298 E HA -0.221 4.114 4.350 -0.025 0.000 0.192 298 E C 2.160 178.653 176.600 -0.178 0.000 0.991 298 E CA 2.469 58.806 56.400 -0.104 0.000 0.799 298 E CB -0.311 29.320 29.700 -0.115 0.000 0.748 298 E HN 0.540 nan 8.360 nan 0.000 0.449 299 T N -0.877 113.496 114.554 -0.302 0.000 2.867 299 T HA -0.067 4.268 4.350 -0.025 0.000 0.268 299 T C 1.134 175.667 174.700 -0.280 0.000 1.057 299 T CA 0.490 62.399 62.100 -0.318 0.000 1.136 299 T CB -0.531 68.113 68.868 -0.374 0.000 0.874 299 T HN 0.070 nan 8.240 nan 0.000 0.466 300 L N 2.451 123.579 121.223 -0.157 0.000 2.514 300 L HA 0.145 4.470 4.340 -0.025 0.000 0.280 300 L C 1.111 177.912 176.870 -0.114 0.000 1.223 300 L CA -0.343 54.442 54.840 -0.091 0.000 0.864 300 L CB 0.158 42.254 42.059 0.062 0.000 1.118 300 L HN 0.391 nan 8.230 nan 0.000 0.494 301 H N 2.531 121.602 119.070 0.002 0.000 2.603 301 H HA 0.192 4.733 4.556 -0.025 0.000 0.370 301 H C -2.046 173.325 175.328 0.072 0.000 1.225 301 H CA -1.781 54.276 56.048 0.015 0.000 1.410 301 H CB 0.479 30.242 29.762 0.002 0.000 1.495 301 H HN 0.312 nan 8.280 nan 0.000 0.602 302 P HA 0.019 nan 4.420 nan 0.000 0.267 302 P C 0.736 178.145 177.300 0.182 0.000 1.205 302 P CA 0.912 64.109 63.100 0.161 0.000 0.765 302 P CB 0.306 32.079 31.700 0.121 0.000 0.828 303 G N 2.003 110.912 108.800 0.181 0.000 2.143 303 G HA2 -0.160 3.785 3.960 -0.025 0.000 0.248 303 G HA3 -0.160 3.785 3.960 -0.025 0.000 0.248 303 G C 0.609 175.678 174.900 0.281 0.000 0.991 303 G CA -0.155 45.069 45.100 0.206 0.000 0.689 303 G HN 0.870 nan 8.290 nan 0.000 0.522 304 G N -0.983 107.970 108.800 0.255 0.000 2.580 304 G HA2 0.681 4.626 3.960 -0.025 0.000 0.278 304 G HA3 0.681 4.626 3.960 -0.025 0.000 0.278 304 G C 0.057 175.077 174.900 0.199 0.000 1.212 304 G CA -0.501 44.740 45.100 0.235 0.000 0.939 304 G HN 0.571 nan 8.290 nan 0.000 0.513 305 R N -1.433 119.126 120.500 0.099 0.000 2.774 305 R HA 0.727 5.052 4.340 -0.025 0.000 0.272 305 R C -0.909 175.328 176.300 -0.105 0.000 1.000 305 R CA -0.558 55.543 56.100 0.001 0.000 0.906 305 R CB 2.438 32.695 30.300 -0.071 0.000 1.227 305 R HN 0.877 nan 8.270 nan 0.000 0.468 306 A N 0.505 123.132 122.820 -0.322 0.000 2.597 306 A HA 0.793 5.098 4.320 -0.025 0.000 0.292 306 A C -1.930 175.339 177.584 -0.524 0.000 1.057 306 A CA -0.521 51.299 52.037 -0.362 0.000 0.674 306 A CB 1.811 20.614 19.000 -0.328 0.000 1.278 306 A HN 0.719 nan 8.150 nan 0.000 0.416 307 A N 0.337 122.930 122.820 -0.378 0.000 2.356 307 A HA 0.761 5.067 4.320 -0.025 0.000 0.310 307 A C -1.115 176.231 177.584 -0.397 0.000 1.075 307 A CA -0.517 51.209 52.037 -0.519 0.000 0.746 307 A CB 1.382 20.123 19.000 -0.431 0.000 1.221 307 A HN 1.642 nan 8.150 nan 0.000 0.443 308 V N 2.675 122.371 119.914 -0.363 0.000 2.588 308 V HA 0.370 4.475 4.120 -0.025 0.000 0.304 308 V C -0.212 175.763 176.094 -0.199 0.000 1.042 308 V CA -0.673 61.495 62.300 -0.220 0.000 0.877 308 V CB 1.815 33.591 31.823 -0.077 0.000 0.996 308 V HN 0.686 nan 8.190 nan 0.000 0.425 309 V N 5.754 125.580 119.914 -0.148 0.000 2.488 309 V HA 0.516 4.621 4.120 -0.025 0.000 0.277 309 V C 0.102 176.129 176.094 -0.111 0.000 1.046 309 V CA -0.072 62.195 62.300 -0.054 0.000 0.986 309 V CB 1.336 33.209 31.823 0.085 0.000 0.989 309 V HN 0.771 nan 8.190 nan 0.000 0.475 310 V N 3.909 123.745 119.914 -0.130 0.000 3.078 310 V HA 0.773 4.878 4.120 -0.025 0.000 0.311 310 V C -2.802 173.126 176.094 -0.276 0.000 1.138 310 V CA -2.601 59.520 62.300 -0.298 0.000 1.007 310 V CB 2.335 34.008 31.823 -0.249 0.000 1.045 310 V HN 0.600 nan 8.190 nan 0.000 0.432 311 P HA 0.317 nan 4.420 nan 0.000 0.274 311 P C -0.291 176.884 177.300 -0.207 0.000 1.246 311 P CA 0.030 62.976 63.100 -0.257 0.000 0.795 311 P CB 0.813 32.227 31.700 -0.476 0.000 1.006 312 D N 0.043 120.356 120.400 -0.144 0.000 2.263 312 D HA -0.141 4.484 4.640 -0.025 0.000 0.208 312 D C 1.457 177.545 176.300 -0.352 0.000 0.971 312 D CA 1.066 54.936 54.000 -0.216 0.000 0.867 312 D CB -0.419 40.270 40.800 -0.185 0.000 0.929 312 D HN 0.312 nan 8.370 nan 0.000 0.492 313 N N 0.003 118.517 118.700 -0.310 0.000 2.060 313 N HA -0.147 4.578 4.740 -0.025 0.000 0.195 313 N C 1.852 177.141 175.510 -0.369 0.000 1.028 313 N CA 0.757 53.604 53.050 -0.339 0.000 0.861 313 N CB -0.657 37.691 38.487 -0.233 0.000 1.029 313 N HN 0.153 nan 8.380 nan 0.000 0.428 314 V N 1.720 121.453 119.914 -0.301 0.000 2.490 314 V HA -0.162 3.943 4.120 -0.025 0.000 0.250 314 V C 2.371 178.323 176.094 -0.236 0.000 1.061 314 V CA 1.039 63.196 62.300 -0.239 0.000 1.064 314 V CB -0.623 31.074 31.823 -0.209 0.000 0.670 314 V HN 0.231 nan 8.190 nan 0.000 0.461 315 L N -0.079 120.965 121.223 -0.298 0.000 1.970 315 L HA -0.189 4.136 4.340 -0.025 0.000 0.212 315 L C 2.493 179.272 176.870 -0.152 0.000 1.071 315 L CA 2.250 56.956 54.840 -0.224 0.000 0.751 315 L CB -0.763 41.158 42.059 -0.229 0.000 0.889 315 L HN 0.552 nan 8.230 nan 0.000 0.432 316 F N -0.385 119.521 119.950 -0.074 0.000 2.530 316 F HA 0.224 4.736 4.527 -0.026 0.000 0.292 316 F C 1.132 176.885 175.800 -0.078 0.000 1.109 316 F CA -0.975 56.979 58.000 -0.076 0.000 1.450 316 F CB -1.297 37.659 39.000 -0.074 0.000 1.114 316 F HN -0.038 nan 8.300 nan 0.000 0.560 317 E N 1.869 122.242 120.200 0.288 0.000 2.966 317 E HA 0.169 4.504 4.350 -0.025 0.000 0.254 317 E C 0.894 177.557 176.600 0.105 0.000 0.923 317 E CA 0.381 56.922 56.400 0.236 0.000 0.960 317 E CB 0.176 29.908 29.700 0.053 0.000 0.901 317 E HN 0.498 nan 8.360 nan 0.000 0.525 318 G N 2.883 111.727 108.800 0.073 0.000 2.535 318 G HA2 0.502 4.447 3.960 -0.025 0.000 0.282 318 G HA3 0.502 4.447 3.960 -0.025 0.000 0.282 318 G C 0.629 175.519 174.900 -0.017 0.000 1.350 318 G CA -0.101 45.001 45.100 0.003 0.000 1.039 318 G HN 1.019 nan 8.290 nan 0.000 0.509 319 G N -0.326 108.454 108.800 -0.033 0.000 2.531 319 G HA2 -0.278 3.667 3.960 -0.025 0.000 0.274 319 G HA3 -0.278 3.667 3.960 -0.025 0.000 0.274 319 G C 1.263 176.128 174.900 -0.057 0.000 1.159 319 G CA 0.668 45.746 45.100 -0.037 0.000 0.969 319 G HN 0.687 nan 8.290 nan 0.000 0.554 320 K N 1.664 122.031 120.400 -0.056 0.000 2.147 320 K HA -0.036 4.269 4.320 -0.025 0.000 0.205 320 K C 2.768 179.297 176.600 -0.117 0.000 1.049 320 K CA 1.899 58.134 56.287 -0.086 0.000 0.936 320 K CB -1.121 31.353 32.500 -0.043 0.000 0.722 320 K HN 0.732 nan 8.250 nan 0.000 0.446 321 G N 0.838 109.590 108.800 -0.079 0.000 2.442 321 G HA2 -0.255 3.690 3.960 -0.025 0.000 0.219 321 G HA3 -0.255 3.690 3.960 -0.025 0.000 0.219 321 G C 1.540 176.384 174.900 -0.094 0.000 1.141 321 G CA 1.445 46.497 45.100 -0.080 0.000 0.763 321 G HN 0.266 nan 8.290 nan 0.000 0.554 322 T N 0.971 115.474 114.554 -0.085 0.000 2.746 322 T HA -0.077 4.258 4.350 -0.025 0.000 0.267 322 T C 1.998 176.614 174.700 -0.140 0.000 1.039 322 T CA 1.381 63.428 62.100 -0.089 0.000 1.142 322 T CB -0.248 68.576 68.868 -0.074 0.000 0.866 322 T HN 0.218 nan 8.240 nan 0.000 0.444 323 D N 1.062 121.333 120.400 -0.215 0.000 2.097 323 D HA -0.021 4.604 4.640 -0.025 0.000 0.195 323 D C 2.134 178.190 176.300 -0.408 0.000 0.989 323 D CA 0.906 54.682 54.000 -0.374 0.000 0.827 323 D CB -0.291 40.117 40.800 -0.652 0.000 0.966 323 D HN 0.364 nan 8.370 nan 0.000 0.456 324 I N 0.829 121.203 120.570 -0.327 0.000 2.226 324 I HA -0.226 3.929 4.170 -0.025 0.000 0.245 324 I C 2.608 178.652 176.117 -0.121 0.000 1.100 324 I CA 0.932 62.128 61.300 -0.173 0.000 1.374 324 I CB -0.143 37.791 38.000 -0.109 0.000 1.057 324 I HN -0.102 nan 8.210 nan 0.000 0.413 325 R N 0.578 121.005 120.500 -0.122 0.000 2.081 325 R HA -0.133 4.192 4.340 -0.025 0.000 0.235 325 R C 2.473 178.723 176.300 -0.084 0.000 1.131 325 R CA 1.319 57.358 56.100 -0.101 0.000 0.960 325 R CB -0.298 29.953 30.300 -0.082 0.000 0.856 325 R HN 0.370 nan 8.270 nan 0.000 0.436 326 R N 0.241 120.691 120.500 -0.084 0.000 2.096 326 R HA -0.144 4.181 4.340 -0.025 0.000 0.235 326 R C 1.892 178.173 176.300 -0.032 0.000 1.127 326 R CA 1.568 57.636 56.100 -0.053 0.000 0.968 326 R CB -0.338 29.929 30.300 -0.055 0.000 0.861 326 R HN 0.195 nan 8.270 nan 0.000 0.440 327 D N 0.706 121.088 120.400 -0.031 0.000 2.117 327 D HA -0.157 4.468 4.640 -0.025 0.000 0.197 327 D C 1.737 178.029 176.300 -0.014 0.000 0.987 327 D CA 0.733 54.747 54.000 0.024 0.000 0.829 327 D CB 0.034 40.893 40.800 0.099 0.000 0.961 327 D HN 0.018 nan 8.370 nan 0.000 0.460 328 L N -0.022 121.160 121.223 -0.069 0.000 2.017 328 L HA -0.075 4.251 4.340 -0.025 0.000 0.208 328 L C 2.282 179.088 176.870 -0.107 0.000 1.073 328 L CA 1.658 56.412 54.840 -0.143 0.000 0.745 328 L CB -0.511 41.412 42.059 -0.227 0.000 0.894 328 L HN 0.111 nan 8.230 nan 0.000 0.432 329 M N -1.095 118.469 119.600 -0.060 0.000 2.175 329 M HA -0.174 4.291 4.480 -0.025 0.000 0.264 329 M C 1.830 178.148 176.300 0.030 0.000 1.063 329 M CA 1.514 56.807 55.300 -0.011 0.000 1.119 329 M CB -0.599 32.003 32.600 0.004 0.000 1.377 329 M HN 0.264 nan 8.290 nan 0.000 0.415 330 D N 0.828 121.243 120.400 0.025 0.000 2.078 330 D HA -0.117 4.508 4.640 -0.025 0.000 0.193 330 D C 1.953 178.288 176.300 0.058 0.000 0.990 330 D CA 1.408 55.436 54.000 0.046 0.000 0.827 330 D CB -0.146 40.678 40.800 0.041 0.000 0.975 330 D HN 0.334 nan 8.370 nan 0.000 0.451 331 K N -0.502 119.923 120.400 0.042 0.000 2.062 331 K HA -0.007 4.298 4.320 -0.025 0.000 0.205 331 K C 0.929 177.580 176.600 0.085 0.000 1.051 331 K CA 0.497 56.817 56.287 0.054 0.000 0.941 331 K CB 0.221 32.742 32.500 0.036 0.000 0.719 331 K HN 0.133 nan 8.250 nan 0.000 0.440 332 C N -0.226 119.112 119.300 0.064 0.000 2.486 332 C HA 0.263 4.708 4.460 -0.025 0.000 0.348 332 C C -0.003 175.121 174.990 0.223 0.000 1.203 332 C CA -1.052 58.055 59.018 0.149 0.000 1.911 332 C CB 1.053 28.812 27.740 0.032 0.000 2.340 332 C HN 0.428 nan 8.230 nan 0.000 0.511 333 H N 1.990 121.219 119.070 0.265 0.000 2.724 333 H HA 0.378 4.919 4.556 -0.024 0.000 0.278 333 H C -1.174 174.406 175.328 0.420 0.000 1.159 333 H CA -0.456 55.767 56.048 0.292 0.000 1.254 333 H CB 0.674 30.612 29.762 0.293 0.000 1.412 333 H HN 0.555 nan 8.280 nan 0.000 0.488 334 L N 8.217 129.455 121.223 0.024 0.000 2.312 334 L HA 0.087 4.412 4.340 -0.025 0.000 0.287 334 L C 1.361 178.195 176.870 -0.061 0.000 1.091 334 L CA -0.151 54.735 54.840 0.077 0.000 0.846 334 L CB -0.035 42.052 42.059 0.046 0.000 1.219 334 L HN 0.675 nan 8.230 nan 0.000 0.439 335 H N 1.316 120.413 119.070 0.044 0.000 2.355 335 H HA 0.209 4.751 4.556 -0.024 0.000 0.303 335 H C -0.185 175.358 175.328 0.359 0.000 1.061 335 H CA 0.399 56.535 56.048 0.147 0.000 1.368 335 H CB -0.104 29.829 29.762 0.285 0.000 1.412 335 H HN 0.471 nan 8.280 nan 0.000 0.523 336 T N 1.407 116.033 114.554 0.121 0.000 2.906 336 T HA 0.640 4.975 4.350 -0.025 0.000 0.295 336 T C -0.349 174.655 174.700 0.507 0.000 1.061 336 T CA -0.627 61.735 62.100 0.437 0.000 1.000 336 T CB 2.446 71.666 68.868 0.588 0.000 1.103 336 T HN 0.133 nan 8.240 nan 0.000 0.486 337 I N 2.269 123.144 120.570 0.509 0.000 2.619 337 I HA 0.498 4.653 4.170 -0.025 0.000 0.292 337 I C -1.457 174.927 176.117 0.444 0.000 1.100 337 I CA -1.014 60.542 61.300 0.426 0.000 1.043 337 I CB 2.194 40.352 38.000 0.262 0.000 1.239 337 I HN 0.317 nan 8.210 nan 0.000 0.420 338 L N 6.433 127.868 121.223 0.352 0.000 2.333 338 L HA 0.543 4.868 4.340 -0.025 0.000 0.280 338 L C -0.445 176.485 176.870 0.101 0.000 1.004 338 L CA -0.252 54.687 54.840 0.165 0.000 0.820 338 L CB 1.474 43.460 42.059 -0.122 0.000 1.247 338 L HN 0.542 nan 8.230 nan 0.000 0.416 339 R N 5.172 125.727 120.500 0.093 0.000 2.229 339 R HA 0.541 4.866 4.340 -0.025 0.000 0.332 339 R C -1.094 175.205 176.300 -0.003 0.000 0.989 339 R CA -0.564 55.547 56.100 0.020 0.000 0.842 339 R CB 0.581 30.860 30.300 -0.034 0.000 1.119 339 R HN 0.736 nan 8.270 nan 0.000 0.456 340 L N 6.405 127.615 121.223 -0.022 0.000 2.418 340 L HA 0.450 4.775 4.340 -0.025 0.000 0.265 340 L C -1.740 175.075 176.870 -0.091 0.000 1.143 340 L CA -2.027 52.773 54.840 -0.066 0.000 0.809 340 L CB 1.006 43.037 42.059 -0.046 0.000 1.124 340 L HN 0.501 nan 8.230 nan 0.000 0.456 341 P HA 0.175 nan 4.420 nan 0.000 0.279 341 P C -0.812 176.408 177.300 -0.133 0.000 1.282 341 P CA -0.372 62.650 63.100 -0.131 0.000 0.788 341 P CB 0.671 32.293 31.700 -0.131 0.000 1.139 342 T N -5.816 108.708 114.554 -0.050 0.000 2.950 342 T HA 0.590 4.925 4.350 -0.025 0.000 0.288 342 T C 0.888 175.585 174.700 -0.005 0.000 1.035 342 T CA 0.034 62.117 62.100 -0.029 0.000 1.028 342 T CB 0.955 69.818 68.868 -0.009 0.000 1.109 342 T HN 0.763 nan 8.240 nan 0.000 0.514 343 G N 0.775 109.570 108.800 -0.009 0.000 2.194 343 G HA2 -0.302 3.643 3.960 -0.025 0.000 0.236 343 G HA3 -0.302 3.643 3.960 -0.025 0.000 0.236 343 G C 0.847 175.720 174.900 -0.045 0.000 0.987 343 G CA 0.409 45.515 45.100 0.011 0.000 0.635 343 G HN 1.329 nan 8.290 nan 0.000 0.520 344 I N -2.410 118.038 120.570 -0.203 0.000 2.252 344 I HA 0.346 4.501 4.170 -0.025 0.000 0.245 344 I C 1.618 177.573 176.117 -0.270 0.000 1.102 344 I CA 0.420 61.469 61.300 -0.418 0.000 1.385 344 I CB -0.334 37.137 38.000 -0.882 0.000 1.064 344 I HN 0.030 nan 8.210 nan 0.000 0.414 345 F N 0.645 120.577 119.950 -0.030 0.000 2.375 345 F HA 0.187 4.696 4.527 -0.030 0.000 0.313 345 F C 1.596 177.444 175.800 0.081 0.000 1.176 345 F CA -0.460 57.622 58.000 0.137 0.000 1.142 345 F CB 0.092 39.084 39.000 -0.014 0.000 1.275 345 F HN 0.020 nan 8.300 nan 0.000 0.544 346 Y N 1.210 121.640 120.300 0.217 0.000 2.181 346 Y HA 0.147 4.687 4.550 -0.016 0.000 0.288 346 Y C 0.843 176.729 175.900 -0.024 0.000 1.146 346 Y CA 0.075 58.135 58.100 -0.066 0.000 1.164 346 Y CB -1.121 37.265 38.460 -0.122 0.000 0.982 346 Y HN 0.318 nan 8.280 nan 0.000 0.515 347 A N 2.398 124.764 122.820 -0.756 0.000 2.401 347 A HA 0.170 4.475 4.320 -0.025 0.000 0.259 347 A C 1.312 178.710 177.584 -0.310 0.000 1.103 347 A CA -0.255 51.317 52.037 -0.775 0.000 0.789 347 A CB 0.612 19.268 19.000 -0.573 0.000 1.035 347 A HN 0.560 nan 8.150 nan 0.000 0.491 348 Q N 2.477 122.122 119.800 -0.257 0.000 2.062 348 Q HA -0.081 4.244 4.340 -0.025 0.000 0.196 348 Q C 1.952 177.889 176.000 -0.104 0.000 0.967 348 Q CA 2.138 57.857 55.803 -0.139 0.000 0.832 348 Q CB -0.478 28.189 28.738 -0.119 0.000 0.899 348 Q HN 0.948 nan 8.270 nan 0.000 0.442 349 G N 0.980 109.710 108.800 -0.116 0.000 2.422 349 G HA2 -0.100 3.845 3.960 -0.025 0.000 0.218 349 G HA3 -0.100 3.845 3.960 -0.025 0.000 0.218 349 G C 0.709 175.562 174.900 -0.078 0.000 1.140 349 G CA 0.830 45.881 45.100 -0.083 0.000 0.775 349 G HN 0.326 nan 8.290 nan 0.000 0.545 350 V N -0.949 118.897 119.914 -0.113 0.000 2.599 350 V HA 0.364 4.470 4.120 -0.025 0.000 0.300 350 V C -0.181 175.862 176.094 -0.086 0.000 1.034 350 V CA -0.926 61.304 62.300 -0.116 0.000 1.115 350 V CB 0.540 32.214 31.823 -0.249 0.000 0.934 350 V HN 0.173 nan 8.190 nan 0.000 0.485 351 K N 3.930 124.300 120.400 -0.051 0.000 2.156 351 K HA 0.667 4.973 4.320 -0.025 0.000 0.271 351 K C 0.233 176.819 176.600 -0.024 0.000 0.995 351 K CA -0.152 56.110 56.287 -0.041 0.000 0.890 351 K CB 1.783 34.254 32.500 -0.048 0.000 1.073 351 K HN 1.073 nan 8.250 nan 0.000 0.454 352 T N -0.440 114.105 114.554 -0.014 0.000 2.883 352 T HA 0.571 4.906 4.350 -0.025 0.000 0.296 352 T C -0.655 174.050 174.700 0.008 0.000 1.117 352 T CA -1.048 61.062 62.100 0.016 0.000 1.006 352 T CB 1.417 70.285 68.868 0.000 0.000 1.191 352 T HN 0.614 nan 8.240 nan 0.000 0.508 353 N N -1.058 117.646 118.700 0.006 0.000 2.732 353 N HA 0.683 5.409 4.740 -0.025 0.000 0.259 353 N C -1.869 173.642 175.510 0.002 0.000 1.402 353 N CA -0.972 52.081 53.050 0.004 0.000 0.829 353 N CB 2.445 40.920 38.487 -0.020 0.000 1.495 353 N HN 0.570 nan 8.380 nan 0.000 0.511 354 V N 1.362 121.286 119.914 0.018 0.000 2.531 354 V HA 0.472 4.577 4.120 -0.025 0.000 0.301 354 V C -0.767 175.240 176.094 -0.144 0.000 1.034 354 V CA -0.670 61.579 62.300 -0.086 0.000 0.865 354 V CB 1.476 33.280 31.823 -0.031 0.000 0.995 354 V HN 0.428 nan 8.190 nan 0.000 0.424 355 L N 4.562 125.597 121.223 -0.312 0.000 2.322 355 L HA 0.667 4.992 4.340 -0.025 0.000 0.279 355 L C -1.192 175.359 176.870 -0.533 0.000 1.036 355 L CA -0.323 54.427 54.840 -0.150 0.000 0.807 355 L CB 1.623 43.733 42.059 0.085 0.000 1.226 355 L HN 0.477 nan 8.230 nan 0.000 0.433 356 F N 3.170 123.146 119.950 0.043 0.000 2.518 356 F HA 0.630 5.142 4.527 -0.025 0.000 0.323 356 F C -0.178 175.427 175.800 -0.324 0.000 1.129 356 F CA -0.676 57.224 58.000 -0.167 0.000 0.920 356 F CB 1.601 40.552 39.000 -0.081 0.000 1.160 356 F HN 0.266 nan 8.300 nan 0.000 0.440 357 F N -1.043 118.974 119.950 0.112 0.000 2.779 357 F HA 0.851 5.363 4.527 -0.026 0.000 0.316 357 F C -1.211 174.841 175.800 0.421 0.000 1.164 357 F CA -1.088 57.059 58.000 0.247 0.000 0.924 357 F CB 1.309 40.380 39.000 0.117 0.000 1.348 357 F HN 0.205 nan 8.300 nan 0.000 0.467 358 T N 0.323 115.308 114.554 0.719 0.000 2.907 358 T HA 0.439 4.774 4.350 -0.025 0.000 0.292 358 T C -1.230 173.780 174.700 0.517 0.000 1.043 358 T CA -0.841 61.578 62.100 0.531 0.000 1.003 358 T CB 1.755 70.951 68.868 0.547 0.000 1.084 358 T HN 0.737 nan 8.240 nan 0.000 0.483 359 K N 1.752 122.380 120.400 0.380 0.000 2.338 359 K HA 0.505 4.810 4.320 -0.025 0.000 0.290 359 K C 1.022 177.764 176.600 0.237 0.000 1.069 359 K CA 1.024 57.488 56.287 0.295 0.000 0.941 359 K CB -0.585 32.050 32.500 0.225 0.000 1.023 359 K HN 0.891 nan 8.250 nan 0.000 0.477 360 G N 2.828 111.755 108.800 0.211 0.000 2.547 360 G HA2 -0.296 3.649 3.960 -0.025 0.000 0.271 360 G HA3 -0.296 3.649 3.960 -0.025 0.000 0.271 360 G C -0.340 174.661 174.900 0.169 0.000 1.209 360 G CA 0.128 45.325 45.100 0.160 0.000 0.959 360 G HN 1.114 nan 8.290 nan 0.000 0.563 361 T N -3.575 111.031 114.554 0.087 0.000 2.901 361 T HA 0.677 5.012 4.350 -0.025 0.000 0.293 361 T C 1.193 175.869 174.700 -0.041 0.000 1.084 361 T CA 0.327 62.432 62.100 0.008 0.000 1.008 361 T CB 1.787 70.628 68.868 -0.045 0.000 1.170 361 T HN 1.232 nan 8.240 nan 0.000 0.509 362 V N 1.372 121.199 119.914 -0.145 0.000 2.295 362 V HA -0.078 4.027 4.120 -0.025 0.000 0.246 362 V C 3.115 179.135 176.094 -0.123 0.000 1.049 362 V CA 2.426 64.596 62.300 -0.217 0.000 1.024 362 V CB -1.528 30.084 31.823 -0.352 0.000 0.648 362 V HN 1.081 nan 8.190 nan 0.000 0.447 363 A N -0.041 122.718 122.820 -0.102 0.000 1.877 363 A HA -0.110 4.195 4.320 -0.025 0.000 0.216 363 A C 1.206 178.769 177.584 -0.036 0.000 1.186 363 A CA 1.452 53.451 52.037 -0.063 0.000 0.620 363 A CB -0.306 18.662 19.000 -0.053 0.000 0.822 363 A HN 0.603 nan 8.150 nan 0.000 0.443 364 N N -0.581 118.104 118.700 -0.024 0.000 2.626 364 N HA 0.288 5.013 4.740 -0.025 0.000 0.249 364 N C -2.599 172.922 175.510 0.019 0.000 1.021 364 N CA -1.228 51.823 53.050 0.001 0.000 0.886 364 N CB 1.693 40.186 38.487 0.010 0.000 1.149 364 N HN 0.004 nan 8.380 nan 0.000 0.517 365 P HA -0.004 nan 4.420 nan 0.000 0.223 365 P C 0.010 177.349 177.300 0.065 0.000 1.151 365 P CA 1.069 64.201 63.100 0.053 0.000 0.787 365 P CB 0.383 32.117 31.700 0.056 0.000 0.788 366 N N 0.240 118.970 118.700 0.050 0.000 3.025 366 N HA 0.067 4.793 4.740 -0.025 0.000 0.315 366 N C -0.206 175.331 175.510 0.046 0.000 1.511 366 N CA 0.006 53.087 53.050 0.050 0.000 1.097 366 N CB 0.449 38.960 38.487 0.040 0.000 1.395 366 N HN 0.275 nan 8.380 nan 0.000 0.511 367 Q N 0.945 120.778 119.800 0.055 0.000 2.340 367 Q HA 0.145 4.471 4.340 -0.025 0.000 0.259 367 Q C -0.032 176.004 176.000 0.059 0.000 0.964 367 Q CA -0.512 55.322 55.803 0.052 0.000 0.900 367 Q CB 1.065 29.835 28.738 0.053 0.000 1.228 367 Q HN 0.134 nan 8.270 nan 0.000 0.449 368 D N 3.238 123.667 120.400 0.048 0.000 2.117 368 D HA -0.027 4.598 4.640 -0.025 0.000 0.198 368 D C -0.219 176.112 176.300 0.052 0.000 0.982 368 D CA 1.423 55.451 54.000 0.047 0.000 0.828 368 D CB 0.497 41.318 40.800 0.036 0.000 0.967 368 D HN 0.444 nan 8.370 nan 0.000 0.464 369 K N -0.554 119.877 120.400 0.051 0.000 2.433 369 K HA 0.268 4.573 4.320 -0.025 0.000 0.252 369 K C -0.335 176.303 176.600 0.063 0.000 1.015 369 K CA -0.753 55.567 56.287 0.054 0.000 0.860 369 K CB 1.798 34.325 32.500 0.044 0.000 1.359 369 K HN -0.287 nan 8.250 nan 0.000 0.452 370 N N -0.264 118.476 118.700 0.067 0.000 2.725 370 N HA -0.199 4.526 4.740 -0.025 0.000 0.249 370 N C 0.403 175.978 175.510 0.109 0.000 1.103 370 N CA 0.559 53.655 53.050 0.077 0.000 0.707 370 N CB -2.208 36.317 38.487 0.063 0.000 1.043 370 N HN 0.584 nan 8.380 nan 0.000 0.553 371 C N -0.410 118.969 119.300 0.132 0.000 2.453 371 C HA -0.040 4.405 4.460 -0.025 0.000 0.277 371 C C 1.432 176.624 174.990 0.337 0.000 1.262 371 C CA 0.801 59.939 59.018 0.201 0.000 1.718 371 C CB -0.532 27.336 27.740 0.214 0.000 2.031 371 C HN 0.486 nan 8.230 nan 0.000 0.480 372 T N 2.566 117.265 114.554 0.240 0.000 2.782 372 T HA 0.104 4.440 4.350 -0.025 0.000 0.298 372 T C 0.849 175.652 174.700 0.171 0.000 0.944 372 T CA 0.016 62.232 62.100 0.193 0.000 1.001 372 T CB 0.382 69.285 68.868 0.058 0.000 0.932 372 T HN 0.580 nan 8.240 nan 0.000 0.524 373 D N 2.542 123.087 120.400 0.241 0.000 2.146 373 D HA -0.018 4.607 4.640 -0.025 0.000 0.209 373 D C 0.047 176.419 176.300 0.120 0.000 0.973 373 D CA 0.752 54.855 54.000 0.172 0.000 0.860 373 D CB 0.306 41.217 40.800 0.184 0.000 1.015 373 D HN 0.332 nan 8.370 nan 0.000 0.465 374 D N -0.271 120.202 120.400 0.122 0.000 2.527 374 D HA 0.489 5.114 4.640 -0.025 0.000 0.233 374 D C -0.880 175.437 176.300 0.029 0.000 1.063 374 D CA -0.612 53.405 54.000 0.028 0.000 0.880 374 D CB 3.318 44.083 40.800 -0.059 0.000 1.457 374 D HN -0.116 nan 8.370 nan 0.000 0.475 375 V N 1.281 121.186 119.914 -0.014 0.000 2.656 375 V HA 0.439 4.544 4.120 -0.025 0.000 0.307 375 V C -0.996 175.095 176.094 -0.005 0.000 1.051 375 V CA -0.841 61.510 62.300 0.084 0.000 0.893 375 V CB 2.010 33.925 31.823 0.154 0.000 0.999 375 V HN 0.465 nan 8.190 nan 0.000 0.426 376 W N 2.530 123.866 121.300 0.061 0.000 2.570 376 W HA 0.792 5.437 4.660 -0.026 0.000 0.337 376 W C -0.553 175.957 176.519 -0.015 0.000 1.067 376 W CA -0.539 56.719 57.345 -0.146 0.000 1.229 376 W CB 1.860 31.078 29.460 -0.404 0.000 1.355 376 W HN 0.325 nan 8.180 nan 0.000 0.555 377 V N 2.467 122.524 119.914 0.239 0.000 2.876 377 V HA 0.392 4.497 4.120 -0.025 0.000 0.312 377 V C -1.677 174.728 176.094 0.519 0.000 1.085 377 V CA -1.303 61.248 62.300 0.419 0.000 0.945 377 V CB 1.950 34.089 31.823 0.526 0.000 1.017 377 V HN 0.354 nan 8.190 nan 0.000 0.428 378 Y N 2.119 122.702 120.300 0.471 0.000 2.361 378 Y HA 0.545 5.079 4.550 -0.025 0.000 0.337 378 Y C -0.439 175.651 175.900 0.317 0.000 0.965 378 Y CA -0.889 57.575 58.100 0.607 0.000 1.091 378 Y CB 1.728 40.714 38.460 0.877 0.000 1.182 378 Y HN 0.710 nan 8.280 nan 0.000 0.450 379 D N 6.665 126.891 120.400 -0.290 0.000 2.500 379 D HA 0.088 4.714 4.640 -0.025 0.000 0.219 379 D C 0.399 176.445 176.300 -0.425 0.000 1.137 379 D CA 0.238 54.038 54.000 -0.333 0.000 0.946 379 D CB 0.551 41.107 40.800 -0.408 0.000 1.022 379 D HN 0.890 nan 8.370 nan 0.000 0.518 380 L N 3.163 124.255 121.223 -0.218 0.000 2.341 380 L HA 0.086 4.411 4.340 -0.025 0.000 0.214 380 L C 2.295 179.108 176.870 -0.095 0.000 1.115 380 L CA 0.264 55.062 54.840 -0.069 0.000 0.820 380 L CB 0.149 42.326 42.059 0.196 0.000 0.944 380 L HN 0.256 nan 8.230 nan 0.000 0.452 381 R N -0.134 120.308 120.500 -0.098 0.000 2.057 381 R HA -0.077 4.248 4.340 -0.025 0.000 0.229 381 R C 0.899 177.161 176.300 -0.063 0.000 1.136 381 R CA 1.366 57.420 56.100 -0.076 0.000 0.952 381 R CB -0.255 29.997 30.300 -0.080 0.000 0.848 381 R HN 0.377 nan 8.270 nan 0.000 0.430 382 T N -0.717 113.785 114.554 -0.087 0.000 2.860 382 T HA 0.014 4.350 4.350 -0.025 0.000 0.299 382 T C 0.319 175.012 174.700 -0.011 0.000 1.045 382 T CA -0.276 61.791 62.100 -0.055 0.000 1.071 382 T CB 0.865 69.685 68.868 -0.079 0.000 0.985 382 T HN 0.502 nan 8.240 nan 0.000 0.537 383 N N 1.289 119.997 118.700 0.014 0.000 2.688 383 N HA -0.147 4.578 4.740 -0.025 0.000 0.258 383 N C -0.924 174.627 175.510 0.067 0.000 1.016 383 N CA 0.420 53.499 53.050 0.049 0.000 0.747 383 N CB -0.702 37.831 38.487 0.077 0.000 0.895 383 N HN 0.613 nan 8.380 nan 0.000 0.543 384 M N 1.023 120.646 119.600 0.039 0.000 2.591 384 M HA 0.485 4.950 4.480 -0.025 0.000 0.306 384 M C -1.973 174.316 176.300 -0.019 0.000 1.190 384 M CA -1.662 53.661 55.300 0.039 0.000 0.889 384 M CB 0.985 33.615 32.600 0.050 0.000 1.728 384 M HN 0.024 nan 8.290 nan 0.000 0.458 385 P HA 0.098 nan 4.420 nan 0.000 0.265 385 P C -0.460 176.591 177.300 -0.415 0.000 1.193 385 P CA -0.057 62.896 63.100 -0.246 0.000 0.765 385 P CB 0.038 31.553 31.700 -0.308 0.000 0.823 386 S N 2.630 118.179 115.700 -0.251 0.000 2.510 386 S HA 0.294 4.749 4.470 -0.025 0.000 0.279 386 S C -0.095 174.329 174.600 -0.292 0.000 1.284 386 S CA -0.516 57.581 58.200 -0.171 0.000 1.059 386 S CB -0.343 62.815 63.200 -0.071 0.000 0.901 386 S HN 0.232 nan 8.310 nan 0.000 0.491 387 F N 1.964 121.902 119.950 -0.019 0.000 2.380 387 F HA 0.793 5.303 4.527 -0.029 0.000 0.321 387 F C 1.327 177.122 175.800 -0.007 0.000 1.103 387 F CA 0.548 58.546 58.000 -0.003 0.000 1.067 387 F CB 1.601 40.592 39.000 -0.016 0.000 1.265 387 F HN 1.063 nan 8.300 nan 0.000 0.517 388 G N 0.792 109.716 108.800 0.206 0.000 2.325 388 G HA2 0.109 4.054 3.960 -0.025 0.000 0.295 388 G HA3 0.109 4.054 3.960 -0.025 0.000 0.295 388 G C -0.225 174.731 174.900 0.093 0.000 1.274 388 G CA -0.652 44.509 45.100 0.102 0.000 0.857 388 G HN 0.549 nan 8.290 nan 0.000 0.499 389 K N 0.006 120.432 120.400 0.044 0.000 2.057 389 K HA -0.115 4.190 4.320 -0.025 0.000 0.207 389 K C 2.730 179.356 176.600 0.043 0.000 1.049 389 K CA 1.983 58.291 56.287 0.034 0.000 0.931 389 K CB -0.191 32.312 32.500 0.004 0.000 0.714 389 K HN 0.505 nan 8.250 nan 0.000 0.440 390 R N -0.507 120.011 120.500 0.030 0.000 2.075 390 R HA -0.027 4.298 4.340 -0.025 0.000 0.232 390 R C 0.101 176.425 176.300 0.040 0.000 1.126 390 R CA 1.422 57.536 56.100 0.024 0.000 0.963 390 R CB -0.575 29.728 30.300 0.006 0.000 0.858 390 R HN -0.092 nan 8.270 nan 0.000 0.435 391 T N 4.222 118.806 114.554 0.050 0.000 2.947 391 T HA 0.359 4.694 4.350 -0.025 0.000 0.337 391 T C -2.543 172.291 174.700 0.223 0.000 1.139 391 T CA -1.658 60.477 62.100 0.057 0.000 0.992 391 T CB 1.842 70.650 68.868 -0.100 0.000 1.043 391 T HN 0.176 nan 8.240 nan 0.000 0.498 392 P HA 0.323 nan 4.420 nan 0.000 0.276 392 P C -0.756 176.912 177.300 0.612 0.000 1.244 392 P CA -0.720 62.590 63.100 0.350 0.000 0.801 392 P CB 0.718 32.541 31.700 0.205 0.000 1.006 393 F N 2.173 122.282 119.950 0.266 0.000 2.405 393 F HA 0.435 4.948 4.527 -0.023 0.000 0.355 393 F C 0.233 176.136 175.800 0.172 0.000 1.121 393 F CA 0.280 58.279 58.000 -0.001 0.000 1.112 393 F CB 0.724 39.364 39.000 -0.601 0.000 1.126 393 F HN 0.322 nan 8.300 nan 0.000 0.481 394 T N 1.024 115.470 114.554 -0.180 0.000 2.858 394 T HA 0.306 4.641 4.350 -0.025 0.000 0.285 394 T C 0.622 175.075 174.700 -0.411 0.000 1.052 394 T CA -0.724 61.247 62.100 -0.216 0.000 1.009 394 T CB 1.351 70.155 68.868 -0.108 0.000 1.241 394 T HN 0.520 nan 8.240 nan 0.000 0.542 395 D N 0.241 120.497 120.400 -0.239 0.000 2.144 395 D HA -0.098 4.527 4.640 -0.025 0.000 0.199 395 D C 1.616 177.810 176.300 -0.176 0.000 0.984 395 D CA 1.187 55.076 54.000 -0.185 0.000 0.834 395 D CB 0.087 40.813 40.800 -0.124 0.000 0.955 395 D HN 0.557 nan 8.370 nan 0.000 0.465 396 E N 0.348 120.419 120.200 -0.216 0.000 2.118 396 E HA -0.160 4.176 4.350 -0.025 0.000 0.195 396 E C 1.970 178.506 176.600 -0.107 0.000 0.992 396 E CA 0.836 57.123 56.400 -0.189 0.000 0.804 396 E CB -0.316 29.235 29.700 -0.248 0.000 0.741 396 E HN 0.488 nan 8.360 nan 0.000 0.458 397 H N -0.270 118.787 119.070 -0.022 0.000 2.353 397 H HA -0.069 4.473 4.556 -0.023 0.000 0.300 397 H C 2.141 177.580 175.328 0.185 0.000 1.090 397 H CA 1.163 57.316 56.048 0.175 0.000 1.327 397 H CB -0.228 29.470 29.762 -0.106 0.000 1.383 397 H HN 0.196 nan 8.280 nan 0.000 0.508 398 L N 0.700 122.004 121.223 0.134 0.000 2.217 398 L HA -0.159 4.167 4.340 -0.025 0.000 0.211 398 L C 2.587 179.535 176.870 0.130 0.000 1.107 398 L CA 0.688 55.622 54.840 0.156 0.000 0.783 398 L CB -0.352 41.769 42.059 0.103 0.000 0.919 398 L HN 0.251 nan 8.230 nan 0.000 0.442 399 Q N 0.074 119.910 119.800 0.059 0.000 2.096 399 Q HA -0.203 4.122 4.340 -0.025 0.000 0.204 399 Q C -0.439 175.550 176.000 -0.018 0.000 0.982 399 Q CA 1.616 57.414 55.803 -0.007 0.000 0.850 399 Q CB -1.043 27.668 28.738 -0.045 0.000 0.901 399 Q HN 0.442 nan 8.270 nan 0.000 0.422 400 P HA -0.172 nan 4.420 nan 0.000 0.217 400 P C 0.940 178.139 177.300 -0.168 0.000 1.150 400 P CA 0.975 64.064 63.100 -0.018 0.000 0.832 400 P CB -0.137 31.651 31.700 0.146 0.000 0.787 401 F N 2.091 121.825 119.950 -0.361 0.000 2.113 401 F HA -0.180 4.333 4.527 -0.023 0.000 0.297 401 F C 2.095 177.658 175.800 -0.395 0.000 1.103 401 F CA 1.605 59.208 58.000 -0.661 0.000 1.248 401 F CB -0.682 37.928 39.000 -0.650 0.000 0.999 401 F HN -0.039 nan 8.300 nan 0.000 0.475 402 E N 0.343 120.336 120.200 -0.344 0.000 2.110 402 E HA -0.274 4.061 4.350 -0.025 0.000 0.193 402 E C 2.425 178.818 176.600 -0.345 0.000 0.988 402 E CA 1.198 57.386 56.400 -0.353 0.000 0.804 402 E CB -0.774 28.875 29.700 -0.084 0.000 0.745 402 E HN 0.517 nan 8.360 nan 0.000 0.458 403 R N 1.529 121.838 120.500 -0.318 0.000 2.073 403 R HA -0.151 4.174 4.340 -0.025 0.000 0.234 403 R C 2.648 178.684 176.300 -0.441 0.000 1.134 403 R CA 2.066 57.989 56.100 -0.296 0.000 0.952 403 R CB -0.433 29.716 30.300 -0.253 0.000 0.850 403 R HN 0.295 nan 8.270 nan 0.000 0.433 404 V N -1.319 118.187 119.914 -0.681 0.000 2.515 404 V HA -0.196 3.909 4.120 -0.025 0.000 0.250 404 V C 2.090 177.576 176.094 -1.013 0.000 1.058 404 V CA 1.607 63.301 62.300 -1.010 0.000 1.064 404 V CB -1.220 29.593 31.823 -1.683 0.000 0.675 404 V HN 0.386 nan 8.190 nan 0.000 0.461 405 Y N 2.903 122.582 120.300 -1.034 0.000 2.128 405 Y HA 0.288 4.823 4.550 -0.024 0.000 0.284 405 Y C 1.389 177.007 175.900 -0.469 0.000 1.154 405 Y CA 1.588 59.216 58.100 -0.787 0.000 1.149 405 Y CB -0.589 37.352 38.460 -0.865 0.000 0.976 405 Y HN 0.699 nan 8.280 nan 0.000 0.505 406 G N -0.076 108.520 108.800 -0.341 0.000 2.674 406 G HA2 -0.220 3.726 3.960 -0.025 0.000 0.686 406 G HA3 -0.220 3.726 3.960 -0.025 0.000 0.686 406 G C 0.054 174.888 174.900 -0.111 0.000 1.195 406 G CA -0.073 44.850 45.100 -0.295 0.000 0.776 406 G HN 0.386 nan 8.290 nan 0.000 0.654 407 E N -0.144 120.002 120.200 -0.090 0.000 2.106 407 E HA -0.054 4.281 4.350 -0.025 0.000 0.192 407 E C 1.040 177.623 176.600 -0.028 0.000 0.984 407 E CA 0.833 57.209 56.400 -0.041 0.000 0.806 407 E CB 0.046 29.720 29.700 -0.043 0.000 0.750 407 E HN 0.582 nan 8.360 nan 0.000 0.458 408 D N 0.317 120.680 120.400 -0.062 0.000 2.487 408 D HA -0.054 4.571 4.640 -0.025 0.000 0.243 408 D C -1.529 174.774 176.300 0.005 0.000 1.154 408 D CA -1.264 52.715 54.000 -0.034 0.000 0.876 408 D CB 1.192 41.959 40.800 -0.056 0.000 1.161 408 D HN -0.014 nan 8.370 nan 0.000 0.478 409 P HA -0.170 nan 4.420 nan 0.000 0.218 409 P C 0.928 178.211 177.300 -0.027 0.000 1.149 409 P CA 1.205 64.317 63.100 0.020 0.000 0.817 409 P CB 0.101 31.751 31.700 -0.083 0.000 0.785 410 H N -0.761 118.298 119.070 -0.019 0.000 2.495 410 H HA 0.051 4.593 4.556 -0.025 0.000 0.287 410 H C 1.521 176.607 175.328 -0.402 0.000 1.033 410 H CA 1.688 57.671 56.048 -0.108 0.000 1.307 410 H CB -0.285 29.435 29.762 -0.071 0.000 1.401 410 H HN 0.239 nan 8.280 nan 0.000 0.555 411 G N 0.344 108.991 108.800 -0.255 0.000 2.141 411 G HA2 -0.231 3.714 3.960 -0.025 0.000 0.231 411 G HA3 -0.231 3.714 3.960 -0.025 0.000 0.231 411 G C 1.203 175.943 174.900 -0.266 0.000 0.984 411 G CA 0.404 45.211 45.100 -0.489 0.000 0.660 411 G HN 0.360 nan 8.290 nan 0.000 0.525 412 L N 0.849 121.991 121.223 -0.135 0.000 2.217 412 L HA 0.069 4.394 4.340 -0.025 0.000 0.211 412 L C 1.994 178.819 176.870 -0.075 0.000 1.107 412 L CA 0.853 55.657 54.840 -0.060 0.000 0.783 412 L CB -0.592 41.444 42.059 -0.039 0.000 0.919 412 L HN 0.308 nan 8.230 nan 0.000 0.442 413 S N 0.042 115.661 115.700 -0.135 0.000 2.549 413 S HA 0.038 4.493 4.470 -0.025 0.000 0.278 413 S C -1.992 172.533 174.600 -0.125 0.000 1.344 413 S CA -0.826 57.294 58.200 -0.134 0.000 1.025 413 S CB -0.069 63.020 63.200 -0.185 0.000 0.851 413 S HN 0.019 nan 8.310 nan 0.000 0.530 414 P HA 0.328 nan 4.420 nan 0.000 0.271 414 P C -0.481 176.751 177.300 -0.115 0.000 1.218 414 P CA 0.056 63.122 63.100 -0.056 0.000 0.780 414 P CB 0.479 32.158 31.700 -0.035 0.000 0.901 415 R N 0.427 120.900 120.500 -0.045 0.000 2.698 415 R HA 0.719 5.044 4.340 -0.025 0.000 0.275 415 R C -0.675 175.702 176.300 0.129 0.000 1.001 415 R CA -0.699 55.298 56.100 -0.172 0.000 0.896 415 R CB 2.251 32.128 30.300 -0.704 0.000 1.218 415 R HN 0.484 nan 8.270 nan 0.000 0.462 416 T N -1.860 112.796 114.554 0.170 0.000 2.900 416 T HA 0.407 4.742 4.350 -0.025 0.000 0.303 416 T C -0.292 174.774 174.700 0.610 0.000 1.142 416 T CA -1.097 61.246 62.100 0.406 0.000 1.007 416 T CB 2.035 71.034 68.868 0.218 0.000 1.156 416 T HN 0.443 nan 8.240 nan 0.000 0.490 417 E N 0.075 120.653 120.200 0.629 0.000 2.405 417 E HA 0.525 4.860 4.350 -0.025 0.000 0.253 417 E C 0.508 177.390 176.600 0.469 0.000 1.257 417 E CA -0.373 56.412 56.400 0.642 0.000 0.960 417 E CB 0.256 30.098 29.700 0.236 0.000 1.077 417 E HN 1.295 nan 8.360 nan 0.000 0.512 418 G N 1.573 110.636 108.800 0.438 0.000 3.035 418 G HA2 -0.099 3.846 3.960 -0.025 0.000 0.214 418 G HA3 -0.099 3.846 3.960 -0.025 0.000 0.214 418 G C -0.852 174.253 174.900 0.342 0.000 1.063 418 G CA -0.167 45.185 45.100 0.421 0.000 1.109 418 G HN 0.336 nan 8.290 nan 0.000 0.563 419 E N 0.362 120.789 120.200 0.378 0.000 2.218 419 E HA 0.711 5.046 4.350 -0.025 0.000 0.263 419 E C -0.268 176.533 176.600 0.335 0.000 0.879 419 E CA -1.277 55.243 56.400 0.200 0.000 0.762 419 E CB 0.564 30.491 29.700 0.379 0.000 1.166 419 E HN 0.801 nan 8.360 nan 0.000 0.415 420 W N 3.482 124.893 121.300 0.185 0.000 1.950 420 W HA 0.677 5.322 4.660 -0.025 0.000 0.289 420 W C -0.869 175.750 176.519 0.167 0.000 0.883 420 W CA -0.766 56.674 57.345 0.158 0.000 2.031 420 W CB 0.037 29.551 29.460 0.090 0.000 2.266 420 W HN 0.166 nan 8.180 nan 0.000 0.400 421 S N 0.702 116.550 115.700 0.246 0.000 2.730 421 S HA 0.571 5.026 4.470 -0.025 0.000 0.284 421 S C -0.108 174.696 174.600 0.341 0.000 1.153 421 S CA -0.516 57.780 58.200 0.159 0.000 0.995 421 S CB 0.350 63.644 63.200 0.157 0.000 1.058 421 S HN 0.424 nan 8.310 nan 0.000 0.552 422 F N 1.299 121.355 119.950 0.177 0.000 3.027 422 F HA -0.209 4.304 4.527 -0.023 0.000 0.276 422 F C 0.529 176.423 175.800 0.156 0.000 0.967 422 F CA 0.165 58.267 58.000 0.170 0.000 0.929 422 F CB -2.158 36.958 39.000 0.194 0.000 0.873 422 F HN 0.639 nan 8.300 nan 0.000 0.787 423 N N -2.162 116.674 118.700 0.227 0.000 2.738 423 N HA -0.243 4.482 4.740 -0.025 0.000 0.249 423 N C 1.182 176.828 175.510 0.227 0.000 1.047 423 N CA 0.801 53.974 53.050 0.204 0.000 0.707 423 N CB -0.981 37.603 38.487 0.162 0.000 0.937 423 N HN 0.699 nan 8.380 nan 0.000 0.545 424 A N 0.130 123.121 122.820 0.287 0.000 1.902 424 A HA -0.157 4.149 4.320 -0.025 0.000 0.217 424 A C 2.023 179.733 177.584 0.211 0.000 1.181 424 A CA 1.801 54.003 52.037 0.276 0.000 0.623 424 A CB -0.144 19.070 19.000 0.358 0.000 0.818 424 A HN 0.481 nan 8.150 nan 0.000 0.443 425 E N 0.248 120.562 120.200 0.190 0.000 2.077 425 E HA -0.178 4.157 4.350 -0.025 0.000 0.193 425 E C 1.895 178.550 176.600 0.092 0.000 0.989 425 E CA 1.542 58.001 56.400 0.099 0.000 0.800 425 E CB -0.233 29.490 29.700 0.039 0.000 0.746 425 E HN 0.752 nan 8.360 nan 0.000 0.452 426 E N 0.330 120.592 120.200 0.103 0.000 2.204 426 E HA -0.051 4.284 4.350 -0.025 0.000 0.194 426 E C 0.286 176.937 176.600 0.086 0.000 0.989 426 E CA 0.725 57.175 56.400 0.085 0.000 0.824 426 E CB -0.074 29.677 29.700 0.084 0.000 0.756 426 E HN 0.153 nan 8.360 nan 0.000 0.477 427 T N 1.726 116.343 114.554 0.105 0.000 2.903 427 T HA 0.045 4.380 4.350 -0.025 0.000 0.314 427 T C 0.222 174.976 174.700 0.090 0.000 1.078 427 T CA -0.137 62.020 62.100 0.096 0.000 1.114 427 T CB 0.754 69.688 68.868 0.109 0.000 0.987 427 T HN -0.054 nan 8.240 nan 0.000 0.548 428 E N 0.850 121.096 120.200 0.077 0.000 2.373 428 E HA 0.411 4.746 4.350 -0.025 0.000 0.263 428 E C -0.482 176.175 176.600 0.095 0.000 1.073 428 E CA -0.245 56.200 56.400 0.075 0.000 0.894 428 E CB 0.678 30.413 29.700 0.059 0.000 1.008 428 E HN 0.290 nan 8.360 nan 0.000 0.420 429 V N 1.549 121.525 119.914 0.103 0.000 2.667 429 V HA 0.700 4.805 4.120 -0.025 0.000 0.308 429 V C 0.125 176.290 176.094 0.119 0.000 1.048 429 V CA -0.930 61.452 62.300 0.136 0.000 0.928 429 V CB 1.727 33.634 31.823 0.140 0.000 1.004 429 V HN 0.793 nan 8.190 nan 0.000 0.444 430 A N 1.933 124.840 122.820 0.144 0.000 2.264 430 A HA 0.625 4.931 4.320 -0.025 0.000 0.304 430 A C -0.496 177.163 177.584 0.126 0.000 1.100 430 A CA -0.303 51.806 52.037 0.121 0.000 0.839 430 A CB 0.683 19.757 19.000 0.123 0.000 1.121 430 A HN 0.809 nan 8.150 nan 0.000 0.496 431 D N -0.476 119.985 120.400 0.102 0.000 2.256 431 D HA 0.612 5.237 4.640 -0.025 0.000 0.240 431 D C -0.106 176.257 176.300 0.105 0.000 1.062 431 D CA 0.848 54.905 54.000 0.095 0.000 0.832 431 D CB 1.035 41.877 40.800 0.071 0.000 1.135 431 D HN 0.903 nan 8.370 nan 0.000 0.484 432 S N 2.350 118.122 115.700 0.120 0.000 2.615 432 S HA 0.069 4.524 4.470 -0.025 0.000 0.272 432 S C 0.461 175.160 174.600 0.165 0.000 1.112 432 S CA -0.648 57.631 58.200 0.133 0.000 0.985 432 S CB 0.145 63.440 63.200 0.157 0.000 1.205 432 S HN 0.214 nan 8.310 nan 0.000 0.469 433 E N 1.252 121.577 120.200 0.209 0.000 2.106 433 E HA -0.000 4.335 4.350 -0.025 0.000 0.192 433 E C 1.824 178.675 176.600 0.418 0.000 0.984 433 E CA 1.671 58.255 56.400 0.306 0.000 0.806 433 E CB -0.169 29.733 29.700 0.336 0.000 0.750 433 E HN 0.536 nan 8.360 nan 0.000 0.458 434 E N 0.652 121.121 120.200 0.448 0.000 2.038 434 E HA -0.124 4.211 4.350 -0.025 0.000 0.195 434 E C 0.763 177.508 176.600 0.241 0.000 1.000 434 E CA 0.902 57.581 56.400 0.465 0.000 0.803 434 E CB -0.248 29.734 29.700 0.470 0.000 0.750 434 E HN 0.223 nan 8.360 nan 0.000 0.448 435 N N 1.433 120.257 118.700 0.207 0.000 2.378 435 N HA 0.042 4.767 4.740 -0.025 0.000 0.243 435 N C -0.275 175.284 175.510 0.083 0.000 1.137 435 N CA 0.063 53.178 53.050 0.108 0.000 0.862 435 N CB 0.550 39.117 38.487 0.134 0.000 1.116 435 N HN 0.081 nan 8.380 nan 0.000 0.499 436 K N 1.012 121.473 120.400 0.102 0.000 2.205 436 K HA 0.130 4.435 4.320 -0.025 0.000 0.279 436 K C 0.237 176.862 176.600 0.041 0.000 1.027 436 K CA -0.236 56.104 56.287 0.088 0.000 0.932 436 K CB 0.479 33.055 32.500 0.128 0.000 1.032 436 K HN 0.087 nan 8.250 nan 0.000 0.466 437 N N 1.804 120.524 118.700 0.034 0.000 2.735 437 N HA -0.157 4.568 4.740 -0.025 0.000 0.248 437 N C -1.256 174.245 175.510 -0.016 0.000 1.083 437 N CA 1.229 54.287 53.050 0.013 0.000 0.703 437 N CB -1.147 37.346 38.487 0.010 0.000 1.005 437 N HN 0.581 nan 8.380 nan 0.000 0.550 438 T N 0.764 115.310 114.554 -0.014 0.000 2.855 438 T HA 0.255 4.590 4.350 -0.025 0.000 0.281 438 T C 0.275 174.964 174.700 -0.017 0.000 1.007 438 T CA -0.897 61.176 62.100 -0.044 0.000 1.009 438 T CB 2.119 70.946 68.868 -0.069 0.000 0.983 438 T HN 0.147 nan 8.240 nan 0.000 0.455 439 D N 2.114 122.502 120.400 -0.021 0.000 2.377 439 D HA 0.037 4.663 4.640 -0.025 0.000 0.245 439 D C 0.907 177.218 176.300 0.019 0.000 1.196 439 D CA -0.541 53.463 54.000 0.005 0.000 0.962 439 D CB 0.950 41.758 40.800 0.013 0.000 1.127 439 D HN 0.234 nan 8.370 nan 0.000 0.471 440 Q N -0.139 119.683 119.800 0.036 0.000 2.050 440 Q HA -0.226 4.099 4.340 -0.025 0.000 0.202 440 Q C 1.905 177.943 176.000 0.063 0.000 0.980 440 Q CA 1.673 57.504 55.803 0.046 0.000 0.840 440 Q CB -0.604 28.159 28.738 0.042 0.000 0.898 440 Q HN 0.699 nan 8.270 nan 0.000 0.424 441 H N -0.092 118.961 119.070 -0.029 0.000 2.357 441 H HA -0.098 4.443 4.556 -0.024 0.000 0.301 441 H C 1.835 177.163 175.328 0.000 0.000 1.082 441 H CA 1.594 57.619 56.048 -0.039 0.000 1.342 441 H CB -0.198 29.521 29.762 -0.071 0.000 1.389 441 H HN 0.179 nan 8.280 nan 0.000 0.511 442 L N 0.210 121.438 121.223 0.008 0.000 2.093 442 L HA -0.000 4.325 4.340 -0.025 0.000 0.208 442 L C 2.420 179.213 176.870 -0.129 0.000 1.085 442 L CA 1.752 56.550 54.840 -0.071 0.000 0.755 442 L CB -1.104 40.907 42.059 -0.079 0.000 0.904 442 L HN 0.366 nan 8.230 nan 0.000 0.435 443 A N -1.143 121.632 122.820 -0.075 0.000 1.940 443 A HA -0.250 4.055 4.320 -0.025 0.000 0.219 443 A C 2.355 179.981 177.584 0.070 0.000 1.176 443 A CA 2.358 54.373 52.037 -0.037 0.000 0.631 443 A CB -1.319 17.706 19.000 0.043 0.000 0.814 443 A HN 0.615 nan 8.150 nan 0.000 0.446 444 T N -2.453 112.135 114.554 0.057 0.000 2.951 444 T HA 0.010 4.345 4.350 -0.025 0.000 0.268 444 T C 1.226 176.056 174.700 0.216 0.000 1.073 444 T CA 0.941 63.120 62.100 0.131 0.000 1.134 444 T CB -0.694 68.202 68.868 0.046 0.000 0.884 444 T HN 0.384 nan 8.240 nan 0.000 0.479 445 S N 0.732 116.512 115.700 0.134 0.000 2.549 445 S HA 0.137 4.592 4.470 -0.025 0.000 0.286 445 S C 1.377 176.265 174.600 0.479 0.000 1.314 445 S CA -0.609 57.751 58.200 0.267 0.000 1.062 445 S CB 0.477 63.797 63.200 0.199 0.000 0.865 445 S HN 0.481 nan 8.310 nan 0.000 0.498 446 R N 2.951 123.758 120.500 0.512 0.000 2.115 446 R HA 0.015 4.341 4.340 -0.025 0.000 0.226 446 R C 0.543 177.270 176.300 0.711 0.000 1.100 446 R CA 0.637 57.038 56.100 0.502 0.000 0.980 446 R CB 0.115 30.466 30.300 0.084 0.000 0.875 446 R HN 0.759 nan 8.270 nan 0.000 0.445 447 W N 2.190 123.775 121.300 0.476 0.000 2.316 447 W HA 0.331 4.975 4.660 -0.026 0.000 0.308 447 W C -0.886 175.850 176.519 0.362 0.000 1.106 447 W CA -0.381 57.291 57.345 0.545 0.000 1.262 447 W CB 0.584 30.331 29.460 0.478 0.000 1.233 447 W HN -0.017 nan 8.180 nan 0.000 0.447 448 R N 3.776 124.249 120.500 -0.046 0.000 2.764 448 R HA 0.388 4.714 4.340 -0.025 0.000 0.270 448 R C -0.986 174.904 176.300 -0.684 0.000 1.014 448 R CA -0.975 54.832 56.100 -0.488 0.000 0.904 448 R CB 2.917 32.569 30.300 -1.080 0.000 1.236 448 R HN 0.424 nan 8.270 nan 0.000 0.466 449 K N 0.603 120.279 120.400 -1.206 0.000 2.340 449 K HA 0.646 4.952 4.320 -0.025 0.000 0.244 449 K C -1.287 174.405 176.600 -1.514 0.000 0.973 449 K CA -0.686 54.797 56.287 -1.339 0.000 0.828 449 K CB 1.695 33.033 32.500 -1.937 0.000 1.226 449 K HN 0.233 nan 8.250 nan 0.000 0.437 450 F N 0.209 119.846 119.950 -0.522 0.000 2.588 450 F HA 0.324 4.837 4.527 -0.024 0.000 0.310 450 F C 0.001 175.676 175.800 -0.208 0.000 1.082 450 F CA -0.795 56.952 58.000 -0.422 0.000 0.929 450 F CB 2.468 41.295 39.000 -0.288 0.000 1.254 450 F HN 0.741 nan 8.300 nan 0.000 0.455 451 S N 1.168 116.907 115.700 0.065 0.000 2.632 451 S HA 0.399 4.854 4.470 -0.025 0.000 0.271 451 S C 1.086 175.830 174.600 0.240 0.000 1.260 451 S CA -0.715 57.550 58.200 0.108 0.000 1.010 451 S CB 1.689 64.944 63.200 0.092 0.000 0.965 451 S HN 0.846 nan 8.310 nan 0.000 0.534 452 R N 0.269 120.863 120.500 0.157 0.000 2.075 452 R HA -0.085 4.240 4.340 -0.025 0.000 0.232 452 R C 1.977 178.362 176.300 0.142 0.000 1.126 452 R CA 1.214 57.400 56.100 0.143 0.000 0.963 452 R CB -0.295 30.065 30.300 0.101 0.000 0.858 452 R HN 0.803 nan 8.270 nan 0.000 0.435 453 E N -0.110 120.173 120.200 0.139 0.000 2.110 453 E HA -0.215 4.120 4.350 -0.025 0.000 0.193 453 E C 1.510 178.196 176.600 0.143 0.000 0.988 453 E CA 1.127 57.594 56.400 0.112 0.000 0.804 453 E CB -0.330 29.430 29.700 0.100 0.000 0.745 453 E HN 0.453 nan 8.360 nan 0.000 0.458 454 W N 1.203 122.522 121.300 0.033 0.000 2.355 454 W HA -0.133 4.512 4.660 -0.026 0.000 0.309 454 W C 2.046 178.587 176.519 0.037 0.000 1.206 454 W CA 1.668 59.040 57.345 0.045 0.000 1.284 454 W CB -0.451 29.059 29.460 0.085 0.000 1.145 454 W HN -0.026 nan 8.180 nan 0.000 0.502 455 I N 0.361 121.042 120.570 0.185 0.000 2.226 455 I HA -0.315 3.840 4.170 -0.025 0.000 0.245 455 I C 2.763 178.765 176.117 -0.192 0.000 1.100 455 I CA 1.726 62.967 61.300 -0.099 0.000 1.374 455 I CB -0.766 37.294 38.000 0.100 0.000 1.057 455 I HN 0.001 nan 8.210 nan 0.000 0.413 456 R N 0.470 120.926 120.500 -0.073 0.000 2.070 456 R HA -0.157 4.168 4.340 -0.025 0.000 0.233 456 R C 2.324 178.545 176.300 -0.133 0.000 1.137 456 R CA 2.301 58.354 56.100 -0.079 0.000 0.945 456 R CB -0.296 29.989 30.300 -0.025 0.000 0.845 456 R HN 0.277 nan 8.270 nan 0.000 0.430 457 T N 0.459 114.929 114.554 -0.140 0.000 2.639 457 T HA -0.051 4.284 4.350 -0.025 0.000 0.261 457 T C 1.815 176.363 174.700 -0.254 0.000 1.053 457 T CA 1.363 63.372 62.100 -0.152 0.000 1.158 457 T CB -0.425 68.385 68.868 -0.096 0.000 0.863 457 T HN 0.446 nan 8.240 nan 0.000 0.413 458 A N 1.635 124.178 122.820 -0.461 0.000 1.855 458 A HA -0.054 4.251 4.320 -0.025 0.000 0.215 458 A C 2.272 179.554 177.584 -0.504 0.000 1.191 458 A CA 1.203 52.917 52.037 -0.538 0.000 0.613 458 A CB -0.330 18.115 19.000 -0.926 0.000 0.829 458 A HN 0.172 nan 8.150 nan 0.000 0.442 459 K N -0.013 119.989 120.400 -0.663 0.000 2.288 459 K HA 0.037 4.342 4.320 -0.025 0.000 0.201 459 K C 0.361 176.807 176.600 -0.256 0.000 1.048 459 K CA 0.877 56.898 56.287 -0.444 0.000 0.956 459 K CB -0.291 31.947 32.500 -0.436 0.000 0.746 459 K HN 0.428 nan 8.250 nan 0.000 0.461 460 S N 1.999 117.561 115.700 -0.230 0.000 3.783 460 S HA -0.120 4.336 4.470 -0.025 0.000 0.360 460 S C -0.773 173.759 174.600 -0.114 0.000 1.006 460 S CA 0.725 58.837 58.200 -0.146 0.000 1.115 460 S CB -1.357 61.767 63.200 -0.127 0.000 0.893 460 S HN 0.429 nan 8.310 nan 0.000 0.475 461 D N -0.350 119.983 120.400 -0.111 0.000 2.699 461 D HA -0.143 4.482 4.640 -0.025 0.000 0.239 461 D C -0.076 176.190 176.300 -0.055 0.000 1.136 461 D CA 1.601 55.558 54.000 -0.071 0.000 0.668 461 D CB -1.281 39.486 40.800 -0.055 0.000 1.060 461 D HN 0.626 nan 8.370 nan 0.000 0.429 462 S N -0.305 115.355 115.700 -0.067 0.000 2.478 462 S HA 0.504 4.959 4.470 -0.025 0.000 0.312 462 S C 1.256 175.851 174.600 -0.008 0.000 1.094 462 S CA -0.851 57.343 58.200 -0.010 0.000 1.081 462 S CB 1.105 64.311 63.200 0.010 0.000 1.007 462 S HN 0.234 nan 8.310 nan 0.000 0.475 463 L N 2.331 123.558 121.223 0.007 0.000 2.217 463 L HA 0.079 4.404 4.340 -0.025 0.000 0.211 463 L C 0.804 177.673 176.870 -0.001 0.000 1.107 463 L CA 0.477 55.317 54.840 -0.001 0.000 0.783 463 L CB -0.293 41.754 42.059 -0.020 0.000 0.919 463 L HN 0.616 nan 8.230 nan 0.000 0.442 464 D N 1.487 121.904 120.400 0.028 0.000 2.380 464 D HA 0.133 4.758 4.640 -0.025 0.000 0.270 464 D C -0.302 176.013 176.300 0.026 0.000 1.363 464 D CA 0.509 54.534 54.000 0.042 0.000 1.057 464 D CB -0.171 40.773 40.800 0.240 0.000 1.096 464 D HN 0.077 nan 8.370 nan 0.000 0.524 465 I N 1.790 122.346 120.570 -0.023 0.000 2.509 465 I HA 0.387 4.542 4.170 -0.025 0.000 0.293 465 I C -0.085 175.972 176.117 -0.100 0.000 1.020 465 I CA -0.754 60.521 61.300 -0.041 0.000 1.088 465 I CB 2.015 39.924 38.000 -0.153 0.000 1.267 465 I HN 0.141 nan 8.210 nan 0.000 0.430 466 S N 3.905 119.571 115.700 -0.058 0.000 2.542 466 S HA 0.298 4.753 4.470 -0.025 0.000 0.276 466 S C -0.558 174.046 174.600 0.006 0.000 1.148 466 S CA -0.757 57.269 58.200 -0.290 0.000 0.886 466 S CB 0.805 63.836 63.200 -0.283 0.000 1.109 466 S HN 0.690 nan 8.310 nan 0.000 0.458 467 W N 3.590 124.947 121.300 0.095 0.000 2.683 467 W HA 0.514 5.160 4.660 -0.022 0.000 0.267 467 W C 0.162 176.727 176.519 0.077 0.000 1.243 467 W CA -0.457 56.950 57.345 0.103 0.000 1.380 467 W CB -0.144 29.392 29.460 0.126 0.000 1.063 467 W HN 0.327 nan 8.180 nan 0.000 0.599 468 L N 1.991 123.139 121.223 -0.126 0.000 2.416 468 L HA 0.480 4.805 4.340 -0.025 0.000 0.262 468 L C 0.073 176.936 176.870 -0.012 0.000 1.093 468 L CA -0.927 53.904 54.840 -0.014 0.000 0.801 468 L CB 1.096 43.112 42.059 -0.071 0.000 1.191 468 L HN -0.194 nan 8.230 nan 0.000 0.459 469 K N 0.471 120.887 120.400 0.027 0.000 2.324 469 K HA 0.211 4.516 4.320 -0.025 0.000 0.253 469 K C -1.202 175.409 176.600 0.019 0.000 0.932 469 K CA -0.691 55.609 56.287 0.022 0.000 0.799 469 K CB 1.543 34.066 32.500 0.040 0.000 1.154 469 K HN 0.441 nan 8.250 nan 0.000 0.425 470 D N 3.671 124.076 120.400 0.009 0.000 2.339 470 D HA 0.153 4.778 4.640 -0.025 0.000 0.241 470 D C -0.548 175.763 176.300 0.018 0.000 1.183 470 D CA 0.366 54.372 54.000 0.011 0.000 0.859 470 D CB 0.779 41.580 40.800 0.001 0.000 1.067 470 D HN 0.329 nan 8.370 nan 0.000 0.484 471 K N 1.952 122.367 120.400 0.026 0.000 1.874 471 K HA 0.409 4.714 4.320 -0.025 0.000 0.255 471 K C -1.687 174.929 176.600 0.028 0.000 0.748 471 K CA -0.396 55.906 56.287 0.025 0.000 0.571 471 K CB 1.163 33.681 32.500 0.029 0.000 1.921 471 K HN 0.278 nan 8.250 nan 0.000 0.615 472 D N 0.138 120.555 120.400 0.029 0.000 2.198 472 D HA 0.181 4.806 4.640 -0.025 0.000 0.147 472 D C -1.774 174.542 176.300 0.027 0.000 1.149 472 D CA -0.035 53.983 54.000 0.030 0.000 1.107 472 D CB 0.776 41.591 40.800 0.025 0.000 2.198 472 D HN 0.416 nan 8.370 nan 0.000 0.584 473 S N 1.368 117.086 115.700 0.030 0.000 2.607 473 S HA 0.826 5.282 4.470 -0.025 0.000 0.273 473 S C -1.867 172.749 174.600 0.028 0.000 1.148 473 S CA -0.625 57.591 58.200 0.027 0.000 0.833 473 S CB 1.643 64.859 63.200 0.027 0.000 1.130 473 S HN 0.295 nan 8.310 nan 0.000 0.470 474 I N 2.659 123.244 120.570 0.024 0.000 2.498 474 I HA 0.703 4.858 4.170 -0.025 0.000 0.290 474 I C -1.430 174.700 176.117 0.022 0.000 1.032 474 I CA -0.172 61.142 61.300 0.023 0.000 1.073 474 I CB 1.769 39.782 38.000 0.021 0.000 1.251 474 I HN 0.680 nan 8.210 nan 0.000 0.426 475 D N 5.541 125.954 120.400 0.023 0.000 2.736 475 D HA 0.552 5.177 4.640 -0.025 0.000 0.223 475 D C -1.061 175.251 176.300 0.020 0.000 1.231 475 D CA -0.402 53.611 54.000 0.021 0.000 0.818 475 D CB 2.651 43.466 40.800 0.024 0.000 1.587 475 D HN 0.709 nan 8.370 nan 0.000 0.463 476 A N 1.771 124.601 122.820 0.017 0.000 2.483 476 A HA 0.298 4.603 4.320 -0.025 0.000 0.238 476 A C -0.086 177.507 177.584 0.015 0.000 1.070 476 A CA 0.058 52.104 52.037 0.014 0.000 0.770 476 A CB 0.175 19.183 19.000 0.013 0.000 1.008 476 A HN 0.474 nan 8.150 nan 0.000 0.497 477 D N 1.031 121.438 120.400 0.011 0.000 2.514 477 D HA 0.385 5.010 4.640 -0.025 0.000 0.267 477 D C -0.979 175.323 176.300 0.003 0.000 1.165 477 D CA -0.289 53.717 54.000 0.010 0.000 0.958 477 D CB 0.226 41.032 40.800 0.010 0.000 0.992 477 D HN 0.045 nan 8.370 nan 0.000 0.506 478 S N 1.730 117.432 115.700 0.004 0.000 2.733 478 S HA 0.627 5.082 4.470 -0.025 0.000 0.307 478 S C -0.746 173.853 174.600 -0.003 0.000 1.127 478 S CA -0.611 57.586 58.200 -0.004 0.000 1.097 478 S CB 0.604 63.803 63.200 -0.002 0.000 1.003 478 S HN 0.295 nan 8.310 nan 0.000 0.477 479 L N 3.237 124.450 121.223 -0.017 0.000 2.469 479 L HA 0.652 4.977 4.340 -0.025 0.000 0.256 479 L C -2.559 174.272 176.870 -0.064 0.000 1.006 479 L CA -1.690 53.139 54.840 -0.018 0.000 0.832 479 L CB 0.720 42.783 42.059 0.007 0.000 1.421 479 L HN 0.309 nan 8.230 nan 0.000 0.410 480 P HA 0.293 nan 4.420 nan 0.000 0.276 480 P C 0.151 177.382 177.300 -0.115 0.000 1.244 480 P CA -0.476 62.498 63.100 -0.210 0.000 0.801 480 P CB 0.847 32.242 31.700 -0.508 0.000 1.006 481 E N 1.501 121.632 120.200 -0.116 0.000 2.072 481 E HA -0.109 4.226 4.350 -0.025 0.000 0.191 481 E C -0.897 175.689 176.600 -0.024 0.000 0.985 481 E CA 1.848 58.214 56.400 -0.058 0.000 0.801 481 E CB -1.870 27.797 29.700 -0.056 0.000 0.750 481 E HN 0.434 nan 8.360 nan 0.000 0.452 482 P HA -0.091 nan 4.420 nan 0.000 0.221 482 P C 1.083 178.430 177.300 0.079 0.000 1.150 482 P CA 1.164 64.292 63.100 0.047 0.000 0.800 482 P CB 0.026 31.784 31.700 0.096 0.000 0.787 483 D N -0.301 120.149 120.400 0.084 0.000 2.097 483 D HA -0.132 4.493 4.640 -0.025 0.000 0.197 483 D C 1.842 178.183 176.300 0.069 0.000 0.984 483 D CA 1.394 55.461 54.000 0.112 0.000 0.826 483 D CB -0.591 40.282 40.800 0.121 0.000 0.973 483 D HN 0.012 nan 8.370 nan 0.000 0.460 484 V N -0.424 119.515 119.914 0.042 0.000 2.515 484 V HA -0.154 3.951 4.120 -0.025 0.000 0.250 484 V C 2.581 178.699 176.094 0.040 0.000 1.058 484 V CA 1.153 63.476 62.300 0.037 0.000 1.064 484 V CB -0.883 30.954 31.823 0.024 0.000 0.675 484 V HN 0.200 nan 8.190 nan 0.000 0.461 485 L N 1.124 122.369 121.223 0.036 0.000 2.012 485 L HA 0.061 4.386 4.340 -0.025 0.000 0.210 485 L C 1.780 178.675 176.870 0.041 0.000 1.073 485 L CA 1.462 56.321 54.840 0.032 0.000 0.748 485 L CB -0.763 41.314 42.059 0.029 0.000 0.891 485 L HN 0.485 nan 8.230 nan 0.000 0.431 486 A N -0.590 122.261 122.820 0.052 0.000 2.269 486 A HA 0.569 4.875 4.320 -0.025 0.000 0.302 486 A C 1.040 178.659 177.584 0.058 0.000 1.266 486 A CA 0.213 52.283 52.037 0.055 0.000 0.894 486 A CB 1.016 20.050 19.000 0.057 0.000 1.147 486 A HN 0.264 nan 8.150 nan 0.000 0.537 487 A N 2.352 125.209 122.820 0.061 0.000 1.898 487 A HA -0.103 4.202 4.320 -0.025 0.000 0.216 487 A C 1.932 179.551 177.584 0.058 0.000 1.181 487 A CA 1.618 53.693 52.037 0.064 0.000 0.620 487 A CB -0.341 18.705 19.000 0.076 0.000 0.819 487 A HN 0.867 nan 8.150 nan 0.000 0.442 488 E N 0.673 120.906 120.200 0.055 0.000 2.106 488 E HA -0.107 4.228 4.350 -0.025 0.000 0.192 488 E C 1.969 178.595 176.600 0.044 0.000 0.984 488 E CA 1.332 57.761 56.400 0.047 0.000 0.806 488 E CB -0.902 28.824 29.700 0.044 0.000 0.750 488 E HN 0.481 nan 8.360 nan 0.000 0.458 489 A N 1.665 124.514 122.820 0.048 0.000 1.972 489 A HA -0.103 4.203 4.320 -0.025 0.000 0.219 489 A C 2.418 180.034 177.584 0.053 0.000 1.169 489 A CA 1.768 53.834 52.037 0.049 0.000 0.635 489 A CB -0.647 18.390 19.000 0.062 0.000 0.810 489 A HN 0.245 nan 8.150 nan 0.000 0.446 490 M N -0.625 119.008 119.600 0.055 0.000 2.108 490 M HA -0.152 4.313 4.480 -0.025 0.000 0.261 490 M C 2.308 178.636 176.300 0.047 0.000 1.066 490 M CA 1.532 56.865 55.300 0.056 0.000 1.107 490 M CB -0.712 31.919 32.600 0.052 0.000 1.356 490 M HN 0.511 nan 8.290 nan 0.000 0.406 491 G N -0.251 108.573 108.800 0.039 0.000 2.418 491 G HA2 -0.223 3.722 3.960 -0.025 0.000 0.217 491 G HA3 -0.223 3.722 3.960 -0.025 0.000 0.217 491 G C 1.520 176.437 174.900 0.029 0.000 1.158 491 G CA 0.710 45.830 45.100 0.032 0.000 0.771 491 G HN 0.352 nan 8.290 nan 0.000 0.545 492 E N 0.237 120.453 120.200 0.026 0.000 2.047 492 E HA -0.049 4.286 4.350 -0.025 0.000 0.191 492 E C 2.677 179.290 176.600 0.021 0.000 0.987 492 E CA 0.428 56.838 56.400 0.017 0.000 0.799 492 E CB -0.238 29.467 29.700 0.008 0.000 0.752 492 E HN 0.242 nan 8.360 nan 0.000 0.449 493 L N 0.590 121.837 121.223 0.040 0.000 2.083 493 L HA -0.137 4.188 4.340 -0.025 0.000 0.209 493 L C 2.653 179.559 176.870 0.059 0.000 1.083 493 L CA 0.915 55.792 54.840 0.062 0.000 0.752 493 L CB -1.386 40.745 42.059 0.120 0.000 0.899 493 L HN 0.047 nan 8.230 nan 0.000 0.433 494 V N -0.262 119.682 119.914 0.050 0.000 2.407 494 V HA -0.270 3.836 4.120 -0.025 0.000 0.248 494 V C 2.674 178.789 176.094 0.034 0.000 1.055 494 V CA 1.430 63.756 62.300 0.043 0.000 1.049 494 V CB -0.592 31.253 31.823 0.037 0.000 0.662 494 V HN 0.511 nan 8.190 nan 0.000 0.455 495 Q N 0.358 120.174 119.800 0.027 0.000 2.135 495 Q HA -0.221 4.104 4.340 -0.025 0.000 0.204 495 Q C 2.290 178.301 176.000 0.019 0.000 0.981 495 Q CA 2.174 57.989 55.803 0.019 0.000 0.856 495 Q CB -0.301 28.444 28.738 0.013 0.000 0.902 495 Q HN 0.619 nan 8.270 nan 0.000 0.425 496 A N 0.470 123.303 122.820 0.022 0.000 1.933 496 A HA -0.167 4.138 4.320 -0.025 0.000 0.218 496 A C 2.089 179.691 177.584 0.029 0.000 1.175 496 A CA 1.265 53.314 52.037 0.021 0.000 0.628 496 A CB -0.526 18.489 19.000 0.024 0.000 0.814 496 A HN 0.371 nan 8.150 nan 0.000 0.444 497 L N 0.040 121.286 121.223 0.037 0.000 2.083 497 L HA -0.136 4.189 4.340 -0.025 0.000 0.209 497 L C 2.761 179.646 176.870 0.026 0.000 1.083 497 L CA 2.024 56.886 54.840 0.036 0.000 0.752 497 L CB -0.848 41.233 42.059 0.038 0.000 0.899 497 L HN 0.285 nan 8.230 nan 0.000 0.433 498 S N -0.870 114.843 115.700 0.022 0.000 2.359 498 S HA -0.224 4.231 4.470 -0.025 0.000 0.224 498 S C 1.990 176.599 174.600 0.015 0.000 1.035 498 S CA 1.321 59.531 58.200 0.018 0.000 1.018 498 S CB -0.264 62.945 63.200 0.015 0.000 0.876 498 S HN 0.446 nan 8.310 nan 0.000 0.448 499 E N 1.068 121.277 120.200 0.015 0.000 2.106 499 E HA -0.098 4.237 4.350 -0.025 0.000 0.192 499 E C 2.059 178.668 176.600 0.014 0.000 0.984 499 E CA 0.633 57.041 56.400 0.012 0.000 0.806 499 E CB -0.321 29.385 29.700 0.010 0.000 0.750 499 E HN 0.382 nan 8.360 nan 0.000 0.458 500 L N 1.665 122.899 121.223 0.018 0.000 2.079 500 L HA -0.179 4.146 4.340 -0.025 0.000 0.210 500 L C 1.598 178.478 176.870 0.016 0.000 1.081 500 L CA 1.953 56.804 54.840 0.019 0.000 0.752 500 L CB -0.514 41.560 42.059 0.026 0.000 0.896 500 L HN -0.045 nan 8.230 nan 0.000 0.433 501 D N -0.089 120.320 120.400 0.016 0.000 2.117 501 D HA -0.166 4.459 4.640 -0.025 0.000 0.197 501 D C 2.226 178.532 176.300 0.011 0.000 0.987 501 D CA 1.522 55.530 54.000 0.013 0.000 0.829 501 D CB -0.246 40.562 40.800 0.013 0.000 0.961 501 D HN 0.507 nan 8.370 nan 0.000 0.460 502 A N 0.671 123.497 122.820 0.011 0.000 1.902 502 A HA -0.143 4.162 4.320 -0.025 0.000 0.217 502 A C 2.160 179.749 177.584 0.008 0.000 1.181 502 A CA 1.044 53.087 52.037 0.009 0.000 0.623 502 A CB -0.727 18.278 19.000 0.008 0.000 0.818 502 A HN 0.252 nan 8.150 nan 0.000 0.443 503 L N -0.559 120.669 121.223 0.009 0.000 2.083 503 L HA -0.107 4.218 4.340 -0.025 0.000 0.209 503 L C 2.459 179.334 176.870 0.009 0.000 1.083 503 L CA 1.987 56.832 54.840 0.009 0.000 0.752 503 L CB -0.464 41.600 42.059 0.010 0.000 0.899 503 L HN 0.441 nan 8.230 nan 0.000 0.433 504 M N -1.189 118.417 119.600 0.010 0.000 2.159 504 M HA -0.208 4.257 4.480 -0.025 0.000 0.263 504 M C 2.356 178.661 176.300 0.007 0.000 1.063 504 M CA 1.604 56.910 55.300 0.009 0.000 1.110 504 M CB -0.379 32.227 32.600 0.010 0.000 1.374 504 M HN 0.192 nan 8.290 nan 0.000 0.411 505 R N 0.291 120.795 120.500 0.007 0.000 2.081 505 R HA -0.147 4.178 4.340 -0.025 0.000 0.235 505 R C 2.022 178.325 176.300 0.006 0.000 1.131 505 R CA 1.515 57.619 56.100 0.006 0.000 0.960 505 R CB -0.381 29.922 30.300 0.006 0.000 0.856 505 R HN 0.514 nan 8.270 nan 0.000 0.436 506 E N 0.651 120.854 120.200 0.006 0.000 2.077 506 E HA -0.163 4.172 4.350 -0.025 0.000 0.193 506 E C 2.096 178.699 176.600 0.005 0.000 0.989 506 E CA 0.972 57.375 56.400 0.005 0.000 0.800 506 E CB -0.081 29.622 29.700 0.005 0.000 0.746 506 E HN 0.295 nan 8.360 nan 0.000 0.452 507 L N -0.405 120.821 121.223 0.006 0.000 2.046 507 L HA -0.082 4.243 4.340 -0.025 0.000 0.208 507 L C 1.664 178.537 176.870 0.005 0.000 1.077 507 L CA 1.039 55.882 54.840 0.005 0.000 0.747 507 L CB -0.508 41.555 42.059 0.006 0.000 0.896 507 L HN 0.400 nan 8.230 nan 0.000 0.432 508 G N -0.232 108.571 108.800 0.005 0.000 2.149 508 G HA2 -0.218 3.727 3.960 -0.025 0.000 0.235 508 G HA3 -0.218 3.727 3.960 -0.025 0.000 0.235 508 G C 0.315 175.217 174.900 0.004 0.000 1.018 508 G CA -0.025 45.078 45.100 0.004 0.000 0.728 508 G HN 0.579 nan 8.290 nan 0.000 0.508 509 A N 0.157 122.980 122.820 0.005 0.000 2.483 509 A HA 0.697 5.002 4.320 -0.025 0.000 0.238 509 A C 1.228 178.814 177.584 0.004 0.000 1.070 509 A CA 0.936 52.975 52.037 0.005 0.000 0.770 509 A CB 0.278 19.281 19.000 0.005 0.000 1.008 509 A HN 2.061 nan 8.150 nan 0.000 0.497 510 S N 0.916 116.618 115.700 0.003 0.000 2.624 510 S HA 0.368 4.823 4.470 -0.025 0.000 0.263 510 S C -0.293 174.309 174.600 0.003 0.000 1.287 510 S CA -0.193 58.009 58.200 0.003 0.000 0.990 510 S CB 0.689 63.890 63.200 0.002 0.000 0.950 510 S HN 0.740 nan 8.310 nan 0.000 0.561 511 D N 0.214 120.615 120.400 0.002 0.000 2.453 511 D HA 0.350 4.975 4.640 -0.025 0.000 0.223 511 D C -0.352 175.949 176.300 0.001 0.000 1.183 511 D CA -0.308 53.694 54.000 0.002 0.000 0.933 511 D CB -0.235 40.566 40.800 0.003 0.000 1.038 511 D HN 0.667 nan 8.370 nan 0.000 0.513 512 E N 0.135 120.336 120.200 0.000 0.000 2.383 512 E HA 0.528 4.863 4.350 -0.025 0.000 0.275 512 E C 0.177 176.776 176.600 -0.003 0.000 0.918 512 E CA -1.225 55.174 56.400 -0.002 0.000 0.764 512 E CB 2.011 31.710 29.700 -0.002 0.000 1.252 512 E HN 0.267 nan 8.360 nan 0.000 0.449 513 A N 1.685 124.501 122.820 -0.005 0.000 1.902 513 A HA -0.196 4.109 4.320 -0.025 0.000 0.217 513 A C 1.364 178.943 177.584 -0.009 0.000 1.181 513 A CA 1.757 53.789 52.037 -0.008 0.000 0.623 513 A CB -0.351 18.642 19.000 -0.012 0.000 0.818 513 A HN 0.598 nan 8.150 nan 0.000 0.443 514 D N 0.108 120.503 120.400 -0.008 0.000 2.117 514 D HA -0.121 4.505 4.640 -0.025 0.000 0.197 514 D C 1.909 178.207 176.300 -0.004 0.000 0.987 514 D CA 0.800 54.795 54.000 -0.008 0.000 0.829 514 D CB -0.229 40.568 40.800 -0.006 0.000 0.961 514 D HN 0.259 nan 8.370 nan 0.000 0.460 515 L N 0.816 122.038 121.223 -0.002 0.000 2.046 515 L HA -0.140 4.185 4.340 -0.025 0.000 0.208 515 L C 2.337 179.209 176.870 0.003 0.000 1.077 515 L CA 1.291 56.132 54.840 0.001 0.000 0.747 515 L CB -1.239 40.821 42.059 0.003 0.000 0.896 515 L HN 0.152 nan 8.230 nan 0.000 0.432 516 Q N 0.750 120.551 119.800 0.001 0.000 2.084 516 Q HA -0.195 4.131 4.340 -0.025 0.000 0.202 516 Q C 2.311 178.312 176.000 0.001 0.000 0.978 516 Q CA 1.453 57.257 55.803 0.003 0.000 0.844 516 Q CB 0.009 28.747 28.738 -0.000 0.000 0.898 516 Q HN 0.439 nan 8.270 nan 0.000 0.426 517 R N -0.158 120.338 120.500 -0.007 0.000 2.081 517 R HA -0.127 4.198 4.340 -0.025 0.000 0.235 517 R C 2.518 178.816 176.300 -0.003 0.000 1.131 517 R CA 1.576 57.667 56.100 -0.014 0.000 0.960 517 R CB -0.135 30.152 30.300 -0.022 0.000 0.856 517 R HN 0.417 nan 8.270 nan 0.000 0.436 518 Q N 0.473 120.274 119.800 0.002 0.000 2.084 518 Q HA -0.128 4.197 4.340 -0.025 0.000 0.202 518 Q C 2.254 178.265 176.000 0.018 0.000 0.978 518 Q CA 1.258 57.066 55.803 0.009 0.000 0.844 518 Q CB -0.105 28.637 28.738 0.007 0.000 0.898 518 Q HN 0.356 nan 8.270 nan 0.000 0.426 519 L N 0.136 121.371 121.223 0.019 0.000 2.056 519 L HA -0.186 4.139 4.340 -0.025 0.000 0.207 519 L C 2.373 179.270 176.870 0.044 0.000 1.078 519 L CA 0.481 55.338 54.840 0.028 0.000 0.749 519 L CB -0.412 41.662 42.059 0.024 0.000 0.901 519 L HN 0.258 nan 8.230 nan 0.000 0.433 520 L N 0.251 121.500 121.223 0.044 0.000 2.131 520 L HA -0.214 4.111 4.340 -0.025 0.000 0.210 520 L C 2.441 179.376 176.870 0.108 0.000 1.092 520 L CA 1.690 56.574 54.840 0.073 0.000 0.759 520 L CB -0.542 41.534 42.059 0.028 0.000 0.903 520 L HN 0.278 nan 8.230 nan 0.000 0.435 521 E N -0.459 119.781 120.200 0.066 0.000 2.038 521 E HA -0.271 4.064 4.350 -0.025 0.000 0.195 521 E C 1.951 178.617 176.600 0.111 0.000 1.000 521 E CA 1.843 58.291 56.400 0.079 0.000 0.803 521 E CB -0.104 29.621 29.700 0.042 0.000 0.750 521 E HN 0.682 nan 8.360 nan 0.000 0.448 522 E N -0.046 120.200 120.200 0.076 0.000 2.046 522 E HA -0.132 4.204 4.350 -0.025 0.000 0.190 522 E C 2.070 178.711 176.600 0.068 0.000 0.982 522 E CA 0.770 57.207 56.400 0.062 0.000 0.800 522 E CB -0.120 29.603 29.700 0.039 0.000 0.756 522 E HN 0.345 nan 8.360 nan 0.000 0.449 523 A N 1.086 123.953 122.820 0.078 0.000 1.902 523 A HA -0.184 4.121 4.320 -0.025 0.000 0.217 523 A C 1.988 179.618 177.584 0.076 0.000 1.181 523 A CA 1.066 53.142 52.037 0.065 0.000 0.623 523 A CB -0.722 18.319 19.000 0.069 0.000 0.818 523 A HN 0.323 nan 8.150 nan 0.000 0.443 524 F N 1.197 121.149 119.950 0.003 0.000 2.134 524 F HA -0.028 4.484 4.527 -0.025 0.000 0.299 524 F C 2.295 178.098 175.800 0.004 0.000 1.097 524 F CA 1.581 59.584 58.000 0.004 0.000 1.264 524 F CB -0.674 38.328 39.000 0.004 0.000 1.001 524 F HN 0.199 nan 8.300 nan 0.000 0.479 525 G N -0.436 108.396 108.800 0.053 0.000 2.422 525 G HA2 -0.199 3.746 3.960 -0.025 0.000 0.218 525 G HA3 -0.199 3.746 3.960 -0.025 0.000 0.218 525 G C 1.927 176.750 174.900 -0.127 0.000 1.146 525 G CA 0.660 45.739 45.100 -0.035 0.000 0.769 525 G HN 0.622 nan 8.290 nan 0.000 0.547 526 G N 0.496 109.243 108.800 -0.087 0.000 2.418 526 G HA2 -0.157 3.788 3.960 -0.025 0.000 0.217 526 G HA3 -0.157 3.788 3.960 -0.025 0.000 0.217 526 G C 1.766 176.591 174.900 -0.125 0.000 1.158 526 G CA 1.210 46.263 45.100 -0.079 0.000 0.771 526 G HN 0.324 nan 8.290 nan 0.000 0.545 527 V N 0.748 120.543 119.914 -0.198 0.000 2.407 527 V HA -0.183 3.922 4.120 -0.025 0.000 0.248 527 V C 2.767 178.726 176.094 -0.226 0.000 1.055 527 V CA 2.238 64.412 62.300 -0.209 0.000 1.049 527 V CB -0.440 31.223 31.823 -0.267 0.000 0.662 527 V HN 0.370 nan 8.190 nan 0.000 0.455 528 K N 0.152 120.360 120.400 -0.320 0.000 2.063 528 K HA -0.155 4.150 4.320 -0.025 0.000 0.208 528 K C 1.309 177.834 176.600 -0.125 0.000 1.048 528 K CA 0.963 57.109 56.287 -0.235 0.000 0.928 528 K CB -0.114 32.252 32.500 -0.223 0.000 0.713 528 K HN 0.621 nan 8.250 nan 0.000 0.442 529 E N 0.000 120.138 120.200 -0.104 0.000 2.725 529 E HA 0.000 4.335 4.350 -0.025 0.000 0.291 529 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 529 E CB 0.000 29.671 29.700 -0.048 0.000 0.812 529 E HN 0.000 nan 8.360 nan 0.000 0.440