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 1ush_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKXXXX DATA SEQUENCE XXXXXXRVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.049 175.900 0.248 0.000 1.272 26 Y CA 0.000 58.215 58.100 0.192 0.000 1.940 26 Y CB 0.000 38.606 38.460 0.243 0.000 1.050 27 E N 1.579 122.153 120.200 0.624 0.000 2.373 27 E HA 0.173 4.526 4.350 0.005 0.000 0.267 27 E C -0.814 176.085 176.600 0.498 0.000 1.032 27 E CA -0.742 55.890 56.400 0.387 0.000 0.889 27 E CB 0.904 30.744 29.700 0.233 0.000 0.984 27 E HN 0.550 nan 8.360 nan 0.000 0.425 28 Q N 1.794 121.766 119.800 0.287 0.000 2.352 28 Q HA -0.024 4.319 4.340 0.005 0.000 0.260 28 Q C -0.671 175.428 176.000 0.165 0.000 0.976 28 Q CA 0.436 56.398 55.803 0.266 0.000 0.881 28 Q CB 0.431 29.254 28.738 0.141 0.000 1.235 28 Q HN 0.421 nan 8.270 nan 0.000 0.419 29 D N 0.566 121.040 120.400 0.124 0.000 3.077 29 D HA -0.223 4.420 4.640 0.005 0.000 0.217 29 D C -0.779 175.518 176.300 -0.004 0.000 1.162 29 D CA 1.236 55.259 54.000 0.039 0.000 0.943 29 D CB -0.845 39.972 40.800 0.029 0.000 1.122 29 D HN 0.579 nan 8.370 nan 0.000 0.413 30 K N 0.425 120.825 120.400 -0.001 0.000 2.172 30 K HA 0.388 4.711 4.320 0.005 0.000 0.276 30 K C -0.621 175.844 176.600 -0.226 0.000 1.013 30 K CA -0.147 56.041 56.287 -0.165 0.000 0.913 30 K CB 0.935 33.271 32.500 -0.273 0.000 1.055 30 K HN -0.188 nan 8.250 nan 0.000 0.461 31 T N 4.288 118.696 114.554 -0.245 0.000 2.756 31 T HA 0.278 4.631 4.350 0.005 0.000 0.290 31 T C -1.191 173.430 174.700 -0.132 0.000 0.985 31 T CA -0.316 61.719 62.100 -0.108 0.000 0.955 31 T CB 0.009 68.847 68.868 -0.050 0.000 0.930 31 T HN 0.325 nan 8.240 nan 0.000 0.451 32 Y N 2.184 122.556 120.300 0.121 0.000 2.330 32 Y HA 0.439 4.992 4.550 0.005 0.000 0.336 32 Y C 0.810 176.780 175.900 0.116 0.000 1.036 32 Y CA -0.988 57.187 58.100 0.124 0.000 1.125 32 Y CB 1.074 39.629 38.460 0.159 0.000 1.194 32 Y HN 0.337 nan 8.280 nan 0.000 0.469 33 K N 4.665 125.201 120.400 0.225 0.000 2.213 33 K HA 0.632 4.955 4.320 0.005 0.000 0.270 33 K C -1.169 175.524 176.600 0.154 0.000 1.002 33 K CA -0.322 56.063 56.287 0.163 0.000 0.868 33 K CB 1.250 33.807 32.500 0.095 0.000 1.093 33 K HN 0.559 nan 8.250 nan 0.000 0.454 34 I N 1.861 122.529 120.570 0.164 0.000 2.466 34 I HA 0.206 4.379 4.170 0.005 0.000 0.289 34 I C -0.478 175.729 176.117 0.150 0.000 1.026 34 I CA -0.671 60.700 61.300 0.119 0.000 1.078 34 I CB 2.334 40.378 38.000 0.073 0.000 1.249 34 I HN 0.444 nan 8.210 nan 0.000 0.429 35 T N 5.507 120.112 114.554 0.086 0.000 2.770 35 T HA 0.452 4.805 4.350 0.005 0.000 0.283 35 T C -0.285 174.454 174.700 0.065 0.000 0.988 35 T CA -0.419 61.731 62.100 0.082 0.000 0.957 35 T CB 1.572 70.453 68.868 0.021 0.000 0.930 35 T HN 0.176 nan 8.240 nan 0.000 0.443 36 V N 5.837 125.830 119.914 0.132 0.000 2.347 36 V HA 0.427 4.550 4.120 0.005 0.000 0.280 36 V C -0.042 176.122 176.094 0.116 0.000 1.021 36 V CA -0.740 61.620 62.300 0.100 0.000 0.847 36 V CB 0.957 32.873 31.823 0.154 0.000 0.990 36 V HN 0.722 nan 8.190 nan 0.000 0.444 37 L N 5.879 127.123 121.223 0.036 0.000 2.343 37 L HA 0.747 5.090 4.340 0.005 0.000 0.275 37 L C -0.253 176.671 176.870 0.091 0.000 1.056 37 L CA -0.530 54.315 54.840 0.008 0.000 0.804 37 L CB 1.476 43.469 42.059 -0.110 0.000 1.203 37 L HN 0.945 nan 8.230 nan 0.000 0.440 38 H N -0.593 118.476 119.070 -0.001 0.000 3.046 38 H HA 0.778 5.337 4.556 0.005 0.000 0.361 38 H C -1.091 174.299 175.328 0.104 0.000 1.235 38 H CA -0.812 55.270 56.048 0.058 0.000 1.146 38 H CB 1.835 31.653 29.762 0.093 0.000 1.859 38 H HN 0.550 nan 8.280 nan 0.000 0.548 39 T N 0.452 115.118 114.554 0.186 0.000 2.812 39 T HA 0.609 4.962 4.350 0.005 0.000 0.294 39 T C -1.132 173.702 174.700 0.223 0.000 1.159 39 T CA -0.906 61.292 62.100 0.164 0.000 1.008 39 T CB 2.123 71.115 68.868 0.207 0.000 1.289 39 T HN 1.168 nan 8.240 nan 0.000 0.514 40 N N -0.935 117.879 118.700 0.190 0.000 3.127 40 N HA 0.239 4.982 4.740 0.005 0.000 0.239 40 N C -1.730 173.881 175.510 0.168 0.000 1.407 40 N CA -0.684 52.477 53.050 0.186 0.000 0.891 40 N CB 0.793 39.405 38.487 0.209 0.000 1.447 40 N HN 0.831 nan 8.380 nan 0.000 0.507 41 D N -0.365 120.127 120.400 0.154 0.000 2.686 41 D HA -0.222 4.421 4.640 0.005 0.000 0.235 41 D C 0.796 177.170 176.300 0.122 0.000 1.160 41 D CA 1.235 55.280 54.000 0.074 0.000 0.645 41 D CB -1.283 39.671 40.800 0.258 0.000 1.039 41 D HN 0.687 nan 8.370 nan 0.000 0.423 42 H N 0.742 119.797 119.070 -0.025 0.000 2.352 42 H HA -0.166 4.394 4.556 0.006 0.000 0.299 42 H C 0.794 176.241 175.328 0.198 0.000 1.097 42 H CA 2.291 58.369 56.048 0.050 0.000 1.311 42 H CB 0.119 29.837 29.762 -0.074 0.000 1.377 42 H HN 0.457 nan 8.280 nan 0.000 0.504 43 H N -0.840 118.294 119.070 0.108 0.000 2.527 43 H HA -0.164 4.395 4.556 0.005 0.000 0.321 43 H C 1.520 176.764 175.328 -0.141 0.000 1.092 43 H CA 1.244 57.313 56.048 0.035 0.000 1.118 43 H CB -1.674 28.165 29.762 0.129 0.000 1.536 43 H HN 0.828 nan 8.280 nan 0.000 0.407 44 G N -0.097 108.662 108.800 -0.069 0.000 2.162 44 G HA2 -0.358 3.605 3.960 0.005 0.000 0.260 44 G HA3 -0.358 3.605 3.960 0.005 0.000 0.260 44 G C 0.281 174.964 174.900 -0.362 0.000 0.976 44 G CA 0.627 45.661 45.100 -0.110 0.000 0.655 44 G HN 0.711 nan 8.290 nan 0.000 0.533 45 H N 0.380 119.035 119.070 -0.692 0.000 3.001 45 H HA 0.366 4.925 4.556 0.005 0.000 0.248 45 H C 1.711 176.978 175.328 -0.102 0.000 1.663 45 H CA 0.230 55.966 56.048 -0.519 0.000 1.258 45 H CB -0.895 28.484 29.762 -0.639 0.000 1.547 45 H HN 0.596 nan 8.280 nan 0.000 0.557 46 F N -2.311 117.760 119.950 0.202 0.000 2.293 46 F HA -0.015 4.515 4.527 0.005 0.000 0.300 46 F C 0.851 176.856 175.800 0.343 0.000 1.086 46 F CA -0.184 58.013 58.000 0.329 0.000 1.375 46 F CB 0.017 39.142 39.000 0.208 0.000 1.045 46 F HN 0.228 nan 8.300 nan 0.000 0.516 47 W N 4.674 125.633 121.300 -0.569 0.000 2.509 47 W HA 0.360 5.024 4.660 0.005 0.000 0.351 47 W C 0.088 176.538 176.519 -0.116 0.000 1.107 47 W CA -1.475 55.663 57.345 -0.346 0.000 1.264 47 W CB 1.201 30.278 29.460 -0.637 0.000 1.312 47 W HN -0.090 nan 8.180 nan 0.000 0.608 48 R N 2.782 123.044 120.500 -0.396 0.000 2.694 48 R HA 0.064 4.407 4.340 0.005 0.000 0.268 48 R C 0.295 176.451 176.300 -0.241 0.000 1.061 48 R CA -0.260 55.633 56.100 -0.347 0.000 1.133 48 R CB 0.187 30.207 30.300 -0.467 0.000 1.020 48 R HN 0.448 nan 8.270 nan 0.000 0.475 49 N N 0.571 118.994 118.700 -0.461 0.000 2.366 49 N HA -0.096 4.647 4.740 0.005 0.000 0.277 49 N C 0.513 175.863 175.510 -0.266 0.000 1.275 49 N CA -0.075 52.793 53.050 -0.303 0.000 0.964 49 N CB 0.176 38.443 38.487 -0.366 0.000 1.167 49 N HN 0.824 nan 8.380 nan 0.000 0.568 50 E N -1.560 118.438 120.200 -0.337 0.000 2.333 50 E HA -0.213 4.140 4.350 0.005 0.000 0.198 50 E C 0.119 176.439 176.600 -0.468 0.000 1.007 50 E CA 1.230 57.369 56.400 -0.435 0.000 0.845 50 E CB -0.570 28.764 29.700 -0.611 0.000 0.766 50 E HN 0.643 nan 8.360 nan 0.000 0.507 51 Y N 0.252 120.491 120.300 -0.102 0.000 2.524 51 Y HA 0.384 4.937 4.550 0.005 0.000 0.266 51 Y C 1.471 177.291 175.900 -0.133 0.000 1.180 51 Y CA -0.255 57.788 58.100 -0.097 0.000 1.244 51 Y CB 0.791 39.206 38.460 -0.076 0.000 1.125 51 Y HN 0.184 nan 8.280 nan 0.000 0.524 52 G N 0.444 109.185 108.800 -0.098 0.000 2.147 52 G HA2 -0.279 3.684 3.960 0.005 0.000 0.244 52 G HA3 -0.279 3.684 3.960 0.005 0.000 0.244 52 G C -0.046 174.741 174.900 -0.189 0.000 1.005 52 G CA -0.023 44.992 45.100 -0.143 0.000 0.713 52 G HN 0.426 nan 8.290 nan 0.000 0.515 53 E N -0.364 119.656 120.200 -0.300 0.000 2.277 53 E HA 0.535 4.888 4.350 0.005 0.000 0.274 53 E C 1.043 177.284 176.600 -0.599 0.000 1.022 53 E CA -0.459 55.722 56.400 -0.364 0.000 0.853 53 E CB 0.787 30.285 29.700 -0.336 0.000 1.086 53 E HN 0.986 nan 8.360 nan 0.000 0.397 54 Y N 0.439 120.726 120.300 -0.023 0.000 2.822 54 Y HA -0.337 4.216 4.550 0.005 0.000 0.451 54 Y C 0.417 176.296 175.900 -0.036 0.000 1.167 54 Y CA 0.372 58.461 58.100 -0.019 0.000 2.436 54 Y CB -1.900 36.564 38.460 0.007 0.000 1.199 54 Y HN 1.031 nan 8.280 nan 0.000 0.647 55 G N -1.358 107.675 108.800 0.389 0.000 2.663 55 G HA2 0.036 3.999 3.960 0.005 0.000 0.686 55 G HA3 0.036 3.999 3.960 0.005 0.000 0.686 55 G C -0.257 174.744 174.900 0.167 0.000 1.246 55 G CA -0.399 44.821 45.100 0.201 0.000 0.795 55 G HN 1.292 nan 8.290 nan 0.000 0.627 56 L N 0.844 122.182 121.223 0.192 0.000 2.395 56 L HA 0.140 4.483 4.340 0.005 0.000 0.218 56 L C 3.080 179.999 176.870 0.081 0.000 1.130 56 L CA 1.514 56.448 54.840 0.156 0.000 0.826 56 L CB -0.532 41.635 42.059 0.181 0.000 0.941 56 L HN 0.869 nan 8.230 nan 0.000 0.451 57 A N 0.332 123.167 122.820 0.025 0.000 1.898 57 A HA -0.075 4.248 4.320 0.005 0.000 0.216 57 A C 2.526 180.095 177.584 -0.024 0.000 1.181 57 A CA 1.533 53.560 52.037 -0.018 0.000 0.620 57 A CB -0.432 18.508 19.000 -0.100 0.000 0.819 57 A HN 0.354 nan 8.150 nan 0.000 0.442 58 A N -0.938 121.863 122.820 -0.033 0.000 1.929 58 A HA -0.137 4.186 4.320 0.005 0.000 0.216 58 A C 2.155 179.741 177.584 0.003 0.000 1.176 58 A CA 1.580 53.603 52.037 -0.023 0.000 0.628 58 A CB -0.519 18.464 19.000 -0.028 0.000 0.816 58 A HN 0.626 nan 8.150 nan 0.000 0.444 59 Q N -0.269 119.549 119.800 0.030 0.000 2.096 59 Q HA -0.274 4.070 4.340 0.005 0.000 0.204 59 Q C 2.079 178.082 176.000 0.005 0.000 0.982 59 Q CA 2.106 57.928 55.803 0.033 0.000 0.850 59 Q CB -0.110 28.674 28.738 0.076 0.000 0.901 59 Q HN 0.490 nan 8.270 nan 0.000 0.422 60 K N -0.111 120.297 120.400 0.013 0.000 2.032 60 K HA -0.123 4.200 4.320 0.005 0.000 0.209 60 K C 1.870 178.463 176.600 -0.012 0.000 1.048 60 K CA 2.373 58.661 56.287 0.001 0.000 0.927 60 K CB -0.792 31.719 32.500 0.019 0.000 0.712 60 K HN 0.186 nan 8.250 nan 0.000 0.441 61 T N 1.531 116.079 114.554 -0.010 0.000 2.684 61 T HA -0.152 4.202 4.350 0.005 0.000 0.267 61 T C 1.626 176.314 174.700 -0.021 0.000 1.036 61 T CA 1.461 63.552 62.100 -0.015 0.000 1.148 61 T CB -0.369 68.489 68.868 -0.017 0.000 0.863 61 T HN 0.208 nan 8.240 nan 0.000 0.436 62 L N 1.290 122.500 121.223 -0.022 0.000 1.994 62 L HA -0.027 4.316 4.340 0.005 0.000 0.208 62 L C 2.476 179.320 176.870 -0.043 0.000 1.071 62 L CA 1.579 56.402 54.840 -0.028 0.000 0.745 62 L CB -0.845 41.199 42.059 -0.024 0.000 0.892 62 L HN 0.081 nan 8.230 nan 0.000 0.431 63 V N 0.033 119.914 119.914 -0.056 0.000 2.343 63 V HA -0.290 3.833 4.120 0.005 0.000 0.247 63 V C 2.315 178.371 176.094 -0.064 0.000 1.051 63 V CA 1.914 64.165 62.300 -0.082 0.000 1.036 63 V CB -0.880 30.867 31.823 -0.127 0.000 0.654 63 V HN 0.456 nan 8.190 nan 0.000 0.451 64 D N 0.730 121.102 120.400 -0.046 0.000 2.123 64 D HA -0.137 4.506 4.640 0.005 0.000 0.196 64 D C 2.213 178.495 176.300 -0.030 0.000 0.992 64 D CA 1.715 55.696 54.000 -0.032 0.000 0.833 64 D CB -0.682 40.107 40.800 -0.019 0.000 0.954 64 D HN 0.468 nan 8.370 nan 0.000 0.455 65 G N 0.715 109.498 108.800 -0.029 0.000 2.421 65 G HA2 -0.216 3.747 3.960 0.005 0.000 0.216 65 G HA3 -0.216 3.747 3.960 0.005 0.000 0.216 65 G C 1.813 176.695 174.900 -0.030 0.000 1.171 65 G CA 0.450 45.535 45.100 -0.026 0.000 0.775 65 G HN 0.283 nan 8.290 nan 0.000 0.543 66 I N 0.145 120.691 120.570 -0.040 0.000 2.226 66 I HA -0.142 4.031 4.170 0.005 0.000 0.245 66 I C 3.035 179.129 176.117 -0.038 0.000 1.100 66 I CA 0.871 62.145 61.300 -0.044 0.000 1.374 66 I CB -0.211 37.755 38.000 -0.058 0.000 1.057 66 I HN 0.087 nan 8.210 nan 0.000 0.413 67 R N 0.786 121.261 120.500 -0.042 0.000 2.091 67 R HA -0.220 4.123 4.340 0.005 0.000 0.238 67 R C 2.336 178.624 176.300 -0.020 0.000 1.136 67 R CA 1.480 57.560 56.100 -0.034 0.000 0.959 67 R CB -0.358 29.920 30.300 -0.036 0.000 0.856 67 R HN 0.324 nan 8.270 nan 0.000 0.437 68 K N 1.226 121.615 120.400 -0.018 0.000 2.026 68 K HA -0.228 4.095 4.320 0.005 0.000 0.208 68 K C 2.099 178.693 176.600 -0.010 0.000 1.048 68 K CA 1.740 58.020 56.287 -0.011 0.000 0.929 68 K CB -0.026 32.467 32.500 -0.011 0.000 0.713 68 K HN 0.165 nan 8.250 nan 0.000 0.439 69 E N 0.193 120.384 120.200 -0.015 0.000 2.023 69 E HA -0.197 4.156 4.350 0.005 0.000 0.196 69 E C 1.867 178.461 176.600 -0.010 0.000 1.003 69 E CA 1.854 58.246 56.400 -0.014 0.000 0.809 69 E CB -0.006 29.682 29.700 -0.020 0.000 0.755 69 E HN 0.171 nan 8.360 nan 0.000 0.449 70 V N 1.342 121.249 119.914 -0.011 0.000 2.407 70 V HA -0.246 3.878 4.120 0.005 0.000 0.248 70 V C 2.516 178.613 176.094 0.005 0.000 1.055 70 V CA 1.702 64.000 62.300 -0.003 0.000 1.049 70 V CB -0.820 31.000 31.823 -0.006 0.000 0.662 70 V HN 0.471 nan 8.190 nan 0.000 0.455 71 A N 0.236 123.058 122.820 0.002 0.000 1.883 71 A HA -0.148 4.175 4.320 0.005 0.000 0.217 71 A C 2.424 180.013 177.584 0.009 0.000 1.186 71 A CA 2.139 54.181 52.037 0.008 0.000 0.624 71 A CB -0.815 18.189 19.000 0.005 0.000 0.822 71 A HN 0.581 nan 8.150 nan 0.000 0.444 72 A N -0.241 122.582 122.820 0.004 0.000 2.019 72 A HA -0.128 4.195 4.320 0.005 0.000 0.219 72 A C 1.747 179.334 177.584 0.004 0.000 1.164 72 A CA 1.499 53.538 52.037 0.003 0.000 0.644 72 A CB -0.442 18.558 19.000 -0.000 0.000 0.805 72 A HN 0.663 nan 8.150 nan 0.000 0.449 73 E N -1.372 118.831 120.200 0.005 0.000 2.502 73 E HA 0.262 4.616 4.350 0.005 0.000 0.194 73 E C 1.066 177.674 176.600 0.013 0.000 1.062 73 E CA 0.225 56.628 56.400 0.006 0.000 0.867 73 E CB -0.106 29.597 29.700 0.005 0.000 0.888 73 E HN 0.713 nan 8.360 nan 0.000 0.510 74 G N 1.211 110.021 108.800 0.017 0.000 2.143 74 G HA2 -0.261 3.702 3.960 0.005 0.000 0.248 74 G HA3 -0.261 3.702 3.960 0.005 0.000 0.248 74 G C 0.464 175.389 174.900 0.042 0.000 0.991 74 G CA -0.055 45.060 45.100 0.026 0.000 0.689 74 G HN 0.492 nan 8.290 nan 0.000 0.522 75 G N -0.951 107.874 108.800 0.041 0.000 2.532 75 G HA2 0.718 4.681 3.960 0.005 0.000 0.291 75 G HA3 0.718 4.681 3.960 0.005 0.000 0.291 75 G C -0.072 174.859 174.900 0.051 0.000 1.349 75 G CA 0.442 45.576 45.100 0.058 0.000 1.038 75 G HN 0.887 nan 8.290 nan 0.000 0.518 76 S N -2.069 113.661 115.700 0.050 0.000 2.568 76 S HA 0.677 5.151 4.470 0.005 0.000 0.293 76 S C -0.877 173.723 174.600 0.001 0.000 1.089 76 S CA -0.457 57.757 58.200 0.025 0.000 0.945 76 S CB 2.098 65.311 63.200 0.023 0.000 1.077 76 S HN 0.472 nan 8.310 nan 0.000 0.485 77 V N 2.284 122.181 119.914 -0.028 0.000 2.735 77 V HA 0.637 4.760 4.120 0.005 0.000 0.310 77 V C -1.279 174.751 176.094 -0.107 0.000 1.061 77 V CA -0.662 61.605 62.300 -0.056 0.000 0.913 77 V CB 1.793 33.578 31.823 -0.064 0.000 1.005 77 V HN 0.683 nan 8.190 nan 0.000 0.428 78 L N 4.803 125.947 121.223 -0.132 0.000 2.409 78 L HA 0.701 5.044 4.340 0.005 0.000 0.272 78 L C -1.196 175.557 176.870 -0.195 0.000 0.980 78 L CA -0.393 54.312 54.840 -0.225 0.000 0.826 78 L CB 1.697 43.612 42.059 -0.241 0.000 1.268 78 L HN 0.626 nan 8.230 nan 0.000 0.407 79 L N 6.113 127.182 121.223 -0.257 0.000 2.298 79 L HA 0.694 5.037 4.340 0.005 0.000 0.284 79 L C -1.578 175.171 176.870 -0.202 0.000 1.013 79 L CA -0.068 54.599 54.840 -0.288 0.000 0.824 79 L CB 1.070 42.830 42.059 -0.499 0.000 1.221 79 L HN 0.543 nan 8.230 nan 0.000 0.418 80 L N 3.323 124.527 121.223 -0.032 0.000 2.341 80 L HA 0.684 5.027 4.340 0.005 0.000 0.267 80 L C -0.123 176.905 176.870 0.262 0.000 1.009 80 L CA -0.692 54.216 54.840 0.113 0.000 0.819 80 L CB 2.112 44.224 42.059 0.089 0.000 1.323 80 L HN 0.615 nan 8.230 nan 0.000 0.425 81 S N -0.249 115.602 115.700 0.252 0.000 2.482 81 S HA 0.535 5.008 4.470 0.005 0.000 0.303 81 S C 0.672 175.380 174.600 0.179 0.000 1.091 81 S CA -0.271 58.048 58.200 0.198 0.000 1.057 81 S CB 1.661 64.842 63.200 -0.031 0.000 1.031 81 S HN 0.798 nan 8.310 nan 0.000 0.485 82 G N 2.082 111.003 108.800 0.202 0.000 3.026 82 G HA2 0.481 4.444 3.960 0.005 0.000 0.208 82 G HA3 0.481 4.444 3.960 0.005 0.000 0.208 82 G C 0.906 175.996 174.900 0.318 0.000 1.169 82 G CA 0.220 45.461 45.100 0.234 0.000 0.788 82 G HN 1.542 nan 8.290 nan 0.000 0.533 83 G N 0.017 108.932 108.800 0.192 0.000 2.698 83 G HA2 0.075 4.038 3.960 0.005 0.000 0.225 83 G HA3 0.075 4.038 3.960 0.005 0.000 0.225 83 G C -0.252 174.661 174.900 0.021 0.000 1.345 83 G CA -0.111 45.048 45.100 0.098 0.000 0.871 83 G HN 0.710 nan 8.290 nan 0.000 0.540 84 D N -1.261 119.052 120.400 -0.145 0.000 2.760 84 D HA -0.129 4.514 4.640 0.005 0.000 0.244 84 D C 1.484 177.624 176.300 -0.266 0.000 1.123 84 D CA 0.981 54.860 54.000 -0.202 0.000 0.719 84 D CB -0.776 39.904 40.800 -0.201 0.000 1.045 84 D HN 0.594 nan 8.370 nan 0.000 0.426 85 I N -0.651 119.864 120.570 -0.093 0.000 2.480 85 I HA -0.050 4.123 4.170 0.005 0.000 0.251 85 I C 1.421 177.566 176.117 0.047 0.000 1.124 85 I CA 0.727 61.975 61.300 -0.086 0.000 1.444 85 I CB -0.496 37.250 38.000 -0.423 0.000 1.098 85 I HN 0.203 nan 8.210 nan 0.000 0.428 86 N N 1.954 120.736 118.700 0.137 0.000 2.482 86 N HA 0.073 4.816 4.740 0.005 0.000 0.260 86 N C -0.270 175.417 175.510 0.296 0.000 1.236 86 N CA 0.643 53.836 53.050 0.239 0.000 0.938 86 N CB 0.611 39.268 38.487 0.284 0.000 1.128 86 N HN 0.145 nan 8.380 nan 0.000 0.448 87 T N -0.097 114.615 114.554 0.263 0.000 0.600 87 T HA -0.014 4.339 4.350 0.005 0.000 0.767 87 T C 0.787 175.567 174.700 0.133 0.000 0.991 87 T CA 0.772 63.014 62.100 0.237 0.000 4.044 87 T CB -1.144 67.915 68.868 0.319 0.000 2.284 87 T HN 0.988 nan 8.240 nan 0.000 0.395 88 G N 0.752 109.581 108.800 0.048 0.000 3.254 88 G HA2 0.299 4.262 3.960 0.005 0.000 0.219 88 G HA3 0.299 4.262 3.960 0.005 0.000 0.219 88 G C -0.326 174.439 174.900 -0.225 0.000 0.964 88 G CA 0.098 45.154 45.100 -0.074 0.000 0.823 88 G HN 1.340 nan 8.290 nan 0.000 0.579 89 V N 1.261 121.042 119.914 -0.222 0.000 2.612 89 V HA 0.385 4.508 4.120 0.005 0.000 0.301 89 V C -1.484 174.533 176.094 -0.128 0.000 1.059 89 V CA -1.119 60.995 62.300 -0.309 0.000 0.886 89 V CB 2.441 33.935 31.823 -0.548 0.000 1.007 89 V HN -0.013 nan 8.190 nan 0.000 0.426 90 P HA -0.186 nan 4.420 nan 0.000 0.216 90 P C 1.211 178.501 177.300 -0.017 0.000 1.157 90 P CA 1.415 64.459 63.100 -0.093 0.000 0.880 90 P CB 0.417 31.847 31.700 -0.451 0.000 0.791 91 E N -1.081 119.090 120.200 -0.048 0.000 2.204 91 E HA -0.131 4.222 4.350 0.005 0.000 0.195 91 E C 2.149 178.892 176.600 0.237 0.000 0.990 91 E CA 1.300 57.749 56.400 0.083 0.000 0.821 91 E CB -0.914 28.832 29.700 0.076 0.000 0.750 91 E HN 0.176 nan 8.360 nan 0.000 0.477 92 S N 0.103 115.964 115.700 0.269 0.000 2.356 92 S HA -0.124 4.349 4.470 0.005 0.000 0.219 92 S C 1.348 176.040 174.600 0.153 0.000 1.036 92 S CA 0.983 59.339 58.200 0.260 0.000 0.965 92 S CB -0.243 63.113 63.200 0.259 0.000 0.864 92 S HN 0.107 nan 8.310 nan 0.000 0.471 93 D N 1.809 122.294 120.400 0.142 0.000 2.116 93 D HA -0.117 4.526 4.640 0.005 0.000 0.193 93 D C 1.848 178.244 176.300 0.159 0.000 0.998 93 D CA 1.154 55.250 54.000 0.161 0.000 0.836 93 D CB -0.612 40.293 40.800 0.176 0.000 0.951 93 D HN 0.394 nan 8.370 nan 0.000 0.449 94 L N -0.174 121.144 121.223 0.158 0.000 2.353 94 L HA -0.119 4.224 4.340 0.005 0.000 0.220 94 L C 1.438 178.385 176.870 0.127 0.000 1.133 94 L CA 0.985 55.913 54.840 0.146 0.000 0.798 94 L CB -0.176 41.971 42.059 0.148 0.000 0.922 94 L HN -0.004 nan 8.230 nan 0.000 0.445 95 Q N -1.121 118.755 119.800 0.126 0.000 2.135 95 Q HA 0.073 4.416 4.340 0.005 0.000 0.231 95 Q C -0.633 175.457 176.000 0.151 0.000 0.817 95 Q CA -0.286 55.592 55.803 0.124 0.000 1.073 95 Q CB 0.824 29.621 28.738 0.099 0.000 1.176 95 Q HN 0.159 nan 8.270 nan 0.000 0.478 96 D N 0.741 121.248 120.400 0.179 0.000 2.737 96 D HA -0.260 4.383 4.640 0.005 0.000 0.233 96 D C 0.399 176.882 176.300 0.305 0.000 1.155 96 D CA 1.163 55.305 54.000 0.237 0.000 0.667 96 D CB -1.143 39.819 40.800 0.270 0.000 1.060 96 D HN 0.591 nan 8.370 nan 0.000 0.427 97 A N -0.790 122.147 122.820 0.195 0.000 2.847 97 A HA -0.389 3.934 4.320 0.005 0.000 0.263 97 A C 1.558 179.187 177.584 0.074 0.000 1.391 97 A CA 2.370 54.514 52.037 0.179 0.000 0.866 97 A CB -1.997 17.210 19.000 0.345 0.000 1.057 97 A HN 0.606 nan 8.150 nan 0.000 0.673 98 E N 0.263 120.307 120.200 -0.260 0.000 2.058 98 E HA -0.171 4.182 4.350 0.005 0.000 0.194 98 E C -0.179 175.813 176.600 -1.014 0.000 0.997 98 E CA 1.314 57.140 56.400 -0.956 0.000 0.801 98 E CB -0.431 28.478 29.700 -1.319 0.000 0.746 98 E HN 0.631 nan 8.360 nan 0.000 0.450 99 P HA -0.157 nan 4.420 nan 0.000 0.216 99 P C 0.270 177.140 177.300 -0.717 0.000 1.150 99 P CA 1.749 63.958 63.100 -1.485 0.000 0.837 99 P CB -0.073 30.459 31.700 -1.948 0.000 0.786 100 D N -0.500 119.643 120.400 -0.428 0.000 2.097 100 D HA -0.130 4.513 4.640 0.005 0.000 0.197 100 D C 1.804 177.905 176.300 -0.332 0.000 0.984 100 D CA 1.098 54.959 54.000 -0.230 0.000 0.826 100 D CB -0.849 39.887 40.800 -0.106 0.000 0.973 100 D HN 0.126 nan 8.370 nan 0.000 0.460 101 F N 0.938 120.805 119.950 -0.139 0.000 2.146 101 F HA 0.003 4.533 4.527 0.005 0.000 0.298 101 F C 2.394 178.180 175.800 -0.023 0.000 1.096 101 F CA 0.952 58.947 58.000 -0.010 0.000 1.275 101 F CB -0.163 38.881 39.000 0.074 0.000 1.008 101 F HN -0.186 nan 8.300 nan 0.000 0.480 102 R N -0.120 120.354 120.500 -0.043 0.000 2.092 102 R HA -0.086 4.257 4.340 0.005 0.000 0.231 102 R C 2.575 178.877 176.300 0.005 0.000 1.119 102 R CA 1.139 57.206 56.100 -0.054 0.000 0.970 102 R CB -1.192 28.978 30.300 -0.217 0.000 0.864 102 R HN 0.398 nan 8.270 nan 0.000 0.440 103 G N 1.103 109.864 108.800 -0.065 0.000 2.421 103 G HA2 -0.270 3.693 3.960 0.005 0.000 0.216 103 G HA3 -0.270 3.693 3.960 0.005 0.000 0.216 103 G C 1.455 176.390 174.900 0.058 0.000 1.171 103 G CA 0.664 45.767 45.100 0.005 0.000 0.775 103 G HN 0.160 nan 8.290 nan 0.000 0.543 104 M N 0.654 120.268 119.600 0.023 0.000 2.149 104 M HA -0.079 4.404 4.480 0.005 0.000 0.261 104 M C 2.375 178.855 176.300 0.299 0.000 1.064 104 M CA 1.014 56.368 55.300 0.089 0.000 1.102 104 M CB -0.353 32.107 32.600 -0.233 0.000 1.369 104 M HN 0.127 nan 8.290 nan 0.000 0.408 105 N N 0.737 119.655 118.700 0.363 0.000 2.104 105 N HA -0.151 4.592 4.740 0.005 0.000 0.190 105 N C 1.579 177.214 175.510 0.208 0.000 1.024 105 N CA 1.233 54.493 53.050 0.352 0.000 0.853 105 N CB -0.453 38.193 38.487 0.265 0.000 1.008 105 N HN 0.236 nan 8.380 nan 0.000 0.424 106 L N 0.641 121.954 121.223 0.149 0.000 2.156 106 L HA 0.037 4.380 4.340 0.005 0.000 0.208 106 L C 1.860 178.777 176.870 0.079 0.000 1.095 106 L CA 0.957 55.858 54.840 0.102 0.000 0.770 106 L CB -0.287 41.823 42.059 0.085 0.000 0.914 106 L HN -0.114 nan 8.230 nan 0.000 0.439 107 V N 0.396 120.365 119.914 0.091 0.000 2.515 107 V HA 0.089 4.213 4.120 0.005 0.000 0.250 107 V C 1.571 177.639 176.094 -0.043 0.000 1.058 107 V CA 1.132 63.449 62.300 0.028 0.000 1.064 107 V CB -1.247 30.614 31.823 0.063 0.000 0.675 107 V HN 0.715 nan 8.190 nan 0.000 0.461 108 G N -1.130 107.685 108.800 0.025 0.000 2.270 108 G HA2 -0.241 3.722 3.960 0.005 0.000 0.224 108 G HA3 -0.241 3.722 3.960 0.005 0.000 0.224 108 G C -0.300 174.519 174.900 -0.135 0.000 1.079 108 G CA -0.484 44.609 45.100 -0.010 0.000 0.807 108 G HN 0.364 nan 8.290 nan 0.000 0.492 109 Y N 0.587 120.734 120.300 -0.254 0.000 2.597 109 Y HA 0.195 4.749 4.550 0.006 0.000 0.336 109 Y C 1.652 177.396 175.900 -0.259 0.000 1.216 109 Y CA 0.658 58.487 58.100 -0.452 0.000 1.463 109 Y CB 0.647 38.457 38.460 -1.082 0.000 1.303 109 Y HN 0.239 nan 8.280 nan 0.000 0.576 110 D N 1.333 121.682 120.400 -0.086 0.000 2.301 110 D HA 0.268 4.911 4.640 0.005 0.000 0.206 110 D C 0.181 176.662 176.300 0.303 0.000 0.979 110 D CA 0.886 54.899 54.000 0.021 0.000 0.874 110 D CB 0.470 41.009 40.800 -0.435 0.000 0.968 110 D HN 0.513 nan 8.370 nan 0.000 0.510 111 A N -0.004 122.954 122.820 0.230 0.000 2.567 111 A HA 0.596 4.920 4.320 0.005 0.000 0.291 111 A C -1.699 176.065 177.584 0.299 0.000 1.048 111 A CA -0.644 51.639 52.037 0.410 0.000 0.661 111 A CB 1.560 20.842 19.000 0.470 0.000 1.288 111 A HN 0.026 nan 8.150 nan 0.000 0.424 112 M N 1.097 120.914 119.600 0.361 0.000 2.433 112 M HA 0.706 5.189 4.480 0.005 0.000 0.290 112 M C -0.650 175.779 176.300 0.215 0.000 1.173 112 M CA -0.571 54.886 55.300 0.262 0.000 0.905 112 M CB 1.949 34.754 32.600 0.342 0.000 1.692 112 M HN 1.611 nan 8.290 nan 0.000 0.462 113 A N 4.544 127.471 122.820 0.179 0.000 2.354 113 A HA 0.591 4.914 4.320 0.005 0.000 0.269 113 A C -0.385 177.262 177.584 0.104 0.000 1.109 113 A CA -0.575 51.554 52.037 0.154 0.000 0.800 113 A CB 0.156 19.268 19.000 0.186 0.000 1.045 113 A HN 0.878 nan 8.150 nan 0.000 0.489 114 I N 2.346 122.938 120.570 0.037 0.000 2.533 114 I HA 0.256 4.429 4.170 0.005 0.000 0.284 114 I C 1.225 177.348 176.117 0.009 0.000 1.109 114 I CA 0.292 61.571 61.300 -0.034 0.000 1.412 114 I CB 0.797 38.679 38.000 -0.196 0.000 1.396 114 I HN 0.728 nan 8.210 nan 0.000 0.543 115 G N 4.148 112.864 108.800 -0.139 0.000 2.488 115 G HA2 0.106 4.069 3.960 0.005 0.000 0.318 115 G HA3 0.106 4.069 3.960 0.005 0.000 0.318 115 G C 0.878 175.697 174.900 -0.134 0.000 1.188 115 G CA -0.622 44.133 45.100 -0.575 0.000 0.944 115 G HN 0.735 nan 8.290 nan 0.000 0.495 116 N N -0.636 117.979 118.700 -0.142 0.000 2.244 116 N HA -0.169 4.574 4.740 0.005 0.000 0.183 116 N C 1.165 176.772 175.510 0.160 0.000 1.016 116 N CA 1.209 54.303 53.050 0.073 0.000 0.866 116 N CB -0.415 38.029 38.487 -0.072 0.000 0.980 116 N HN 0.617 nan 8.380 nan 0.000 0.430 117 H N 0.098 119.277 119.070 0.182 0.000 2.559 117 H HA 0.084 4.643 4.556 0.005 0.000 0.273 117 H C 0.755 176.200 175.328 0.196 0.000 1.000 117 H CA 0.544 56.739 56.048 0.245 0.000 1.195 117 H CB 0.356 30.296 29.762 0.296 0.000 1.368 117 H HN 0.311 nan 8.280 nan 0.000 0.592 118 E N -0.042 120.262 120.200 0.174 0.000 2.409 118 E HA -0.058 4.295 4.350 0.005 0.000 0.198 118 E C 0.592 177.013 176.600 -0.298 0.000 1.024 118 E CA 0.384 56.750 56.400 -0.057 0.000 0.861 118 E CB -0.136 29.443 29.700 -0.201 0.000 0.788 118 E HN 0.350 nan 8.360 nan 0.000 0.521 119 F N -0.299 119.774 119.950 0.205 0.000 2.664 119 F HA 0.147 4.677 4.527 0.005 0.000 0.303 119 F C 1.128 177.041 175.800 0.189 0.000 1.092 119 F CA -0.175 57.939 58.000 0.190 0.000 1.305 119 F CB 0.535 39.760 39.000 0.375 0.000 1.054 119 F HN -0.105 nan 8.300 nan 0.000 0.565 120 D N -0.213 120.393 120.400 0.344 0.000 2.219 120 D HA -0.063 4.581 4.640 0.005 0.000 0.205 120 D C 0.526 177.009 176.300 0.305 0.000 0.970 120 D CA 0.954 55.202 54.000 0.413 0.000 0.851 120 D CB -0.012 41.099 40.800 0.518 0.000 0.943 120 D HN 0.189 nan 8.370 nan 0.000 0.488 121 N N 0.420 119.166 118.700 0.077 0.000 2.459 121 N HA 0.326 5.069 4.740 0.005 0.000 0.288 121 N C -2.569 172.549 175.510 -0.654 0.000 1.186 121 N CA -1.438 51.512 53.050 -0.167 0.000 0.917 121 N CB 0.941 39.373 38.487 -0.092 0.000 1.219 121 N HN -0.183 nan 8.380 nan 0.000 0.525 122 P HA 0.003 nan 4.420 nan 0.000 0.269 122 P C 1.165 178.174 177.300 -0.484 0.000 1.217 122 P CA -0.372 62.069 63.100 -1.100 0.000 0.783 122 P CB 0.655 31.976 31.700 -0.632 0.000 0.898 123 L N 2.859 123.905 121.223 -0.296 0.000 2.127 123 L HA -0.190 4.154 4.340 0.005 0.000 0.211 123 L C 2.096 178.856 176.870 -0.182 0.000 1.089 123 L CA 2.630 57.379 54.840 -0.152 0.000 0.757 123 L CB -1.735 40.305 42.059 -0.032 0.000 0.899 123 L HN 0.510 nan 8.230 nan 0.000 0.434 124 T N -4.556 109.882 114.554 -0.193 0.000 2.720 124 T HA -0.196 4.157 4.350 0.005 0.000 0.268 124 T C 1.842 176.397 174.700 -0.241 0.000 1.037 124 T CA 1.701 63.688 62.100 -0.189 0.000 1.144 124 T CB -1.139 67.636 68.868 -0.155 0.000 0.864 124 T HN 0.161 nan 8.240 nan 0.000 0.444 125 V N 1.364 121.126 119.914 -0.252 0.000 2.358 125 V HA -0.009 4.114 4.120 0.005 0.000 0.246 125 V C 2.580 178.478 176.094 -0.327 0.000 1.047 125 V CA 1.421 63.559 62.300 -0.271 0.000 1.035 125 V CB -0.815 30.895 31.823 -0.189 0.000 0.658 125 V HN 0.393 nan 8.190 nan 0.000 0.452 126 L N 0.124 121.173 121.223 -0.291 0.000 2.083 126 L HA -0.078 4.266 4.340 0.005 0.000 0.209 126 L C 2.536 179.230 176.870 -0.293 0.000 1.083 126 L CA 1.852 56.512 54.840 -0.300 0.000 0.752 126 L CB -0.733 41.146 42.059 -0.299 0.000 0.899 126 L HN 0.130 nan 8.230 nan 0.000 0.433 127 R N -0.486 119.863 120.500 -0.251 0.000 2.115 127 R HA -0.148 4.196 4.340 0.005 0.000 0.230 127 R C 2.163 178.234 176.300 -0.382 0.000 1.111 127 R CA 1.417 57.370 56.100 -0.245 0.000 0.976 127 R CB -0.709 29.470 30.300 -0.201 0.000 0.870 127 R HN 0.629 nan 8.270 nan 0.000 0.445 128 Q N 0.845 120.340 119.800 -0.507 0.000 2.079 128 Q HA -0.161 4.183 4.340 0.005 0.000 0.200 128 Q C 1.837 177.152 176.000 -1.142 0.000 0.974 128 Q CA 1.421 56.736 55.803 -0.813 0.000 0.840 128 Q CB 0.128 28.353 28.738 -0.855 0.000 0.898 128 Q HN 0.399 nan 8.270 nan 0.000 0.430 129 Q N 0.053 119.302 119.800 -0.917 0.000 2.119 129 Q HA -0.205 4.138 4.340 0.005 0.000 0.201 129 Q C 1.838 177.394 176.000 -0.741 0.000 0.972 129 Q CA 1.459 56.719 55.803 -0.905 0.000 0.847 129 Q CB 0.006 28.115 28.738 -1.049 0.000 0.903 129 Q HN 0.449 nan 8.270 nan 0.000 0.433 130 E N 1.103 120.980 120.200 -0.538 0.000 2.106 130 E HA -0.189 4.164 4.350 0.005 0.000 0.192 130 E C 1.528 177.945 176.600 -0.305 0.000 0.984 130 E CA 0.992 57.177 56.400 -0.358 0.000 0.806 130 E CB 0.230 29.806 29.700 -0.206 0.000 0.750 130 E HN 0.198 nan 8.360 nan 0.000 0.458 131 K N -0.299 119.890 120.400 -0.353 0.000 2.057 131 K HA -0.128 4.195 4.320 0.005 0.000 0.206 131 K C 1.939 178.461 176.600 -0.130 0.000 1.050 131 K CA 1.309 57.442 56.287 -0.257 0.000 0.935 131 K CB -0.164 32.141 32.500 -0.325 0.000 0.715 131 K HN 0.245 nan 8.250 nan 0.000 0.439 132 W N 1.371 122.542 121.300 -0.215 0.000 2.355 132 W HA 0.065 4.728 4.660 0.005 0.000 0.309 132 W C 0.996 177.413 176.519 -0.171 0.000 1.206 132 W CA 0.114 57.361 57.345 -0.162 0.000 1.284 132 W CB -0.920 28.443 29.460 -0.162 0.000 1.145 132 W HN -0.050 nan 8.180 nan 0.000 0.502 133 A N 1.372 124.141 122.820 -0.083 0.000 2.492 133 A HA 0.065 4.388 4.320 0.005 0.000 0.254 133 A C 1.108 178.492 177.584 -0.333 0.000 1.091 133 A CA 0.103 51.901 52.037 -0.398 0.000 0.768 133 A CB 0.103 18.563 19.000 -0.899 0.000 1.028 133 A HN 0.310 nan 8.150 nan 0.000 0.498 134 K N 1.388 121.703 120.400 -0.142 0.000 2.444 134 K HA 0.138 4.461 4.320 0.005 0.000 0.193 134 K C -0.593 176.095 176.600 0.147 0.000 1.024 134 K CA 0.310 56.630 56.287 0.054 0.000 1.077 134 K CB -0.091 32.516 32.500 0.178 0.000 0.833 134 K HN 0.756 nan 8.250 nan 0.000 0.517 135 F N 0.286 120.338 119.950 0.170 0.000 2.522 135 F HA 0.536 5.066 4.527 0.005 0.000 0.324 135 F C -2.672 173.230 175.800 0.172 0.000 1.077 135 F CA -3.871 54.247 58.000 0.197 0.000 0.944 135 F CB 0.291 39.434 39.000 0.239 0.000 1.175 135 F HN -0.236 nan 8.300 nan 0.000 0.468 136 P HA 0.167 nan 4.420 nan 0.000 0.271 136 P C -1.005 176.440 177.300 0.242 0.000 1.216 136 P CA -0.098 63.117 63.100 0.191 0.000 0.776 136 P CB 1.447 33.255 31.700 0.179 0.000 0.881 137 L N 3.958 125.249 121.223 0.114 0.000 2.262 137 L HA 0.411 4.754 4.340 0.005 0.000 0.288 137 L C 0.381 177.284 176.870 0.054 0.000 1.035 137 L CA -0.617 54.274 54.840 0.085 0.000 0.820 137 L CB 0.472 42.507 42.059 -0.040 0.000 1.204 137 L HN 0.242 nan 8.230 nan 0.000 0.424 138 L N 2.804 124.077 121.223 0.083 0.000 2.325 138 L HA 0.648 4.991 4.340 0.005 0.000 0.278 138 L C 0.104 177.007 176.870 0.056 0.000 1.023 138 L CA -0.338 54.558 54.840 0.094 0.000 0.811 138 L CB 1.921 44.076 42.059 0.160 0.000 1.249 138 L HN 0.560 nan 8.230 nan 0.000 0.431 139 S N 0.449 116.201 115.700 0.086 0.000 2.590 139 S HA 0.495 4.968 4.470 0.005 0.000 0.286 139 S C 0.139 174.793 174.600 0.090 0.000 1.147 139 S CA 0.029 58.287 58.200 0.097 0.000 0.963 139 S CB 1.587 64.832 63.200 0.074 0.000 1.124 139 S HN 0.718 nan 8.310 nan 0.000 0.458 140 A N 3.573 126.451 122.820 0.096 0.000 2.072 140 A HA 0.108 4.431 4.320 0.005 0.000 0.216 140 A C 1.516 179.136 177.584 0.059 0.000 1.156 140 A CA 0.973 53.048 52.037 0.063 0.000 0.701 140 A CB -0.292 18.796 19.000 0.145 0.000 0.816 140 A HN 0.882 nan 8.150 nan 0.000 0.458 141 N N -0.085 118.686 118.700 0.118 0.000 2.230 141 N HA 0.138 4.882 4.740 0.005 0.000 0.202 141 N C -0.184 175.423 175.510 0.161 0.000 1.119 141 N CA -0.092 53.087 53.050 0.216 0.000 0.851 141 N CB 0.058 38.672 38.487 0.212 0.000 0.990 141 N HN 0.401 nan 8.380 nan 0.000 0.497 142 I N 1.583 122.127 120.570 -0.042 0.000 2.304 142 I HA 0.238 4.412 4.170 0.005 0.000 0.291 142 I C -0.762 175.212 176.117 -0.238 0.000 1.018 142 I CA -0.675 60.486 61.300 -0.232 0.000 1.260 142 I CB 0.302 38.192 38.000 -0.184 0.000 1.390 142 I HN -0.127 nan 8.210 nan 0.000 0.475 143 Y N 3.925 124.107 120.300 -0.196 0.000 2.468 143 Y HA 0.328 4.882 4.550 0.006 0.000 0.342 143 Y C 0.273 176.102 175.900 -0.118 0.000 1.021 143 Y CA -0.717 57.309 58.100 -0.123 0.000 1.079 143 Y CB 1.562 39.971 38.460 -0.085 0.000 1.226 143 Y HN 0.462 nan 8.280 nan 0.000 0.460 144 Q N 2.939 122.763 119.800 0.041 0.000 2.295 144 Q HA 0.152 4.495 4.340 0.005 0.000 0.259 144 Q C 0.429 176.466 176.000 0.062 0.000 0.976 144 Q CA -0.176 55.636 55.803 0.016 0.000 0.923 144 Q CB 0.851 29.573 28.738 -0.027 0.000 1.185 144 Q HN 0.754 nan 8.270 nan 0.000 0.410 145 K N 1.275 121.702 120.400 0.045 0.000 2.032 145 K HA -0.172 4.151 4.320 0.005 0.000 0.209 145 K C 1.992 178.606 176.600 0.023 0.000 1.048 145 K CA 1.877 58.185 56.287 0.035 0.000 0.927 145 K CB -0.009 32.510 32.500 0.032 0.000 0.712 145 K HN 0.738 nan 8.250 nan 0.000 0.441 146 S N 0.262 115.974 115.700 0.019 0.000 2.423 146 S HA -0.121 4.352 4.470 0.005 0.000 0.231 146 S C 1.968 176.573 174.600 0.009 0.000 1.014 146 S CA 1.600 59.806 58.200 0.011 0.000 0.965 146 S CB -0.460 62.744 63.200 0.008 0.000 0.785 146 S HN 0.446 nan 8.310 nan 0.000 0.495 147 T N -3.895 110.668 114.554 0.015 0.000 2.985 147 T HA 0.521 4.874 4.350 0.005 0.000 0.254 147 T C 1.544 176.267 174.700 0.037 0.000 1.021 147 T CA 0.571 62.679 62.100 0.014 0.000 0.957 147 T CB -0.074 68.794 68.868 0.000 0.000 1.047 147 T HN 1.167 nan 8.240 nan 0.000 0.511 148 G N 1.480 110.321 108.800 0.068 0.000 2.160 148 G HA2 -0.227 3.736 3.960 0.005 0.000 0.251 148 G HA3 -0.227 3.736 3.960 0.005 0.000 0.251 148 G C -0.333 174.727 174.900 0.267 0.000 1.008 148 G CA 0.279 45.447 45.100 0.114 0.000 0.724 148 G HN 0.684 nan 8.290 nan 0.000 0.514 149 E N -0.303 120.009 120.200 0.186 0.000 2.202 149 E HA 0.526 4.879 4.350 0.005 0.000 0.272 149 E C 0.582 177.096 176.600 -0.144 0.000 0.951 149 E CA -1.045 55.398 56.400 0.072 0.000 0.813 149 E CB 1.249 30.935 29.700 -0.024 0.000 1.151 149 E HN 0.325 nan 8.360 nan 0.000 0.398 150 R N 1.716 121.950 120.500 -0.442 0.000 2.623 150 R HA 0.044 4.387 4.340 0.005 0.000 0.271 150 R C 1.009 177.067 176.300 -0.404 0.000 1.043 150 R CA 0.059 55.751 56.100 -0.680 0.000 1.083 150 R CB 0.448 30.393 30.300 -0.592 0.000 0.974 150 R HN 0.521 nan 8.270 nan 0.000 0.436 151 L N 1.931 122.920 121.223 -0.390 0.000 2.240 151 L HA 0.061 4.404 4.340 0.005 0.000 0.211 151 L C 0.208 176.579 176.870 -0.832 0.000 1.106 151 L CA 1.035 55.544 54.840 -0.553 0.000 0.793 151 L CB 0.079 41.766 42.059 -0.620 0.000 0.927 151 L HN 0.452 nan 8.230 nan 0.000 0.446 152 F N -1.502 118.351 119.950 -0.162 0.000 2.679 152 F HA 0.410 4.940 4.527 0.005 0.000 0.341 152 F C 0.293 175.985 175.800 -0.180 0.000 1.095 152 F CA -1.235 56.686 58.000 -0.131 0.000 1.004 152 F CB 0.576 39.536 39.000 -0.066 0.000 1.388 152 F HN -0.408 nan 8.300 nan 0.000 0.505 153 K N 2.630 123.053 120.400 0.038 0.000 2.298 153 K HA 0.192 4.515 4.320 0.005 0.000 0.280 153 K C -1.860 174.668 176.600 -0.120 0.000 1.032 153 K CA -1.683 54.522 56.287 -0.137 0.000 0.958 153 K CB 0.905 33.320 32.500 -0.142 0.000 0.978 153 K HN 0.215 nan 8.250 nan 0.000 0.472 154 P HA -0.074 nan 4.420 nan 0.000 0.225 154 P C -0.383 176.990 177.300 0.122 0.000 1.156 154 P CA 1.011 64.051 63.100 -0.100 0.000 0.787 154 P CB 0.222 31.810 31.700 -0.187 0.000 0.802 155 W N -1.261 120.067 121.300 0.046 0.000 3.005 155 W HA 0.724 5.387 4.660 0.005 0.000 0.343 155 W C -2.240 174.287 176.519 0.014 0.000 1.243 155 W CA -1.500 55.873 57.345 0.048 0.000 1.186 155 W CB 0.388 29.869 29.460 0.034 0.000 1.453 155 W HN -0.056 nan 8.180 nan 0.000 0.575 156 A N 1.728 124.784 122.820 0.393 0.000 2.414 156 A HA 0.860 5.183 4.320 0.005 0.000 0.306 156 A C -1.803 175.739 177.584 -0.069 0.000 1.054 156 A CA -1.004 51.087 52.037 0.089 0.000 0.724 156 A CB 1.269 20.248 19.000 -0.034 0.000 1.267 156 A HN 0.772 nan 8.150 nan 0.000 0.418 157 L N 1.269 122.325 121.223 -0.277 0.000 2.325 157 L HA 0.686 5.029 4.340 0.005 0.000 0.278 157 L C -1.320 175.185 176.870 -0.610 0.000 1.023 157 L CA -0.365 54.313 54.840 -0.270 0.000 0.811 157 L CB 1.536 43.541 42.059 -0.089 0.000 1.249 157 L HN 0.686 nan 8.230 nan 0.000 0.431 158 F N 0.913 120.874 119.950 0.019 0.000 2.540 158 F HA 0.463 4.993 4.527 0.005 0.000 0.317 158 F C -0.113 175.672 175.800 -0.025 0.000 1.104 158 F CA -0.886 57.120 58.000 0.009 0.000 0.913 158 F CB 1.847 40.850 39.000 0.006 0.000 1.170 158 F HN 0.223 nan 8.300 nan 0.000 0.450 159 K N 3.568 124.054 120.400 0.143 0.000 2.211 159 K HA 0.613 4.936 4.320 0.005 0.000 0.275 159 K C -0.588 176.054 176.600 0.070 0.000 1.024 159 K CA -0.937 55.389 56.287 0.065 0.000 0.887 159 K CB 1.253 33.780 32.500 0.045 0.000 1.084 159 K HN 0.369 nan 8.250 nan 0.000 0.463 160 R N 3.474 123.983 120.500 0.016 0.000 2.500 160 R HA 0.192 4.535 4.340 0.005 0.000 0.299 160 R C -0.189 176.112 176.300 0.002 0.000 1.038 160 R CA -0.395 55.712 56.100 0.012 0.000 0.903 160 R CB 1.177 31.468 30.300 -0.015 0.000 1.177 160 R HN 0.888 nan 8.270 nan 0.000 0.455 161 Q N 0.476 120.313 119.800 0.063 0.000 1.437 161 Q HA -0.279 4.064 4.340 0.005 0.000 0.341 161 Q C -0.264 175.788 176.000 0.088 0.000 0.937 161 Q CA 2.058 57.937 55.803 0.126 0.000 0.776 161 Q CB -0.790 28.107 28.738 0.265 0.000 3.953 161 Q HN 0.735 nan 8.270 nan 0.000 0.583 162 D N 0.539 121.007 120.400 0.113 0.000 2.559 162 D HA 0.325 4.968 4.640 0.005 0.000 0.234 162 D C -0.145 176.132 176.300 -0.039 0.000 1.226 162 D CA 0.033 54.072 54.000 0.065 0.000 0.830 162 D CB -0.152 40.732 40.800 0.139 0.000 1.028 162 D HN 0.216 nan 8.370 nan 0.000 0.492 163 L N 0.096 121.211 121.223 -0.180 0.000 2.357 163 L HA 0.388 4.731 4.340 0.005 0.000 0.273 163 L C 0.478 177.241 176.870 -0.179 0.000 1.080 163 L CA -0.907 53.748 54.840 -0.308 0.000 0.803 163 L CB 1.610 43.308 42.059 -0.601 0.000 1.174 163 L HN -0.100 nan 8.230 nan 0.000 0.443 164 K N 3.629 123.926 120.400 -0.172 0.000 2.316 164 K HA 0.539 4.863 4.320 0.005 0.000 0.267 164 K C -1.189 175.330 176.600 -0.135 0.000 1.025 164 K CA -0.400 55.822 56.287 -0.109 0.000 0.896 164 K CB 0.815 33.262 32.500 -0.087 0.000 1.124 164 K HN 0.498 nan 8.250 nan 0.000 0.451 165 I N 3.658 124.190 120.570 -0.063 0.000 2.362 165 I HA 0.338 4.511 4.170 0.005 0.000 0.289 165 I C -0.197 175.951 176.117 0.051 0.000 0.994 165 I CA -0.851 60.425 61.300 -0.042 0.000 1.158 165 I CB 1.883 39.874 38.000 -0.015 0.000 1.315 165 I HN 0.633 nan 8.210 nan 0.000 0.451 166 A N 6.584 129.390 122.820 -0.023 0.000 2.305 166 A HA 0.753 5.076 4.320 0.005 0.000 0.322 166 A C -0.607 177.029 177.584 0.086 0.000 1.187 166 A CA -0.460 51.564 52.037 -0.023 0.000 0.825 166 A CB 1.111 19.977 19.000 -0.222 0.000 1.164 166 A HN 0.468 nan 8.150 nan 0.000 0.498 167 V N 4.731 124.777 119.914 0.220 0.000 2.378 167 V HA 0.365 4.488 4.120 0.005 0.000 0.288 167 V C 0.084 176.341 176.094 0.271 0.000 1.016 167 V CA -0.309 62.136 62.300 0.241 0.000 0.840 167 V CB 0.982 33.014 31.823 0.348 0.000 0.994 167 V HN 0.828 nan 8.190 nan 0.000 0.431 168 I N 1.969 122.668 120.570 0.216 0.000 2.664 168 I HA 0.977 5.150 4.170 0.005 0.000 0.308 168 I C 0.440 176.685 176.117 0.212 0.000 0.984 168 I CA -0.310 61.147 61.300 0.262 0.000 1.213 168 I CB 1.784 39.919 38.000 0.225 0.000 1.379 168 I HN 0.611 nan 8.210 nan 0.000 0.501 169 G N 5.242 114.165 108.800 0.205 0.000 2.448 169 G HA2 0.721 4.684 3.960 0.005 0.000 0.324 169 G HA3 0.721 4.684 3.960 0.005 0.000 0.324 169 G C -1.226 173.768 174.900 0.157 0.000 1.203 169 G CA -0.788 44.414 45.100 0.171 0.000 0.954 169 G HN 0.633 nan 8.290 nan 0.000 0.480 170 L N 0.639 121.954 121.223 0.155 0.000 2.445 170 L HA 0.592 4.935 4.340 0.005 0.000 0.262 170 L C -0.462 176.515 176.870 0.178 0.000 0.974 170 L CA -0.775 54.158 54.840 0.156 0.000 0.822 170 L CB 2.989 45.130 42.059 0.137 0.000 1.339 170 L HN 0.466 nan 8.230 nan 0.000 0.409 171 T N -0.167 114.507 114.554 0.200 0.000 2.861 171 T HA 0.229 4.582 4.350 0.005 0.000 0.287 171 T C -0.181 174.631 174.700 0.186 0.000 1.003 171 T CA -0.422 61.819 62.100 0.235 0.000 0.977 171 T CB 1.883 70.948 68.868 0.328 0.000 0.996 171 T HN 0.600 nan 8.240 nan 0.000 0.448 172 T N 2.245 116.846 114.554 0.079 0.000 2.923 172 T HA -0.036 4.317 4.350 0.005 0.000 0.304 172 T C 1.050 175.706 174.700 -0.074 0.000 1.044 172 T CA -0.077 62.004 62.100 -0.032 0.000 1.141 172 T CB 0.033 68.781 68.868 -0.199 0.000 1.023 172 T HN 0.680 nan 8.240 nan 0.000 0.533 173 D N 2.823 123.204 120.400 -0.031 0.000 2.336 173 D HA 0.015 4.658 4.640 0.005 0.000 0.229 173 D C 0.795 176.986 176.300 -0.182 0.000 1.061 173 D CA 0.044 54.018 54.000 -0.043 0.000 0.875 173 D CB 0.088 40.923 40.800 0.058 0.000 0.904 173 D HN 0.513 nan 8.370 nan 0.000 0.525 174 D N 0.256 120.532 120.400 -0.205 0.000 2.348 174 D HA -0.039 4.604 4.640 0.005 0.000 0.211 174 D C 1.545 177.634 176.300 -0.352 0.000 0.998 174 D CA 0.451 54.336 54.000 -0.190 0.000 0.873 174 D CB 0.130 40.887 40.800 -0.071 0.000 0.925 174 D HN 0.124 nan 8.370 nan 0.000 0.524 175 T N 0.629 114.811 114.554 -0.619 0.000 2.620 175 T HA -0.230 4.123 4.350 0.005 0.000 0.267 175 T C 1.834 176.034 174.700 -0.833 0.000 1.044 175 T CA 1.888 63.509 62.100 -0.797 0.000 1.161 175 T CB -0.134 67.890 68.868 -1.407 0.000 0.862 175 T HN 0.236 nan 8.240 nan 0.000 0.438 176 A N 0.394 122.477 122.820 -1.229 0.000 2.218 176 A HA 0.133 4.457 4.320 0.005 0.000 0.209 176 A C 2.049 179.343 177.584 -0.482 0.000 1.168 176 A CA 0.607 51.867 52.037 -1.294 0.000 0.804 176 A CB -0.129 18.069 19.000 -1.337 0.000 0.834 176 A HN 0.469 nan 8.150 nan 0.000 0.482 177 K N -0.444 119.767 120.400 -0.316 0.000 2.284 177 K HA 0.187 4.511 4.320 0.005 0.000 0.198 177 K C -0.039 176.551 176.600 -0.017 0.000 1.048 177 K CA 0.034 56.246 56.287 -0.126 0.000 0.987 177 K CB 0.197 32.637 32.500 -0.100 0.000 0.800 177 K HN 0.288 nan 8.250 nan 0.000 0.486 178 I N 1.553 122.127 120.570 0.007 0.000 2.634 178 I HA 0.035 4.208 4.170 0.005 0.000 0.284 178 I C 1.585 177.826 176.117 0.207 0.000 1.124 178 I CA 0.838 62.232 61.300 0.155 0.000 1.417 178 I CB -0.418 37.659 38.000 0.129 0.000 1.396 178 I HN 0.475 nan 8.210 nan 0.000 0.571 179 G N 6.264 115.233 108.800 0.282 0.000 2.611 179 G HA2 -0.352 3.611 3.960 0.005 0.000 0.301 179 G HA3 -0.352 3.611 3.960 0.005 0.000 0.301 179 G C 0.232 175.152 174.900 0.032 0.000 1.233 179 G CA 0.433 45.615 45.100 0.135 0.000 0.993 179 G HN 0.837 nan 8.290 nan 0.000 0.553 180 N N 2.274 121.025 118.700 0.085 0.000 2.707 180 N HA 0.455 5.198 4.740 0.005 0.000 0.235 180 N C -2.339 173.238 175.510 0.113 0.000 1.028 180 N CA -1.274 51.808 53.050 0.054 0.000 0.906 180 N CB 1.256 39.754 38.487 0.019 0.000 1.131 180 N HN 0.487 nan 8.380 nan 0.000 0.509 181 P HA 0.074 nan 4.420 nan 0.000 0.268 181 P C -0.484 176.899 177.300 0.138 0.000 1.205 181 P CA 0.271 63.548 63.100 0.295 0.000 0.771 181 P CB 1.646 33.561 31.700 0.359 0.000 0.858 182 E N 1.019 121.217 120.200 -0.003 0.000 2.414 182 E HA 0.047 4.400 4.350 0.005 0.000 0.208 182 E C -0.243 176.044 176.600 -0.522 0.000 0.820 182 E CA 0.426 56.624 56.400 -0.336 0.000 1.143 182 E CB 0.251 29.564 29.700 -0.646 0.000 1.150 182 E HN 0.473 nan 8.360 nan 0.000 0.540 183 Y N -0.325 119.779 120.300 -0.326 0.000 2.480 183 Y HA 0.298 4.851 4.550 0.006 0.000 0.356 183 Y C -0.499 175.092 175.900 -0.515 0.000 0.922 183 Y CA -0.574 57.316 58.100 -0.349 0.000 1.146 183 Y CB 0.068 38.368 38.460 -0.266 0.000 1.185 183 Y HN -0.036 nan 8.280 nan 0.000 0.624 184 F N -0.788 119.310 119.950 0.246 0.000 2.908 184 F HA 0.244 4.774 4.527 0.005 0.000 0.328 184 F C 0.658 176.544 175.800 0.142 0.000 1.211 184 F CA -0.868 57.255 58.000 0.205 0.000 1.291 184 F CB 0.148 39.255 39.000 0.177 0.000 0.962 184 F HN -0.081 nan 8.300 nan 0.000 0.505 185 T N 0.964 115.650 114.554 0.221 0.000 2.831 185 T HA -0.038 4.315 4.350 0.005 0.000 0.291 185 T C 0.614 175.393 174.700 0.132 0.000 0.981 185 T CA 0.516 62.707 62.100 0.152 0.000 1.174 185 T CB 0.075 69.010 68.868 0.112 0.000 0.929 185 T HN 0.415 nan 8.240 nan 0.000 0.532 186 D N 1.243 121.707 120.400 0.106 0.000 2.911 186 D HA -0.172 4.471 4.640 0.005 0.000 0.227 186 D C -0.492 175.852 176.300 0.074 0.000 1.164 186 D CA 0.800 54.844 54.000 0.073 0.000 0.782 186 D CB -1.289 39.538 40.800 0.046 0.000 1.094 186 D HN 0.644 nan 8.370 nan 0.000 0.425 187 I N 0.477 121.115 120.570 0.113 0.000 2.608 187 I HA 0.407 4.580 4.170 0.005 0.000 0.295 187 I C 0.184 176.327 176.117 0.043 0.000 1.049 187 I CA -0.817 60.524 61.300 0.068 0.000 1.063 187 I CB 2.014 40.092 38.000 0.131 0.000 1.248 187 I HN 0.043 nan 8.210 nan 0.000 0.424 188 E N 4.639 124.800 120.200 -0.064 0.000 2.367 188 E HA 0.535 4.888 4.350 0.005 0.000 0.273 188 E C -1.843 174.634 176.600 -0.206 0.000 0.903 188 E CA -0.751 55.633 56.400 -0.028 0.000 0.764 188 E CB 2.244 31.957 29.700 0.022 0.000 1.252 188 E HN 0.255 nan 8.360 nan 0.000 0.446 189 F N 1.426 121.349 119.950 -0.045 0.000 2.361 189 F HA 0.433 4.963 4.527 0.005 0.000 0.364 189 F C 0.629 176.430 175.800 0.003 0.000 1.117 189 F CA -0.697 57.290 58.000 -0.022 0.000 1.071 189 F CB 1.378 40.309 39.000 -0.114 0.000 1.188 189 F HN 0.206 nan 8.300 nan 0.000 0.464 190 R N 1.790 122.382 120.500 0.153 0.000 2.543 190 R HA 0.351 4.694 4.340 0.005 0.000 0.268 190 R C -0.108 176.252 176.300 0.100 0.000 1.067 190 R CA -1.096 55.055 56.100 0.084 0.000 1.142 190 R CB 0.864 31.173 30.300 0.016 0.000 1.110 190 R HN 0.495 nan 8.270 nan 0.000 0.549 191 K N 2.199 122.631 120.400 0.053 0.000 2.453 191 K HA -0.030 4.293 4.320 0.005 0.000 0.280 191 K C -1.786 174.855 176.600 0.068 0.000 1.045 191 K CA -0.800 55.515 56.287 0.046 0.000 1.059 191 K CB 0.338 32.848 32.500 0.017 0.000 0.901 191 K HN 0.295 nan 8.250 nan 0.000 0.475 192 P HA -0.259 nan 4.420 nan 0.000 0.214 192 P C 1.015 178.360 177.300 0.074 0.000 1.163 192 P CA 1.426 64.580 63.100 0.090 0.000 0.883 192 P CB 0.198 31.946 31.700 0.081 0.000 0.788 193 A N -0.203 122.646 122.820 0.047 0.000 1.902 193 A HA -0.232 4.092 4.320 0.005 0.000 0.217 193 A C 1.971 179.581 177.584 0.043 0.000 1.181 193 A CA 2.241 54.302 52.037 0.039 0.000 0.623 193 A CB -1.524 17.487 19.000 0.019 0.000 0.818 193 A HN 0.103 nan 8.150 nan 0.000 0.443 194 D N -0.747 119.677 120.400 0.039 0.000 2.117 194 D HA -0.115 4.528 4.640 0.005 0.000 0.197 194 D C 1.895 178.230 176.300 0.059 0.000 0.987 194 D CA 1.589 55.612 54.000 0.038 0.000 0.829 194 D CB -0.330 40.485 40.800 0.024 0.000 0.961 194 D HN 0.563 nan 8.370 nan 0.000 0.460 195 E N 0.632 120.881 120.200 0.082 0.000 2.106 195 E HA -0.063 4.290 4.350 0.005 0.000 0.192 195 E C 1.899 178.571 176.600 0.120 0.000 0.984 195 E CA 1.143 57.615 56.400 0.120 0.000 0.806 195 E CB -0.240 29.557 29.700 0.162 0.000 0.750 195 E HN 0.176 nan 8.360 nan 0.000 0.458 196 A N 0.882 123.763 122.820 0.101 0.000 1.902 196 A HA -0.246 4.077 4.320 0.005 0.000 0.217 196 A C 1.996 179.627 177.584 0.078 0.000 1.181 196 A CA 1.868 53.962 52.037 0.095 0.000 0.623 196 A CB -0.441 18.605 19.000 0.076 0.000 0.818 196 A HN 0.198 nan 8.150 nan 0.000 0.443 197 K N -0.295 120.143 120.400 0.063 0.000 2.032 197 K HA -0.110 4.213 4.320 0.005 0.000 0.209 197 K C 1.884 178.519 176.600 0.059 0.000 1.048 197 K CA 1.582 57.898 56.287 0.049 0.000 0.927 197 K CB -0.483 32.040 32.500 0.038 0.000 0.712 197 K HN 0.492 nan 8.250 nan 0.000 0.441 198 L N 0.601 121.870 121.223 0.077 0.000 2.017 198 L HA -0.190 4.153 4.340 0.005 0.000 0.208 198 L C 2.444 179.388 176.870 0.124 0.000 1.073 198 L CA 0.958 55.854 54.840 0.093 0.000 0.745 198 L CB -0.630 41.493 42.059 0.107 0.000 0.894 198 L HN -0.006 nan 8.230 nan 0.000 0.432 199 V N 0.243 120.251 119.914 0.157 0.000 2.343 199 V HA -0.281 3.842 4.120 0.005 0.000 0.247 199 V C 2.362 178.513 176.094 0.094 0.000 1.051 199 V CA 1.799 64.233 62.300 0.223 0.000 1.036 199 V CB -0.291 31.701 31.823 0.283 0.000 0.654 199 V HN 0.307 nan 8.190 nan 0.000 0.451 200 I N -0.315 120.283 120.570 0.047 0.000 2.208 200 I HA -0.327 3.846 4.170 0.005 0.000 0.245 200 I C 2.656 178.754 176.117 -0.033 0.000 1.097 200 I CA 1.944 63.233 61.300 -0.018 0.000 1.363 200 I CB -0.386 37.615 38.000 0.001 0.000 1.051 200 I HN 0.402 nan 8.210 nan 0.000 0.413 201 Q N 1.040 120.845 119.800 0.008 0.000 2.079 201 Q HA -0.244 4.099 4.340 0.005 0.000 0.200 201 Q C 2.046 178.050 176.000 0.007 0.000 0.974 201 Q CA 1.668 57.476 55.803 0.008 0.000 0.840 201 Q CB 0.037 28.791 28.738 0.027 0.000 0.898 201 Q HN 0.513 nan 8.270 nan 0.000 0.430 202 E N 0.366 120.594 120.200 0.047 0.000 2.070 202 E HA -0.225 4.128 4.350 0.005 0.000 0.197 202 E C 2.152 178.727 176.600 -0.041 0.000 1.004 202 E CA 1.481 57.933 56.400 0.087 0.000 0.805 202 E CB -0.157 29.706 29.700 0.272 0.000 0.744 202 E HN 0.363 nan 8.360 nan 0.000 0.451 203 L N 0.840 121.916 121.223 -0.244 0.000 2.017 203 L HA -0.246 4.098 4.340 0.005 0.000 0.208 203 L C 2.673 179.410 176.870 -0.222 0.000 1.073 203 L CA 0.999 55.573 54.840 -0.444 0.000 0.745 203 L CB -0.353 41.331 42.059 -0.624 0.000 0.894 203 L HN 0.154 nan 8.230 nan 0.000 0.432 204 Q N -0.095 119.623 119.800 -0.138 0.000 2.124 204 Q HA -0.235 4.108 4.340 0.005 0.000 0.202 204 Q C 2.059 178.028 176.000 -0.052 0.000 0.977 204 Q CA 1.510 57.265 55.803 -0.080 0.000 0.850 204 Q CB -0.280 28.430 28.738 -0.046 0.000 0.901 204 Q HN 0.632 nan 8.270 nan 0.000 0.429 205 Q N -0.473 119.305 119.800 -0.036 0.000 2.451 205 Q HA -0.019 4.324 4.340 0.005 0.000 0.206 205 Q C 1.392 177.389 176.000 -0.004 0.000 0.947 205 Q CA 1.329 57.126 55.803 -0.011 0.000 0.937 205 Q CB 0.442 29.184 28.738 0.008 0.000 1.025 205 Q HN 0.510 nan 8.270 nan 0.000 0.511 206 T N -3.947 110.596 114.554 -0.019 0.000 3.057 206 T HA 0.148 4.501 4.350 0.005 0.000 0.254 206 T C 1.472 176.161 174.700 -0.019 0.000 0.965 206 T CA -0.203 61.900 62.100 0.005 0.000 0.978 206 T CB 0.293 69.198 68.868 0.062 0.000 1.169 206 T HN -0.065 nan 8.240 nan 0.000 0.489 207 E N 1.081 121.235 120.200 -0.077 0.000 2.421 207 E HA 0.200 4.553 4.350 0.005 0.000 0.209 207 E C 0.119 176.664 176.600 -0.093 0.000 0.871 207 E CA 0.005 56.349 56.400 -0.093 0.000 1.064 207 E CB 0.352 29.945 29.700 -0.177 0.000 1.075 207 E HN 0.524 nan 8.360 nan 0.000 0.513 208 K N 2.082 122.423 120.400 -0.099 0.000 3.689 208 K HA -0.120 4.203 4.320 0.005 0.000 0.276 208 K C -2.536 174.020 176.600 -0.074 0.000 0.932 208 K CA 0.045 56.291 56.287 -0.070 0.000 0.758 208 K CB -0.637 31.840 32.500 -0.038 0.000 1.500 208 K HN 0.066 nan 8.250 nan 0.000 0.448 209 P HA 0.012 nan 4.420 nan 0.000 0.271 209 P C -0.024 177.229 177.300 -0.078 0.000 1.218 209 P CA -0.068 62.960 63.100 -0.120 0.000 0.780 209 P CB 0.708 32.302 31.700 -0.177 0.000 0.901 210 D N 1.251 121.587 120.400 -0.107 0.000 2.183 210 D HA 0.031 4.674 4.640 0.005 0.000 0.203 210 D C 0.818 177.024 176.300 -0.157 0.000 0.969 210 D CA 1.451 55.385 54.000 -0.111 0.000 0.842 210 D CB 0.309 40.885 40.800 -0.374 0.000 0.957 210 D HN 0.403 nan 8.370 nan 0.000 0.484 211 I N 0.556 120.999 120.570 -0.212 0.000 2.722 211 I HA 0.321 4.494 4.170 0.005 0.000 0.295 211 I C -0.836 175.205 176.117 -0.126 0.000 1.161 211 I CA -0.637 60.560 61.300 -0.172 0.000 1.032 211 I CB 2.995 40.826 38.000 -0.282 0.000 1.244 211 I HN -0.322 nan 8.210 nan 0.000 0.421 212 I N 6.316 126.833 120.570 -0.089 0.000 2.466 212 I HA 0.516 4.689 4.170 0.005 0.000 0.289 212 I C -0.819 175.270 176.117 -0.047 0.000 1.026 212 I CA -0.461 60.798 61.300 -0.067 0.000 1.078 212 I CB 2.178 40.141 38.000 -0.063 0.000 1.249 212 I HN 0.335 nan 8.210 nan 0.000 0.429 213 I N 4.750 125.307 120.570 -0.021 0.000 2.569 213 I HA 0.643 4.816 4.170 0.005 0.000 0.296 213 I C -0.151 175.994 176.117 0.046 0.000 1.028 213 I CA -0.654 60.643 61.300 -0.005 0.000 1.082 213 I CB 2.237 40.221 38.000 -0.027 0.000 1.264 213 I HN 0.598 nan 8.210 nan 0.000 0.429 214 A N 4.521 127.374 122.820 0.055 0.000 2.303 214 A HA 0.846 5.169 4.320 0.005 0.000 0.320 214 A C -0.380 177.257 177.584 0.087 0.000 1.192 214 A CA -0.544 51.544 52.037 0.084 0.000 0.821 214 A CB 1.092 20.140 19.000 0.078 0.000 1.188 214 A HN 0.763 nan 8.150 nan 0.000 0.492 215 A N 2.711 125.601 122.820 0.117 0.000 2.252 215 A HA 0.709 5.032 4.320 0.005 0.000 0.309 215 A C 0.431 178.097 177.584 0.138 0.000 1.285 215 A CA 0.210 52.322 52.037 0.126 0.000 0.900 215 A CB -0.045 19.047 19.000 0.154 0.000 1.157 215 A HN 1.541 nan 8.150 nan 0.000 0.536 216 T N -0.522 114.108 114.554 0.128 0.000 2.916 216 T HA 0.568 4.921 4.350 0.005 0.000 0.292 216 T C -0.736 174.059 174.700 0.158 0.000 1.055 216 T CA -0.477 61.705 62.100 0.137 0.000 1.009 216 T CB 1.442 70.368 68.868 0.096 0.000 1.118 216 T HN 0.623 nan 8.240 nan 0.000 0.497 217 H N 1.365 120.491 119.070 0.093 0.000 2.348 217 H HA 0.580 5.139 4.556 0.005 0.000 0.232 217 H C 0.215 175.568 175.328 0.042 0.000 1.419 217 H CA -0.548 55.556 56.048 0.093 0.000 1.416 217 H CB -0.038 29.774 29.762 0.082 0.000 1.510 217 H HN 0.672 nan 8.280 nan 0.000 0.507 218 M N 0.636 120.206 119.600 -0.050 0.000 2.279 218 M HA 0.328 4.811 4.480 0.005 0.000 0.278 218 M C 0.453 176.806 176.300 0.089 0.000 1.142 218 M CA 0.603 55.915 55.300 0.020 0.000 1.119 218 M CB 1.474 34.105 32.600 0.053 0.000 1.741 218 M HN 0.551 nan 8.290 nan 0.000 0.601 219 G N 1.129 109.913 108.800 -0.027 0.000 2.907 219 G HA2 -0.147 3.816 3.960 0.005 0.000 0.686 219 G HA3 -0.147 3.816 3.960 0.005 0.000 0.686 219 G C -1.346 173.309 174.900 -0.409 0.000 1.115 219 G CA -0.873 44.082 45.100 -0.242 0.000 0.760 219 G HN 0.475 nan 8.290 nan 0.000 0.620 220 H N 1.814 120.555 119.070 -0.548 0.000 2.504 220 H HA 0.636 5.195 4.556 0.005 0.000 0.322 220 H C -1.015 173.979 175.328 -0.557 0.000 1.055 220 H CA -0.338 55.474 56.048 -0.392 0.000 1.231 220 H CB 0.799 30.428 29.762 -0.222 0.000 1.417 220 H HN 0.442 nan 8.280 nan 0.000 0.472 221 Y N 2.574 122.650 120.300 -0.373 0.000 2.376 221 Y HA 0.120 4.674 4.550 0.006 0.000 0.340 221 Y C 0.237 175.996 175.900 -0.235 0.000 0.965 221 Y CA -1.134 56.876 58.100 -0.150 0.000 1.078 221 Y CB 1.051 39.480 38.460 -0.052 0.000 1.193 221 Y HN 0.568 nan 8.280 nan 0.000 0.452 222 D N 2.705 123.169 120.400 0.108 0.000 2.586 222 D HA -0.094 4.550 4.640 0.005 0.000 0.234 222 D C 0.824 177.144 176.300 0.033 0.000 1.132 222 D CA 1.153 55.211 54.000 0.096 0.000 0.860 222 D CB 0.123 40.980 40.800 0.095 0.000 1.159 222 D HN 0.690 nan 8.370 nan 0.000 0.490 223 N N 1.812 120.518 118.700 0.010 0.000 2.693 223 N HA -0.252 4.492 4.740 0.005 0.000 0.249 223 N C 0.799 176.303 175.510 -0.010 0.000 1.119 223 N CA 1.857 54.905 53.050 -0.004 0.000 0.717 223 N CB -1.000 37.487 38.487 -0.000 0.000 1.071 223 N HN 0.765 nan 8.380 nan 0.000 0.555 224 G N -0.953 107.843 108.800 -0.007 0.000 2.160 224 G HA2 -0.331 3.632 3.960 0.005 0.000 0.251 224 G HA3 -0.331 3.632 3.960 0.005 0.000 0.251 224 G C -0.186 174.727 174.900 0.022 0.000 1.008 224 G CA 0.443 45.577 45.100 0.056 0.000 0.724 224 G HN 0.664 nan 8.290 nan 0.000 0.514 225 E N 0.396 120.583 120.200 -0.020 0.000 1.972 225 E HA 0.293 4.646 4.350 0.005 0.000 0.292 225 E C 1.344 177.784 176.600 -0.267 0.000 1.193 225 E CA 0.083 56.389 56.400 -0.156 0.000 1.228 225 E CB -0.220 29.431 29.700 -0.081 0.000 1.167 225 E HN 0.873 nan 8.360 nan 0.000 0.479 226 H N 0.488 119.352 119.070 -0.343 0.000 2.547 226 H HA 0.150 4.709 4.556 0.005 0.000 0.272 226 H C 1.343 176.350 175.328 -0.535 0.000 0.989 226 H CA 0.254 55.782 56.048 -0.867 0.000 1.214 226 H CB 0.045 29.383 29.762 -0.706 0.000 1.389 226 H HN 0.434 nan 8.280 nan 0.000 0.577 227 G N 0.727 109.220 108.800 -0.512 0.000 2.611 227 G HA2 -0.464 3.500 3.960 0.005 0.000 0.301 227 G HA3 -0.464 3.500 3.960 0.005 0.000 0.301 227 G C 1.587 176.430 174.900 -0.095 0.000 1.233 227 G CA 1.799 46.746 45.100 -0.256 0.000 0.993 227 G HN 0.928 nan 8.290 nan 0.000 0.553 228 S N 0.599 116.274 115.700 -0.041 0.000 2.522 228 S HA 0.090 4.563 4.470 0.005 0.000 0.227 228 S C 0.858 175.474 174.600 0.025 0.000 0.986 228 S CA 1.099 59.307 58.200 0.013 0.000 0.929 228 S CB -0.232 62.982 63.200 0.022 0.000 0.769 228 S HN 0.740 nan 8.310 nan 0.000 0.529 229 N N 1.757 120.450 118.700 -0.011 0.000 2.424 229 N HA 0.552 5.296 4.740 0.005 0.000 0.257 229 N C -0.134 175.364 175.510 -0.020 0.000 1.250 229 N CA 0.105 53.147 53.050 -0.013 0.000 0.946 229 N CB 0.312 38.752 38.487 -0.078 0.000 1.175 229 N HN 0.364 nan 8.380 nan 0.000 0.477 230 A N 1.332 124.135 122.820 -0.029 0.000 2.445 230 A HA 0.232 4.555 4.320 0.005 0.000 0.242 230 A C -2.083 175.340 177.584 -0.270 0.000 1.075 230 A CA -0.896 51.071 52.037 -0.117 0.000 0.777 230 A CB -0.316 18.650 19.000 -0.057 0.000 1.013 230 A HN 0.463 nan 8.150 nan 0.000 0.493 231 P HA 0.136 nan 4.420 nan 0.000 0.264 231 P C 0.607 177.834 177.300 -0.122 0.000 1.179 231 P CA 1.056 63.756 63.100 -0.667 0.000 0.763 231 P CB 0.693 32.126 31.700 -0.446 0.000 0.806 232 G N 1.658 110.509 108.800 0.084 0.000 3.008 232 G HA2 0.115 4.078 3.960 0.005 0.000 0.181 232 G HA3 0.115 4.078 3.960 0.005 0.000 0.181 232 G C 0.446 175.390 174.900 0.075 0.000 1.309 232 G CA -0.297 44.905 45.100 0.170 0.000 1.009 232 G HN 0.288 nan 8.290 nan 0.000 0.584 233 D N -0.644 119.778 120.400 0.037 0.000 2.123 233 D HA -0.131 4.512 4.640 0.005 0.000 0.196 233 D C 2.729 179.030 176.300 0.002 0.000 0.992 233 D CA 1.022 55.033 54.000 0.018 0.000 0.833 233 D CB -0.306 40.507 40.800 0.022 0.000 0.954 233 D HN 0.046 nan 8.370 nan 0.000 0.455 234 V N 1.061 120.949 119.914 -0.044 0.000 2.295 234 V HA -0.215 3.908 4.120 0.005 0.000 0.246 234 V C 2.484 178.577 176.094 -0.001 0.000 1.049 234 V CA 1.768 64.039 62.300 -0.049 0.000 1.024 234 V CB -0.462 31.283 31.823 -0.129 0.000 0.648 234 V HN 0.202 nan 8.190 nan 0.000 0.447 235 E N -0.389 119.832 120.200 0.035 0.000 2.106 235 E HA -0.259 4.094 4.350 0.005 0.000 0.192 235 E C 2.226 178.839 176.600 0.021 0.000 0.984 235 E CA 1.551 57.977 56.400 0.043 0.000 0.806 235 E CB -0.114 29.633 29.700 0.079 0.000 0.750 235 E HN 0.592 nan 8.360 nan 0.000 0.458 236 M N 0.190 119.801 119.600 0.018 0.000 2.086 236 M HA -0.148 4.335 4.480 0.005 0.000 0.261 236 M C 2.235 178.543 176.300 0.013 0.000 1.067 236 M CA 1.814 57.125 55.300 0.017 0.000 1.116 236 M CB -0.094 32.522 32.600 0.026 0.000 1.348 236 M HN 0.180 nan 8.290 nan 0.000 0.407 237 A N 0.833 123.658 122.820 0.008 0.000 1.908 237 A HA -0.211 4.112 4.320 0.005 0.000 0.218 237 A C 2.075 179.652 177.584 -0.011 0.000 1.181 237 A CA 1.983 54.019 52.037 -0.003 0.000 0.627 237 A CB -0.753 18.240 19.000 -0.012 0.000 0.818 237 A HN 0.629 nan 8.150 nan 0.000 0.445 238 R N -0.669 119.825 120.500 -0.009 0.000 2.120 238 R HA -0.025 4.318 4.340 0.005 0.000 0.234 238 R C 2.270 178.567 176.300 -0.004 0.000 1.123 238 R CA 1.073 57.166 56.100 -0.011 0.000 0.975 238 R CB -0.363 29.933 30.300 -0.006 0.000 0.866 238 R HN 0.516 nan 8.270 nan 0.000 0.446 239 A N 0.885 123.707 122.820 0.003 0.000 2.067 239 A HA 0.091 4.415 4.320 0.005 0.000 0.217 239 A C 1.056 178.644 177.584 0.006 0.000 1.156 239 A CA 0.362 52.402 52.037 0.006 0.000 0.683 239 A CB -0.026 18.980 19.000 0.010 0.000 0.808 239 A HN 0.064 nan 8.150 nan 0.000 0.455 240 L N -0.213 121.014 121.223 0.005 0.000 2.456 240 L HA 0.295 4.638 4.340 0.005 0.000 0.257 240 L C -2.345 174.525 176.870 -0.000 0.000 1.162 240 L CA -2.250 52.594 54.840 0.007 0.000 0.808 240 L CB 0.339 42.404 42.059 0.010 0.000 1.136 240 L HN -0.033 nan 8.230 nan 0.000 0.466 241 P HA 0.028 nan 4.420 nan 0.000 0.268 241 P C -0.799 176.496 177.300 -0.008 0.000 1.204 241 P CA -0.187 62.912 63.100 -0.002 0.000 0.768 241 P CB 0.629 32.330 31.700 0.002 0.000 0.842 242 A N 3.880 126.691 122.820 -0.014 0.000 2.584 242 A HA 0.336 4.659 4.320 0.005 0.000 0.239 242 A C 1.638 179.210 177.584 -0.020 0.000 1.043 242 A CA 0.773 52.795 52.037 -0.025 0.000 0.756 242 A CB -1.399 17.584 19.000 -0.028 0.000 0.963 242 A HN 0.911 nan 8.150 nan 0.000 0.511 243 G N 1.816 110.599 108.800 -0.029 0.000 2.180 243 G HA2 -0.311 3.652 3.960 0.005 0.000 0.263 243 G HA3 -0.311 3.652 3.960 0.005 0.000 0.263 243 G C 1.204 176.108 174.900 0.007 0.000 0.989 243 G CA 1.418 46.510 45.100 -0.012 0.000 0.692 243 G HN 2.142 nan 8.290 nan 0.000 0.526 244 S N -1.280 114.422 115.700 0.003 0.000 2.442 244 S HA 0.253 4.726 4.470 0.005 0.000 0.236 244 S C 0.994 175.599 174.600 0.008 0.000 1.007 244 S CA 1.071 59.275 58.200 0.007 0.000 0.965 244 S CB 0.135 63.338 63.200 0.005 0.000 0.773 244 S HN 0.635 nan 8.310 nan 0.000 0.504 245 L N 0.229 121.460 121.223 0.013 0.000 2.362 245 L HA 0.658 5.001 4.340 0.005 0.000 0.271 245 L C 1.206 178.097 176.870 0.036 0.000 1.002 245 L CA -0.415 54.435 54.840 0.016 0.000 0.818 245 L CB 1.678 43.752 42.059 0.025 0.000 1.298 245 L HN 0.094 nan 8.230 nan 0.000 0.420 246 A N 4.131 126.958 122.820 0.013 0.000 1.898 246 A HA 0.070 4.393 4.320 0.005 0.000 0.216 246 A C 0.658 178.348 177.584 0.177 0.000 1.181 246 A CA 1.404 53.460 52.037 0.032 0.000 0.620 246 A CB -0.032 18.833 19.000 -0.225 0.000 0.819 246 A HN 0.766 nan 8.150 nan 0.000 0.442 247 M N -3.061 116.600 119.600 0.102 0.000 2.643 247 M HA 0.644 5.127 4.480 0.005 0.000 0.276 247 M C -2.026 174.324 176.300 0.084 0.000 1.200 247 M CA -0.580 54.827 55.300 0.179 0.000 0.863 247 M CB 1.537 34.294 32.600 0.261 0.000 1.711 247 M HN -0.095 nan 8.290 nan 0.000 0.492 248 I N 2.278 122.894 120.570 0.077 0.000 2.355 248 I HA 0.435 4.608 4.170 0.005 0.000 0.288 248 I C -0.853 175.262 176.117 -0.004 0.000 0.999 248 I CA -1.084 60.242 61.300 0.043 0.000 1.163 248 I CB 2.053 40.082 38.000 0.048 0.000 1.316 248 I HN 0.476 nan 8.210 nan 0.000 0.454 249 V N 6.702 126.605 119.914 -0.019 0.000 2.320 249 V HA 0.402 4.525 4.120 0.005 0.000 0.265 249 V C 0.852 176.951 176.094 0.008 0.000 1.048 249 V CA -0.150 62.096 62.300 -0.090 0.000 0.865 249 V CB 0.649 32.444 31.823 -0.046 0.000 1.043 249 V HN 0.903 nan 8.190 nan 0.000 0.474 250 G N 3.075 111.876 108.800 0.003 0.000 2.583 250 G HA2 0.865 4.829 3.960 0.005 0.000 0.280 250 G HA3 0.865 4.829 3.960 0.005 0.000 0.280 250 G C 0.030 174.970 174.900 0.066 0.000 1.376 250 G CA -0.034 45.089 45.100 0.040 0.000 1.043 250 G HN 1.050 nan 8.290 nan 0.000 0.538 251 G N -3.543 105.255 108.800 -0.004 0.000 2.494 251 G HA2 0.498 4.461 3.960 0.005 0.000 0.308 251 G HA3 0.498 4.461 3.960 0.005 0.000 0.308 251 G C -0.031 174.751 174.900 -0.196 0.000 1.263 251 G CA 1.045 46.122 45.100 -0.039 0.000 0.840 251 G HN 1.561 nan 8.290 nan 0.000 0.479 252 H N -1.180 117.617 119.070 -0.456 0.000 4.836 252 H HA -0.335 4.224 4.556 0.005 0.000 0.067 252 H C 2.355 177.640 175.328 -0.072 0.000 0.594 252 H CA 3.953 59.775 56.048 -0.378 0.000 0.978 252 H CB -1.435 27.968 29.762 -0.599 0.000 0.436 252 H HN 1.213 nan 8.280 nan 0.000 0.790 253 S N 1.345 116.905 115.700 -0.233 0.000 2.474 253 S HA -0.053 4.420 4.470 0.005 0.000 0.235 253 S C 0.818 175.341 174.600 -0.129 0.000 0.997 253 S CA 1.176 59.224 58.200 -0.252 0.000 0.949 253 S CB -0.103 62.901 63.200 -0.327 0.000 0.766 253 S HN 0.719 nan 8.310 nan 0.000 0.517 254 Q N 1.466 121.234 119.800 -0.054 0.000 2.455 254 Q HA -0.112 4.231 4.340 0.005 0.000 0.343 254 Q C -1.437 174.568 176.000 0.010 0.000 1.458 254 Q CA 0.776 56.605 55.803 0.044 0.000 0.923 254 Q CB -1.511 27.258 28.738 0.053 0.000 1.149 254 Q HN 0.692 nan 8.270 nan 0.000 0.357 255 D N 0.860 121.204 120.400 -0.094 0.000 2.645 255 D HA 0.373 5.017 4.640 0.005 0.000 0.228 255 D C -2.680 173.449 176.300 -0.285 0.000 1.148 255 D CA -1.489 52.335 54.000 -0.293 0.000 0.860 255 D CB 2.221 42.880 40.800 -0.234 0.000 1.548 255 D HN -0.063 nan 8.370 nan 0.000 0.460 256 P HA 0.132 nan 4.420 nan 0.000 0.292 256 P C -0.124 176.913 177.300 -0.438 0.000 1.326 256 P CA -0.417 62.431 63.100 -0.420 0.000 0.787 256 P CB 1.016 32.385 31.700 -0.553 0.000 0.903 257 V N 5.324 125.014 119.914 -0.373 0.000 2.326 257 V HA 0.077 4.200 4.120 0.005 0.000 0.249 257 V C 0.300 176.147 176.094 -0.411 0.000 1.114 257 V CA 0.346 62.384 62.300 -0.437 0.000 1.028 257 V CB -0.517 31.019 31.823 -0.477 0.000 1.170 257 V HN 0.652 nan 8.190 nan 0.000 0.494 258 c N 6.857 125.214 118.600 -0.405 0.000 2.381 258 c HA 0.570 5.143 4.570 0.005 0.000 0.328 258 c C 0.107 174.081 174.090 -0.193 0.000 1.190 258 c CA -1.181 54.947 56.329 -0.336 0.000 1.369 258 c CB 1.104 43.272 42.510 -0.569 0.000 2.029 258 c HN 0.653 nan 8.230 nan 0.000 0.448 259 M N 2.378 121.905 119.600 -0.123 0.000 2.211 259 M HA 0.318 4.801 4.480 0.005 0.000 0.356 259 M C 0.957 177.245 176.300 -0.020 0.000 1.216 259 M CA -0.270 54.992 55.300 -0.064 0.000 1.134 259 M CB 0.530 33.108 32.600 -0.036 0.000 1.564 259 M HN 0.826 nan 8.290 nan 0.000 0.463 260 A N 2.411 125.226 122.820 -0.008 0.000 1.956 260 A HA 0.623 4.946 4.320 0.005 0.000 0.212 260 A C 0.875 178.464 177.584 0.008 0.000 1.188 260 A CA 1.047 53.089 52.037 0.008 0.000 0.675 260 A CB 0.203 19.209 19.000 0.009 0.000 0.845 260 A HN 0.847 nan 8.150 nan 0.000 0.455 261 A N -0.912 121.912 122.820 0.006 0.000 2.593 261 A HA 0.573 4.896 4.320 0.005 0.000 0.290 261 A C -0.641 176.948 177.584 0.009 0.000 1.126 261 A CA -0.427 51.614 52.037 0.008 0.000 0.695 261 A CB 0.315 19.319 19.000 0.007 0.000 1.290 261 A HN 0.227 nan 8.150 nan 0.000 0.414 262 E N 1.057 121.261 120.200 0.007 0.000 2.480 262 E HA 0.050 4.404 4.350 0.005 0.000 0.258 262 E C -0.182 176.426 176.600 0.013 0.000 0.984 262 E CA 0.569 56.973 56.400 0.006 0.000 0.930 262 E CB -0.033 29.666 29.700 -0.002 0.000 0.936 262 E HN 0.540 nan 8.360 nan 0.000 0.466 263 N N 2.799 121.513 118.700 0.024 0.000 2.741 263 N HA -0.230 4.513 4.740 0.005 0.000 0.251 263 N C -0.952 174.590 175.510 0.053 0.000 1.112 263 N CA 1.311 54.386 53.050 0.042 0.000 0.750 263 N CB -0.817 37.682 38.487 0.020 0.000 1.119 263 N HN 0.540 nan 8.380 nan 0.000 0.561 264 K N 0.962 121.387 120.400 0.043 0.000 2.668 264 K HA 0.235 4.558 4.320 0.005 0.000 0.246 264 K C -0.552 176.057 176.600 0.015 0.000 0.976 264 K CA -0.543 55.765 56.287 0.035 0.000 0.902 264 K CB 1.233 33.744 32.500 0.019 0.000 1.172 264 K HN -0.069 nan 8.250 nan 0.000 0.452 265 K N 2.411 122.818 120.400 0.012 0.000 2.319 265 K HA 0.064 4.387 4.320 0.005 0.000 0.265 265 K C -0.012 176.568 176.600 -0.035 0.000 1.000 265 K CA -0.086 56.169 56.287 -0.054 0.000 0.943 265 K CB 0.706 33.147 32.500 -0.098 0.000 0.950 265 K HN 0.538 nan 8.250 nan 0.000 0.485 266 Q N 0.932 120.707 119.800 -0.041 0.000 2.395 266 Q HA 0.078 4.421 4.340 0.005 0.000 0.271 266 Q C -0.417 175.583 176.000 -0.000 0.000 1.026 266 Q CA -0.111 55.695 55.803 0.006 0.000 0.900 266 Q CB 0.858 29.638 28.738 0.070 0.000 1.266 266 Q HN 0.237 nan 8.270 nan 0.000 0.430 267 V N 2.572 122.492 119.914 0.010 0.000 2.532 267 V HA 0.065 4.188 4.120 0.005 0.000 0.295 267 V C -0.255 175.850 176.094 0.018 0.000 1.041 267 V CA -0.413 61.888 62.300 0.003 0.000 0.926 267 V CB 1.669 33.492 31.823 -0.001 0.000 0.992 267 V HN 0.867 nan 8.190 nan 0.000 0.457 268 D N 1.909 122.319 120.400 0.016 0.000 2.699 268 D HA -0.236 4.407 4.640 0.005 0.000 0.239 268 D C -0.295 176.021 176.300 0.026 0.000 1.136 268 D CA 0.718 54.731 54.000 0.021 0.000 0.668 268 D CB -0.969 39.836 40.800 0.008 0.000 1.060 268 D HN 0.640 nan 8.370 nan 0.000 0.429 269 Y N 0.169 120.430 120.300 -0.066 0.000 2.712 269 Y HA 0.181 4.734 4.550 0.005 0.000 0.333 269 Y C 0.018 175.883 175.900 -0.057 0.000 1.225 269 Y CA -0.021 58.033 58.100 -0.075 0.000 1.499 269 Y CB 0.639 39.026 38.460 -0.123 0.000 1.288 269 Y HN -0.050 nan 8.280 nan 0.000 0.575 270 V N 9.330 128.702 119.914 -0.903 0.000 2.394 270 V HA 0.284 4.407 4.120 0.005 0.000 0.282 270 V C -2.089 173.375 176.094 -1.051 0.000 1.031 270 V CA -2.186 59.671 62.300 -0.738 0.000 0.881 270 V CB 1.118 32.703 31.823 -0.397 0.000 0.982 270 V HN 0.754 nan 8.190 nan 0.000 0.451 271 P HA 0.170 nan 4.420 nan 0.000 0.264 271 P C 1.012 178.071 177.300 -0.402 0.000 1.183 271 P CA 1.526 64.320 63.100 -0.510 0.000 0.763 271 P CB 0.570 31.738 31.700 -0.887 0.000 0.807 272 G N 1.251 109.995 108.800 -0.092 0.000 2.199 272 G HA2 -0.221 3.742 3.960 0.005 0.000 0.254 272 G HA3 -0.221 3.742 3.960 0.005 0.000 0.254 272 G C 0.376 175.256 174.900 -0.034 0.000 0.982 272 G CA 0.410 45.496 45.100 -0.023 0.000 0.632 272 G HN 0.804 nan 8.290 nan 0.000 0.529 273 T N -0.924 113.567 114.554 -0.106 0.000 2.912 273 T HA 0.673 5.027 4.350 0.005 0.000 0.280 273 T C -2.235 172.523 174.700 0.097 0.000 0.989 273 T CA -1.459 60.610 62.100 -0.051 0.000 0.995 273 T CB 2.071 70.847 68.868 -0.153 0.000 1.077 273 T HN 0.054 nan 8.240 nan 0.000 0.531 274 P HA 0.281 nan 4.420 nan 0.000 0.267 274 P C -0.893 176.515 177.300 0.179 0.000 1.200 274 P CA -0.448 62.712 63.100 0.100 0.000 0.772 274 P CB 0.253 31.986 31.700 0.056 0.000 0.855 275 c N 4.266 122.927 118.600 0.102 0.000 2.383 275 c HA 0.388 4.961 4.570 0.005 0.000 0.330 275 c C -0.315 173.805 174.090 0.051 0.000 1.168 275 c CA -0.737 55.605 56.329 0.021 0.000 1.374 275 c CB -0.414 42.036 42.510 -0.099 0.000 2.014 275 c HN 0.567 nan 8.230 nan 0.000 0.439 276 K N 8.113 128.505 120.400 -0.014 0.000 2.264 276 K HA 0.451 4.774 4.320 0.005 0.000 0.277 276 K C -2.144 174.393 176.600 -0.104 0.000 1.067 276 K CA -1.254 55.020 56.287 -0.022 0.000 0.900 276 K CB 1.160 33.668 32.500 0.013 0.000 1.124 276 K HN 0.564 nan 8.250 nan 0.000 0.469 277 P HA 0.001 nan 4.420 nan 0.000 0.273 277 P C -0.671 176.643 177.300 0.024 0.000 1.250 277 P CA -0.263 62.654 63.100 -0.306 0.000 0.793 277 P CB 0.675 31.921 31.700 -0.757 0.000 1.011 278 D N -0.104 120.290 120.400 -0.009 0.000 2.313 278 D HA 0.160 4.803 4.640 0.005 0.000 0.247 278 D C -0.584 175.765 176.300 0.082 0.000 1.094 278 D CA 0.111 54.142 54.000 0.051 0.000 0.925 278 D CB 0.547 41.392 40.800 0.076 0.000 1.188 278 D HN 0.241 nan 8.370 nan 0.000 0.430 279 Q N 1.902 121.636 119.800 -0.111 0.000 2.275 279 Q HA 0.269 4.612 4.340 0.005 0.000 0.266 279 Q C -1.520 174.322 176.000 -0.263 0.000 1.002 279 Q CA -0.798 54.748 55.803 -0.429 0.000 0.761 279 Q CB 1.152 29.247 28.738 -1.070 0.000 1.255 279 Q HN 0.322 nan 8.270 nan 0.000 0.446 280 Q N 2.764 122.440 119.800 -0.207 0.000 2.310 280 Q HA 0.225 4.568 4.340 0.005 0.000 0.270 280 Q C -0.693 175.229 176.000 -0.130 0.000 1.025 280 Q CA -0.511 55.216 55.803 -0.127 0.000 0.772 280 Q CB 1.694 30.397 28.738 -0.059 0.000 1.253 280 Q HN 0.872 nan 8.270 nan 0.000 0.450 281 N N 1.564 120.195 118.700 -0.115 0.000 2.727 281 N HA -0.257 4.486 4.740 0.005 0.000 0.249 281 N C 0.582 176.021 175.510 -0.118 0.000 1.048 281 N CA 1.844 54.839 53.050 -0.093 0.000 0.714 281 N CB -0.979 37.473 38.487 -0.058 0.000 0.959 281 N HN 1.076 nan 8.380 nan 0.000 0.544 282 G N -1.452 107.235 108.800 -0.189 0.000 2.168 282 G HA2 -0.295 3.668 3.960 0.005 0.000 0.263 282 G HA3 -0.295 3.668 3.960 0.005 0.000 0.263 282 G C 0.153 174.903 174.900 -0.250 0.000 0.977 282 G CA 0.520 45.485 45.100 -0.224 0.000 0.659 282 G HN 0.582 nan 8.290 nan 0.000 0.533 283 I N -0.176 120.251 120.570 -0.238 0.000 2.362 283 I HA 0.412 4.585 4.170 0.005 0.000 0.289 283 I C 0.244 176.260 176.117 -0.167 0.000 0.994 283 I CA -1.124 60.094 61.300 -0.137 0.000 1.158 283 I CB 0.901 38.876 38.000 -0.042 0.000 1.315 283 I HN 0.117 nan 8.210 nan 0.000 0.451 284 W N 7.030 128.350 121.300 0.033 0.000 2.216 284 W HA 0.436 5.100 4.660 0.006 0.000 0.326 284 W C -0.179 176.316 176.519 -0.040 0.000 1.319 284 W CA -0.168 57.172 57.345 -0.009 0.000 1.213 284 W CB 0.527 30.005 29.460 0.030 0.000 1.171 284 W HN 0.205 nan 8.180 nan 0.000 0.557 285 I N 5.013 125.691 120.570 0.179 0.000 2.418 285 I HA 0.398 4.571 4.170 0.005 0.000 0.287 285 I C -0.225 175.861 176.117 -0.051 0.000 1.008 285 I CA -1.201 60.141 61.300 0.070 0.000 1.104 285 I CB 0.937 39.006 38.000 0.115 0.000 1.264 285 I HN 0.155 nan 8.210 nan 0.000 0.438 286 V N 2.831 122.669 119.914 -0.127 0.000 3.074 286 V HA 0.745 4.868 4.120 0.005 0.000 0.314 286 V C -0.963 175.065 176.094 -0.110 0.000 1.117 286 V CA -0.493 61.672 62.300 -0.226 0.000 1.014 286 V CB 2.033 33.630 31.823 -0.376 0.000 1.057 286 V HN 0.900 nan 8.190 nan 0.000 0.438 287 Q N 1.162 120.973 119.800 0.020 0.000 2.403 287 Q HA 0.694 5.037 4.340 0.005 0.000 0.267 287 Q C -0.941 175.153 176.000 0.157 0.000 0.991 287 Q CA -0.125 55.746 55.803 0.114 0.000 0.906 287 Q CB 2.219 30.950 28.738 -0.011 0.000 1.422 287 Q HN 1.369 nan 8.270 nan 0.000 0.400 288 A N 3.153 126.095 122.820 0.202 0.000 2.842 288 A HA 0.285 4.609 4.320 0.005 0.000 0.298 288 A C 0.288 178.014 177.584 0.236 0.000 1.293 288 A CA 0.780 52.875 52.037 0.097 0.000 0.959 288 A CB -0.667 18.327 19.000 -0.010 0.000 1.119 288 A HN 1.134 nan 8.150 nan 0.000 0.564 289 H N 0.221 119.307 119.070 0.027 0.000 1.475 289 H HA -0.293 4.266 4.556 0.005 0.000 0.090 289 H C 0.305 175.620 175.328 -0.023 0.000 0.616 289 H CA 2.005 58.063 56.048 0.016 0.000 1.899 289 H CB -0.879 28.969 29.762 0.143 0.000 2.253 289 H HN 0.712 nan 8.280 nan 0.000 0.961 290 E N -1.315 118.861 120.200 -0.040 0.000 2.417 290 E HA 0.124 4.477 4.350 0.005 0.000 0.280 290 E C -0.938 175.522 176.600 -0.233 0.000 1.112 290 E CA -0.207 56.080 56.400 -0.189 0.000 0.863 290 E CB 0.492 29.848 29.700 -0.573 0.000 1.346 290 E HN 0.486 nan 8.360 nan 0.000 0.443 291 W N 0.194 121.279 121.300 -0.358 0.000 4.973 291 W HA -0.185 4.478 4.660 0.005 0.000 0.350 291 W C 1.101 177.282 176.519 -0.564 0.000 1.280 291 W CA 2.075 59.003 57.345 -0.695 0.000 0.854 291 W CB -2.348 26.302 29.460 -1.350 0.000 2.367 291 W HN 1.606 nan 8.180 nan 0.000 1.511 292 G N -1.088 107.719 108.800 0.012 0.000 2.179 292 G HA2 -0.430 3.533 3.960 0.005 0.000 0.257 292 G HA3 -0.430 3.533 3.960 0.005 0.000 0.257 292 G C 1.358 176.250 174.900 -0.014 0.000 1.010 292 G CA 0.795 45.941 45.100 0.077 0.000 0.736 292 G HN 0.440 nan 8.290 nan 0.000 0.513 293 K N -1.566 118.747 120.400 -0.145 0.000 2.148 293 K HA 0.086 4.409 4.320 0.005 0.000 0.204 293 K C 0.429 176.791 176.600 -0.397 0.000 1.050 293 K CA 1.151 57.273 56.287 -0.274 0.000 0.942 293 K CB 0.062 32.278 32.500 -0.473 0.000 0.724 293 K HN 0.589 nan 8.250 nan 0.000 0.446 294 Y N -1.513 118.797 120.300 0.017 0.000 2.581 294 Y HA 0.362 4.915 4.550 0.005 0.000 0.345 294 Y C -0.670 175.192 175.900 -0.063 0.000 1.036 294 Y CA -1.315 56.779 58.100 -0.011 0.000 1.042 294 Y CB 1.726 40.175 38.460 -0.020 0.000 1.289 294 Y HN -0.447 nan 8.280 nan 0.000 0.471 295 V N 1.992 121.954 119.914 0.079 0.000 2.378 295 V HA 0.595 4.718 4.120 0.005 0.000 0.288 295 V C 0.293 176.265 176.094 -0.204 0.000 1.016 295 V CA -0.806 61.447 62.300 -0.077 0.000 0.840 295 V CB 1.222 33.002 31.823 -0.072 0.000 0.994 295 V HN 0.943 nan 8.190 nan 0.000 0.431 296 G N 3.891 112.400 108.800 -0.486 0.000 2.467 296 G HA2 0.503 4.466 3.960 0.005 0.000 0.257 296 G HA3 0.503 4.466 3.960 0.005 0.000 0.257 296 G C -0.277 174.433 174.900 -0.316 0.000 1.227 296 G CA -0.370 44.398 45.100 -0.552 0.000 0.835 296 G HN 0.675 nan 8.290 nan 0.000 0.556 297 R N 1.287 121.545 120.500 -0.403 0.000 2.473 297 R HA 0.541 4.884 4.340 0.005 0.000 0.303 297 R C -0.777 175.337 176.300 -0.309 0.000 1.002 297 R CA -0.603 55.348 56.100 -0.249 0.000 0.884 297 R CB 1.161 31.320 30.300 -0.236 0.000 1.173 297 R HN 0.607 nan 8.270 nan 0.000 0.464 298 A N 4.253 127.077 122.820 0.006 0.000 2.258 298 A HA 0.362 4.686 4.320 0.005 0.000 0.316 298 A C -1.043 176.522 177.584 -0.031 0.000 1.279 298 A CA -0.738 51.328 52.037 0.049 0.000 0.876 298 A CB 0.797 19.968 19.000 0.284 0.000 1.170 298 A HN 0.702 nan 8.150 nan 0.000 0.520 299 D N 2.399 122.678 120.400 -0.202 0.000 2.329 299 D HA 0.519 5.163 4.640 0.005 0.000 0.232 299 D C -0.890 175.275 176.300 -0.226 0.000 1.088 299 D CA 0.589 54.522 54.000 -0.111 0.000 0.835 299 D CB 0.982 41.718 40.800 -0.107 0.000 1.078 299 D HN 0.347 nan 8.370 nan 0.000 0.495 300 F N 0.604 120.549 119.950 -0.009 0.000 2.556 300 F HA 0.351 4.881 4.527 0.005 0.000 0.327 300 F C 0.801 176.636 175.800 0.059 0.000 1.059 300 F CA -0.814 57.198 58.000 0.021 0.000 0.953 300 F CB 1.855 40.882 39.000 0.046 0.000 1.227 300 F HN 0.012 nan 8.300 nan 0.000 0.478 301 E N 1.579 121.961 120.200 0.303 0.000 2.224 301 E HA 0.293 4.646 4.350 0.005 0.000 0.265 301 E C -1.755 175.009 176.600 0.272 0.000 0.878 301 E CA -0.686 55.852 56.400 0.230 0.000 0.759 301 E CB 2.527 32.301 29.700 0.124 0.000 1.164 301 E HN 0.416 nan 8.360 nan 0.000 0.414 302 F N 3.378 123.410 119.950 0.136 0.000 2.458 302 F HA 0.554 5.084 4.527 0.005 0.000 0.336 302 F C -0.662 175.199 175.800 0.102 0.000 1.114 302 F CA -0.588 57.458 58.000 0.076 0.000 0.987 302 F CB 1.041 40.035 39.000 -0.011 0.000 1.130 302 F HN 0.316 nan 8.300 nan 0.000 0.458 303 R N 4.856 124.920 120.500 -0.727 0.000 2.515 303 R HA 0.254 4.598 4.340 0.005 0.000 0.278 303 R C -0.852 174.990 176.300 -0.764 0.000 1.107 303 R CA -0.558 55.225 56.100 -0.528 0.000 0.945 303 R CB 0.826 31.003 30.300 -0.206 0.000 1.219 303 R HN 0.818 nan 8.270 nan 0.000 0.434 304 N N 2.713 120.991 118.700 -0.703 0.000 2.707 304 N HA -0.229 4.514 4.740 0.005 0.000 0.253 304 N C 0.642 175.894 175.510 -0.430 0.000 0.998 304 N CA 1.946 54.760 53.050 -0.393 0.000 0.751 304 N CB -1.010 37.439 38.487 -0.064 0.000 0.920 304 N HN 1.085 nan 8.380 nan 0.000 0.539 305 G N -1.891 106.339 108.800 -0.950 0.000 2.225 305 G HA2 -0.314 3.649 3.960 0.005 0.000 0.254 305 G HA3 -0.314 3.649 3.960 0.005 0.000 0.254 305 G C -0.282 174.428 174.900 -0.315 0.000 0.988 305 G CA 0.447 45.339 45.100 -0.346 0.000 0.625 305 G HN 0.419 nan 8.290 nan 0.000 0.527 306 E N 0.512 120.420 120.200 -0.487 0.000 2.175 306 E HA 0.611 4.964 4.350 0.005 0.000 0.278 306 E C 0.074 176.591 176.600 -0.137 0.000 0.969 306 E CA -0.596 55.686 56.400 -0.197 0.000 0.796 306 E CB 1.212 30.842 29.700 -0.116 0.000 1.104 306 E HN 0.156 nan 8.360 nan 0.000 0.395 307 M N 2.303 121.964 119.600 0.103 0.000 2.101 307 M HA 0.245 4.728 4.480 0.005 0.000 0.340 307 M C -0.316 176.189 176.300 0.341 0.000 1.057 307 M CA -0.429 55.025 55.300 0.258 0.000 0.984 307 M CB 0.670 33.398 32.600 0.212 0.000 1.560 307 M HN 0.287 nan 8.290 nan 0.000 0.435 308 K N 4.394 125.012 120.400 0.363 0.000 2.323 308 K HA 0.462 4.785 4.320 0.005 0.000 0.259 308 K C -0.965 175.768 176.600 0.222 0.000 0.947 308 K CA -0.460 56.004 56.287 0.296 0.000 0.819 308 K CB 1.836 34.425 32.500 0.148 0.000 1.109 308 K HN 0.762 nan 8.250 nan 0.000 0.429 309 M N 5.812 125.407 119.600 -0.010 0.000 2.146 309 M HA 0.074 4.557 4.480 0.005 0.000 0.352 309 M C -0.331 175.737 176.300 -0.386 0.000 1.343 309 M CA -0.166 54.694 55.300 -0.732 0.000 1.115 309 M CB 1.136 32.969 32.600 -1.278 0.000 1.657 309 M HN 0.588 nan 8.290 nan 0.000 0.471 310 V N 4.201 123.912 119.914 -0.339 0.000 2.949 310 V HA 0.186 4.310 4.120 0.005 0.000 0.245 310 V C 0.312 176.287 176.094 -0.200 0.000 1.086 310 V CA 0.703 62.894 62.300 -0.182 0.000 1.097 310 V CB -0.164 31.602 31.823 -0.095 0.000 0.762 310 V HN 0.939 nan 8.190 nan 0.000 0.470 311 N N -1.249 117.289 118.700 -0.270 0.000 2.598 311 N HA 0.430 5.173 4.740 0.005 0.000 0.263 311 N C -1.906 173.469 175.510 -0.225 0.000 1.254 311 N CA -0.503 52.422 53.050 -0.208 0.000 0.863 311 N CB 2.263 40.661 38.487 -0.150 0.000 1.586 311 N HN 0.080 nan 8.380 nan 0.000 0.491 312 Y N 1.459 121.587 120.300 -0.288 0.000 2.479 312 Y HA 0.448 5.002 4.550 0.006 0.000 0.338 312 Y C -1.558 174.239 175.900 -0.173 0.000 1.055 312 Y CA -0.288 57.651 58.100 -0.268 0.000 1.023 312 Y CB 1.344 39.586 38.460 -0.363 0.000 1.287 312 Y HN 0.638 nan 8.280 nan 0.000 0.447 313 Q N 5.076 124.261 119.800 -1.026 0.000 2.522 313 Q HA 0.576 4.919 4.340 0.005 0.000 0.285 313 Q C -2.318 173.272 176.000 -0.682 0.000 0.982 313 Q CA -1.194 54.261 55.803 -0.580 0.000 0.805 313 Q CB 2.642 31.206 28.738 -0.289 0.000 1.457 313 Q HN 0.719 nan 8.270 nan 0.000 0.394 314 L N 2.162 123.189 121.223 -0.326 0.000 2.296 314 L HA 0.545 4.888 4.340 0.005 0.000 0.286 314 L C -0.672 176.180 176.870 -0.030 0.000 1.023 314 L CA -0.822 53.865 54.840 -0.256 0.000 0.812 314 L CB 1.318 43.103 42.059 -0.456 0.000 1.223 314 L HN 0.570 nan 8.230 nan 0.000 0.421 315 I N 5.419 126.001 120.570 0.021 0.000 2.307 315 I HA 0.282 4.455 4.170 0.005 0.000 0.289 315 I C -2.148 174.084 176.117 0.192 0.000 1.021 315 I CA -1.964 59.380 61.300 0.073 0.000 1.224 315 I CB 1.374 39.365 38.000 -0.014 0.000 1.376 315 I HN 0.264 nan 8.210 nan 0.000 0.470 316 P HA 0.010 nan 4.420 nan 0.000 0.269 316 P C -0.533 176.774 177.300 0.012 0.000 1.209 316 P CA -0.089 63.046 63.100 0.059 0.000 0.776 316 P CB 0.678 32.402 31.700 0.041 0.000 0.876 317 V N 4.345 124.238 119.914 -0.034 0.000 2.239 317 V HA 0.169 4.292 4.120 0.005 0.000 0.267 317 V C 0.240 176.348 176.094 0.023 0.000 1.056 317 V CA -0.367 61.943 62.300 0.016 0.000 0.830 317 V CB -0.607 31.247 31.823 0.052 0.000 1.090 317 V HN 0.671 nan 8.190 nan 0.000 0.459 318 N N 2.044 120.753 118.700 0.015 0.000 2.725 318 N HA -0.174 4.569 4.740 0.005 0.000 0.249 318 N C -0.101 175.425 175.510 0.027 0.000 1.103 318 N CA 0.653 53.708 53.050 0.009 0.000 0.707 318 N CB -0.911 37.560 38.487 -0.027 0.000 1.043 318 N HN 0.588 nan 8.380 nan 0.000 0.553 319 L N -0.013 121.249 121.223 0.066 0.000 2.439 319 L HA 0.172 4.516 4.340 0.005 0.000 0.269 319 L C 0.915 177.915 176.870 0.217 0.000 1.179 319 L CA 0.513 55.432 54.840 0.131 0.000 0.828 319 L CB 0.491 42.594 42.059 0.075 0.000 1.106 319 L HN -0.028 nan 8.230 nan 0.000 0.467 320 K N 2.245 122.731 120.400 0.143 0.000 2.426 320 K HA 0.449 4.772 4.320 0.005 0.000 0.251 320 K C -1.048 175.473 176.600 -0.131 0.000 0.941 320 K CA -0.993 55.252 56.287 -0.071 0.000 0.808 320 K CB 2.717 35.163 32.500 -0.089 0.000 1.265 320 K HN 0.442 nan 8.250 nan 0.000 0.432 333 V N 0.114 119.909 119.914 -0.198 0.000 2.680 333 V HA 0.629 4.752 4.120 0.005 0.000 0.309 333 V C 0.583 176.530 176.094 -0.245 0.000 1.052 333 V CA -1.256 60.933 62.300 -0.185 0.000 0.908 333 V CB 2.162 33.881 31.823 -0.172 0.000 1.001 333 V HN 0.594 nan 8.190 nan 0.000 0.431 334 L N 2.707 123.838 121.223 -0.154 0.000 2.483 334 L HA 0.182 4.525 4.340 0.005 0.000 0.276 334 L C 0.827 177.617 176.870 -0.132 0.000 1.213 334 L CA 0.267 55.044 54.840 -0.105 0.000 0.843 334 L CB 0.208 42.246 42.059 -0.035 0.000 1.107 334 L HN 0.769 nan 8.230 nan 0.000 0.487 335 Y N -0.170 120.112 120.300 -0.030 0.000 2.347 335 Y HA -0.024 4.529 4.550 0.005 0.000 0.294 335 Y C 1.516 177.404 175.900 -0.019 0.000 1.117 335 Y CA 0.640 58.724 58.100 -0.026 0.000 1.184 335 Y CB 0.241 38.688 38.460 -0.021 0.000 1.047 335 Y HN 0.707 nan 8.280 nan 0.000 0.546 336 T N -3.249 111.397 114.554 0.152 0.000 2.858 336 T HA 0.515 4.868 4.350 0.005 0.000 0.285 336 T C -2.855 171.869 174.700 0.041 0.000 1.052 336 T CA -2.465 59.682 62.100 0.080 0.000 1.009 336 T CB 1.453 70.366 68.868 0.076 0.000 1.241 336 T HN -0.379 nan 8.240 nan 0.000 0.542 337 P HA 0.187 nan 4.420 nan 0.000 0.265 337 P C -0.294 177.008 177.300 0.003 0.000 1.193 337 P CA -0.133 62.971 63.100 0.007 0.000 0.765 337 P CB 0.241 31.942 31.700 0.002 0.000 0.823 338 E N 2.799 122.996 120.200 -0.006 0.000 2.414 338 E HA 0.087 4.441 4.350 0.005 0.000 0.263 338 E C -0.648 175.944 176.600 -0.014 0.000 1.000 338 E CA -0.146 56.246 56.400 -0.013 0.000 0.914 338 E CB 0.231 29.919 29.700 -0.021 0.000 0.948 338 E HN 0.336 nan 8.360 nan 0.000 0.444 339 I N 3.979 124.539 120.570 -0.018 0.000 2.330 339 I HA 0.285 4.458 4.170 0.005 0.000 0.289 339 I C 0.293 176.392 176.117 -0.030 0.000 1.001 339 I CA -0.712 60.576 61.300 -0.020 0.000 1.193 339 I CB 1.472 39.463 38.000 -0.014 0.000 1.345 339 I HN 0.561 nan 8.210 nan 0.000 0.461 340 A N 6.090 128.892 122.820 -0.029 0.000 2.483 340 A HA 0.188 4.511 4.320 0.005 0.000 0.238 340 A C 0.185 177.743 177.584 -0.044 0.000 1.070 340 A CA -0.168 51.847 52.037 -0.036 0.000 0.770 340 A CB 0.122 19.105 19.000 -0.028 0.000 1.008 340 A HN 0.734 nan 8.150 nan 0.000 0.497 341 E N 1.761 121.924 120.200 -0.061 0.000 2.259 341 E HA 0.024 4.377 4.350 0.005 0.000 0.281 341 E C -0.099 176.473 176.600 -0.047 0.000 1.037 341 E CA -0.450 55.906 56.400 -0.074 0.000 0.854 341 E CB 0.655 30.277 29.700 -0.131 0.000 1.051 341 E HN 0.684 nan 8.360 nan 0.000 0.409 342 N N 3.006 121.688 118.700 -0.029 0.000 2.447 342 N HA -0.125 4.619 4.740 0.005 0.000 0.263 342 N C 0.783 176.292 175.510 -0.001 0.000 1.226 342 N CA 0.207 53.251 53.050 -0.009 0.000 0.906 342 N CB 1.103 39.592 38.487 0.002 0.000 1.060 342 N HN 0.454 nan 8.380 nan 0.000 0.468 343 Q N 3.193 122.997 119.800 0.006 0.000 2.119 343 Q HA -0.200 4.143 4.340 0.005 0.000 0.201 343 Q C 1.869 177.891 176.000 0.036 0.000 0.972 343 Q CA 1.786 57.600 55.803 0.018 0.000 0.847 343 Q CB -0.158 28.590 28.738 0.017 0.000 0.903 343 Q HN 0.797 nan 8.270 nan 0.000 0.433 344 Q N -1.012 118.809 119.800 0.036 0.000 2.124 344 Q HA -0.192 4.151 4.340 0.005 0.000 0.202 344 Q C 1.897 177.937 176.000 0.067 0.000 0.977 344 Q CA 1.763 57.594 55.803 0.048 0.000 0.850 344 Q CB -0.119 28.643 28.738 0.041 0.000 0.901 344 Q HN 0.467 nan 8.270 nan 0.000 0.429 345 M N 0.051 119.689 119.600 0.063 0.000 2.132 345 M HA -0.137 4.346 4.480 0.005 0.000 0.263 345 M C 1.615 177.994 176.300 0.132 0.000 1.065 345 M CA 1.306 56.660 55.300 0.090 0.000 1.122 345 M CB -0.192 32.449 32.600 0.068 0.000 1.365 345 M HN 0.254 nan 8.290 nan 0.000 0.411 346 I N -0.400 120.228 120.570 0.096 0.000 2.208 346 I HA -0.259 3.914 4.170 0.005 0.000 0.245 346 I C 2.201 178.447 176.117 0.216 0.000 1.097 346 I CA 1.373 62.761 61.300 0.147 0.000 1.363 346 I CB -1.683 36.353 38.000 0.060 0.000 1.051 346 I HN 0.293 nan 8.210 nan 0.000 0.413 347 S N 0.748 116.533 115.700 0.140 0.000 2.402 347 S HA -0.118 4.355 4.470 0.005 0.000 0.229 347 S C 1.930 176.608 174.600 0.130 0.000 1.021 347 S CA 0.783 59.054 58.200 0.119 0.000 0.974 347 S CB -0.313 62.933 63.200 0.075 0.000 0.800 347 S HN 0.346 nan 8.310 nan 0.000 0.484 348 L N 1.496 122.808 121.223 0.150 0.000 2.072 348 L HA 0.120 4.464 4.340 0.005 0.000 0.205 348 L C 1.802 178.838 176.870 0.278 0.000 1.079 348 L CA 1.653 56.597 54.840 0.172 0.000 0.752 348 L CB -0.368 41.779 42.059 0.147 0.000 0.906 348 L HN 0.258 nan 8.230 nan 0.000 0.436 349 L N -1.771 119.649 121.223 0.328 0.000 2.307 349 L HA -0.008 4.335 4.340 0.005 0.000 0.211 349 L C 2.406 179.544 176.870 0.447 0.000 1.099 349 L CA 0.552 55.661 54.840 0.447 0.000 0.816 349 L CB -0.577 41.840 42.059 0.597 0.000 0.952 349 L HN 0.140 nan 8.230 nan 0.000 0.455 350 S N 0.715 116.654 115.700 0.398 0.000 2.372 350 S HA -0.140 4.333 4.470 0.005 0.000 0.227 350 S C -0.433 174.162 174.600 -0.008 0.000 1.044 350 S CA 1.772 60.079 58.200 0.178 0.000 1.050 350 S CB -1.066 62.257 63.200 0.204 0.000 0.901 350 S HN 0.292 nan 8.310 nan 0.000 0.447 351 P HA -0.048 nan 4.420 nan 0.000 0.216 351 P C 0.909 178.066 177.300 -0.239 0.000 1.150 351 P CA 0.992 63.968 63.100 -0.207 0.000 0.837 351 P CB -0.089 31.399 31.700 -0.355 0.000 0.786 352 F N -0.655 119.209 119.950 -0.143 0.000 2.146 352 F HA -0.141 4.389 4.527 0.005 0.000 0.298 352 F C 2.676 178.402 175.800 -0.124 0.000 1.096 352 F CA 1.214 59.096 58.000 -0.198 0.000 1.275 352 F CB -1.188 37.574 39.000 -0.397 0.000 1.008 352 F HN -0.112 nan 8.300 nan 0.000 0.480 353 Q N 0.999 120.846 119.800 0.079 0.000 2.050 353 Q HA -0.186 4.157 4.340 0.005 0.000 0.202 353 Q C 1.860 177.732 176.000 -0.212 0.000 0.980 353 Q CA 2.010 57.721 55.803 -0.152 0.000 0.840 353 Q CB -0.466 27.733 28.738 -0.898 0.000 0.898 353 Q HN 0.211 nan 8.270 nan 0.000 0.424 354 N N 0.249 118.830 118.700 -0.199 0.000 2.120 354 N HA -0.157 4.586 4.740 0.005 0.000 0.188 354 N C 1.454 176.901 175.510 -0.105 0.000 1.024 354 N CA 1.474 54.433 53.050 -0.152 0.000 0.852 354 N CB -0.335 38.078 38.487 -0.124 0.000 1.003 354 N HN 0.363 nan 8.380 nan 0.000 0.424 355 K N 0.546 120.892 120.400 -0.090 0.000 2.057 355 K HA -0.052 4.271 4.320 0.005 0.000 0.206 355 K C 2.013 178.595 176.600 -0.030 0.000 1.050 355 K CA 1.369 57.618 56.287 -0.064 0.000 0.935 355 K CB -0.339 32.114 32.500 -0.079 0.000 0.715 355 K HN 0.151 nan 8.250 nan 0.000 0.439 356 G N 1.459 110.254 108.800 -0.009 0.000 2.418 356 G HA2 -0.218 3.745 3.960 0.005 0.000 0.217 356 G HA3 -0.218 3.745 3.960 0.005 0.000 0.217 356 G C 1.399 176.269 174.900 -0.050 0.000 1.158 356 G CA 0.479 45.581 45.100 0.004 0.000 0.771 356 G HN 0.157 nan 8.290 nan 0.000 0.545 357 K N 0.961 121.306 120.400 -0.093 0.000 2.057 357 K HA 0.028 4.351 4.320 0.005 0.000 0.207 357 K C 2.860 179.413 176.600 -0.079 0.000 1.049 357 K CA 1.223 57.441 56.287 -0.115 0.000 0.931 357 K CB -0.740 31.675 32.500 -0.141 0.000 0.714 357 K HN 0.273 nan 8.250 nan 0.000 0.440 358 A N 1.043 123.826 122.820 -0.062 0.000 1.969 358 A HA -0.187 4.136 4.320 0.005 0.000 0.218 358 A C 2.157 179.728 177.584 -0.020 0.000 1.169 358 A CA 1.530 53.542 52.037 -0.042 0.000 0.635 358 A CB -0.350 18.625 19.000 -0.041 0.000 0.810 358 A HN 0.278 nan 8.150 nan 0.000 0.445 359 Q N 0.096 119.890 119.800 -0.009 0.000 2.291 359 Q HA -0.005 4.338 4.340 0.005 0.000 0.205 359 Q C 1.608 177.635 176.000 0.045 0.000 0.970 359 Q CA 1.096 56.913 55.803 0.023 0.000 0.876 359 Q CB -0.677 28.087 28.738 0.043 0.000 0.935 359 Q HN 0.695 nan 8.270 nan 0.000 0.455 360 L N 0.180 121.408 121.223 0.009 0.000 2.191 360 L HA -0.145 4.198 4.340 0.005 0.000 0.212 360 L C 1.939 178.835 176.870 0.043 0.000 1.103 360 L CA 0.973 55.823 54.840 0.016 0.000 0.769 360 L CB -0.436 41.567 42.059 -0.094 0.000 0.908 360 L HN 0.227 nan 8.230 nan 0.000 0.438 361 E N -0.027 120.183 120.200 0.016 0.000 2.208 361 E HA -0.016 4.337 4.350 0.005 0.000 0.193 361 E C 0.834 177.449 176.600 0.025 0.000 0.988 361 E CA 0.275 56.684 56.400 0.014 0.000 0.828 361 E CB -0.118 29.581 29.700 -0.002 0.000 0.763 361 E HN 0.209 nan 8.360 nan 0.000 0.478 362 V N 2.876 122.810 119.914 0.033 0.000 2.673 362 V HA -0.081 4.042 4.120 0.005 0.000 0.303 362 V C 0.812 176.923 176.094 0.029 0.000 1.046 362 V CA 0.019 62.336 62.300 0.028 0.000 1.126 362 V CB 0.395 32.237 31.823 0.031 0.000 0.934 362 V HN 0.079 nan 8.190 nan 0.000 0.487 363 K N 4.844 125.254 120.400 0.016 0.000 2.447 363 K HA 0.099 4.423 4.320 0.005 0.000 0.281 363 K C 0.869 177.470 176.600 0.001 0.000 1.031 363 K CA 0.019 56.310 56.287 0.008 0.000 1.019 363 K CB 0.281 32.782 32.500 0.003 0.000 0.918 363 K HN 0.755 nan 8.250 nan 0.000 0.476 364 I N 0.458 121.022 120.570 -0.011 0.000 4.181 364 I HA 0.389 4.562 4.170 0.005 0.000 0.331 364 I C 0.596 176.688 176.117 -0.041 0.000 1.312 364 I CA -0.337 60.943 61.300 -0.034 0.000 1.146 364 I CB 0.825 38.782 38.000 -0.071 0.000 1.074 364 I HN 0.660 nan 8.210 nan 0.000 0.402 365 G N 1.684 110.467 108.800 -0.030 0.000 2.427 365 G HA2 0.523 4.486 3.960 0.005 0.000 0.306 365 G HA3 0.523 4.486 3.960 0.005 0.000 0.306 365 G C -1.991 172.900 174.900 -0.016 0.000 1.280 365 G CA -0.278 44.804 45.100 -0.030 0.000 0.837 365 G HN 0.451 nan 8.290 nan 0.000 0.482 366 E N -1.812 118.381 120.200 -0.012 0.000 2.407 366 E HA 0.626 4.979 4.350 0.005 0.000 0.279 366 E C -1.659 174.946 176.600 0.009 0.000 1.012 366 E CA -0.881 55.518 56.400 -0.001 0.000 0.800 366 E CB 2.138 31.839 29.700 0.001 0.000 1.276 366 E HN 0.598 nan 8.360 nan 0.000 0.452 367 T N 0.362 114.926 114.554 0.017 0.000 2.893 367 T HA 0.267 4.620 4.350 0.005 0.000 0.293 367 T C -0.195 174.524 174.700 0.032 0.000 1.027 367 T CA -0.555 61.564 62.100 0.032 0.000 0.988 367 T CB 1.017 69.905 68.868 0.034 0.000 1.043 367 T HN 0.600 nan 8.240 nan 0.000 0.461 368 N N 2.187 120.912 118.700 0.042 0.000 2.322 368 N HA 0.287 5.030 4.740 0.005 0.000 0.194 368 N C 0.382 175.915 175.510 0.037 0.000 1.126 368 N CA -0.237 52.834 53.050 0.035 0.000 0.845 368 N CB 0.441 38.947 38.487 0.033 0.000 0.976 368 N HN 0.752 nan 8.380 nan 0.000 0.475 369 G N -0.535 108.291 108.800 0.045 0.000 2.703 369 G HA2 0.347 4.310 3.960 0.005 0.000 0.294 369 G HA3 0.347 4.310 3.960 0.005 0.000 0.294 369 G C -1.599 173.327 174.900 0.044 0.000 1.451 369 G CA -1.084 44.042 45.100 0.044 0.000 0.869 369 G HN 0.226 nan 8.290 nan 0.000 0.516 370 R N 0.646 121.168 120.500 0.037 0.000 2.522 370 R HA 0.229 4.572 4.340 0.005 0.000 0.284 370 R C -0.406 175.920 176.300 0.042 0.000 1.032 370 R CA -0.107 56.014 56.100 0.033 0.000 1.049 370 R CB 0.164 30.480 30.300 0.027 0.000 0.956 370 R HN 0.369 nan 8.270 nan 0.000 0.422 371 L N 4.253 125.496 121.223 0.035 0.000 2.255 371 L HA 0.178 4.521 4.340 0.005 0.000 0.289 371 L C 0.000 176.891 176.870 0.035 0.000 1.046 371 L CA -0.454 54.407 54.840 0.036 0.000 0.816 371 L CB 1.295 43.362 42.059 0.013 0.000 1.197 371 L HN 0.597 nan 8.230 nan 0.000 0.427 372 E N 2.364 122.593 120.200 0.048 0.000 2.220 372 E HA 0.209 4.562 4.350 0.005 0.000 0.272 372 E C 0.762 177.394 176.600 0.053 0.000 1.099 372 E CA 0.147 56.576 56.400 0.049 0.000 0.907 372 E CB 0.939 30.674 29.700 0.059 0.000 1.022 372 E HN 0.608 nan 8.360 nan 0.000 0.428 373 G N 3.824 112.650 108.800 0.043 0.000 3.695 373 G HA2 0.038 4.001 3.960 0.005 0.000 0.277 373 G HA3 0.038 4.001 3.960 0.005 0.000 0.277 373 G C -0.440 174.488 174.900 0.047 0.000 1.001 373 G CA -0.484 44.642 45.100 0.044 0.000 0.837 373 G HN 0.430 nan 8.290 nan 0.000 0.492 374 D N 0.534 120.961 120.400 0.046 0.000 2.424 374 D HA 0.113 4.756 4.640 0.005 0.000 0.244 374 D C 1.519 177.860 176.300 0.069 0.000 1.134 374 D CA -0.277 53.750 54.000 0.046 0.000 0.881 374 D CB 1.477 42.296 40.800 0.033 0.000 1.191 374 D HN 0.094 nan 8.370 nan 0.000 0.445 375 R N 1.867 122.411 120.500 0.072 0.000 2.113 375 R HA -0.222 4.121 4.340 0.005 0.000 0.244 375 R C 0.932 177.327 176.300 0.158 0.000 1.142 375 R CA 1.933 58.093 56.100 0.101 0.000 0.953 375 R CB -0.028 30.326 30.300 0.088 0.000 0.860 375 R HN 0.518 nan 8.270 nan 0.000 0.438 376 D N -0.523 119.956 120.400 0.132 0.000 2.352 376 D HA -0.088 4.555 4.640 0.005 0.000 0.232 376 D C 0.751 177.105 176.300 0.090 0.000 1.055 376 D CA 0.638 54.729 54.000 0.151 0.000 0.891 376 D CB 0.263 41.047 40.800 -0.027 0.000 0.897 376 D HN 0.164 nan 8.370 nan 0.000 0.529 377 K N 0.024 120.498 120.400 0.124 0.000 2.309 377 K HA 0.078 4.402 4.320 0.005 0.000 0.210 377 K C 2.236 178.934 176.600 0.164 0.000 1.114 377 K CA 1.093 57.443 56.287 0.104 0.000 0.912 377 K CB -0.804 31.735 32.500 0.064 0.000 1.198 377 K HN 0.185 nan 8.250 nan 0.000 0.471 378 V N 0.233 120.241 119.914 0.156 0.000 2.913 378 V HA -0.027 4.096 4.120 0.005 0.000 0.260 378 V C 1.586 177.801 176.094 0.201 0.000 1.098 378 V CA 1.258 63.667 62.300 0.183 0.000 1.121 378 V CB -0.638 31.275 31.823 0.151 0.000 0.714 378 V HN 0.141 nan 8.190 nan 0.000 0.487 379 R N -1.679 118.891 120.500 0.117 0.000 2.334 379 R HA 0.356 4.699 4.340 0.005 0.000 0.216 379 R C 1.159 177.036 176.300 -0.706 0.000 0.905 379 R CA 0.519 56.561 56.100 -0.095 0.000 1.064 379 R CB 0.073 30.316 30.300 -0.095 0.000 1.046 379 R HN 0.596 nan 8.270 nan 0.000 0.508 380 F N -0.778 118.823 119.950 -0.581 0.000 2.640 380 F HA 0.128 4.658 4.527 0.005 0.000 0.285 380 F C 0.713 176.046 175.800 -0.777 0.000 1.031 380 F CA -0.384 57.185 58.000 -0.718 0.000 1.240 380 F CB 0.750 39.565 39.000 -0.309 0.000 1.011 380 F HN -0.280 nan 8.300 nan 0.000 0.656 381 V N -2.639 117.184 119.914 -0.151 0.000 3.181 381 V HA 0.538 4.661 4.120 0.005 0.000 0.308 381 V C -0.922 175.401 176.094 0.381 0.000 1.214 381 V CA -1.232 61.165 62.300 0.163 0.000 1.053 381 V CB 1.420 33.339 31.823 0.159 0.000 1.069 381 V HN -0.168 nan 8.190 nan 0.000 0.441 382 Q N 2.124 122.177 119.800 0.423 0.000 2.332 382 Q HA 0.502 4.845 4.340 0.005 0.000 0.263 382 Q C 0.273 176.419 176.000 0.244 0.000 0.979 382 Q CA 0.504 56.522 55.803 0.357 0.000 0.885 382 Q CB 1.190 30.123 28.738 0.325 0.000 1.218 382 Q HN 1.164 nan 8.270 nan 0.000 0.405 383 T N -1.728 112.951 114.554 0.210 0.000 2.907 383 T HA 0.300 4.653 4.350 0.005 0.000 0.290 383 T C 1.001 175.792 174.700 0.152 0.000 1.066 383 T CA -0.719 61.477 62.100 0.160 0.000 1.012 383 T CB 0.832 69.781 68.868 0.135 0.000 1.184 383 T HN 0.481 nan 8.240 nan 0.000 0.522 384 N N 0.885 119.670 118.700 0.140 0.000 2.223 384 N HA -0.132 4.611 4.740 0.005 0.000 0.185 384 N C 1.566 177.137 175.510 0.101 0.000 1.016 384 N CA 1.318 54.468 53.050 0.165 0.000 0.863 384 N CB -0.801 37.793 38.487 0.179 0.000 0.983 384 N HN 0.587 nan 8.380 nan 0.000 0.429 385 M N 0.855 120.495 119.600 0.068 0.000 2.175 385 M HA 0.174 4.657 4.480 0.005 0.000 0.264 385 M C 1.950 178.266 176.300 0.026 0.000 1.063 385 M CA 1.551 56.863 55.300 0.021 0.000 1.119 385 M CB -0.910 31.709 32.600 0.031 0.000 1.377 385 M HN 0.214 nan 8.290 nan 0.000 0.415 386 G N 0.059 108.905 108.800 0.076 0.000 2.418 386 G HA2 -0.196 3.767 3.960 0.005 0.000 0.217 386 G HA3 -0.196 3.767 3.960 0.005 0.000 0.217 386 G C 1.661 176.611 174.900 0.084 0.000 1.158 386 G CA 0.572 45.724 45.100 0.087 0.000 0.771 386 G HN 0.351 nan 8.290 nan 0.000 0.545 387 R N -0.323 120.249 120.500 0.120 0.000 2.092 387 R HA 0.065 4.408 4.340 0.005 0.000 0.231 387 R C 2.453 178.807 176.300 0.090 0.000 1.119 387 R CA 0.656 56.858 56.100 0.169 0.000 0.970 387 R CB -1.099 29.367 30.300 0.277 0.000 0.864 387 R HN 0.442 nan 8.270 nan 0.000 0.440 388 L N 1.039 122.196 121.223 -0.109 0.000 2.005 388 L HA -0.063 4.280 4.340 0.005 0.000 0.207 388 L C 2.162 178.901 176.870 -0.219 0.000 1.072 388 L CA 1.542 56.132 54.840 -0.418 0.000 0.744 388 L CB -0.506 41.242 42.059 -0.517 0.000 0.895 388 L HN 0.028 nan 8.230 nan 0.000 0.433 389 I N -0.835 119.665 120.570 -0.117 0.000 2.163 389 I HA -0.352 3.821 4.170 0.005 0.000 0.243 389 I C 2.383 178.442 176.117 -0.097 0.000 1.085 389 I CA 1.592 62.840 61.300 -0.085 0.000 1.347 389 I CB -0.354 37.630 38.000 -0.027 0.000 1.044 389 I HN 0.281 nan 8.210 nan 0.000 0.408 390 L N 0.263 121.460 121.223 -0.043 0.000 2.141 390 L HA -0.156 4.188 4.340 0.005 0.000 0.209 390 L C 2.826 179.650 176.870 -0.077 0.000 1.094 390 L CA 1.032 55.861 54.840 -0.020 0.000 0.763 390 L CB -0.734 41.360 42.059 0.058 0.000 0.908 390 L HN 0.239 nan 8.230 nan 0.000 0.437 391 A N 0.317 123.067 122.820 -0.116 0.000 1.902 391 A HA -0.166 4.157 4.320 0.005 0.000 0.217 391 A C 2.563 179.782 177.584 -0.608 0.000 1.181 391 A CA 1.728 53.639 52.037 -0.210 0.000 0.623 391 A CB -0.615 18.366 19.000 -0.033 0.000 0.818 391 A HN 0.388 nan 8.150 nan 0.000 0.443 392 A N -0.696 121.644 122.820 -0.801 0.000 1.902 392 A HA -0.207 4.116 4.320 0.005 0.000 0.217 392 A C 2.132 179.520 177.584 -0.326 0.000 1.181 392 A CA 1.637 53.180 52.037 -0.824 0.000 0.623 392 A CB -0.560 18.199 19.000 -0.402 0.000 0.818 392 A HN 0.658 nan 8.150 nan 0.000 0.443 393 Q N -0.993 118.695 119.800 -0.187 0.000 2.079 393 Q HA -0.092 4.252 4.340 0.005 0.000 0.200 393 Q C 2.211 178.179 176.000 -0.054 0.000 0.974 393 Q CA 1.558 57.321 55.803 -0.067 0.000 0.840 393 Q CB -0.270 28.460 28.738 -0.014 0.000 0.898 393 Q HN 0.705 nan 8.270 nan 0.000 0.430 394 M N 0.342 119.896 119.600 -0.078 0.000 2.132 394 M HA -0.176 4.307 4.480 0.005 0.000 0.263 394 M C 1.701 177.971 176.300 -0.050 0.000 1.065 394 M CA 1.472 56.744 55.300 -0.047 0.000 1.122 394 M CB -0.286 32.305 32.600 -0.015 0.000 1.365 394 M HN 0.164 nan 8.290 nan 0.000 0.411 395 D N 0.294 120.645 120.400 -0.083 0.000 2.117 395 D HA -0.203 4.440 4.640 0.005 0.000 0.197 395 D C 1.995 178.283 176.300 -0.019 0.000 0.987 395 D CA 1.315 55.300 54.000 -0.024 0.000 0.829 395 D CB 0.073 40.885 40.800 0.018 0.000 0.961 395 D HN 0.014 nan 8.370 nan 0.000 0.460 396 R N -0.432 120.042 120.500 -0.043 0.000 2.115 396 R HA -0.027 4.316 4.340 0.005 0.000 0.230 396 R C 2.017 178.333 176.300 0.027 0.000 1.111 396 R CA 2.108 58.179 56.100 -0.048 0.000 0.976 396 R CB -0.837 29.403 30.300 -0.099 0.000 0.870 396 R HN 0.362 nan 8.270 nan 0.000 0.445 397 T N -4.434 110.134 114.554 0.023 0.000 3.044 397 T HA 0.248 4.601 4.350 0.005 0.000 0.250 397 T C 1.252 175.824 174.700 -0.213 0.000 1.081 397 T CA 0.298 62.385 62.100 -0.022 0.000 1.040 397 T CB 0.328 69.207 68.868 0.019 0.000 0.962 397 T HN 0.341 nan 8.240 nan 0.000 0.506 398 G N 1.511 110.240 108.800 -0.119 0.000 2.147 398 G HA2 -0.027 3.936 3.960 0.005 0.000 0.244 398 G HA3 -0.027 3.936 3.960 0.005 0.000 0.244 398 G C 0.282 175.104 174.900 -0.130 0.000 1.005 398 G CA -0.041 44.989 45.100 -0.116 0.000 0.713 398 G HN 1.169 nan 8.290 nan 0.000 0.515 399 A N -0.404 122.344 122.820 -0.120 0.000 2.386 399 A HA 0.583 4.906 4.320 0.005 0.000 0.248 399 A C 1.202 178.808 177.584 0.036 0.000 1.082 399 A CA 0.633 52.624 52.037 -0.075 0.000 0.789 399 A CB 0.418 19.367 19.000 -0.085 0.000 1.025 399 A HN 0.193 nan 8.150 nan 0.000 0.490 400 D N -0.332 120.150 120.400 0.137 0.000 2.240 400 D HA 0.158 4.801 4.640 0.005 0.000 0.206 400 D C 0.131 176.664 176.300 0.388 0.000 0.963 400 D CA 1.483 55.648 54.000 0.275 0.000 0.863 400 D CB 0.053 41.108 40.800 0.424 0.000 0.973 400 D HN 0.550 nan 8.370 nan 0.000 0.501 401 F N -0.587 119.432 119.950 0.114 0.000 2.745 401 F HA 0.746 5.276 4.527 0.005 0.000 0.316 401 F C -1.557 174.324 175.800 0.136 0.000 1.155 401 F CA -1.742 56.333 58.000 0.125 0.000 0.937 401 F CB 1.230 40.309 39.000 0.132 0.000 1.361 401 F HN -0.141 nan 8.300 nan 0.000 0.472 402 A N 0.512 123.416 122.820 0.141 0.000 2.610 402 A HA 0.853 5.176 4.320 0.005 0.000 0.291 402 A C -2.156 175.535 177.584 0.177 0.000 1.086 402 A CA -0.397 51.641 52.037 0.003 0.000 0.677 402 A CB 1.509 20.524 19.000 0.026 0.000 1.278 402 A HN 2.016 nan 8.150 nan 0.000 0.414 403 V N 1.349 121.334 119.914 0.118 0.000 3.178 403 V HA 0.896 5.019 4.120 0.005 0.000 0.302 403 V C -1.219 174.919 176.094 0.074 0.000 1.262 403 V CA -0.026 62.343 62.300 0.114 0.000 1.030 403 V CB 2.213 34.161 31.823 0.209 0.000 1.074 403 V HN 1.770 nan 8.190 nan 0.000 0.438 404 M N 2.424 122.035 119.600 0.018 0.000 2.773 404 M HA 0.682 5.165 4.480 0.005 0.000 0.270 404 M C -1.242 175.048 176.300 -0.016 0.000 1.238 404 M CA -0.568 54.733 55.300 0.002 0.000 0.832 404 M CB 1.973 34.589 32.600 0.027 0.000 1.672 404 M HN 0.379 nan 8.290 nan 0.000 0.480 405 S N 0.717 116.399 115.700 -0.031 0.000 2.565 405 S HA 0.413 4.886 4.470 0.005 0.000 0.274 405 S C 1.148 175.789 174.600 0.070 0.000 1.309 405 S CA -0.067 58.156 58.200 0.039 0.000 1.043 405 S CB 1.333 64.565 63.200 0.053 0.000 0.939 405 S HN 0.915 nan 8.310 nan 0.000 0.504 406 G N 2.215 111.089 108.800 0.122 0.000 2.432 406 G HA2 -0.099 3.864 3.960 0.005 0.000 0.219 406 G HA3 -0.099 3.864 3.960 0.005 0.000 0.219 406 G C 1.320 176.288 174.900 0.112 0.000 1.135 406 G CA 0.576 45.771 45.100 0.158 0.000 0.767 406 G HN 0.800 nan 8.290 nan 0.000 0.550 407 G N 0.371 109.228 108.800 0.096 0.000 2.559 407 G HA2 0.168 4.131 3.960 0.005 0.000 0.216 407 G HA3 0.168 4.131 3.960 0.005 0.000 0.216 407 G C 1.462 176.390 174.900 0.046 0.000 1.126 407 G CA 1.019 46.159 45.100 0.066 0.000 0.778 407 G HN 0.548 nan 8.290 nan 0.000 0.543 408 G N -0.002 108.818 108.800 0.033 0.000 2.880 408 G HA2 0.241 4.204 3.960 0.005 0.000 0.209 408 G HA3 0.241 4.204 3.960 0.005 0.000 0.209 408 G C 0.512 175.441 174.900 0.048 0.000 1.157 408 G CA -0.335 44.784 45.100 0.031 0.000 0.779 408 G HN 0.396 nan 8.290 nan 0.000 0.539 409 I N 1.225 121.824 120.570 0.048 0.000 2.304 409 I HA 0.326 4.499 4.170 0.005 0.000 0.291 409 I C 0.641 176.772 176.117 0.024 0.000 1.018 409 I CA -0.750 60.568 61.300 0.031 0.000 1.260 409 I CB 1.701 39.731 38.000 0.050 0.000 1.390 409 I HN -0.079 nan 8.210 nan 0.000 0.475 410 R N 3.173 123.660 120.500 -0.023 0.000 2.397 410 R HA 0.357 4.700 4.340 0.005 0.000 0.241 410 R C -0.620 175.660 176.300 -0.033 0.000 0.914 410 R CA -0.137 55.940 56.100 -0.038 0.000 1.071 410 R CB -0.168 30.038 30.300 -0.156 0.000 1.116 410 R HN 0.626 nan 8.270 nan 0.000 0.524 411 D N -1.530 118.857 120.400 -0.021 0.000 2.694 411 D HA 0.252 4.895 4.640 0.005 0.000 0.260 411 D C -1.054 175.245 176.300 -0.000 0.000 1.250 411 D CA -0.219 53.773 54.000 -0.012 0.000 0.763 411 D CB 1.460 42.243 40.800 -0.029 0.000 1.311 411 D HN -0.225 nan 8.370 nan 0.000 0.420 412 S N -0.129 115.574 115.700 0.005 0.000 2.730 412 S HA 0.731 5.205 4.470 0.005 0.000 0.284 412 S C -0.392 174.211 174.600 0.005 0.000 1.153 412 S CA -0.573 57.633 58.200 0.010 0.000 0.995 412 S CB 0.679 63.888 63.200 0.015 0.000 1.058 412 S HN 0.319 nan 8.310 nan 0.000 0.552 413 I N 1.629 122.204 120.570 0.008 0.000 2.499 413 I HA 0.283 4.456 4.170 0.005 0.000 0.288 413 I C -0.349 175.774 176.117 0.011 0.000 1.048 413 I CA -0.667 60.637 61.300 0.006 0.000 1.062 413 I CB 1.755 39.756 38.000 0.002 0.000 1.238 413 I HN 0.447 nan 8.210 nan 0.000 0.426 414 E N 3.742 123.948 120.200 0.010 0.000 2.392 414 E HA 0.294 4.647 4.350 0.005 0.000 0.259 414 E C 0.083 176.691 176.600 0.014 0.000 1.108 414 E CA -0.293 56.114 56.400 0.012 0.000 0.916 414 E CB 0.945 30.650 29.700 0.009 0.000 0.989 414 E HN 0.642 nan 8.360 nan 0.000 0.432 415 A N 0.925 123.755 122.820 0.016 0.000 2.540 415 A HA 0.453 4.776 4.320 0.005 0.000 0.239 415 A C 0.828 178.420 177.584 0.014 0.000 1.061 415 A CA 1.011 53.059 52.037 0.018 0.000 0.758 415 A CB -0.253 18.759 19.000 0.019 0.000 0.991 415 A HN 0.686 nan 8.150 nan 0.000 0.502 416 G N 1.808 110.616 108.800 0.013 0.000 2.280 416 G HA2 0.165 4.128 3.960 0.005 0.000 0.277 416 G HA3 0.165 4.128 3.960 0.005 0.000 0.277 416 G C -1.229 173.675 174.900 0.007 0.000 1.288 416 G CA -0.300 44.805 45.100 0.009 0.000 1.075 416 G HN 0.764 nan 8.290 nan 0.000 0.480 417 D N 0.432 120.835 120.400 0.005 0.000 2.372 417 D HA 0.562 5.205 4.640 0.005 0.000 0.243 417 D C 0.382 176.684 176.300 0.003 0.000 1.121 417 D CA 0.525 54.526 54.000 0.003 0.000 0.898 417 D CB 1.154 41.956 40.800 0.003 0.000 1.202 417 D HN 0.496 nan 8.370 nan 0.000 0.428 418 I N 0.955 121.525 120.570 0.001 0.000 2.465 418 I HA 0.191 4.364 4.170 0.005 0.000 0.291 418 I C 0.334 176.455 176.117 0.007 0.000 1.014 418 I CA -0.618 60.683 61.300 0.002 0.000 1.093 418 I CB 1.759 39.754 38.000 -0.007 0.000 1.267 418 I HN 0.273 nan 8.210 nan 0.000 0.431 419 S N 4.431 120.145 115.700 0.024 0.000 2.704 419 S HA 0.364 4.837 4.470 0.005 0.000 0.305 419 S C 0.615 175.276 174.600 0.102 0.000 1.107 419 S CA -0.529 57.701 58.200 0.050 0.000 0.993 419 S CB 1.492 64.722 63.200 0.049 0.000 1.110 419 S HN 0.579 nan 8.310 nan 0.000 0.534 420 Y N 1.393 121.684 120.300 -0.016 0.000 2.224 420 Y HA -0.029 4.524 4.550 0.005 0.000 0.289 420 Y C 2.422 178.305 175.900 -0.029 0.000 1.146 420 Y CA 1.685 59.774 58.100 -0.018 0.000 1.182 420 Y CB -0.539 37.912 38.460 -0.016 0.000 0.983 420 Y HN 0.909 nan 8.280 nan 0.000 0.524 421 K N 0.015 120.503 120.400 0.147 0.000 2.063 421 K HA -0.228 4.096 4.320 0.005 0.000 0.208 421 K C 1.733 178.355 176.600 0.037 0.000 1.048 421 K CA 1.780 58.087 56.287 0.033 0.000 0.928 421 K CB -0.144 32.358 32.500 0.003 0.000 0.713 421 K HN 0.285 nan 8.250 nan 0.000 0.442 422 N N 0.602 119.331 118.700 0.049 0.000 2.120 422 N HA -0.142 4.601 4.740 0.005 0.000 0.188 422 N C 1.898 177.428 175.510 0.033 0.000 1.024 422 N CA 1.290 54.356 53.050 0.027 0.000 0.852 422 N CB -0.437 38.063 38.487 0.021 0.000 1.003 422 N HN 0.029 nan 8.380 nan 0.000 0.424 423 V N 1.827 121.788 119.914 0.077 0.000 2.295 423 V HA -0.168 3.955 4.120 0.005 0.000 0.246 423 V C 2.378 178.517 176.094 0.074 0.000 1.049 423 V CA 1.191 63.540 62.300 0.082 0.000 1.024 423 V CB -0.544 31.343 31.823 0.107 0.000 0.648 423 V HN 0.223 nan 8.190 nan 0.000 0.447 424 L N -0.258 121.022 121.223 0.095 0.000 2.191 424 L HA -0.197 4.146 4.340 0.005 0.000 0.212 424 L C 2.510 179.332 176.870 -0.080 0.000 1.103 424 L CA 1.599 56.436 54.840 -0.005 0.000 0.769 424 L CB -0.518 41.498 42.059 -0.072 0.000 0.908 424 L HN 0.312 nan 8.230 nan 0.000 0.438 425 K N -0.192 120.169 120.400 -0.065 0.000 2.167 425 K HA -0.081 4.242 4.320 0.005 0.000 0.203 425 K C 1.926 178.457 176.600 -0.115 0.000 1.052 425 K CA 0.746 56.975 56.287 -0.097 0.000 0.956 425 K CB 0.258 32.723 32.500 -0.059 0.000 0.735 425 K HN 0.108 nan 8.250 nan 0.000 0.451 426 V N 0.988 120.858 119.914 -0.074 0.000 2.453 426 V HA -0.108 4.015 4.120 0.005 0.000 0.247 426 V C 0.801 176.834 176.094 -0.102 0.000 1.048 426 V CA 1.241 63.501 62.300 -0.067 0.000 1.049 426 V CB -0.008 31.798 31.823 -0.028 0.000 0.672 426 V HN 0.310 nan 8.190 nan 0.000 0.457 427 Q N 0.274 120.012 119.800 -0.103 0.000 2.907 427 Q HA 0.264 4.607 4.340 0.005 0.000 0.262 427 Q C -2.080 173.814 176.000 -0.176 0.000 0.997 427 Q CA -1.277 54.459 55.803 -0.112 0.000 0.797 427 Q CB 1.538 30.267 28.738 -0.015 0.000 1.228 427 Q HN 0.386 nan 8.270 nan 0.000 0.466 428 P HA 0.078 nan 4.420 nan 0.000 0.257 428 P C 0.430 177.539 177.300 -0.317 0.000 1.241 428 P CA 0.275 63.116 63.100 -0.431 0.000 0.816 428 P CB 0.271 31.596 31.700 -0.626 0.000 1.150 429 F N 0.435 120.385 119.950 0.001 0.000 2.727 429 F HA 0.418 4.948 4.527 0.005 0.000 0.302 429 F C 1.773 177.601 175.800 0.047 0.000 1.097 429 F CA -0.080 57.927 58.000 0.011 0.000 1.330 429 F CB -1.086 37.897 39.000 -0.029 0.000 1.084 429 F HN 0.007 nan 8.300 nan 0.000 0.578 430 G N 1.307 110.218 108.800 0.185 0.000 2.249 430 G HA2 -0.348 3.615 3.960 0.005 0.000 0.273 430 G HA3 -0.348 3.615 3.960 0.005 0.000 0.273 430 G C 0.152 175.174 174.900 0.202 0.000 1.036 430 G CA 0.092 45.295 45.100 0.171 0.000 0.824 430 G HN 0.467 nan 8.290 nan 0.000 0.504 431 N N -1.223 117.593 118.700 0.194 0.000 2.453 431 N HA 0.393 5.137 4.740 0.005 0.000 0.253 431 N C 0.319 175.937 175.510 0.179 0.000 1.252 431 N CA -0.175 52.989 53.050 0.191 0.000 0.917 431 N CB 1.021 39.615 38.487 0.177 0.000 1.117 431 N HN 0.089 nan 8.380 nan 0.000 0.442 432 V N 1.871 121.892 119.914 0.179 0.000 2.472 432 V HA 0.221 4.344 4.120 0.005 0.000 0.290 432 V C 0.206 176.395 176.094 0.158 0.000 1.037 432 V CA -0.834 61.565 62.300 0.165 0.000 0.908 432 V CB 1.712 33.620 31.823 0.141 0.000 0.985 432 V HN 0.323 nan 8.190 nan 0.000 0.454 433 V N 5.673 125.694 119.914 0.178 0.000 2.555 433 V HA 0.446 4.569 4.120 0.005 0.000 0.286 433 V C 0.212 176.391 176.094 0.141 0.000 1.044 433 V CA 0.122 62.526 62.300 0.173 0.000 1.026 433 V CB 1.249 33.200 31.823 0.214 0.000 0.981 433 V HN 0.799 nan 8.190 nan 0.000 0.480 434 V N 3.401 123.374 119.914 0.099 0.000 3.160 434 V HA 0.906 5.029 4.120 0.005 0.000 0.310 434 V C -1.211 174.909 176.094 0.044 0.000 1.181 434 V CA -0.894 61.379 62.300 -0.044 0.000 1.047 434 V CB 2.168 33.933 31.823 -0.096 0.000 1.068 434 V HN 0.902 nan 8.190 nan 0.000 0.441 435 Y N -0.512 119.699 120.300 -0.148 0.000 2.625 435 Y HA 1.001 5.554 4.550 0.005 0.000 0.338 435 Y C -0.653 175.197 175.900 -0.084 0.000 1.123 435 Y CA -1.025 57.020 58.100 -0.091 0.000 1.046 435 Y CB 1.351 39.776 38.460 -0.060 0.000 1.299 435 Y HN 1.322 nan 8.280 nan 0.000 0.464 436 A N 1.563 124.534 122.820 0.252 0.000 2.422 436 A HA 0.591 4.914 4.320 0.005 0.000 0.302 436 A C -1.846 175.867 177.584 0.215 0.000 1.041 436 A CA -0.790 51.373 52.037 0.209 0.000 0.708 436 A CB 1.119 20.212 19.000 0.155 0.000 1.257 436 A HN 0.710 nan 8.150 nan 0.000 0.414 437 D N 2.965 123.497 120.400 0.221 0.000 2.249 437 D HA 0.588 5.232 4.640 0.005 0.000 0.246 437 D C 0.088 176.483 176.300 0.159 0.000 1.114 437 D CA 0.373 54.480 54.000 0.180 0.000 0.854 437 D CB 1.306 42.201 40.800 0.158 0.000 1.132 437 D HN 0.678 nan 8.370 nan 0.000 0.461 438 M N -0.828 118.888 119.600 0.192 0.000 2.618 438 M HA 0.463 4.946 4.480 0.005 0.000 0.281 438 M C -0.152 176.285 176.300 0.228 0.000 1.267 438 M CA -0.981 54.431 55.300 0.187 0.000 0.845 438 M CB 1.839 34.545 32.600 0.177 0.000 1.732 438 M HN 0.140 nan 8.290 nan 0.000 0.461 439 T N -1.191 113.472 114.554 0.181 0.000 2.868 439 T HA 0.391 4.744 4.350 0.005 0.000 0.292 439 T C 1.214 176.063 174.700 0.248 0.000 1.028 439 T CA 0.004 62.215 62.100 0.184 0.000 1.059 439 T CB 1.020 69.959 68.868 0.118 0.000 0.991 439 T HN 0.883 nan 8.240 nan 0.000 0.531 440 G N 1.078 110.054 108.800 0.293 0.000 2.469 440 G HA2 -0.278 3.685 3.960 0.005 0.000 0.219 440 G HA3 -0.278 3.685 3.960 0.005 0.000 0.219 440 G C 1.457 176.411 174.900 0.090 0.000 1.150 440 G CA 1.140 46.389 45.100 0.247 0.000 0.763 440 G HN 0.802 nan 8.290 nan 0.000 0.561 441 K N 1.007 121.460 120.400 0.090 0.000 2.063 441 K HA -0.069 4.254 4.320 0.005 0.000 0.208 441 K C 2.315 178.956 176.600 0.068 0.000 1.048 441 K CA 1.800 58.121 56.287 0.056 0.000 0.928 441 K CB -0.445 32.086 32.500 0.052 0.000 0.713 441 K HN 0.460 nan 8.250 nan 0.000 0.442 442 E N -0.395 119.866 120.200 0.102 0.000 2.110 442 E HA -0.130 4.223 4.350 0.005 0.000 0.193 442 E C 1.917 178.621 176.600 0.174 0.000 0.988 442 E CA 1.219 57.698 56.400 0.131 0.000 0.804 442 E CB -0.000 29.782 29.700 0.137 0.000 0.745 442 E HN 0.071 nan 8.360 nan 0.000 0.458 443 V N 1.457 121.457 119.914 0.144 0.000 2.295 443 V HA -0.269 3.854 4.120 0.005 0.000 0.246 443 V C 2.215 178.355 176.094 0.076 0.000 1.049 443 V CA 1.542 63.921 62.300 0.132 0.000 1.024 443 V CB -0.368 31.376 31.823 -0.132 0.000 0.648 443 V HN 0.270 nan 8.190 nan 0.000 0.447 444 I N 0.147 120.713 120.570 -0.006 0.000 2.127 444 I HA -0.259 3.914 4.170 0.005 0.000 0.241 444 I C 2.310 178.422 176.117 -0.009 0.000 1.075 444 I CA 1.826 63.099 61.300 -0.045 0.000 1.334 444 I CB -0.561 37.408 38.000 -0.052 0.000 1.040 444 I HN 0.321 nan 8.210 nan 0.000 0.405 445 D N -0.097 120.325 120.400 0.038 0.000 2.117 445 D HA -0.225 4.419 4.640 0.005 0.000 0.197 445 D C 1.912 178.241 176.300 0.048 0.000 0.987 445 D CA 1.332 55.352 54.000 0.033 0.000 0.829 445 D CB -0.400 40.433 40.800 0.055 0.000 0.961 445 D HN 0.357 nan 8.370 nan 0.000 0.460 446 Y N 1.246 121.570 120.300 0.041 0.000 2.114 446 Y HA -0.133 4.421 4.550 0.005 0.000 0.284 446 Y C 2.234 178.186 175.900 0.087 0.000 1.143 446 Y CA 1.381 59.530 58.100 0.082 0.000 1.135 446 Y CB -0.404 38.153 38.460 0.160 0.000 0.980 446 Y HN -0.107 nan 8.280 nan 0.000 0.499 447 L N -0.945 120.379 121.223 0.168 0.000 2.083 447 L HA -0.233 4.110 4.340 0.005 0.000 0.209 447 L C 2.302 179.108 176.870 -0.106 0.000 1.083 447 L CA 1.758 56.664 54.840 0.109 0.000 0.752 447 L CB -0.861 41.263 42.059 0.109 0.000 0.899 447 L HN 0.231 nan 8.230 nan 0.000 0.433 448 T N -0.134 114.326 114.554 -0.157 0.000 2.746 448 T HA -0.176 4.177 4.350 0.005 0.000 0.267 448 T C 2.014 176.618 174.700 -0.160 0.000 1.039 448 T CA 1.332 63.313 62.100 -0.199 0.000 1.142 448 T CB -0.206 68.569 68.868 -0.156 0.000 0.866 448 T HN 0.456 nan 8.240 nan 0.000 0.444 449 A N 0.935 123.647 122.820 -0.180 0.000 1.877 449 A HA -0.036 4.287 4.320 0.005 0.000 0.216 449 A C 2.586 180.012 177.584 -0.262 0.000 1.186 449 A CA 1.319 53.231 52.037 -0.207 0.000 0.620 449 A CB -1.028 17.830 19.000 -0.238 0.000 0.822 449 A HN 0.344 nan 8.150 nan 0.000 0.443 450 V N -0.041 119.655 119.914 -0.364 0.000 2.407 450 V HA -0.231 3.892 4.120 0.005 0.000 0.248 450 V C 2.952 178.999 176.094 -0.078 0.000 1.055 450 V CA 1.771 63.822 62.300 -0.416 0.000 1.049 450 V CB -1.105 30.467 31.823 -0.417 0.000 0.662 450 V HN 0.606 nan 8.190 nan 0.000 0.455 451 A N -0.801 122.095 122.820 0.127 0.000 2.178 451 A HA -0.185 4.138 4.320 0.005 0.000 0.218 451 A C 2.026 179.801 177.584 0.320 0.000 1.157 451 A CA 1.088 53.364 52.037 0.399 0.000 0.689 451 A CB -0.293 18.759 19.000 0.086 0.000 0.787 451 A HN 0.548 nan 8.150 nan 0.000 0.465 452 Q N -0.596 119.249 119.800 0.075 0.000 2.451 452 Q HA 0.103 4.447 4.340 0.005 0.000 0.206 452 Q C 0.144 176.140 176.000 -0.007 0.000 0.947 452 Q CA 0.321 56.147 55.803 0.037 0.000 0.937 452 Q CB -0.263 28.458 28.738 -0.028 0.000 1.025 452 Q HN 0.525 nan 8.270 nan 0.000 0.511 453 M N 1.716 121.290 119.600 -0.043 0.000 2.184 453 M HA 0.132 4.615 4.480 0.005 0.000 0.351 453 M C 0.147 176.420 176.300 -0.045 0.000 1.395 453 M CA 0.195 55.459 55.300 -0.059 0.000 1.117 453 M CB 0.077 32.617 32.600 -0.100 0.000 1.708 453 M HN -0.151 nan 8.290 nan 0.000 0.468 454 K N 3.874 124.247 120.400 -0.045 0.000 2.237 454 K HA 0.355 4.678 4.320 0.005 0.000 0.270 454 K C -2.318 174.226 176.600 -0.093 0.000 1.015 454 K CA -1.443 54.792 56.287 -0.087 0.000 0.949 454 K CB -0.058 32.391 32.500 -0.084 0.000 0.976 454 K HN 0.320 nan 8.250 nan 0.000 0.472 455 P HA -0.066 nan 4.420 nan 0.000 0.271 455 P C -0.558 176.339 177.300 -0.672 0.000 1.233 455 P CA 0.362 63.109 63.100 -0.588 0.000 0.789 455 P CB 0.323 31.668 31.700 -0.592 0.000 0.951 456 D N -0.969 118.684 120.400 -1.244 0.000 2.907 456 D HA -0.127 4.516 4.640 0.005 0.000 0.226 456 D C -0.956 175.102 176.300 -0.403 0.000 1.141 456 D CA 1.353 54.721 54.000 -1.053 0.000 0.779 456 D CB -1.587 38.837 40.800 -0.628 0.000 1.095 456 D HN 0.396 nan 8.370 nan 0.000 0.430 457 S N -3.346 112.185 115.700 -0.282 0.000 2.579 457 S HA 0.711 5.184 4.470 0.005 0.000 0.272 457 S C 1.341 175.935 174.600 -0.010 0.000 1.141 457 S CA -0.316 57.831 58.200 -0.089 0.000 0.843 457 S CB 1.606 64.784 63.200 -0.037 0.000 1.122 457 S HN 0.162 nan 8.310 nan 0.000 0.468 458 G N 0.257 109.080 108.800 0.038 0.000 2.484 458 G HA2 0.208 4.171 3.960 0.005 0.000 0.218 458 G HA3 0.208 4.171 3.960 0.005 0.000 0.218 458 G C 1.195 176.176 174.900 0.135 0.000 1.130 458 G CA 0.578 45.725 45.100 0.078 0.000 0.784 458 G HN 1.233 nan 8.290 nan 0.000 0.543 459 A N -0.376 122.536 122.820 0.154 0.000 2.167 459 A HA 0.238 4.562 4.320 0.005 0.000 0.214 459 A C 0.943 178.660 177.584 0.222 0.000 1.151 459 A CA -0.390 51.796 52.037 0.248 0.000 0.735 459 A CB -0.450 18.686 19.000 0.228 0.000 0.802 459 A HN 0.404 nan 8.150 nan 0.000 0.467 460 Y N 2.722 123.034 120.300 0.019 0.000 2.805 460 Y HA 0.186 4.739 4.550 0.005 0.000 0.331 460 Y C -2.256 173.664 175.900 0.032 0.000 1.241 460 Y CA -2.045 56.029 58.100 -0.044 0.000 1.546 460 Y CB 0.404 38.776 38.460 -0.147 0.000 1.248 460 Y HN 0.155 nan 8.280 nan 0.000 0.559 461 P HA 0.057 nan 4.420 nan 0.000 0.285 461 P C -1.337 175.572 177.300 -0.651 0.000 1.259 461 P CA -0.316 62.444 63.100 -0.567 0.000 0.794 461 P CB 1.386 32.658 31.700 -0.713 0.000 0.940 462 Q N 2.727 122.334 119.800 -0.322 0.000 2.290 462 Q HA 0.434 4.777 4.340 0.005 0.000 0.259 462 Q C -0.518 175.393 176.000 -0.148 0.000 0.941 462 Q CA -0.257 55.500 55.803 -0.077 0.000 0.912 462 Q CB 0.882 29.653 28.738 0.056 0.000 1.244 462 Q HN 0.430 nan 8.270 nan 0.000 0.441 463 F N 0.345 120.394 119.950 0.165 0.000 2.575 463 F HA 0.795 5.326 4.527 0.005 0.000 0.330 463 F C 0.129 176.023 175.800 0.156 0.000 1.056 463 F CA -1.104 57.009 58.000 0.188 0.000 0.964 463 F CB 1.657 40.768 39.000 0.184 0.000 1.258 463 F HN 0.452 nan 8.300 nan 0.000 0.484 464 A N 1.192 124.251 122.820 0.399 0.000 2.455 464 A HA 0.621 4.944 4.320 0.005 0.000 0.300 464 A C -0.402 177.346 177.584 0.273 0.000 1.040 464 A CA -0.780 51.417 52.037 0.267 0.000 0.697 464 A CB 0.822 19.942 19.000 0.200 0.000 1.265 464 A HN 0.820 nan 8.150 nan 0.000 0.407 465 N N -0.839 117.970 118.700 0.181 0.000 2.741 465 N HA -0.143 4.600 4.740 0.005 0.000 0.251 465 N C -0.492 175.067 175.510 0.081 0.000 1.112 465 N CA 1.446 54.579 53.050 0.139 0.000 0.750 465 N CB -1.360 37.240 38.487 0.188 0.000 1.119 465 N HN 0.656 nan 8.380 nan 0.000 0.561 466 V N 0.351 120.291 119.914 0.043 0.000 2.495 466 V HA 0.747 4.870 4.120 0.005 0.000 0.298 466 V C 0.193 176.127 176.094 -0.266 0.000 1.031 466 V CA -0.477 61.761 62.300 -0.103 0.000 0.871 466 V CB 2.125 33.895 31.823 -0.087 0.000 0.988 466 V HN 0.346 nan 8.190 nan 0.000 0.432 467 S N 4.494 120.031 115.700 -0.272 0.000 2.541 467 S HA 0.987 5.460 4.470 0.005 0.000 0.280 467 S C -1.002 173.425 174.600 -0.288 0.000 1.112 467 S CA -0.658 57.319 58.200 -0.372 0.000 0.925 467 S CB 2.362 65.436 63.200 -0.210 0.000 1.067 467 S HN 1.270 nan 8.310 nan 0.000 0.479 468 F N -1.515 118.251 119.950 -0.307 0.000 2.944 468 F HA 0.726 5.257 4.527 0.005 0.000 0.324 468 F C -2.403 173.197 175.800 -0.332 0.000 1.151 468 F CA -1.354 56.461 58.000 -0.309 0.000 0.883 468 F CB 0.445 39.227 39.000 -0.363 0.000 1.341 468 F HN 0.470 nan 8.300 nan 0.000 0.456 469 V N 1.722 121.711 119.914 0.126 0.000 2.483 469 V HA 0.815 4.938 4.120 0.005 0.000 0.297 469 V C -0.177 175.926 176.094 0.014 0.000 1.027 469 V CA -0.525 61.789 62.300 0.022 0.000 0.855 469 V CB 1.187 32.999 31.823 -0.019 0.000 0.995 469 V HN 1.210 nan 8.190 nan 0.000 0.424 470 A N 4.519 127.300 122.820 -0.064 0.000 2.289 470 A HA 0.848 5.172 4.320 0.005 0.000 0.298 470 A C -0.319 177.253 177.584 -0.020 0.000 1.208 470 A CA -0.418 51.523 52.037 -0.159 0.000 0.845 470 A CB 0.796 19.619 19.000 -0.294 0.000 1.125 470 A HN 0.694 nan 8.150 nan 0.000 0.517 471 K N 2.233 122.618 120.400 -0.025 0.000 2.565 471 K HA 0.383 4.706 4.320 0.005 0.000 0.249 471 K C -1.114 175.490 176.600 0.006 0.000 0.958 471 K CA -0.271 56.024 56.287 0.014 0.000 0.806 471 K CB 0.845 33.347 32.500 0.003 0.000 1.194 471 K HN 0.653 nan 8.250 nan 0.000 0.434 472 D N 3.952 124.369 120.400 0.029 0.000 2.735 472 D HA -0.201 4.442 4.640 0.005 0.000 0.235 472 D C 0.645 176.947 176.300 0.002 0.000 1.175 472 D CA 1.840 55.851 54.000 0.019 0.000 0.683 472 D CB -0.974 39.831 40.800 0.008 0.000 1.008 472 D HN 1.060 nan 8.370 nan 0.000 0.416 473 G N 0.037 108.843 108.800 0.011 0.000 2.196 473 G HA2 -0.397 3.566 3.960 0.005 0.000 0.268 473 G HA3 -0.397 3.566 3.960 0.005 0.000 0.268 473 G C 0.408 175.272 174.900 -0.060 0.000 0.975 473 G CA 1.231 46.323 45.100 -0.013 0.000 0.648 473 G HN 0.671 nan 8.290 nan 0.000 0.538 474 K N -0.035 120.322 120.400 -0.072 0.000 2.156 474 K HA 0.733 5.056 4.320 0.005 0.000 0.250 474 K C -0.035 176.454 176.600 -0.186 0.000 0.955 474 K CA -1.030 55.190 56.287 -0.113 0.000 0.855 474 K CB 0.668 33.122 32.500 -0.077 0.000 1.101 474 K HN 0.097 nan 8.250 nan 0.000 0.434 475 L N 3.904 124.977 121.223 -0.250 0.000 2.265 475 L HA 0.341 4.685 4.340 0.005 0.000 0.289 475 L C -0.646 176.104 176.870 -0.200 0.000 1.033 475 L CA -0.732 53.889 54.840 -0.366 0.000 0.814 475 L CB 1.310 43.028 42.059 -0.568 0.000 1.203 475 L HN 0.718 nan 8.230 nan 0.000 0.423 476 N N 1.743 120.367 118.700 -0.127 0.000 2.487 476 N HA 0.184 4.927 4.740 0.005 0.000 0.292 476 N C -0.084 175.403 175.510 -0.039 0.000 1.108 476 N CA -0.642 52.366 53.050 -0.069 0.000 0.956 476 N CB 0.815 39.274 38.487 -0.047 0.000 1.176 476 N HN 0.482 nan 8.380 nan 0.000 0.484 477 D N 0.764 121.139 120.400 -0.041 0.000 2.708 477 D HA -0.185 4.458 4.640 0.005 0.000 0.236 477 D C -0.870 175.409 176.300 -0.034 0.000 1.146 477 D CA 0.230 54.209 54.000 -0.035 0.000 0.662 477 D CB -0.689 40.092 40.800 -0.031 0.000 1.059 477 D HN 0.377 nan 8.370 nan 0.000 0.428 478 L N 0.571 121.765 121.223 -0.048 0.000 2.513 478 L HA 0.203 4.546 4.340 0.005 0.000 0.272 478 L C 0.232 177.049 176.870 -0.089 0.000 1.187 478 L CA 0.830 55.635 54.840 -0.058 0.000 0.895 478 L CB 0.241 42.230 42.059 -0.116 0.000 1.147 478 L HN 0.085 nan 8.230 nan 0.000 0.483 479 K N 5.997 126.337 120.400 -0.099 0.000 2.469 479 K HA 0.594 4.917 4.320 0.005 0.000 0.254 479 K C -1.433 175.070 176.600 -0.163 0.000 0.939 479 K CA -0.885 55.333 56.287 -0.115 0.000 0.812 479 K CB 2.243 34.697 32.500 -0.076 0.000 1.301 479 K HN 0.355 nan 8.250 nan 0.000 0.433 480 I N 2.858 123.329 120.570 -0.165 0.000 2.382 480 I HA 0.186 4.359 4.170 0.005 0.000 0.286 480 I C 0.021 176.132 176.117 -0.009 0.000 1.002 480 I CA -0.566 60.636 61.300 -0.163 0.000 1.135 480 I CB 1.108 38.916 38.000 -0.320 0.000 1.288 480 I HN 0.715 nan 8.210 nan 0.000 0.448 481 K N 4.394 124.807 120.400 0.021 0.000 3.077 481 K HA -0.238 4.085 4.320 0.005 0.000 0.264 481 K C 0.987 177.601 176.600 0.025 0.000 1.008 481 K CA 0.643 56.958 56.287 0.047 0.000 0.740 481 K CB -1.495 31.056 32.500 0.084 0.000 1.273 481 K HN 1.193 nan 8.250 nan 0.000 0.477 482 G N -0.481 108.317 108.800 -0.003 0.000 2.184 482 G HA2 -0.290 3.673 3.960 0.005 0.000 0.264 482 G HA3 -0.290 3.673 3.960 0.005 0.000 0.264 482 G C -0.271 174.626 174.900 -0.005 0.000 0.975 482 G CA 0.664 45.759 45.100 -0.009 0.000 0.642 482 G HN 0.349 nan 8.290 nan 0.000 0.536 483 E N 0.948 121.150 120.200 0.003 0.000 2.222 483 E HA 0.438 4.791 4.350 0.005 0.000 0.267 483 E C -2.419 174.180 176.600 -0.003 0.000 0.884 483 E CA -2.001 54.408 56.400 0.014 0.000 0.764 483 E CB 2.399 32.128 29.700 0.049 0.000 1.169 483 E HN 0.215 nan 8.360 nan 0.000 0.413 484 P HA 0.006 nan 4.420 nan 0.000 0.269 484 P C 0.134 177.428 177.300 -0.011 0.000 1.209 484 P CA -0.222 62.863 63.100 -0.025 0.000 0.776 484 P CB 0.662 32.352 31.700 -0.016 0.000 0.876 485 V N 2.801 122.672 119.914 -0.070 0.000 2.655 485 V HA 0.012 4.136 4.120 0.005 0.000 0.300 485 V C 0.874 176.991 176.094 0.039 0.000 1.044 485 V CA 0.588 62.836 62.300 -0.087 0.000 1.095 485 V CB 0.097 31.780 31.823 -0.233 0.000 0.952 485 V HN 0.596 nan 8.190 nan 0.000 0.485 486 D N 6.068 126.579 120.400 0.185 0.000 2.392 486 D HA 0.350 4.993 4.640 0.005 0.000 0.228 486 D C -1.800 174.603 176.300 0.171 0.000 1.074 486 D CA -2.313 51.776 54.000 0.148 0.000 0.838 486 D CB 2.241 43.124 40.800 0.140 0.000 1.067 486 D HN 0.162 nan 8.370 nan 0.000 0.511 487 P HA -0.097 nan 4.420 nan 0.000 0.218 487 P C 0.688 178.046 177.300 0.096 0.000 1.146 487 P CA 1.111 64.266 63.100 0.090 0.000 0.813 487 P CB 0.314 32.043 31.700 0.049 0.000 0.778 488 A N -1.842 121.023 122.820 0.075 0.000 2.251 488 A HA 0.031 4.354 4.320 0.005 0.000 0.209 488 A C 0.942 178.545 177.584 0.032 0.000 1.187 488 A CA 0.549 52.615 52.037 0.049 0.000 0.823 488 A CB -0.521 18.496 19.000 0.029 0.000 0.846 488 A HN 0.162 nan 8.150 nan 0.000 0.486 489 K N -0.408 120.020 120.400 0.047 0.000 2.106 489 K HA 0.508 4.831 4.320 0.005 0.000 0.246 489 K C -0.759 175.780 176.600 -0.101 0.000 0.987 489 K CA -0.338 55.893 56.287 -0.092 0.000 0.904 489 K CB 1.159 33.508 32.500 -0.251 0.000 1.071 489 K HN 0.048 nan 8.250 nan 0.000 0.453 490 T N 1.505 115.916 114.554 -0.238 0.000 2.794 490 T HA 0.425 4.778 4.350 0.005 0.000 0.280 490 T C -1.186 173.341 174.700 -0.289 0.000 0.987 490 T CA -0.503 61.532 62.100 -0.108 0.000 0.993 490 T CB 0.246 69.089 68.868 -0.042 0.000 0.939 490 T HN 0.264 nan 8.240 nan 0.000 0.449 491 Y N 0.998 121.373 120.300 0.126 0.000 2.499 491 Y HA 0.595 5.148 4.550 0.005 0.000 0.347 491 Y C 0.352 176.367 175.900 0.192 0.000 0.987 491 Y CA -1.301 56.913 58.100 0.190 0.000 1.044 491 Y CB 1.687 40.324 38.460 0.296 0.000 1.245 491 Y HN 0.439 nan 8.280 nan 0.000 0.461 492 R N 3.455 124.132 120.500 0.294 0.000 2.338 492 R HA 0.613 4.956 4.340 0.005 0.000 0.317 492 R C -1.243 175.049 176.300 -0.014 0.000 0.968 492 R CA -0.492 55.676 56.100 0.114 0.000 0.849 492 R CB 0.865 31.141 30.300 -0.040 0.000 1.128 492 R HN 0.896 nan 8.270 nan 0.000 0.448 493 M N 3.870 123.356 119.600 -0.191 0.000 2.383 493 M HA 0.538 5.021 4.480 0.005 0.000 0.325 493 M C -1.323 174.832 176.300 -0.242 0.000 1.092 493 M CA -0.565 54.368 55.300 -0.612 0.000 0.961 493 M CB 1.984 33.961 32.600 -1.039 0.000 1.672 493 M HN 0.803 nan 8.290 nan 0.000 0.438 494 A N 3.097 125.794 122.820 -0.205 0.000 2.312 494 A HA 0.863 5.186 4.320 0.005 0.000 0.328 494 A C -0.405 177.166 177.584 -0.021 0.000 1.158 494 A CA -0.367 51.652 52.037 -0.029 0.000 0.821 494 A CB 1.712 20.712 19.000 0.001 0.000 1.170 494 A HN 0.889 nan 8.150 nan 0.000 0.490 495 T N 0.116 114.698 114.554 0.048 0.000 2.661 495 T HA 0.472 4.825 4.350 0.005 0.000 0.305 495 T C -1.646 173.114 174.700 0.101 0.000 1.535 495 T CA -0.478 61.663 62.100 0.069 0.000 1.000 495 T CB 0.333 69.251 68.868 0.083 0.000 1.811 495 T HN 0.469 nan 8.240 nan 0.000 0.471 496 L N 3.211 124.502 121.223 0.114 0.000 2.352 496 L HA 0.469 4.812 4.340 0.005 0.000 0.269 496 L C 1.818 178.789 176.870 0.168 0.000 1.034 496 L CA -0.475 54.453 54.840 0.148 0.000 0.806 496 L CB 1.198 43.360 42.059 0.172 0.000 1.244 496 L HN 0.952 nan 8.230 nan 0.000 0.447 497 N N 1.156 119.968 118.700 0.187 0.000 2.149 497 N HA -0.288 4.455 4.740 0.005 0.000 0.188 497 N C 1.609 177.206 175.510 0.145 0.000 1.019 497 N CA 1.458 54.623 53.050 0.192 0.000 0.857 497 N CB -0.837 37.761 38.487 0.185 0.000 0.997 497 N HN 0.596 nan 8.380 nan 0.000 0.426 498 F N 2.054 122.030 119.950 0.043 0.000 2.063 498 F HA -0.244 4.286 4.527 0.005 0.000 0.298 498 F C 1.683 177.460 175.800 -0.038 0.000 1.109 498 F CA 2.116 60.117 58.000 0.001 0.000 1.212 498 F CB -0.728 38.265 39.000 -0.012 0.000 0.973 498 F HN 0.033 nan 8.300 nan 0.000 0.480 499 N N 0.367 118.957 118.700 -0.185 0.000 2.135 499 N HA -0.057 4.686 4.740 0.005 0.000 0.186 499 N C 1.993 177.435 175.510 -0.113 0.000 1.027 499 N CA 1.395 54.246 53.050 -0.331 0.000 0.849 499 N CB -0.665 37.657 38.487 -0.276 0.000 1.002 499 N HN 0.402 nan 8.380 nan 0.000 0.425 500 A N 0.372 123.194 122.820 0.004 0.000 1.940 500 A HA -0.146 4.177 4.320 0.005 0.000 0.219 500 A C 1.983 179.511 177.584 -0.093 0.000 1.176 500 A CA 1.977 54.031 52.037 0.028 0.000 0.631 500 A CB -1.178 17.920 19.000 0.163 0.000 0.814 500 A HN 0.481 nan 8.150 nan 0.000 0.446 501 T N -4.310 110.174 114.554 -0.116 0.000 3.272 501 T HA 0.433 4.786 4.350 0.005 0.000 0.250 501 T C 1.169 175.781 174.700 -0.146 0.000 1.082 501 T CA 0.948 62.965 62.100 -0.138 0.000 0.968 501 T CB -0.010 68.798 68.868 -0.099 0.000 1.015 501 T HN 1.670 nan 8.240 nan 0.000 0.563 502 G N 0.324 109.035 108.800 -0.149 0.000 2.179 502 G HA2 -0.065 3.898 3.960 0.005 0.000 0.220 502 G HA3 -0.065 3.898 3.960 0.005 0.000 0.220 502 G C 0.463 175.212 174.900 -0.251 0.000 0.990 502 G CA -0.370 44.653 45.100 -0.129 0.000 0.646 502 G HN 1.002 nan 8.290 nan 0.000 0.517 503 G N -0.125 108.313 108.800 -0.602 0.000 2.414 503 G HA2 0.436 4.399 3.960 0.005 0.000 0.236 503 G HA3 0.436 4.399 3.960 0.005 0.000 0.236 503 G C 0.594 175.162 174.900 -0.552 0.000 1.293 503 G CA 0.976 45.386 45.100 -1.149 0.000 0.869 503 G HN 0.799 nan 8.290 nan 0.000 0.556 504 D N 0.101 120.411 120.400 -0.151 0.000 2.911 504 D HA -0.200 4.443 4.640 0.005 0.000 0.227 504 D C 1.650 178.085 176.300 0.225 0.000 1.164 504 D CA 2.540 56.636 54.000 0.161 0.000 0.782 504 D CB -1.268 39.708 40.800 0.294 0.000 1.094 504 D HN 1.730 nan 8.370 nan 0.000 0.425 505 G N -1.501 107.357 108.800 0.097 0.000 2.168 505 G HA2 -0.402 3.561 3.960 0.005 0.000 0.263 505 G HA3 -0.402 3.561 3.960 0.005 0.000 0.263 505 G C 0.274 175.223 174.900 0.082 0.000 0.977 505 G CA 0.490 45.630 45.100 0.066 0.000 0.659 505 G HN 0.432 nan 8.290 nan 0.000 0.533 506 Y N 0.777 121.023 120.300 -0.091 0.000 2.457 506 Y HA 0.405 4.959 4.550 0.005 0.000 0.341 506 Y C -1.473 174.401 175.900 -0.044 0.000 1.240 506 Y CA -1.803 56.250 58.100 -0.078 0.000 1.437 506 Y CB 0.104 38.547 38.460 -0.030 0.000 1.328 506 Y HN 0.003 nan 8.280 nan 0.000 0.588 507 P HA 0.090 nan 4.420 nan 0.000 0.267 507 P C -0.568 176.844 177.300 0.186 0.000 1.205 507 P CA 0.018 63.185 63.100 0.111 0.000 0.765 507 P CB 0.422 32.196 31.700 0.123 0.000 0.828 508 R N 2.733 123.279 120.500 0.076 0.000 2.537 508 R HA 0.130 4.473 4.340 0.005 0.000 0.280 508 R C 0.913 177.213 176.300 -0.000 0.000 1.058 508 R CA 0.140 56.248 56.100 0.012 0.000 1.057 508 R CB 0.188 30.461 30.300 -0.045 0.000 0.973 508 R HN 0.570 nan 8.270 nan 0.000 0.438 509 L N 1.853 123.018 121.223 -0.097 0.000 2.717 509 L HA -0.008 4.335 4.340 0.005 0.000 0.239 509 L C 1.694 178.258 176.870 -0.510 0.000 1.086 509 L CA 0.052 54.797 54.840 -0.158 0.000 0.897 509 L CB -0.004 42.023 42.059 -0.053 0.000 1.214 509 L HN 0.726 nan 8.230 nan 0.000 0.508 510 D N 0.825 120.742 120.400 -0.804 0.000 2.218 510 D HA -0.210 4.433 4.640 0.005 0.000 0.204 510 D C 0.944 176.916 176.300 -0.547 0.000 0.976 510 D CA 1.311 54.542 54.000 -1.282 0.000 0.853 510 D CB -0.418 39.925 40.800 -0.761 0.000 0.939 510 D HN 0.435 nan 8.370 nan 0.000 0.481 511 N N 0.186 118.714 118.700 -0.287 0.000 2.251 511 N HA 0.026 4.769 4.740 0.005 0.000 0.217 511 N C -0.272 175.193 175.510 -0.075 0.000 1.124 511 N CA -0.263 52.710 53.050 -0.129 0.000 0.843 511 N CB 0.214 38.648 38.487 -0.090 0.000 1.024 511 N HN 0.098 nan 8.380 nan 0.000 0.501 512 K N 1.182 121.538 120.400 -0.073 0.000 2.208 512 K HA 0.437 4.761 4.320 0.005 0.000 0.247 512 K C -2.619 174.005 176.600 0.039 0.000 0.953 512 K CA -1.905 54.377 56.287 -0.008 0.000 0.837 512 K CB 1.714 34.217 32.500 0.005 0.000 1.131 512 K HN 0.048 nan 8.250 nan 0.000 0.431 513 P HA -0.033 nan 4.420 nan 0.000 0.269 513 P C 0.489 177.836 177.300 0.078 0.000 1.209 513 P CA 0.515 63.640 63.100 0.042 0.000 0.776 513 P CB 0.641 32.350 31.700 0.016 0.000 0.876 514 G N 0.856 109.706 108.800 0.084 0.000 2.176 514 G HA2 -0.262 3.701 3.960 0.005 0.000 0.232 514 G HA3 -0.262 3.701 3.960 0.005 0.000 0.232 514 G C -0.258 174.708 174.900 0.110 0.000 0.986 514 G CA -0.105 45.056 45.100 0.103 0.000 0.643 514 G HN 0.627 nan 8.290 nan 0.000 0.522 515 Y N 1.147 121.424 120.300 -0.038 0.000 2.319 515 Y HA 0.542 5.095 4.550 0.005 0.000 0.328 515 Y C -0.037 175.748 175.900 -0.192 0.000 1.133 515 Y CA -0.470 57.573 58.100 -0.096 0.000 1.265 515 Y CB 1.385 39.809 38.460 -0.061 0.000 1.218 515 Y HN 0.221 nan 8.280 nan 0.000 0.508 516 V N 7.068 126.312 119.914 -1.118 0.000 2.569 516 V HA 0.191 4.315 4.120 0.005 0.000 0.301 516 V C -0.767 174.687 176.094 -1.068 0.000 1.044 516 V CA -1.292 60.403 62.300 -1.009 0.000 0.874 516 V CB 1.665 32.816 31.823 -1.119 0.000 1.002 516 V HN 0.821 nan 8.190 nan 0.000 0.424 517 N N 2.812 121.102 118.700 -0.684 0.000 2.414 517 N HA 0.111 4.854 4.740 0.005 0.000 0.256 517 N C 1.168 176.546 175.510 -0.219 0.000 1.029 517 N CA 0.421 53.246 53.050 -0.375 0.000 0.948 517 N CB 2.097 40.499 38.487 -0.143 0.000 1.102 517 N HN 0.836 nan 8.380 nan 0.000 0.496 518 T N 0.684 115.161 114.554 -0.129 0.000 3.067 518 T HA 0.142 4.495 4.350 0.005 0.000 0.261 518 T C 1.318 175.912 174.700 -0.177 0.000 1.110 518 T CA 0.842 62.898 62.100 -0.073 0.000 1.113 518 T CB -0.259 68.714 68.868 0.176 0.000 0.917 518 T HN 0.665 nan 8.240 nan 0.000 0.499 519 G N 0.826 109.552 108.800 -0.123 0.000 2.179 519 G HA2 -0.210 3.754 3.960 0.005 0.000 0.260 519 G HA3 -0.210 3.754 3.960 0.005 0.000 0.260 519 G C -0.144 174.614 174.900 -0.237 0.000 0.977 519 G CA 0.030 44.985 45.100 -0.243 0.000 0.641 519 G HN 0.553 nan 8.290 nan 0.000 0.533 520 F N 1.588 121.601 119.950 0.104 0.000 2.410 520 F HA 0.554 5.084 4.527 0.005 0.000 0.348 520 F C 0.973 176.823 175.800 0.084 0.000 1.106 520 F CA -1.580 56.482 58.000 0.103 0.000 1.163 520 F CB 0.713 39.806 39.000 0.155 0.000 1.129 520 F HN -0.105 nan 8.300 nan 0.000 0.516 521 I N 4.165 124.900 120.570 0.275 0.000 2.496 521 I HA 0.015 4.188 4.170 0.005 0.000 0.285 521 I C 1.258 177.480 176.117 0.175 0.000 1.080 521 I CA -0.485 60.928 61.300 0.189 0.000 1.404 521 I CB 0.612 38.694 38.000 0.137 0.000 1.403 521 I HN 0.618 nan 8.210 nan 0.000 0.539 522 D N 5.946 126.434 120.400 0.148 0.000 2.157 522 D HA -0.283 4.360 4.640 0.005 0.000 0.191 522 D C 1.723 178.081 176.300 0.096 0.000 1.004 522 D CA 2.074 56.142 54.000 0.113 0.000 0.854 522 D CB -0.320 40.540 40.800 0.099 0.000 0.936 522 D HN 0.578 nan 8.370 nan 0.000 0.446 523 A N 0.387 123.275 122.820 0.115 0.000 1.902 523 A HA -0.224 4.099 4.320 0.005 0.000 0.217 523 A C 2.240 179.925 177.584 0.168 0.000 1.181 523 A CA 1.877 54.006 52.037 0.154 0.000 0.623 523 A CB -0.704 18.416 19.000 0.202 0.000 0.818 523 A HN 0.316 nan 8.150 nan 0.000 0.443 524 E N 0.322 120.634 120.200 0.187 0.000 2.072 524 E HA -0.122 4.231 4.350 0.005 0.000 0.191 524 E C 2.043 178.649 176.600 0.010 0.000 0.985 524 E CA 1.607 58.083 56.400 0.126 0.000 0.801 524 E CB -0.233 29.582 29.700 0.193 0.000 0.750 524 E HN 0.320 nan 8.360 nan 0.000 0.452 525 V N 1.643 121.578 119.914 0.035 0.000 2.343 525 V HA -0.253 3.870 4.120 0.005 0.000 0.247 525 V C 2.637 178.731 176.094 -0.001 0.000 1.051 525 V CA 1.608 63.901 62.300 -0.011 0.000 1.036 525 V CB -0.609 31.218 31.823 0.008 0.000 0.654 525 V HN 0.247 nan 8.190 nan 0.000 0.451 526 L N 0.463 121.687 121.223 0.003 0.000 2.027 526 L HA -0.110 4.233 4.340 0.005 0.000 0.206 526 L C 2.437 179.293 176.870 -0.023 0.000 1.074 526 L CA 2.052 56.895 54.840 0.005 0.000 0.745 526 L CB -0.950 41.108 42.059 -0.001 0.000 0.898 526 L HN 0.212 nan 8.230 nan 0.000 0.433 527 K N 0.204 120.525 120.400 -0.131 0.000 2.032 527 K HA -0.155 4.168 4.320 0.005 0.000 0.209 527 K C 1.907 178.387 176.600 -0.200 0.000 1.048 527 K CA 1.719 57.835 56.287 -0.285 0.000 0.927 527 K CB -0.469 31.552 32.500 -0.798 0.000 0.712 527 K HN 0.420 nan 8.250 nan 0.000 0.441 528 A N 0.270 123.001 122.820 -0.148 0.000 1.933 528 A HA -0.193 4.130 4.320 0.005 0.000 0.218 528 A C 2.198 179.771 177.584 -0.019 0.000 1.175 528 A CA 1.496 53.484 52.037 -0.081 0.000 0.628 528 A CB -0.855 18.112 19.000 -0.056 0.000 0.814 528 A HN 0.547 nan 8.150 nan 0.000 0.444 529 Y N 0.298 120.540 120.300 -0.096 0.000 2.163 529 Y HA -0.130 4.423 4.550 0.005 0.000 0.288 529 Y C 2.023 177.888 175.900 -0.058 0.000 1.136 529 Y CA 1.619 59.680 58.100 -0.065 0.000 1.147 529 Y CB -0.272 38.153 38.460 -0.059 0.000 0.987 529 Y HN 0.254 nan 8.280 nan 0.000 0.509 530 I N 0.163 120.715 120.570 -0.029 0.000 2.208 530 I HA -0.377 3.796 4.170 0.005 0.000 0.245 530 I C 2.592 178.627 176.117 -0.137 0.000 1.097 530 I CA 1.891 63.129 61.300 -0.103 0.000 1.363 530 I CB -0.464 37.503 38.000 -0.054 0.000 1.051 530 I HN 0.345 nan 8.210 nan 0.000 0.413 531 Q N 1.525 121.254 119.800 -0.119 0.000 2.050 531 Q HA -0.250 4.094 4.340 0.005 0.000 0.202 531 Q C 2.123 178.059 176.000 -0.107 0.000 0.980 531 Q CA 1.964 57.706 55.803 -0.102 0.000 0.840 531 Q CB 0.015 28.695 28.738 -0.096 0.000 0.898 531 Q HN 0.553 nan 8.270 nan 0.000 0.424 532 K N -1.384 118.936 120.400 -0.133 0.000 2.365 532 K HA 0.100 4.423 4.320 0.005 0.000 0.197 532 K C 1.481 177.977 176.600 -0.173 0.000 1.042 532 K CA 1.194 57.405 56.287 -0.126 0.000 0.987 532 K CB 0.304 32.742 32.500 -0.105 0.000 0.779 532 K HN -0.068 nan 8.250 nan 0.000 0.484 533 S N 0.667 116.209 115.700 -0.264 0.000 2.524 533 S HA 0.105 4.578 4.470 0.005 0.000 0.216 533 S C 0.232 174.754 174.600 -0.129 0.000 0.987 533 S CA -0.416 57.627 58.200 -0.262 0.000 0.909 533 S CB 0.301 63.200 63.200 -0.503 0.000 0.781 533 S HN 0.231 nan 8.310 nan 0.000 0.521 534 S N 3.242 118.881 115.700 -0.102 0.000 2.585 534 S HA 0.289 4.762 4.470 0.005 0.000 0.273 534 S C -2.283 172.295 174.600 -0.036 0.000 1.339 534 S CA -0.783 57.386 58.200 -0.052 0.000 1.028 534 S CB 0.099 63.271 63.200 -0.045 0.000 0.906 534 S HN 0.160 nan 8.310 nan 0.000 0.528 535 P HA 0.218 nan 4.420 nan 0.000 0.271 535 P C -0.974 176.332 177.300 0.011 0.000 1.216 535 P CA -0.123 62.975 63.100 -0.004 0.000 0.771 535 P CB 0.299 31.999 31.700 0.001 0.000 0.864 536 L N 2.832 124.073 121.223 0.031 0.000 2.305 536 L HA 0.259 4.602 4.340 0.005 0.000 0.281 536 L C 0.656 177.586 176.870 0.100 0.000 1.085 536 L CA -0.345 54.548 54.840 0.088 0.000 0.813 536 L CB 0.528 42.657 42.059 0.117 0.000 1.157 536 L HN 0.345 nan 8.230 nan 0.000 0.436 537 D N 2.371 122.836 120.400 0.109 0.000 2.443 537 D HA 0.137 4.780 4.640 0.005 0.000 0.221 537 D C 0.872 177.245 176.300 0.121 0.000 1.097 537 D CA -0.564 53.480 54.000 0.072 0.000 0.865 537 D CB 1.670 42.481 40.800 0.019 0.000 1.034 537 D HN 0.310 nan 8.370 nan 0.000 0.511 538 V N 2.154 122.164 119.914 0.161 0.000 3.078 538 V HA -0.140 3.983 4.120 0.005 0.000 0.265 538 V C 1.849 178.036 176.094 0.155 0.000 1.122 538 V CA 1.582 64.037 62.300 0.259 0.000 1.141 538 V CB -1.165 30.778 31.823 0.200 0.000 0.735 538 V HN 0.513 nan 8.190 nan 0.000 0.498 539 S N 0.063 115.796 115.700 0.054 0.000 2.469 539 S HA -0.086 4.387 4.470 0.005 0.000 0.238 539 S C 1.723 176.289 174.600 -0.056 0.000 0.998 539 S CA 1.316 59.525 58.200 0.015 0.000 0.957 539 S CB -0.552 62.650 63.200 0.004 0.000 0.764 539 S HN 0.482 nan 8.310 nan 0.000 0.514 540 V N 0.160 119.967 119.914 -0.179 0.000 2.759 540 V HA -0.054 4.069 4.120 0.005 0.000 0.256 540 V C 1.321 177.096 176.094 -0.533 0.000 1.080 540 V CA 1.251 63.309 62.300 -0.404 0.000 1.101 540 V CB -0.969 30.490 31.823 -0.607 0.000 0.698 540 V HN 0.612 nan 8.190 nan 0.000 0.477 541 Y N -0.469 119.871 120.300 0.065 0.000 2.507 541 Y HA 0.344 4.897 4.550 0.005 0.000 0.254 541 Y C 0.891 176.833 175.900 0.069 0.000 1.171 541 Y CA -0.945 57.199 58.100 0.074 0.000 1.238 541 Y CB -0.175 38.335 38.460 0.083 0.000 1.148 541 Y HN 0.302 nan 8.280 nan 0.000 0.525 542 E N 2.364 122.636 120.200 0.120 0.000 2.257 542 E HA 0.156 4.509 4.350 0.005 0.000 0.278 542 E C -2.385 174.267 176.600 0.087 0.000 1.049 542 E CA -1.970 54.492 56.400 0.104 0.000 0.876 542 E CB 0.444 30.185 29.700 0.069 0.000 1.035 542 E HN 0.064 nan 8.360 nan 0.000 0.419 543 P HA -0.016 nan 4.420 nan 0.000 0.268 543 P C -0.310 177.028 177.300 0.064 0.000 1.205 543 P CA 0.012 63.169 63.100 0.094 0.000 0.771 543 P CB 0.580 32.355 31.700 0.126 0.000 0.858 544 K N 2.076 122.500 120.400 0.040 0.000 3.045 544 K HA 0.295 4.618 4.320 0.005 0.000 0.211 544 K C 0.860 177.465 176.600 0.009 0.000 1.141 544 K CA -0.042 56.260 56.287 0.023 0.000 1.036 544 K CB 0.059 32.566 32.500 0.011 0.000 0.851 544 K HN 0.785 nan 8.250 nan 0.000 0.462 545 G N 1.548 110.359 108.800 0.018 0.000 2.160 545 G HA2 -0.328 3.635 3.960 0.005 0.000 0.251 545 G HA3 -0.328 3.635 3.960 0.005 0.000 0.251 545 G C 0.736 175.588 174.900 -0.079 0.000 1.008 545 G CA 0.697 45.794 45.100 -0.005 0.000 0.724 545 G HN 0.351 nan 8.290 nan 0.000 0.514 546 E N -0.755 119.387 120.200 -0.098 0.000 2.130 546 E HA 0.080 4.433 4.350 0.005 0.000 0.196 546 E C 1.753 178.112 176.600 -0.401 0.000 0.998 546 E CA 1.586 57.872 56.400 -0.190 0.000 0.806 546 E CB -0.066 29.543 29.700 -0.151 0.000 0.738 546 E HN 1.346 nan 8.360 nan 0.000 0.459 547 V N -1.938 117.689 119.914 -0.479 0.000 2.628 547 V HA 0.802 4.925 4.120 0.005 0.000 0.306 547 V C -0.340 175.414 176.094 -0.566 0.000 1.045 547 V CA -0.625 61.088 62.300 -0.979 0.000 0.905 547 V CB 2.165 33.090 31.823 -1.496 0.000 0.997 547 V HN 0.083 nan 8.190 nan 0.000 0.436 548 S N 2.650 117.962 115.700 -0.648 0.000 2.570 548 S HA 0.762 5.235 4.470 0.005 0.000 0.270 548 S C -1.559 172.911 174.600 -0.217 0.000 1.149 548 S CA -0.741 57.362 58.200 -0.161 0.000 0.837 548 S CB 2.001 65.188 63.200 -0.022 0.000 1.124 548 S HN 0.956 nan 8.310 nan 0.000 0.465 549 W N 1.671 123.067 121.300 0.160 0.000 2.739 549 W HA 0.582 5.245 4.660 0.005 0.000 0.331 549 W C -0.284 176.300 176.519 0.108 0.000 1.049 549 W CA -0.519 56.923 57.345 0.163 0.000 1.234 549 W CB 2.033 31.605 29.460 0.186 0.000 1.404 549 W HN 1.076 nan 8.180 nan 0.000 0.477 550 Q N 0.000 119.961 119.800 0.269 0.000 2.315 550 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 550 Q CA 0.000 55.907 55.803 0.173 0.000 1.022 550 Q CB 0.000 28.812 28.738 0.123 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481