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 2ps2_1_B DATA FIRST_RESID 3 DATA SEQUENCE DLKIARIDVF QVDLPYSGGV YYLXXXXXXX SFDATIVRIT TDTGIEGWGE DATA SEQUENCE STPFGSNYIA SHPRGVRAGI ATMAPSLIGL DPRRVDRIND AMDDALLGHE DATA SEQUENCE DAKTAIDVAC WDIFGKSVGL PVCELLGGRT NTRLPLISSI YVGEPEDMRA DATA SEQUENCE RVAKYRAKGY KGQSVKISGE PVTDAKRITA ALANQQPDEF FIVDANGKLS DATA SEQUENCE VETALRLLRL LPHGLDFALE APCATWRECI SLRRKTDIPI IYDELATNEM DATA SEQUENCE SIVKILADDA AEGIDLKISK AGGLTRGRRQ RDICLAAGYS VSVQETCGSD DATA SEQUENCE IAFAAIVHLA QTIPERSLRC ILECRDMVTV KTADGAFDIQ DGFATAPTTP DATA SEQUENCE GLGIMPRLDV LGEAVASY 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.285 176.300 -0.024 0.000 2.045 3 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 3 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 4 L N 0.993 122.194 121.223 -0.037 0.000 2.409 4 L HA 0.670 5.010 4.340 0.000 0.000 0.262 4 L C -0.717 176.125 176.870 -0.046 0.000 0.992 4 L CA -0.740 54.079 54.840 -0.036 0.000 0.817 4 L CB 2.331 44.367 42.059 -0.038 0.000 1.350 4 L HN 0.246 nan 8.230 nan 0.000 0.411 5 K N 3.157 123.534 120.400 -0.038 0.000 2.469 5 K HA 0.543 4.863 4.320 0.000 0.000 0.254 5 K C -1.171 175.406 176.600 -0.038 0.000 0.939 5 K CA -0.797 55.466 56.287 -0.041 0.000 0.812 5 K CB 3.004 35.485 32.500 -0.033 0.000 1.301 5 K HN 0.421 nan 8.250 nan 0.000 0.433 6 I N 2.436 122.981 120.570 -0.042 0.000 2.436 6 I HA -0.021 4.149 4.170 0.000 0.000 0.289 6 I C 1.010 177.111 176.117 -0.027 0.000 1.083 6 I CA 0.285 61.562 61.300 -0.038 0.000 1.372 6 I CB 1.129 39.104 38.000 -0.043 0.000 1.408 6 I HN 0.854 nan 8.210 nan 0.000 0.516 7 A N 7.080 129.886 122.820 -0.023 0.000 1.973 7 A HA 0.207 4.527 4.320 0.000 0.000 0.210 7 A C 1.061 178.639 177.584 -0.009 0.000 1.200 7 A CA 0.484 52.513 52.037 -0.015 0.000 0.707 7 A CB 0.320 19.312 19.000 -0.014 0.000 0.862 7 A HN 0.726 nan 8.150 nan 0.000 0.461 8 R N -1.099 119.393 120.500 -0.014 0.000 2.643 8 R HA 0.657 4.997 4.340 0.000 0.000 0.269 8 R C -2.278 174.017 176.300 -0.009 0.000 1.037 8 R CA -0.578 55.518 56.100 -0.006 0.000 0.894 8 R CB 1.246 31.534 30.300 -0.020 0.000 1.238 8 R HN 0.192 nan 8.270 nan 0.000 0.459 9 I N 3.233 123.822 120.570 0.033 0.000 2.468 9 I HA 0.315 4.485 4.170 0.000 0.000 0.285 9 I C -1.108 175.035 176.117 0.044 0.000 1.039 9 I CA -0.761 60.569 61.300 0.051 0.000 1.074 9 I CB 2.019 40.086 38.000 0.112 0.000 1.228 9 I HN 0.463 nan 8.210 nan 0.000 0.436 10 D N 6.178 126.543 120.400 -0.058 0.000 2.256 10 D HA 0.458 5.098 4.640 0.000 0.000 0.246 10 D C -0.592 175.565 176.300 -0.237 0.000 1.042 10 D CA -0.291 53.584 54.000 -0.208 0.000 0.841 10 D CB 3.346 43.988 40.800 -0.263 0.000 1.223 10 D HN 0.045 nan 8.370 nan 0.000 0.470 11 V N 2.544 122.254 119.914 -0.340 0.000 2.435 11 V HA 0.468 4.588 4.120 0.000 0.000 0.290 11 V C -0.476 175.356 176.094 -0.437 0.000 1.030 11 V CA -0.642 61.540 62.300 -0.198 0.000 0.881 11 V CB 0.928 32.736 31.823 -0.026 0.000 0.983 11 V HN 0.351 nan 8.190 nan 0.000 0.445 12 F N 2.251 122.266 119.950 0.108 0.000 2.561 12 F HA 0.629 5.156 4.527 0.000 0.000 0.321 12 F C 0.109 175.969 175.800 0.099 0.000 1.065 12 F CA -0.593 57.476 58.000 0.115 0.000 0.934 12 F CB 1.853 40.963 39.000 0.182 0.000 1.215 12 F HN 0.319 nan 8.300 nan 0.000 0.471 13 Q N 2.243 122.196 119.800 0.255 0.000 2.340 13 Q HA 0.681 5.021 4.340 0.000 0.000 0.268 13 Q C -1.942 174.153 176.000 0.157 0.000 1.031 13 Q CA -0.619 55.284 55.803 0.166 0.000 0.804 13 Q CB 2.284 31.084 28.738 0.104 0.000 1.286 13 Q HN 0.599 nan 8.270 nan 0.000 0.448 14 V N 3.594 123.587 119.914 0.131 0.000 2.623 14 V HA 0.279 4.399 4.120 0.000 0.000 0.304 14 V C -0.894 175.255 176.094 0.092 0.000 1.054 14 V CA -0.986 61.377 62.300 0.104 0.000 0.882 14 V CB 2.157 34.037 31.823 0.095 0.000 1.002 14 V HN 0.710 nan 8.190 nan 0.000 0.424 15 D N 4.919 125.362 120.400 0.072 0.000 2.325 15 D HA 0.378 5.018 4.640 0.000 0.000 0.251 15 D C -0.347 175.997 176.300 0.074 0.000 1.196 15 D CA 0.139 54.177 54.000 0.063 0.000 0.866 15 D CB 1.794 42.616 40.800 0.037 0.000 1.101 15 D HN 0.344 nan 8.370 nan 0.000 0.476 16 L N 5.327 126.617 121.223 0.112 0.000 2.297 16 L HA 0.272 4.612 4.340 0.000 0.000 0.277 16 L C -2.109 174.848 176.870 0.144 0.000 1.040 16 L CA -1.858 53.071 54.840 0.147 0.000 0.867 16 L CB 1.290 43.481 42.059 0.221 0.000 1.244 16 L HN 0.029 nan 8.230 nan 0.000 0.433 17 P HA -0.121 nan 4.420 nan 0.000 0.268 17 P C -0.838 176.542 177.300 0.133 0.000 1.204 17 P CA -0.106 63.026 63.100 0.053 0.000 0.768 17 P CB 0.541 32.257 31.700 0.026 0.000 0.842 18 Y N 3.415 123.678 120.300 -0.061 0.000 2.544 18 Y HA -0.013 4.537 4.550 0.000 0.000 0.330 18 Y C 1.727 177.661 175.900 0.057 0.000 1.136 18 Y CA 0.017 58.136 58.100 0.032 0.000 1.417 18 Y CB 0.321 38.714 38.460 -0.113 0.000 1.229 18 Y HN 0.438 nan 8.280 nan 0.000 0.532 19 S N 2.275 117.815 115.700 -0.265 0.000 2.442 19 S HA -0.106 4.364 4.470 0.000 0.000 0.236 19 S C 1.712 176.003 174.600 -0.514 0.000 1.007 19 S CA 0.914 58.932 58.200 -0.302 0.000 0.965 19 S CB -0.519 62.588 63.200 -0.155 0.000 0.773 19 S HN 0.879 nan 8.310 nan 0.000 0.504 20 G N -0.423 107.631 108.800 -1.244 0.000 3.189 20 G HA2 0.492 4.452 3.960 0.000 0.000 0.225 20 G HA3 0.492 4.452 3.960 0.000 0.000 0.225 20 G C 0.995 175.709 174.900 -0.310 0.000 1.159 20 G CA 0.033 44.662 45.100 -0.785 0.000 0.763 20 G HN 1.099 nan 8.290 nan 0.000 0.549 21 G N -0.866 107.813 108.800 -0.202 0.000 4.890 21 G HA2 -0.249 3.711 3.960 0.000 0.000 0.221 21 G HA3 -0.249 3.711 3.960 0.000 0.000 0.221 21 G C 0.026 175.022 174.900 0.159 0.000 1.472 21 G CA 0.287 45.402 45.100 0.024 0.000 0.962 21 G HN 1.018 nan 8.290 nan 0.000 0.671 22 V N 0.535 120.543 119.914 0.155 0.000 2.733 22 V HA 0.620 4.740 4.120 0.000 0.000 0.306 22 V C -1.004 174.849 176.094 -0.401 0.000 1.084 22 V CA -0.778 61.432 62.300 -0.150 0.000 0.905 22 V CB 1.958 33.573 31.823 -0.346 0.000 1.010 22 V HN 0.757 nan 8.190 nan 0.000 0.424 23 Y N 4.408 124.279 120.300 -0.715 0.000 2.342 23 Y HA 0.696 5.246 4.550 0.000 0.000 0.334 23 Y C -1.164 174.315 175.900 -0.700 0.000 1.067 23 Y CA -0.820 56.849 58.100 -0.717 0.000 1.128 23 Y CB 1.356 39.385 38.460 -0.718 0.000 1.200 23 Y HN 0.586 nan 8.280 nan 0.000 0.464 24 Y N 6.510 126.384 120.300 -0.710 0.000 2.328 24 Y HA 0.560 5.110 4.550 0.000 0.000 0.337 24 Y C -0.202 175.379 175.900 -0.532 0.000 0.966 24 Y CA -1.103 56.720 58.100 -0.462 0.000 1.136 24 Y CB 0.619 38.904 38.460 -0.290 0.000 1.170 24 Y HN 0.674 nan 8.280 nan 0.000 0.470 34 F N 2.299 122.246 119.950 -0.005 0.000 2.482 34 F HA 0.418 4.945 4.527 0.000 0.000 0.331 34 F C 0.238 176.044 175.800 0.010 0.000 1.115 34 F CA -0.879 57.111 58.000 -0.017 0.000 0.955 34 F CB 1.435 40.443 39.000 0.015 0.000 1.136 34 F HN 0.514 nan 8.300 nan 0.000 0.452 35 D N 2.912 123.422 120.400 0.183 0.000 2.393 35 D HA 0.407 5.047 4.640 0.000 0.000 0.232 35 D C -0.533 175.847 176.300 0.132 0.000 1.192 35 D CA 0.081 54.153 54.000 0.121 0.000 0.882 35 D CB 0.823 41.671 40.800 0.080 0.000 1.038 35 D HN 0.605 nan 8.370 nan 0.000 0.499 36 A N 3.313 126.212 122.820 0.132 0.000 2.309 36 A HA 0.562 4.882 4.320 0.000 0.000 0.298 36 A C 0.138 177.797 177.584 0.125 0.000 1.165 36 A CA -0.468 51.644 52.037 0.124 0.000 0.821 36 A CB 0.837 19.911 19.000 0.123 0.000 1.102 36 A HN 0.462 nan 8.150 nan 0.000 0.500 37 T N 3.080 117.709 114.554 0.124 0.000 2.770 37 T HA 0.546 4.896 4.350 0.000 0.000 0.283 37 T C -0.381 174.425 174.700 0.177 0.000 0.988 37 T CA 0.133 62.317 62.100 0.139 0.000 0.957 37 T CB 0.202 69.132 68.868 0.104 0.000 0.930 37 T HN 0.451 nan 8.240 nan 0.000 0.443 38 I N 3.076 123.797 120.570 0.252 0.000 2.474 38 I HA 0.559 4.729 4.170 0.000 0.000 0.294 38 I C -0.565 175.798 176.117 0.409 0.000 1.005 38 I CA -1.109 60.389 61.300 0.329 0.000 1.113 38 I CB 2.073 40.288 38.000 0.359 0.000 1.289 38 I HN 0.242 nan 8.210 nan 0.000 0.436 39 V N 6.205 126.322 119.914 0.338 0.000 2.555 39 V HA 0.509 4.629 4.120 0.000 0.000 0.302 39 V C -0.211 175.917 176.094 0.058 0.000 1.038 39 V CA -0.712 61.720 62.300 0.220 0.000 0.887 39 V CB 2.117 34.011 31.823 0.120 0.000 0.991 39 V HN 0.679 nan 8.190 nan 0.000 0.434 40 R N 4.412 124.820 120.500 -0.153 0.000 2.437 40 R HA 0.696 5.036 4.340 0.000 0.000 0.310 40 R C -1.532 174.562 176.300 -0.344 0.000 0.955 40 R CA -0.560 55.125 56.100 -0.693 0.000 0.851 40 R CB 1.330 30.927 30.300 -1.173 0.000 1.161 40 R HN 0.713 nan 8.270 nan 0.000 0.446 41 I N 3.128 123.510 120.570 -0.314 0.000 2.404 41 I HA 0.298 4.468 4.170 0.000 0.000 0.293 41 I C -0.405 175.620 176.117 -0.153 0.000 0.992 41 I CA -0.711 60.493 61.300 -0.159 0.000 1.149 41 I CB 2.449 40.394 38.000 -0.090 0.000 1.315 41 I HN 0.576 nan 8.210 nan 0.000 0.446 42 T N 3.296 117.792 114.554 -0.096 0.000 2.812 42 T HA 0.350 4.700 4.350 0.000 0.000 0.282 42 T C 0.126 174.803 174.700 -0.038 0.000 0.990 42 T CA -0.646 61.416 62.100 -0.063 0.000 0.960 42 T CB 1.496 70.336 68.868 -0.047 0.000 0.948 42 T HN 0.720 nan 8.240 nan 0.000 0.438 43 T N -0.412 114.126 114.554 -0.026 0.000 2.816 43 T HA 0.200 4.550 4.350 0.000 0.000 0.282 43 T C 1.244 175.936 174.700 -0.013 0.000 0.993 43 T CA -0.688 61.400 62.100 -0.020 0.000 0.994 43 T CB 0.664 69.524 68.868 -0.013 0.000 1.025 43 T HN 0.595 nan 8.240 nan 0.000 0.529 44 D N 0.152 120.544 120.400 -0.013 0.000 2.309 44 D HA -0.142 4.498 4.640 0.000 0.000 0.212 44 D C 1.731 178.029 176.300 -0.003 0.000 0.968 44 D CA 1.511 55.506 54.000 -0.009 0.000 0.882 44 D CB -0.933 39.861 40.800 -0.011 0.000 0.918 44 D HN 0.748 nan 8.370 nan 0.000 0.503 45 T N -4.779 109.774 114.554 -0.001 0.000 3.081 45 T HA 0.423 4.773 4.350 0.000 0.000 0.250 45 T C 1.702 176.408 174.700 0.011 0.000 1.100 45 T CA 0.462 62.565 62.100 0.005 0.000 1.038 45 T CB 0.274 69.146 68.868 0.006 0.000 0.962 45 T HN 0.375 nan 8.240 nan 0.000 0.516 46 G N 1.390 110.196 108.800 0.009 0.000 2.179 46 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 46 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 46 G C 0.016 174.930 174.900 0.024 0.000 0.990 46 G CA -0.203 44.907 45.100 0.017 0.000 0.646 46 G HN 0.632 nan 8.290 nan 0.000 0.517 47 I N 1.674 122.256 120.570 0.021 0.000 2.556 47 I HA 0.298 4.468 4.170 0.000 0.000 0.284 47 I C 0.493 176.621 176.117 0.018 0.000 1.114 47 I CA 0.274 61.594 61.300 0.032 0.000 1.418 47 I CB 0.652 38.672 38.000 0.034 0.000 1.394 47 I HN 0.164 nan 8.210 nan 0.000 0.552 48 E N 4.280 124.503 120.200 0.038 0.000 2.195 48 E HA 0.632 4.982 4.350 0.000 0.000 0.271 48 E C -0.241 176.361 176.600 0.002 0.000 0.923 48 E CA -0.717 55.673 56.400 -0.018 0.000 0.790 48 E CB 2.218 31.931 29.700 0.022 0.000 1.155 48 E HN 0.761 nan 8.360 nan 0.000 0.402 49 G N 1.926 110.647 108.800 -0.132 0.000 2.571 49 G HA2 0.531 4.491 3.960 0.000 0.000 0.304 49 G HA3 0.531 4.491 3.960 0.000 0.000 0.304 49 G C -1.773 173.013 174.900 -0.191 0.000 1.314 49 G CA -0.627 44.462 45.100 -0.017 0.000 0.975 49 G HN 0.357 nan 8.290 nan 0.000 0.485 50 W N 0.108 121.462 121.300 0.091 0.000 2.761 50 W HA 0.736 5.396 4.660 0.000 0.000 0.340 50 W C 0.328 176.903 176.519 0.094 0.000 1.072 50 W CA -0.479 56.920 57.345 0.090 0.000 1.215 50 W CB 2.925 32.422 29.460 0.061 0.000 1.420 50 W HN 0.839 nan 8.180 nan 0.000 0.519 51 G N 0.764 109.761 108.800 0.330 0.000 2.690 51 G HA2 0.593 4.553 3.960 0.000 0.000 0.293 51 G HA3 0.593 4.553 3.960 0.000 0.000 0.293 51 G C -2.110 172.919 174.900 0.216 0.000 1.399 51 G CA -0.694 44.542 45.100 0.227 0.000 0.890 51 G HN 0.396 nan 8.290 nan 0.000 0.485 52 E N -0.697 119.598 120.200 0.159 0.000 2.367 52 E HA 0.660 5.010 4.350 0.000 0.000 0.273 52 E C -1.538 175.126 176.600 0.107 0.000 0.903 52 E CA -0.812 55.672 56.400 0.139 0.000 0.764 52 E CB 2.267 32.038 29.700 0.118 0.000 1.252 52 E HN 0.432 nan 8.360 nan 0.000 0.446 53 S N 2.029 117.790 115.700 0.103 0.000 2.737 53 S HA 0.355 4.825 4.470 0.000 0.000 0.269 53 S C -1.612 173.037 174.600 0.082 0.000 1.150 53 S CA -0.437 57.814 58.200 0.084 0.000 1.077 53 S CB 1.168 64.417 63.200 0.082 0.000 1.075 53 S HN 0.404 nan 8.310 nan 0.000 0.476 54 T N 7.303 121.899 114.554 0.070 0.000 2.991 54 T HA 0.445 4.796 4.350 0.000 0.000 0.347 54 T C -2.740 171.997 174.700 0.062 0.000 1.122 54 T CA -1.028 61.115 62.100 0.072 0.000 1.062 54 T CB 1.432 70.337 68.868 0.062 0.000 1.043 54 T HN 0.448 nan 8.240 nan 0.000 0.491 55 P HA 0.176 nan 4.420 nan 0.000 0.272 55 P C -0.528 176.856 177.300 0.140 0.000 1.230 55 P CA -0.582 62.585 63.100 0.113 0.000 0.788 55 P CB 0.751 32.521 31.700 0.117 0.000 0.949 56 F N 2.193 122.137 119.950 -0.010 0.000 2.499 56 F HA 0.418 4.945 4.527 0.000 0.000 0.353 56 F C 1.127 176.973 175.800 0.077 0.000 1.196 56 F CA 0.864 58.848 58.000 -0.027 0.000 1.244 56 F CB -0.880 38.081 39.000 -0.065 0.000 1.577 56 F HN 0.735 nan 8.300 nan 0.000 0.614 57 G N 3.052 111.807 108.800 -0.075 0.000 2.550 57 G HA2 -0.243 3.717 3.960 0.000 0.000 0.277 57 G HA3 -0.243 3.717 3.960 0.000 0.000 0.277 57 G C 0.313 175.216 174.900 0.005 0.000 1.190 57 G CA 0.231 45.264 45.100 -0.111 0.000 0.971 57 G HN 1.498 nan 8.290 nan 0.000 0.559 58 S N -0.505 115.180 115.700 -0.025 0.000 3.078 58 S HA 0.303 4.773 4.470 0.000 0.000 0.248 58 S C 0.631 175.216 174.600 -0.026 0.000 0.857 58 S CA 0.744 58.956 58.200 0.019 0.000 1.139 58 S CB -0.154 63.062 63.200 0.026 0.000 1.186 58 S HN 1.393 nan 8.310 nan 0.000 0.567 59 N N 0.787 119.441 118.700 -0.078 0.000 2.508 59 N HA 0.141 4.881 4.740 0.000 0.000 0.186 59 N C 1.050 176.530 175.510 -0.050 0.000 1.034 59 N CA 0.363 53.333 53.050 -0.133 0.000 0.885 59 N CB -0.727 37.583 38.487 -0.294 0.000 1.135 59 N HN 0.264 nan 8.380 nan 0.000 0.435 60 Y N 1.490 121.863 120.300 0.122 0.000 2.314 60 Y HA 0.262 4.812 4.550 0.000 0.000 0.293 60 Y C 1.046 176.988 175.900 0.071 0.000 1.129 60 Y CA -0.089 58.073 58.100 0.103 0.000 1.201 60 Y CB -0.228 38.312 38.460 0.134 0.000 0.999 60 Y HN 0.216 nan 8.280 nan 0.000 0.541 61 I N -4.062 116.639 120.570 0.219 0.000 2.969 61 I HA 0.742 4.912 4.170 0.000 0.000 0.307 61 I C -0.186 175.991 176.117 0.100 0.000 1.149 61 I CA -1.807 59.577 61.300 0.140 0.000 1.008 61 I CB 2.087 40.164 38.000 0.128 0.000 1.232 61 I HN -0.269 nan 8.210 nan 0.000 0.435 62 A N 3.095 125.957 122.820 0.070 0.000 2.993 62 A HA 0.488 4.808 4.320 0.000 0.000 0.281 62 A C 0.241 177.869 177.584 0.073 0.000 1.847 62 A CA 0.363 52.428 52.037 0.048 0.000 1.470 62 A CB -1.109 17.901 19.000 0.016 0.000 1.028 62 A HN 0.726 nan 8.150 nan 0.000 0.604 63 S N 1.566 117.341 115.700 0.124 0.000 2.535 63 S HA 0.655 5.125 4.470 0.000 0.000 0.272 63 S C -1.212 173.546 174.600 0.263 0.000 1.149 63 S CA -0.736 57.574 58.200 0.183 0.000 0.888 63 S CB 0.885 64.158 63.200 0.122 0.000 1.110 63 S HN 1.003 nan 8.310 nan 0.000 0.463 64 H N 1.778 120.878 119.070 0.049 0.000 3.046 64 H HA 0.502 5.058 4.556 0.000 0.000 0.361 64 H C -3.102 172.261 175.328 0.058 0.000 1.235 64 H CA -1.658 54.417 56.048 0.046 0.000 1.146 64 H CB 0.440 30.221 29.762 0.031 0.000 1.859 64 H HN 0.282 nan 8.280 nan 0.000 0.548 65 P HA -0.149 nan 4.420 nan 0.000 0.216 65 P C 1.464 178.684 177.300 -0.135 0.000 1.157 65 P CA 1.964 65.046 63.100 -0.029 0.000 0.880 65 P CB 0.221 31.945 31.700 0.039 0.000 0.791 66 R N -1.107 119.281 120.500 -0.187 0.000 2.120 66 R HA -0.042 4.298 4.340 0.000 0.000 0.234 66 R C 2.531 178.623 176.300 -0.347 0.000 1.123 66 R CA 1.524 57.519 56.100 -0.176 0.000 0.975 66 R CB -1.285 29.013 30.300 -0.003 0.000 0.866 66 R HN 0.270 nan 8.270 nan 0.000 0.446 67 G N 0.384 108.615 108.800 -0.947 0.000 2.408 67 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 67 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 67 G C 1.461 176.262 174.900 -0.165 0.000 1.150 67 G CA 0.444 45.203 45.100 -0.569 0.000 0.776 67 G HN 0.101 nan 8.290 nan 0.000 0.542 68 V N 0.770 120.594 119.914 -0.151 0.000 2.255 68 V HA -0.205 3.915 4.120 0.000 0.000 0.247 68 V C 2.945 179.033 176.094 -0.010 0.000 1.051 68 V CA 2.140 64.426 62.300 -0.022 0.000 1.018 68 V CB -0.469 31.356 31.823 0.002 0.000 0.641 68 V HN 0.319 nan 8.190 nan 0.000 0.445 69 R N -0.143 120.343 120.500 -0.023 0.000 2.092 69 R HA -0.057 4.283 4.340 0.000 0.000 0.231 69 R C 2.413 178.715 176.300 0.004 0.000 1.119 69 R CA 1.301 57.407 56.100 0.009 0.000 0.970 69 R CB -0.543 29.767 30.300 0.017 0.000 0.864 69 R HN 0.543 nan 8.270 nan 0.000 0.440 70 A N 0.793 123.600 122.820 -0.020 0.000 1.902 70 A HA -0.076 4.244 4.320 0.000 0.000 0.217 70 A C 2.372 179.924 177.584 -0.053 0.000 1.181 70 A CA 1.717 53.744 52.037 -0.017 0.000 0.623 70 A CB -1.046 17.950 19.000 -0.007 0.000 0.818 70 A HN 0.454 nan 8.150 nan 0.000 0.443 71 G N -0.044 108.720 108.800 -0.060 0.000 2.422 71 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 71 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 71 G C 1.506 176.334 174.900 -0.120 0.000 1.146 71 G CA 1.089 46.114 45.100 -0.126 0.000 0.769 71 G HN 0.485 nan 8.290 nan 0.000 0.547 72 I N 1.285 121.807 120.570 -0.080 0.000 2.252 72 I HA -0.152 4.018 4.170 0.000 0.000 0.245 72 I C 3.280 179.234 176.117 -0.271 0.000 1.102 72 I CA 0.857 62.081 61.300 -0.125 0.000 1.385 72 I CB -0.207 37.771 38.000 -0.037 0.000 1.064 72 I HN 0.242 nan 8.210 nan 0.000 0.414 73 A N 0.374 123.099 122.820 -0.159 0.000 1.908 73 A HA -0.215 4.105 4.320 0.000 0.000 0.218 73 A C 2.378 179.820 177.584 -0.236 0.000 1.181 73 A CA 2.511 54.448 52.037 -0.167 0.000 0.627 73 A CB -1.053 17.984 19.000 0.063 0.000 0.818 73 A HN 0.376 nan 8.150 nan 0.000 0.445 74 T N -0.223 114.229 114.554 -0.171 0.000 2.857 74 T HA -0.045 4.305 4.350 0.000 0.000 0.266 74 T C 1.899 176.493 174.700 -0.177 0.000 1.048 74 T CA 1.693 63.702 62.100 -0.152 0.000 1.139 74 T CB -0.233 68.549 68.868 -0.144 0.000 0.874 74 T HN 0.470 nan 8.240 nan 0.000 0.455 75 M N 0.512 119.987 119.600 -0.208 0.000 2.325 75 M HA 0.209 4.689 4.480 0.000 0.000 0.265 75 M C 2.906 179.071 176.300 -0.225 0.000 1.094 75 M CA 0.768 55.959 55.300 -0.181 0.000 1.161 75 M CB -0.451 32.064 32.600 -0.141 0.000 1.358 75 M HN 0.236 nan 8.290 nan 0.000 0.446 76 A N 1.590 124.191 122.820 -0.366 0.000 1.909 76 A HA -0.183 4.137 4.320 0.000 0.000 0.221 76 A C -0.314 177.105 177.584 -0.275 0.000 1.223 76 A CA 2.137 53.916 52.037 -0.430 0.000 0.658 76 A CB -2.223 16.181 19.000 -0.993 0.000 0.831 76 A HN 0.297 nan 8.150 nan 0.000 0.462 77 P HA -0.158 nan 4.420 nan 0.000 0.216 77 P C 1.684 178.942 177.300 -0.069 0.000 1.150 77 P CA 2.001 65.045 63.100 -0.094 0.000 0.843 77 P CB -0.204 31.458 31.700 -0.063 0.000 0.787 78 S N -1.946 113.702 115.700 -0.086 0.000 2.603 78 S HA 0.060 4.530 4.470 0.000 0.000 0.220 78 S C 1.536 176.099 174.600 -0.061 0.000 0.967 78 S CA 0.401 58.563 58.200 -0.064 0.000 0.920 78 S CB -1.100 62.062 63.200 -0.063 0.000 0.773 78 S HN 0.100 nan 8.310 nan 0.000 0.529 79 L N 0.649 121.829 121.223 -0.071 0.000 2.554 79 L HA 0.331 4.671 4.340 0.000 0.000 0.225 79 L C 0.126 176.966 176.870 -0.050 0.000 1.104 79 L CA -0.211 54.591 54.840 -0.063 0.000 0.866 79 L CB -0.141 41.875 42.059 -0.072 0.000 1.047 79 L HN 0.276 nan 8.230 nan 0.000 0.468 80 I N 1.491 122.037 120.570 -0.039 0.000 2.668 80 I HA 0.070 4.240 4.170 0.000 0.000 0.285 80 I C 1.449 177.549 176.117 -0.028 0.000 1.168 80 I CA 1.136 62.422 61.300 -0.024 0.000 1.424 80 I CB -0.084 37.912 38.000 -0.007 0.000 1.377 80 I HN 0.387 nan 8.210 nan 0.000 0.560 81 G N 5.058 113.840 108.800 -0.030 0.000 2.213 81 G HA2 -0.202 3.758 3.960 0.000 0.000 0.236 81 G HA3 -0.202 3.758 3.960 0.000 0.000 0.236 81 G C 0.057 174.933 174.900 -0.041 0.000 0.991 81 G CA -0.511 44.570 45.100 -0.032 0.000 0.629 81 G HN 0.399 nan 8.290 nan 0.000 0.517 82 L N 1.535 122.729 121.223 -0.049 0.000 2.439 82 L HA 0.566 4.906 4.340 0.000 0.000 0.261 82 L C 0.359 177.184 176.870 -0.075 0.000 1.153 82 L CA -0.829 53.973 54.840 -0.062 0.000 0.808 82 L CB 1.067 43.086 42.059 -0.067 0.000 1.126 82 L HN 0.194 nan 8.230 nan 0.000 0.460 83 D N 3.727 124.072 120.400 -0.092 0.000 2.336 83 D HA 0.127 4.767 4.640 0.000 0.000 0.249 83 D C -1.646 174.561 176.300 -0.156 0.000 1.213 83 D CA -1.756 52.175 54.000 -0.114 0.000 0.870 83 D CB 1.398 42.124 40.800 -0.123 0.000 1.076 83 D HN 0.275 nan 8.370 nan 0.000 0.483 84 P HA -0.112 nan 4.420 nan 0.000 0.225 84 P C 0.946 178.056 177.300 -0.317 0.000 1.148 84 P CA 0.637 63.630 63.100 -0.178 0.000 0.779 84 P CB 0.425 32.058 31.700 -0.112 0.000 0.780 85 R N -0.110 120.157 120.500 -0.387 0.000 2.193 85 R HA 0.064 4.404 4.340 0.000 0.000 0.213 85 R C 1.391 177.176 176.300 -0.857 0.000 1.055 85 R CA 0.406 56.038 56.100 -0.781 0.000 0.995 85 R CB -0.262 29.662 30.300 -0.627 0.000 0.893 85 R HN 0.174 nan 8.270 nan 0.000 0.459 86 R N 1.797 122.003 120.500 -0.490 0.000 4.138 86 R HA 0.018 4.358 4.340 0.000 0.000 0.206 86 R C 1.556 177.655 176.300 -0.335 0.000 1.667 86 R CA -0.202 55.674 56.100 -0.374 0.000 1.481 86 R CB 0.185 30.347 30.300 -0.230 0.000 1.388 86 R HN 0.130 nan 8.270 nan 0.000 0.776 87 V N -1.679 117.954 119.914 -0.469 0.000 2.278 87 V HA -0.339 3.781 4.120 0.000 0.000 0.251 87 V C 1.471 177.484 176.094 -0.135 0.000 1.062 87 V CA 1.868 63.957 62.300 -0.351 0.000 1.038 87 V CB -0.166 31.322 31.823 -0.559 0.000 0.646 87 V HN 0.466 nan 8.190 nan 0.000 0.447 88 D N -0.211 120.129 120.400 -0.099 0.000 2.178 88 D HA -0.133 4.507 4.640 0.000 0.000 0.202 88 D C 2.320 178.596 176.300 -0.041 0.000 0.974 88 D CA 1.356 55.340 54.000 -0.026 0.000 0.841 88 D CB -0.049 40.747 40.800 -0.006 0.000 0.953 88 D HN 0.316 nan 8.370 nan 0.000 0.478 89 R N 0.739 121.193 120.500 -0.077 0.000 2.115 89 R HA 0.001 4.341 4.340 0.000 0.000 0.226 89 R C 2.178 178.440 176.300 -0.064 0.000 1.100 89 R CA 0.200 56.259 56.100 -0.068 0.000 0.980 89 R CB -0.520 29.729 30.300 -0.084 0.000 0.875 89 R HN 0.197 nan 8.270 nan 0.000 0.445 90 I N 0.915 121.436 120.570 -0.082 0.000 2.226 90 I HA -0.245 3.925 4.170 0.000 0.000 0.245 90 I C 1.616 177.712 176.117 -0.035 0.000 1.100 90 I CA 1.340 62.599 61.300 -0.069 0.000 1.374 90 I CB -0.973 36.974 38.000 -0.087 0.000 1.057 90 I HN 0.274 nan 8.210 nan 0.000 0.413 91 N N 0.813 119.504 118.700 -0.015 0.000 2.166 91 N HA -0.186 4.554 4.740 0.000 0.000 0.186 91 N C 1.312 176.824 175.510 0.004 0.000 1.019 91 N CA 1.335 54.393 53.050 0.012 0.000 0.856 91 N CB -0.061 38.450 38.487 0.041 0.000 0.993 91 N HN 0.349 nan 8.380 nan 0.000 0.426 92 D N 1.152 121.548 120.400 -0.007 0.000 2.117 92 D HA -0.084 4.556 4.640 0.000 0.000 0.197 92 D C 1.892 178.183 176.300 -0.015 0.000 0.987 92 D CA 0.823 54.818 54.000 -0.008 0.000 0.829 92 D CB -0.300 40.491 40.800 -0.015 0.000 0.961 92 D HN 0.217 nan 8.370 nan 0.000 0.460 93 A N 0.497 123.302 122.820 -0.025 0.000 1.902 93 A HA -0.158 4.162 4.320 0.000 0.000 0.217 93 A C 2.262 179.827 177.584 -0.031 0.000 1.181 93 A CA 1.309 53.327 52.037 -0.032 0.000 0.623 93 A CB -0.504 18.471 19.000 -0.043 0.000 0.818 93 A HN 0.153 nan 8.150 nan 0.000 0.443 94 M N -0.581 119.003 119.600 -0.025 0.000 2.132 94 M HA -0.146 4.334 4.480 0.000 0.000 0.263 94 M C 1.490 177.781 176.300 -0.013 0.000 1.065 94 M CA 1.593 56.879 55.300 -0.024 0.000 1.122 94 M CB -0.655 31.940 32.600 -0.010 0.000 1.365 94 M HN 0.307 nan 8.290 nan 0.000 0.411 95 D N 0.744 121.144 120.400 -0.000 0.000 2.123 95 D HA -0.157 4.483 4.640 0.000 0.000 0.196 95 D C 1.499 177.798 176.300 -0.001 0.000 0.992 95 D CA 1.215 55.221 54.000 0.009 0.000 0.833 95 D CB -0.478 40.330 40.800 0.014 0.000 0.954 95 D HN 0.321 nan 8.370 nan 0.000 0.455 96 D N -0.002 120.392 120.400 -0.011 0.000 2.264 96 D HA -0.040 4.600 4.640 0.000 0.000 0.208 96 D C 1.779 178.066 176.300 -0.022 0.000 0.966 96 D CA 0.739 54.730 54.000 -0.015 0.000 0.864 96 D CB 0.067 40.856 40.800 -0.019 0.000 0.933 96 D HN 0.177 nan 8.370 nan 0.000 0.499 97 A N -0.344 122.457 122.820 -0.032 0.000 2.044 97 A HA 0.231 4.551 4.320 0.000 0.000 0.213 97 A C 0.715 178.267 177.584 -0.053 0.000 1.169 97 A CA 0.250 52.259 52.037 -0.047 0.000 0.724 97 A CB 0.403 19.364 19.000 -0.064 0.000 0.840 97 A HN 0.190 nan 8.150 nan 0.000 0.463 98 L N -0.712 120.487 121.223 -0.041 0.000 2.614 98 L HA 0.540 4.880 4.340 0.000 0.000 0.264 98 L C -1.289 175.596 176.870 0.025 0.000 0.940 98 L CA -0.586 54.227 54.840 -0.044 0.000 0.903 98 L CB 1.732 43.710 42.059 -0.134 0.000 1.306 98 L HN 0.167 nan 8.230 nan 0.000 0.410 99 L N 5.898 127.159 121.223 0.065 0.000 2.397 99 L HA 0.807 5.147 4.340 0.000 0.000 0.271 99 L C 1.076 178.059 176.870 0.189 0.000 1.148 99 L CA 1.801 56.699 54.840 0.096 0.000 0.825 99 L CB 0.782 42.885 42.059 0.073 0.000 1.117 99 L HN 1.047 nan 8.230 nan 0.000 0.456 100 G N 2.749 111.626 108.800 0.128 0.000 2.574 100 G HA2 -0.340 3.620 3.960 0.000 0.000 0.286 100 G HA3 -0.340 3.620 3.960 0.000 0.000 0.286 100 G C 0.175 175.184 174.900 0.182 0.000 1.212 100 G CA 0.291 45.456 45.100 0.109 0.000 0.979 100 G HN 1.436 nan 8.290 nan 0.000 0.557 101 H N -0.090 119.003 119.070 0.040 0.000 2.692 101 H HA -0.147 4.409 4.556 0.000 0.000 0.316 101 H C 1.629 176.980 175.328 0.038 0.000 1.176 101 H CA 1.267 57.338 56.048 0.039 0.000 1.142 101 H CB -1.047 28.730 29.762 0.025 0.000 1.475 101 H HN 0.639 nan 8.280 nan 0.000 0.423 102 E N 0.817 121.074 120.200 0.095 0.000 2.160 102 E HA -0.145 4.205 4.350 0.000 0.000 0.195 102 E C 1.934 178.585 176.600 0.085 0.000 0.991 102 E CA 1.522 57.974 56.400 0.085 0.000 0.810 102 E CB -0.029 29.712 29.700 0.069 0.000 0.742 102 E HN 0.727 nan 8.360 nan 0.000 0.466 103 D N 0.135 120.585 120.400 0.082 0.000 2.178 103 D HA -0.130 4.510 4.640 0.000 0.000 0.201 103 D C 1.662 178.012 176.300 0.083 0.000 0.980 103 D CA 1.411 55.459 54.000 0.079 0.000 0.842 103 D CB -0.416 40.428 40.800 0.074 0.000 0.948 103 D HN 0.194 nan 8.370 nan 0.000 0.472 104 A N 0.536 123.418 122.820 0.103 0.000 1.975 104 A HA -0.021 4.299 4.320 0.000 0.000 0.215 104 A C 2.127 179.747 177.584 0.060 0.000 1.170 104 A CA 0.803 52.887 52.037 0.079 0.000 0.656 104 A CB -0.269 18.783 19.000 0.086 0.000 0.821 104 A HN 0.166 nan 8.150 nan 0.000 0.449 105 K N -0.592 119.851 120.400 0.072 0.000 2.228 105 K HA -0.021 4.299 4.320 0.000 0.000 0.202 105 K C 1.883 178.526 176.600 0.071 0.000 1.051 105 K CA 1.303 57.625 56.287 0.059 0.000 0.960 105 K CB -0.241 32.297 32.500 0.065 0.000 0.743 105 K HN 0.390 nan 8.250 nan 0.000 0.458 106 T N 1.442 116.043 114.554 0.079 0.000 2.607 106 T HA -0.241 4.109 4.350 0.000 0.000 0.267 106 T C 2.043 176.802 174.700 0.098 0.000 1.049 106 T CA 1.799 63.952 62.100 0.087 0.000 1.162 106 T CB -0.345 68.570 68.868 0.078 0.000 0.863 106 T HN 0.358 nan 8.240 nan 0.000 0.424 107 A N 1.173 124.050 122.820 0.095 0.000 1.972 107 A HA -0.056 4.264 4.320 0.000 0.000 0.219 107 A C 2.230 179.877 177.584 0.105 0.000 1.169 107 A CA 1.129 53.233 52.037 0.111 0.000 0.635 107 A CB -0.621 18.449 19.000 0.117 0.000 0.810 107 A HN 0.411 nan 8.150 nan 0.000 0.446 108 I N 0.223 120.840 120.570 0.078 0.000 2.202 108 I HA -0.196 3.974 4.170 0.000 0.000 0.242 108 I C 2.176 178.342 176.117 0.083 0.000 1.091 108 I CA 2.059 63.393 61.300 0.056 0.000 1.368 108 I CB -1.560 36.453 38.000 0.021 0.000 1.058 108 I HN 0.457 nan 8.210 nan 0.000 0.410 109 D N 0.916 121.383 120.400 0.112 0.000 2.104 109 D HA -0.157 4.483 4.640 0.000 0.000 0.194 109 D C 2.208 178.684 176.300 0.293 0.000 0.994 109 D CA 1.298 55.407 54.000 0.182 0.000 0.830 109 D CB 0.205 41.128 40.800 0.206 0.000 0.959 109 D HN 0.054 nan 8.370 nan 0.000 0.452 110 V N 0.662 120.721 119.914 0.242 0.000 2.407 110 V HA -0.219 3.901 4.120 0.000 0.000 0.248 110 V C 2.531 178.778 176.094 0.255 0.000 1.055 110 V CA 1.746 64.199 62.300 0.256 0.000 1.049 110 V CB -0.926 30.995 31.823 0.163 0.000 0.662 110 V HN 0.378 nan 8.190 nan 0.000 0.455 111 A N -1.163 121.766 122.820 0.182 0.000 1.933 111 A HA -0.243 4.077 4.320 0.000 0.000 0.218 111 A C 2.345 180.000 177.584 0.118 0.000 1.175 111 A CA 2.083 54.200 52.037 0.134 0.000 0.628 111 A CB -1.020 18.011 19.000 0.052 0.000 0.814 111 A HN 0.592 nan 8.150 nan 0.000 0.444 112 C N -2.844 116.519 119.300 0.105 0.000 2.446 112 C HA -0.138 4.322 4.460 0.000 0.000 0.277 112 C C 2.360 177.388 174.990 0.063 0.000 1.275 112 C CA 0.550 59.582 59.018 0.023 0.000 1.727 112 C CB -1.717 25.983 27.740 -0.067 0.000 2.010 112 C HN 0.835 nan 8.230 nan 0.000 0.486 113 W N 1.048 122.415 121.300 0.112 0.000 2.363 113 W HA -0.105 4.555 4.660 0.000 0.000 0.296 113 W C 2.267 178.858 176.519 0.121 0.000 1.212 113 W CA 1.679 59.124 57.345 0.166 0.000 1.260 113 W CB -0.496 29.027 29.460 0.105 0.000 1.131 113 W HN 0.335 nan 8.180 nan 0.000 0.530 114 D N 0.204 120.787 120.400 0.305 0.000 2.097 114 D HA -0.188 4.452 4.640 0.000 0.000 0.195 114 D C 1.965 178.364 176.300 0.165 0.000 0.989 114 D CA 1.629 55.751 54.000 0.204 0.000 0.827 114 D CB -0.404 40.523 40.800 0.212 0.000 0.966 114 D HN 0.082 nan 8.370 nan 0.000 0.456 115 I N -0.032 120.624 120.570 0.144 0.000 2.163 115 I HA -0.252 3.918 4.170 0.000 0.000 0.243 115 I C 2.220 178.432 176.117 0.158 0.000 1.085 115 I CA 0.641 62.006 61.300 0.108 0.000 1.347 115 I CB -0.353 37.678 38.000 0.053 0.000 1.044 115 I HN 0.044 nan 8.210 nan 0.000 0.408 116 F N 2.109 122.031 119.950 -0.046 0.000 2.065 116 F HA -0.221 4.306 4.527 0.000 0.000 0.298 116 F C 2.328 178.117 175.800 -0.017 0.000 1.112 116 F CA 1.763 59.710 58.000 -0.088 0.000 1.212 116 F CB -1.310 37.549 39.000 -0.236 0.000 0.975 116 F HN 0.039 nan 8.300 nan 0.000 0.476 117 G N -0.039 108.763 108.800 0.004 0.000 2.422 117 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 117 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 117 G C 1.842 176.724 174.900 -0.030 0.000 1.146 117 G CA 0.809 45.841 45.100 -0.113 0.000 0.769 117 G HN 0.390 nan 8.290 nan 0.000 0.547 118 K N 0.875 121.299 120.400 0.040 0.000 2.057 118 K HA -0.076 4.244 4.320 0.000 0.000 0.206 118 K C 3.008 179.634 176.600 0.043 0.000 1.050 118 K CA 1.418 57.733 56.287 0.048 0.000 0.935 118 K CB -0.176 32.368 32.500 0.073 0.000 0.715 118 K HN 0.457 nan 8.250 nan 0.000 0.439 119 S N 0.907 116.647 115.700 0.066 0.000 2.399 119 S HA -0.108 4.362 4.470 0.000 0.000 0.231 119 S C 1.959 176.590 174.600 0.050 0.000 1.022 119 S CA 1.334 59.576 58.200 0.069 0.000 0.983 119 S CB -0.503 62.763 63.200 0.109 0.000 0.803 119 S HN 0.200 nan 8.310 nan 0.000 0.480 120 V N -2.818 117.110 119.914 0.024 0.000 3.578 120 V HA 0.684 4.804 4.120 0.000 0.000 0.290 120 V C 1.298 177.378 176.094 -0.024 0.000 1.376 120 V CA -0.019 62.279 62.300 -0.003 0.000 1.083 120 V CB -0.846 30.957 31.823 -0.033 0.000 0.911 120 V HN 0.821 nan 8.190 nan 0.000 0.433 121 G N 1.061 109.850 108.800 -0.019 0.000 2.221 121 G HA2 -0.225 3.735 3.960 0.000 0.000 0.265 121 G HA3 -0.225 3.735 3.960 0.000 0.000 0.265 121 G C -0.334 174.547 174.900 -0.031 0.000 1.041 121 G CA 0.783 45.874 45.100 -0.015 0.000 0.807 121 G HN 0.625 nan 8.290 nan 0.000 0.502 122 L N -0.767 120.420 121.223 -0.060 0.000 2.370 122 L HA 0.529 4.869 4.340 0.000 0.000 0.266 122 L C -2.297 174.532 176.870 -0.068 0.000 1.002 122 L CA -2.658 52.142 54.840 -0.067 0.000 0.818 122 L CB 2.570 44.567 42.059 -0.102 0.000 1.325 122 L HN -0.155 nan 8.230 nan 0.000 0.418 123 P HA 0.057 nan 4.420 nan 0.000 0.272 123 P C 0.819 178.061 177.300 -0.097 0.000 1.223 123 P CA -0.339 62.748 63.100 -0.021 0.000 0.784 123 P CB 0.921 32.674 31.700 0.089 0.000 0.923 124 V N 2.178 121.911 119.914 -0.301 0.000 2.332 124 V HA -0.309 3.811 4.120 0.000 0.000 0.248 124 V C 2.336 178.374 176.094 -0.093 0.000 1.055 124 V CA 2.657 64.816 62.300 -0.235 0.000 1.038 124 V CB -1.386 30.161 31.823 -0.460 0.000 0.651 124 V HN 0.830 nan 8.190 nan 0.000 0.450 125 C N -0.046 119.305 119.300 0.084 0.000 2.411 125 C HA -0.124 4.336 4.460 0.000 0.000 0.279 125 C C 2.414 177.424 174.990 0.033 0.000 1.288 125 C CA 0.664 59.743 59.018 0.102 0.000 1.764 125 C CB -1.174 26.673 27.740 0.179 0.000 1.974 125 C HN 0.573 nan 8.230 nan 0.000 0.498 126 E N 1.303 121.519 120.200 0.027 0.000 2.150 126 E HA -0.006 4.344 4.350 0.000 0.000 0.193 126 E C 2.142 178.747 176.600 0.008 0.000 0.985 126 E CA 0.948 57.352 56.400 0.006 0.000 0.814 126 E CB -0.398 29.296 29.700 -0.010 0.000 0.752 126 E HN 0.750 nan 8.360 nan 0.000 0.466 127 L N 0.248 121.476 121.223 0.009 0.000 2.492 127 L HA 0.030 4.370 4.340 0.000 0.000 0.223 127 L C 1.981 178.996 176.870 0.241 0.000 1.132 127 L CA 0.150 55.029 54.840 0.065 0.000 0.850 127 L CB -0.023 41.985 42.059 -0.085 0.000 0.966 127 L HN 0.011 nan 8.230 nan 0.000 0.454 128 L N -0.545 120.745 121.223 0.112 0.000 2.629 128 L HA 0.182 4.522 4.340 0.000 0.000 0.230 128 L C 1.284 178.182 176.870 0.048 0.000 1.151 128 L CA 0.566 55.428 54.840 0.036 0.000 0.924 128 L CB 0.065 42.016 42.059 -0.179 0.000 1.137 128 L HN 0.428 nan 8.230 nan 0.000 0.457 129 G N -1.130 107.707 108.800 0.061 0.000 2.336 129 G HA2 -0.002 3.958 3.960 0.000 0.000 0.194 129 G HA3 -0.002 3.958 3.960 0.000 0.000 0.194 129 G C 0.473 175.387 174.900 0.022 0.000 0.999 129 G CA -0.396 44.730 45.100 0.043 0.000 0.669 129 G HN 0.679 nan 8.290 nan 0.000 0.482 130 G N -0.190 108.619 108.800 0.015 0.000 2.885 130 G HA2 0.460 4.420 3.960 0.000 0.000 0.685 130 G HA3 0.460 4.420 3.960 0.000 0.000 0.685 130 G C -0.206 174.692 174.900 -0.003 0.000 1.216 130 G CA 0.318 45.422 45.100 0.005 0.000 0.790 130 G HN 1.520 nan 8.290 nan 0.000 0.631 131 R N 0.469 120.965 120.500 -0.006 0.000 2.543 131 R HA 0.628 4.968 4.340 0.000 0.000 0.277 131 R C 0.862 177.148 176.300 -0.022 0.000 1.074 131 R CA 0.171 56.261 56.100 -0.016 0.000 1.076 131 R CB 0.468 30.755 30.300 -0.020 0.000 0.993 131 R HN 0.881 nan 8.270 nan 0.000 0.459 132 T N -0.434 114.104 114.554 -0.028 0.000 2.788 132 T HA 0.059 4.409 4.350 0.000 0.000 0.280 132 T C 0.969 175.649 174.700 -0.034 0.000 0.984 132 T CA -0.606 61.477 62.100 -0.029 0.000 0.972 132 T CB 0.757 69.607 68.868 -0.030 0.000 1.039 132 T HN 0.824 nan 8.240 nan 0.000 0.530 133 N N -0.501 118.178 118.700 -0.035 0.000 2.268 133 N HA 0.067 4.807 4.740 0.000 0.000 0.204 133 N C 0.073 175.554 175.510 -0.049 0.000 1.124 133 N CA -0.398 52.628 53.050 -0.041 0.000 0.838 133 N CB -0.225 38.240 38.487 -0.037 0.000 0.994 133 N HN 0.810 nan 8.380 nan 0.000 0.489 134 T N -2.265 112.261 114.554 -0.047 0.000 2.940 134 T HA 0.538 4.888 4.350 0.000 0.000 0.288 134 T C 0.270 174.943 174.700 -0.045 0.000 1.033 134 T CA -0.911 61.157 62.100 -0.054 0.000 1.033 134 T CB 2.076 70.920 68.868 -0.040 0.000 1.079 134 T HN -0.021 nan 8.240 nan 0.000 0.496 135 R N 0.362 120.825 120.500 -0.061 0.000 2.649 135 R HA 0.503 4.843 4.340 0.000 0.000 0.270 135 R C -0.391 175.984 176.300 0.126 0.000 1.105 135 R CA -0.701 55.398 56.100 -0.002 0.000 1.193 135 R CB 0.314 30.548 30.300 -0.110 0.000 1.120 135 R HN 0.541 nan 8.270 nan 0.000 0.561 136 L N 2.602 123.935 121.223 0.183 0.000 2.276 136 L HA 0.387 4.727 4.340 0.000 0.000 0.286 136 L C -2.276 174.680 176.870 0.144 0.000 1.024 136 L CA -2.399 52.521 54.840 0.134 0.000 0.826 136 L CB 1.446 43.528 42.059 0.038 0.000 1.211 136 L HN 0.242 nan 8.230 nan 0.000 0.422 137 P HA 0.221 nan 4.420 nan 0.000 0.275 137 P C -0.607 176.486 177.300 -0.345 0.000 1.227 137 P CA -0.158 62.695 63.100 -0.412 0.000 0.781 137 P CB 0.765 32.320 31.700 -0.241 0.000 0.906 138 L N 3.273 124.171 121.223 -0.541 0.000 2.379 138 L HA 0.506 4.846 4.340 0.000 0.000 0.269 138 L C 0.591 177.291 176.870 -0.284 0.000 1.084 138 L CA -0.701 53.893 54.840 -0.411 0.000 0.802 138 L CB 0.798 42.457 42.059 -0.666 0.000 1.175 138 L HN 0.319 nan 8.230 nan 0.000 0.448 139 I N 0.964 121.475 120.570 -0.097 0.000 2.441 139 I HA 0.305 4.475 4.170 0.000 0.000 0.295 139 I C 0.417 176.511 176.117 -0.038 0.000 0.994 139 I CA -0.190 61.081 61.300 -0.049 0.000 1.144 139 I CB 1.861 39.815 38.000 -0.076 0.000 1.314 139 I HN 0.808 nan 8.210 nan 0.000 0.445 140 S N 4.398 119.957 115.700 -0.236 0.000 2.645 140 S HA 0.386 4.856 4.470 0.000 0.000 0.266 140 S C -0.172 174.062 174.600 -0.611 0.000 1.258 140 S CA -0.550 57.184 58.200 -0.776 0.000 0.990 140 S CB 1.581 63.886 63.200 -1.493 0.000 0.967 140 S HN 0.604 nan 8.310 nan 0.000 0.556 141 S N 0.951 116.221 115.700 -0.717 0.000 2.718 141 S HA 0.449 4.919 4.470 0.000 0.000 0.294 141 S C -0.841 173.367 174.600 -0.654 0.000 1.157 141 S CA -0.837 57.009 58.200 -0.590 0.000 1.121 141 S CB -0.302 62.562 63.200 -0.560 0.000 1.015 141 S HN 0.583 nan 8.310 nan 0.000 0.479 142 I N 6.245 126.547 120.570 -0.447 0.000 2.276 142 I HA 0.245 4.415 4.170 0.000 0.000 0.290 142 I C -0.333 175.691 176.117 -0.154 0.000 1.109 142 I CA -0.581 60.571 61.300 -0.247 0.000 1.229 142 I CB -1.043 36.884 38.000 -0.122 0.000 1.452 142 I HN 0.536 nan 8.210 nan 0.000 0.497 143 Y N 3.845 124.196 120.300 0.086 0.000 2.652 143 Y HA 0.011 4.561 4.550 0.000 0.000 0.344 143 Y C 1.147 177.092 175.900 0.074 0.000 1.254 143 Y CA -0.034 58.134 58.100 0.113 0.000 1.480 143 Y CB 0.139 38.707 38.460 0.179 0.000 1.345 143 Y HN 0.200 nan 8.280 nan 0.000 0.617 144 V N 2.581 122.643 119.914 0.247 0.000 2.694 144 V HA 0.379 4.499 4.120 0.000 0.000 0.306 144 V C 0.753 176.915 176.094 0.113 0.000 1.054 144 V CA 1.113 63.491 62.300 0.130 0.000 1.161 144 V CB -0.051 31.831 31.823 0.097 0.000 0.916 144 V HN 1.005 nan 8.190 nan 0.000 0.490 145 G N 3.771 112.614 108.800 0.071 0.000 2.490 145 G HA2 0.403 4.363 3.960 0.000 0.000 0.308 145 G HA3 0.403 4.363 3.960 0.000 0.000 0.308 145 G C -1.154 173.764 174.900 0.030 0.000 1.286 145 G CA -0.722 44.411 45.100 0.055 0.000 0.825 145 G HN 0.433 nan 8.290 nan 0.000 0.479 146 E N 0.655 120.869 120.200 0.023 0.000 2.392 146 E HA 0.167 4.517 4.350 0.000 0.000 0.264 146 E C -1.458 175.148 176.600 0.010 0.000 1.024 146 E CA -1.421 54.986 56.400 0.011 0.000 0.903 146 E CB 1.464 31.169 29.700 0.008 0.000 0.963 146 E HN 0.006 nan 8.360 nan 0.000 0.432 147 P HA -0.221 nan 4.420 nan 0.000 0.217 147 P C 0.764 178.064 177.300 0.000 0.000 1.162 147 P CA 1.668 64.764 63.100 -0.006 0.000 0.901 147 P CB 0.300 31.993 31.700 -0.013 0.000 0.793 148 E N -0.982 119.219 120.200 0.002 0.000 2.110 148 E HA -0.210 4.140 4.350 0.000 0.000 0.193 148 E C 1.823 178.431 176.600 0.014 0.000 0.988 148 E CA 1.448 57.851 56.400 0.005 0.000 0.804 148 E CB -0.826 28.876 29.700 0.004 0.000 0.745 148 E HN 0.338 nan 8.360 nan 0.000 0.458 149 D N 0.066 120.477 120.400 0.019 0.000 2.117 149 D HA -0.148 4.492 4.640 0.000 0.000 0.197 149 D C 1.816 178.140 176.300 0.040 0.000 0.987 149 D CA 1.270 55.288 54.000 0.030 0.000 0.829 149 D CB 0.025 40.847 40.800 0.036 0.000 0.961 149 D HN 0.114 nan 8.370 nan 0.000 0.460 150 M N -0.458 119.164 119.600 0.037 0.000 2.132 150 M HA -0.087 4.393 4.480 0.000 0.000 0.263 150 M C 2.513 178.839 176.300 0.043 0.000 1.065 150 M CA 1.124 56.450 55.300 0.043 0.000 1.122 150 M CB -0.267 32.349 32.600 0.027 0.000 1.365 150 M HN 0.007 nan 8.290 nan 0.000 0.411 151 R N 0.665 121.183 120.500 0.029 0.000 2.096 151 R HA -0.127 4.213 4.340 0.000 0.000 0.235 151 R C 2.144 178.468 176.300 0.041 0.000 1.127 151 R CA 1.581 57.700 56.100 0.032 0.000 0.968 151 R CB -0.208 30.099 30.300 0.011 0.000 0.861 151 R HN 0.357 nan 8.270 nan 0.000 0.440 152 A N 0.968 123.807 122.820 0.031 0.000 1.873 152 A HA -0.131 4.189 4.320 0.000 0.000 0.215 152 A C 2.151 179.752 177.584 0.029 0.000 1.186 152 A CA 1.276 53.328 52.037 0.025 0.000 0.616 152 A CB -0.411 18.599 19.000 0.016 0.000 0.823 152 A HN 0.332 nan 8.150 nan 0.000 0.442 153 R N -0.722 119.806 120.500 0.046 0.000 2.148 153 R HA -0.047 4.293 4.340 0.000 0.000 0.227 153 R C 1.929 178.306 176.300 0.129 0.000 1.103 153 R CA 1.204 57.341 56.100 0.063 0.000 0.983 153 R CB -0.351 30.008 30.300 0.099 0.000 0.874 153 R HN 0.412 nan 8.270 nan 0.000 0.451 154 V N 0.604 120.589 119.914 0.120 0.000 2.379 154 V HA -0.191 3.929 4.120 0.000 0.000 0.245 154 V C 2.375 178.547 176.094 0.130 0.000 1.044 154 V CA 1.884 64.273 62.300 0.148 0.000 1.036 154 V CB -0.520 31.407 31.823 0.173 0.000 0.664 154 V HN 0.374 nan 8.190 nan 0.000 0.453 155 A N -0.270 122.602 122.820 0.085 0.000 1.933 155 A HA -0.265 4.055 4.320 0.000 0.000 0.218 155 A C 2.334 179.931 177.584 0.022 0.000 1.175 155 A CA 2.156 54.228 52.037 0.059 0.000 0.628 155 A CB -0.469 18.553 19.000 0.038 0.000 0.814 155 A HN 0.521 nan 8.150 nan 0.000 0.444 156 K N -1.742 118.642 120.400 -0.027 0.000 2.057 156 K HA -0.180 4.140 4.320 0.000 0.000 0.207 156 K C 1.763 178.245 176.600 -0.196 0.000 1.049 156 K CA 1.684 57.892 56.287 -0.132 0.000 0.931 156 K CB -0.313 32.053 32.500 -0.223 0.000 0.714 156 K HN 0.518 nan 8.250 nan 0.000 0.440 157 Y N 0.757 120.961 120.300 -0.161 0.000 2.263 157 Y HA -0.100 4.450 4.550 0.000 0.000 0.292 157 Y C 2.528 178.367 175.900 -0.101 0.000 1.130 157 Y CA 1.527 59.450 58.100 -0.296 0.000 1.179 157 Y CB -0.182 38.008 38.460 -0.450 0.000 0.998 157 Y HN 0.090 nan 8.280 nan 0.000 0.532 158 R N 0.373 120.945 120.500 0.120 0.000 2.091 158 R HA -0.186 4.154 4.340 0.000 0.000 0.238 158 R C 2.237 178.602 176.300 0.109 0.000 1.136 158 R CA 1.397 57.572 56.100 0.124 0.000 0.959 158 R CB -0.421 29.949 30.300 0.116 0.000 0.856 158 R HN 0.281 nan 8.270 nan 0.000 0.437 159 A N 0.857 123.716 122.820 0.065 0.000 2.015 159 A HA -0.083 4.237 4.320 0.000 0.000 0.219 159 A C 1.604 179.229 177.584 0.068 0.000 1.163 159 A CA 1.160 53.227 52.037 0.051 0.000 0.646 159 A CB -0.135 18.873 19.000 0.013 0.000 0.806 159 A HN 0.322 nan 8.150 nan 0.000 0.448 160 K N -1.116 119.335 120.400 0.085 0.000 2.505 160 K HA 0.214 4.534 4.320 0.000 0.000 0.192 160 K C 1.030 177.787 176.600 0.262 0.000 1.025 160 K CA 0.442 56.820 56.287 0.151 0.000 1.086 160 K CB -0.080 32.493 32.500 0.122 0.000 0.840 160 K HN 0.619 nan 8.250 nan 0.000 0.514 161 G N 0.785 109.717 108.800 0.221 0.000 2.176 161 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 161 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 161 G C -0.227 174.742 174.900 0.115 0.000 0.979 161 G CA -0.268 44.940 45.100 0.180 0.000 0.641 161 G HN 0.225 nan 8.290 nan 0.000 0.530 162 Y N 0.668 120.947 120.300 -0.036 0.000 2.511 162 Y HA 0.435 4.985 4.550 0.000 0.000 0.332 162 Y C 1.563 177.389 175.900 -0.123 0.000 1.177 162 Y CA 0.175 58.201 58.100 -0.123 0.000 1.422 162 Y CB 0.857 39.283 38.460 -0.057 0.000 1.271 162 Y HN -0.068 nan 8.280 nan 0.000 0.550 163 K N 1.781 122.126 120.400 -0.091 0.000 2.374 163 K HA 0.287 4.607 4.320 0.000 0.000 0.202 163 K C 0.332 176.905 176.600 -0.046 0.000 1.040 163 K CA 0.168 56.434 56.287 -0.035 0.000 1.085 163 K CB 0.952 33.445 32.500 -0.012 0.000 0.873 163 K HN 0.759 nan 8.250 nan 0.000 0.539 164 G N 0.935 109.680 108.800 -0.091 0.000 2.590 164 G HA2 0.497 4.457 3.960 0.000 0.000 0.310 164 G HA3 0.497 4.457 3.960 0.000 0.000 0.310 164 G C -0.950 173.795 174.900 -0.258 0.000 1.347 164 G CA -0.321 44.714 45.100 -0.108 0.000 0.963 164 G HN -0.128 nan 8.290 nan 0.000 0.494 165 Q N 0.587 120.095 119.800 -0.487 0.000 2.285 165 Q HA 0.423 4.763 4.340 0.000 0.000 0.269 165 Q C -1.132 174.604 176.000 -0.441 0.000 1.030 165 Q CA -0.694 54.747 55.803 -0.603 0.000 0.788 165 Q CB 2.391 30.488 28.738 -1.068 0.000 1.266 165 Q HN 0.502 nan 8.270 nan 0.000 0.438 166 S N 2.231 117.737 115.700 -0.323 0.000 2.520 166 S HA 0.424 4.894 4.470 0.000 0.000 0.324 166 S C -0.484 173.999 174.600 -0.195 0.000 1.069 166 S CA -0.443 57.623 58.200 -0.223 0.000 1.121 166 S CB 0.418 63.497 63.200 -0.203 0.000 0.971 166 S HN 0.354 nan 8.310 nan 0.000 0.463 167 V N 7.211 127.049 119.914 -0.127 0.000 2.385 167 V HA 0.358 4.478 4.120 0.000 0.000 0.269 167 V C 0.295 176.329 176.094 -0.099 0.000 1.043 167 V CA -0.521 61.722 62.300 -0.096 0.000 0.906 167 V CB 0.889 32.674 31.823 -0.063 0.000 0.995 167 V HN 0.755 nan 8.190 nan 0.000 0.467 168 K N 5.740 126.101 120.400 -0.066 0.000 2.098 168 K HA 0.722 5.042 4.320 0.000 0.000 0.261 168 K C -0.368 176.223 176.600 -0.014 0.000 0.987 168 K CA -0.497 55.773 56.287 -0.029 0.000 0.916 168 K CB 1.892 34.419 32.500 0.046 0.000 1.039 168 K HN 0.712 nan 8.250 nan 0.000 0.455 169 I N -2.692 117.870 120.570 -0.014 0.000 3.206 169 I HA 0.329 4.499 4.170 0.000 0.000 0.313 169 I C 0.911 177.039 176.117 0.019 0.000 1.103 169 I CA -0.815 60.478 61.300 -0.012 0.000 0.985 169 I CB 2.122 40.095 38.000 -0.045 0.000 1.240 169 I HN 0.635 nan 8.210 nan 0.000 0.464 170 S N 0.536 116.246 115.700 0.016 0.000 2.441 170 S HA 0.388 4.858 4.470 0.000 0.000 0.224 170 S C 1.392 176.008 174.600 0.027 0.000 1.043 170 S CA 0.577 58.794 58.200 0.030 0.000 0.948 170 S CB 0.284 63.495 63.200 0.019 0.000 0.810 170 S HN 1.786 nan 8.310 nan 0.000 0.504 171 G N 0.546 109.352 108.800 0.011 0.000 2.198 171 G HA2 -0.081 3.879 3.960 0.000 0.000 0.156 171 G HA3 -0.081 3.879 3.960 0.000 0.000 0.156 171 G C -0.518 174.385 174.900 0.006 0.000 1.012 171 G CA -0.292 44.815 45.100 0.011 0.000 0.692 171 G HN 0.386 nan 8.290 nan 0.000 0.492 172 E N 1.412 121.613 120.200 0.002 0.000 2.063 172 E HA 0.292 4.642 4.350 0.000 0.000 0.265 172 E C -1.341 175.256 176.600 -0.005 0.000 0.919 172 E CA -1.856 54.544 56.400 -0.001 0.000 0.756 172 E CB 2.070 31.769 29.700 -0.002 0.000 1.120 172 E HN 0.236 nan 8.360 nan 0.000 0.414 173 P HA -0.229 nan 4.420 nan 0.000 0.217 173 P C 1.404 178.700 177.300 -0.008 0.000 1.158 173 P CA 1.024 64.121 63.100 -0.005 0.000 0.887 173 P CB 0.392 32.092 31.700 0.000 0.000 0.792 174 V N 0.273 120.183 119.914 -0.006 0.000 2.261 174 V HA -0.195 3.925 4.120 0.000 0.000 0.246 174 V C 2.741 178.829 176.094 -0.011 0.000 1.047 174 V CA 2.769 65.065 62.300 -0.007 0.000 1.015 174 V CB -1.964 29.856 31.823 -0.005 0.000 0.642 174 V HN 0.185 nan 8.190 nan 0.000 0.446 175 T N -0.591 113.956 114.554 -0.012 0.000 2.821 175 T HA -0.156 4.194 4.350 0.000 0.000 0.267 175 T C 1.649 176.336 174.700 -0.022 0.000 1.046 175 T CA 1.466 63.558 62.100 -0.014 0.000 1.139 175 T CB -0.358 68.503 68.868 -0.011 0.000 0.871 175 T HN 0.452 nan 8.240 nan 0.000 0.454 176 D N 1.454 121.840 120.400 -0.025 0.000 2.144 176 D HA 0.003 4.643 4.640 0.000 0.000 0.199 176 D C 2.336 178.602 176.300 -0.057 0.000 0.984 176 D CA 1.068 55.044 54.000 -0.041 0.000 0.834 176 D CB -0.366 40.410 40.800 -0.040 0.000 0.955 176 D HN 0.400 nan 8.370 nan 0.000 0.465 177 A N 1.112 123.907 122.820 -0.041 0.000 1.933 177 A HA -0.205 4.115 4.320 0.000 0.000 0.218 177 A C 2.061 179.618 177.584 -0.045 0.000 1.175 177 A CA 1.394 53.407 52.037 -0.040 0.000 0.628 177 A CB -0.310 18.680 19.000 -0.017 0.000 0.814 177 A HN 0.162 nan 8.150 nan 0.000 0.444 178 K N -0.748 119.631 120.400 -0.035 0.000 2.155 178 K HA -0.041 4.279 4.320 0.000 0.000 0.203 178 K C 2.274 178.849 176.600 -0.043 0.000 1.052 178 K CA 1.088 57.355 56.287 -0.033 0.000 0.948 178 K CB -0.120 32.367 32.500 -0.022 0.000 0.728 178 K HN 0.379 nan 8.250 nan 0.000 0.448 179 R N 0.812 121.283 120.500 -0.048 0.000 2.073 179 R HA -0.041 4.299 4.340 0.000 0.000 0.234 179 R C 2.313 178.563 176.300 -0.084 0.000 1.134 179 R CA 1.350 57.419 56.100 -0.052 0.000 0.952 179 R CB -0.347 29.926 30.300 -0.045 0.000 0.850 179 R HN 0.140 nan 8.270 nan 0.000 0.433 180 I N 0.122 120.617 120.570 -0.126 0.000 2.226 180 I HA -0.261 3.909 4.170 0.000 0.000 0.245 180 I C 2.070 178.084 176.117 -0.172 0.000 1.100 180 I CA 1.362 62.540 61.300 -0.202 0.000 1.374 180 I CB -0.470 37.345 38.000 -0.308 0.000 1.057 180 I HN 0.201 nan 8.210 nan 0.000 0.413 181 T N 0.770 115.254 114.554 -0.116 0.000 2.720 181 T HA -0.179 4.171 4.350 0.000 0.000 0.268 181 T C 2.007 176.655 174.700 -0.087 0.000 1.037 181 T CA 1.583 63.630 62.100 -0.088 0.000 1.144 181 T CB -0.264 68.574 68.868 -0.051 0.000 0.864 181 T HN 0.497 nan 8.240 nan 0.000 0.444 182 A N 1.259 124.036 122.820 -0.071 0.000 1.872 182 A HA 0.341 4.661 4.320 0.000 0.000 0.214 182 A C 2.645 180.194 177.584 -0.060 0.000 1.187 182 A CA 1.487 53.493 52.037 -0.053 0.000 0.614 182 A CB -1.073 17.908 19.000 -0.032 0.000 0.826 182 A HN 0.479 nan 8.150 nan 0.000 0.442 183 A N -0.907 121.873 122.820 -0.067 0.000 1.978 183 A HA 0.020 4.340 4.320 0.000 0.000 0.220 183 A C 1.634 179.151 177.584 -0.112 0.000 1.170 183 A CA 1.577 53.592 52.037 -0.037 0.000 0.636 183 A CB -0.345 18.644 19.000 -0.018 0.000 0.810 183 A HN 0.395 nan 8.150 nan 0.000 0.448 184 L N -1.062 120.003 121.223 -0.264 0.000 2.667 184 L HA 0.320 4.660 4.340 0.000 0.000 0.232 184 L C 2.388 179.083 176.870 -0.291 0.000 1.138 184 L CA 0.736 55.270 54.840 -0.509 0.000 0.921 184 L CB -0.488 41.228 42.059 -0.571 0.000 1.180 184 L HN 0.321 nan 8.230 nan 0.000 0.487 185 A N 0.673 123.401 122.820 -0.154 0.000 1.915 185 A HA -0.258 4.062 4.320 0.000 0.000 0.220 185 A C 1.441 178.982 177.584 -0.072 0.000 1.198 185 A CA 2.312 54.296 52.037 -0.089 0.000 0.647 185 A CB -0.592 18.379 19.000 -0.048 0.000 0.825 185 A HN 0.573 nan 8.150 nan 0.000 0.456 186 N N -0.155 118.513 118.700 -0.053 0.000 2.458 186 N HA 0.233 4.973 4.740 0.000 0.000 0.274 186 N C -0.553 174.960 175.510 0.005 0.000 1.242 186 N CA -0.086 52.956 53.050 -0.013 0.000 0.904 186 N CB 0.505 39.004 38.487 0.020 0.000 1.206 186 N HN 0.750 nan 8.380 nan 0.000 0.510 187 Q N -0.051 119.702 119.800 -0.079 0.000 2.330 187 Q HA 0.102 4.442 4.340 0.000 0.000 0.279 187 Q C -0.424 175.618 176.000 0.070 0.000 1.024 187 Q CA -0.024 55.768 55.803 -0.017 0.000 0.900 187 Q CB 0.800 29.316 28.738 -0.369 0.000 1.221 187 Q HN 0.118 nan 8.270 nan 0.000 0.396 188 Q N 2.647 122.545 119.800 0.162 0.000 2.193 188 Q HA 0.219 4.559 4.340 0.000 0.000 0.246 188 Q C -1.785 174.294 176.000 0.132 0.000 0.959 188 Q CA -2.274 53.603 55.803 0.125 0.000 0.904 188 Q CB 0.750 29.564 28.738 0.126 0.000 1.238 188 Q HN 0.516 nan 8.270 nan 0.000 0.469 189 P HA -0.175 nan 4.420 nan 0.000 0.216 189 P C 0.302 177.671 177.300 0.115 0.000 1.150 189 P CA 1.534 64.691 63.100 0.094 0.000 0.843 189 P CB 0.208 31.950 31.700 0.070 0.000 0.787 190 D N -1.502 118.969 120.400 0.119 0.000 2.325 190 D HA -0.007 4.633 4.640 0.000 0.000 0.225 190 D C 0.034 176.426 176.300 0.152 0.000 1.096 190 D CA 0.077 54.152 54.000 0.125 0.000 0.844 190 D CB -0.592 40.275 40.800 0.111 0.000 0.925 190 D HN 0.225 nan 8.370 nan 0.000 0.513 191 E N -0.127 120.186 120.200 0.188 0.000 2.204 191 E HA 0.376 4.726 4.350 0.000 0.000 0.276 191 E C -1.187 175.583 176.600 0.283 0.000 0.974 191 E CA -0.954 55.565 56.400 0.199 0.000 0.815 191 E CB 1.625 31.470 29.700 0.242 0.000 1.119 191 E HN 0.040 nan 8.360 nan 0.000 0.393 192 F N 3.075 123.032 119.950 0.013 0.000 2.375 192 F HA 0.392 4.919 4.527 0.000 0.000 0.361 192 F C -1.422 174.343 175.800 -0.058 0.000 1.117 192 F CA -0.957 57.065 58.000 0.036 0.000 1.037 192 F CB 0.347 39.343 39.000 -0.007 0.000 1.192 192 F HN 0.343 nan 8.300 nan 0.000 0.452 193 F N 6.468 126.158 119.950 -0.433 0.000 2.420 193 F HA 0.584 5.111 4.527 0.000 0.000 0.342 193 F C -0.521 174.995 175.800 -0.473 0.000 1.113 193 F CA -0.654 57.145 58.000 -0.335 0.000 1.059 193 F CB 1.287 40.201 39.000 -0.144 0.000 1.128 193 F HN 0.157 nan 8.300 nan 0.000 0.475 194 I N 3.531 123.989 120.570 -0.187 0.000 2.509 194 I HA 0.384 4.554 4.170 0.000 0.000 0.293 194 I C -0.869 175.204 176.117 -0.073 0.000 1.020 194 I CA -0.728 60.493 61.300 -0.132 0.000 1.088 194 I CB 1.964 39.891 38.000 -0.121 0.000 1.267 194 I HN 0.128 nan 8.210 nan 0.000 0.430 195 V N 4.671 124.556 119.914 -0.048 0.000 2.328 195 V HA 0.339 4.459 4.120 0.000 0.000 0.278 195 V C -0.661 175.384 176.094 -0.081 0.000 1.021 195 V CA -0.499 61.706 62.300 -0.158 0.000 0.838 195 V CB 1.369 32.960 31.823 -0.387 0.000 0.999 195 V HN 0.611 nan 8.190 nan 0.000 0.447 196 D N 4.189 124.529 120.400 -0.099 0.000 2.373 196 D HA 0.494 5.134 4.640 0.000 0.000 0.227 196 D C 0.598 176.837 176.300 -0.103 0.000 1.091 196 D CA -0.234 53.705 54.000 -0.101 0.000 0.840 196 D CB 2.151 42.877 40.800 -0.124 0.000 1.060 196 D HN 0.547 nan 8.370 nan 0.000 0.502 197 A N 3.701 126.463 122.820 -0.097 0.000 2.238 197 A HA 0.055 4.375 4.320 0.000 0.000 0.210 197 A C 0.893 178.409 177.584 -0.114 0.000 1.179 197 A CA -0.036 51.952 52.037 -0.082 0.000 0.827 197 A CB -0.563 18.402 19.000 -0.058 0.000 0.856 197 A HN 0.809 nan 8.150 nan 0.000 0.488 198 N N -1.201 117.379 118.700 -0.199 0.000 2.710 198 N HA -0.211 4.529 4.740 0.000 0.000 0.249 198 N C 0.765 176.173 175.510 -0.169 0.000 1.059 198 N CA 0.909 53.756 53.050 -0.339 0.000 0.720 198 N CB -1.446 36.608 38.487 -0.721 0.000 0.983 198 N HN 1.161 nan 8.380 nan 0.000 0.544 199 G N -0.769 107.964 108.800 -0.111 0.000 2.187 199 G HA2 -0.416 3.544 3.960 0.000 0.000 0.261 199 G HA3 -0.416 3.544 3.960 0.000 0.000 0.261 199 G C 0.803 175.703 174.900 -0.000 0.000 1.000 199 G CA 0.994 46.060 45.100 -0.057 0.000 0.718 199 G HN 0.581 nan 8.290 nan 0.000 0.519 200 K N -0.840 119.566 120.400 0.011 0.000 2.432 200 K HA 0.265 4.585 4.320 0.000 0.000 0.196 200 K C 1.092 177.704 176.600 0.019 0.000 1.038 200 K CA 0.229 56.541 56.287 0.042 0.000 0.986 200 K CB 0.196 32.733 32.500 0.062 0.000 0.782 200 K HN 0.446 nan 8.250 nan 0.000 0.485 201 L N 1.522 122.745 121.223 -0.002 0.000 2.325 201 L HA 0.159 4.499 4.340 0.000 0.000 0.279 201 L C 0.588 177.455 176.870 -0.004 0.000 1.054 201 L CA -0.745 54.094 54.840 -0.003 0.000 0.804 201 L CB 1.485 43.538 42.059 -0.010 0.000 1.200 201 L HN 0.026 nan 8.230 nan 0.000 0.436 202 S N 1.169 116.871 115.700 0.002 0.000 2.681 202 S HA 0.300 4.770 4.470 0.000 0.000 0.270 202 S C 1.065 175.665 174.600 0.001 0.000 1.209 202 S CA -0.914 57.288 58.200 0.003 0.000 0.988 202 S CB 1.591 64.796 63.200 0.008 0.000 1.006 202 S HN 0.305 nan 8.310 nan 0.000 0.558 203 V N 1.043 120.958 119.914 0.003 0.000 2.407 203 V HA -0.158 3.962 4.120 0.000 0.000 0.248 203 V C 2.771 178.869 176.094 0.006 0.000 1.055 203 V CA 2.302 64.604 62.300 0.003 0.000 1.049 203 V CB -1.248 30.580 31.823 0.008 0.000 0.662 203 V HN 1.029 nan 8.190 nan 0.000 0.455 204 E N 0.200 120.405 120.200 0.008 0.000 2.038 204 E HA -0.243 4.107 4.350 0.000 0.000 0.195 204 E C 2.236 178.841 176.600 0.007 0.000 1.000 204 E CA 2.063 58.468 56.400 0.008 0.000 0.803 204 E CB -0.157 29.548 29.700 0.009 0.000 0.750 204 E HN 0.611 nan 8.360 nan 0.000 0.448 205 T N 0.617 115.174 114.554 0.006 0.000 2.821 205 T HA -0.087 4.263 4.350 0.000 0.000 0.267 205 T C 1.818 176.522 174.700 0.006 0.000 1.046 205 T CA 1.142 63.245 62.100 0.006 0.000 1.139 205 T CB -0.253 68.618 68.868 0.005 0.000 0.871 205 T HN 0.337 nan 8.240 nan 0.000 0.454 206 A N 1.362 124.185 122.820 0.005 0.000 1.877 206 A HA 0.008 4.328 4.320 0.000 0.000 0.216 206 A C 2.291 179.884 177.584 0.015 0.000 1.186 206 A CA 1.206 53.248 52.037 0.008 0.000 0.620 206 A CB -0.841 18.160 19.000 0.002 0.000 0.822 206 A HN 0.470 nan 8.150 nan 0.000 0.443 207 L N -1.200 120.030 121.223 0.012 0.000 2.046 207 L HA -0.185 4.155 4.340 0.000 0.000 0.208 207 L C 2.876 179.755 176.870 0.015 0.000 1.077 207 L CA 1.444 56.292 54.840 0.014 0.000 0.747 207 L CB -0.502 41.564 42.059 0.011 0.000 0.896 207 L HN 0.351 nan 8.230 nan 0.000 0.432 208 R N -0.290 120.217 120.500 0.013 0.000 2.091 208 R HA -0.204 4.136 4.340 0.000 0.000 0.238 208 R C 2.224 178.533 176.300 0.014 0.000 1.136 208 R CA 1.447 57.554 56.100 0.012 0.000 0.959 208 R CB -0.574 29.731 30.300 0.008 0.000 0.856 208 R HN 0.183 nan 8.270 nan 0.000 0.437 209 L N 1.217 122.449 121.223 0.015 0.000 1.994 209 L HA -0.150 4.190 4.340 0.000 0.000 0.208 209 L C 1.963 178.855 176.870 0.036 0.000 1.071 209 L CA 1.710 56.560 54.840 0.018 0.000 0.745 209 L CB -0.540 41.527 42.059 0.014 0.000 0.892 209 L HN 0.132 nan 8.230 nan 0.000 0.431 210 L N -0.719 120.532 121.223 0.047 0.000 2.042 210 L HA -0.221 4.119 4.340 0.000 0.000 0.210 210 L C 2.751 179.648 176.870 0.044 0.000 1.076 210 L CA 1.526 56.403 54.840 0.062 0.000 0.749 210 L CB -0.527 41.561 42.059 0.047 0.000 0.893 210 L HN 0.262 nan 8.230 nan 0.000 0.432 211 R N -0.292 120.226 120.500 0.030 0.000 2.148 211 R HA -0.066 4.274 4.340 0.000 0.000 0.227 211 R C 2.201 178.517 176.300 0.026 0.000 1.103 211 R CA 0.868 56.983 56.100 0.025 0.000 0.983 211 R CB -0.166 30.145 30.300 0.018 0.000 0.874 211 R HN 0.335 nan 8.270 nan 0.000 0.451 212 L N 0.651 121.889 121.223 0.025 0.000 2.240 212 L HA 0.032 4.372 4.340 0.000 0.000 0.211 212 L C 0.608 177.493 176.870 0.025 0.000 1.106 212 L CA 0.122 54.974 54.840 0.020 0.000 0.793 212 L CB -0.046 42.021 42.059 0.012 0.000 0.927 212 L HN 0.113 nan 8.230 nan 0.000 0.446 213 L N 1.734 122.980 121.223 0.038 0.000 2.490 213 L HA 0.087 4.427 4.340 0.000 0.000 0.274 213 L C -1.669 175.231 176.870 0.049 0.000 1.201 213 L CA -1.338 53.531 54.840 0.047 0.000 0.869 213 L CB -0.147 41.967 42.059 0.091 0.000 1.123 213 L HN -0.035 nan 8.230 nan 0.000 0.484 214 P HA 0.061 nan 4.420 nan 0.000 0.276 214 P C -0.756 176.591 177.300 0.077 0.000 1.244 214 P CA -0.435 62.700 63.100 0.059 0.000 0.801 214 P CB 0.642 32.366 31.700 0.041 0.000 1.006 215 H N 0.241 119.314 119.070 0.005 0.000 2.771 215 H HA 0.190 4.746 4.556 0.000 0.000 0.364 215 H C 1.212 176.538 175.328 -0.002 0.000 1.133 215 H CA 1.751 57.799 56.048 -0.000 0.000 1.423 215 H CB 0.295 30.054 29.762 -0.006 0.000 1.425 215 H HN 0.820 nan 8.280 nan 0.000 0.606 216 G N 3.708 112.116 108.800 -0.654 0.000 2.179 216 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 216 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 216 G C 0.106 174.900 174.900 -0.176 0.000 0.990 216 G CA 0.126 45.026 45.100 -0.334 0.000 0.646 216 G HN 0.575 nan 8.290 nan 0.000 0.517 217 L N 1.820 122.969 121.223 -0.124 0.000 2.278 217 L HA 0.474 4.814 4.340 0.000 0.000 0.287 217 L C -0.185 176.684 176.870 -0.001 0.000 1.072 217 L CA -0.569 54.267 54.840 -0.006 0.000 0.819 217 L CB 1.141 43.281 42.059 0.134 0.000 1.176 217 L HN 0.174 nan 8.230 nan 0.000 0.435 218 D N 5.136 125.525 120.400 -0.019 0.000 2.396 218 D HA 0.497 5.137 4.640 0.000 0.000 0.225 218 D C -0.796 175.543 176.300 0.065 0.000 1.121 218 D CA -0.071 53.896 54.000 -0.054 0.000 0.853 218 D CB 0.417 41.192 40.800 -0.042 0.000 1.043 218 D HN 0.244 nan 8.370 nan 0.000 0.500 219 F N 1.355 121.232 119.950 -0.122 0.000 2.817 219 F HA 0.803 5.330 4.527 0.000 0.000 0.317 219 F C -1.751 173.955 175.800 -0.156 0.000 1.168 219 F CA -1.464 56.442 58.000 -0.156 0.000 0.911 219 F CB 0.671 39.601 39.000 -0.116 0.000 1.337 219 F HN 0.248 nan 8.300 nan 0.000 0.464 220 A N 1.447 124.257 122.820 -0.016 0.000 2.355 220 A HA 0.769 5.089 4.320 0.000 0.000 0.324 220 A C -1.935 175.757 177.584 0.180 0.000 1.117 220 A CA -0.800 51.217 52.037 -0.034 0.000 0.785 220 A CB 1.536 20.527 19.000 -0.016 0.000 1.254 220 A HN 1.002 nan 8.150 nan 0.000 0.453 221 L N 1.302 122.598 121.223 0.122 0.000 2.255 221 L HA 0.466 4.806 4.340 0.000 0.000 0.289 221 L C 0.116 177.016 176.870 0.049 0.000 1.046 221 L CA 0.079 55.010 54.840 0.151 0.000 0.816 221 L CB 0.849 42.994 42.059 0.144 0.000 1.197 221 L HN 0.785 nan 8.230 nan 0.000 0.427 222 E N 4.866 125.075 120.200 0.016 0.000 2.197 222 E HA 0.557 4.907 4.350 0.000 0.000 0.281 222 E C 0.195 176.745 176.600 -0.083 0.000 0.995 222 E CA -0.153 56.230 56.400 -0.028 0.000 0.808 222 E CB 1.103 30.782 29.700 -0.035 0.000 1.093 222 E HN 0.942 nan 8.360 nan 0.000 0.394 223 A N 5.505 128.244 122.820 -0.134 0.000 2.312 223 A HA -0.130 4.190 4.320 0.000 0.000 0.286 223 A C -1.709 175.778 177.584 -0.162 0.000 1.425 223 A CA 0.491 52.403 52.037 -0.208 0.000 0.748 223 A CB -1.289 17.595 19.000 -0.194 0.000 1.126 223 A HN 0.723 nan 8.150 nan 0.000 0.368 224 P HA -0.062 nan 4.420 nan 0.000 0.215 224 P C 0.734 177.980 177.300 -0.090 0.000 1.157 224 P CA 1.555 64.601 63.100 -0.090 0.000 0.863 224 P CB -0.031 31.630 31.700 -0.064 0.000 0.787 225 C N -1.394 117.831 119.300 -0.124 0.000 2.595 225 C HA 0.700 5.160 4.460 0.000 0.000 0.338 225 C C 2.154 177.082 174.990 -0.103 0.000 1.219 225 C CA -0.034 58.930 59.018 -0.090 0.000 1.811 225 C CB 0.975 28.672 27.740 -0.072 0.000 2.313 225 C HN 0.208 nan 8.230 nan 0.000 0.499 226 A N 0.582 123.374 122.820 -0.046 0.000 1.968 226 A HA 0.139 4.459 4.320 0.000 0.000 0.217 226 A C 1.080 178.657 177.584 -0.012 0.000 1.169 226 A CA 1.827 53.852 52.037 -0.020 0.000 0.638 226 A CB -0.555 18.457 19.000 0.020 0.000 0.812 226 A HN 0.998 nan 8.150 nan 0.000 0.446 227 T N -6.697 107.856 114.554 -0.002 0.000 2.942 227 T HA 0.334 4.684 4.350 0.000 0.000 0.289 227 T C 0.700 175.443 174.700 0.072 0.000 1.044 227 T CA -0.643 61.493 62.100 0.061 0.000 1.023 227 T CB 1.025 69.945 68.868 0.087 0.000 1.123 227 T HN 0.342 nan 8.240 nan 0.000 0.512 228 W N 1.590 122.892 121.300 0.005 0.000 2.355 228 W HA -0.111 4.549 4.660 0.000 0.000 0.309 228 W C 2.308 178.861 176.519 0.057 0.000 1.206 228 W CA 1.385 58.761 57.345 0.051 0.000 1.284 228 W CB -0.193 29.317 29.460 0.084 0.000 1.145 228 W HN 0.862 nan 8.180 nan 0.000 0.502 229 R N 0.734 121.418 120.500 0.308 0.000 2.083 229 R HA -0.209 4.131 4.340 0.000 0.000 0.237 229 R C 2.108 178.471 176.300 0.104 0.000 1.137 229 R CA 2.176 58.396 56.100 0.200 0.000 0.951 229 R CB -0.534 29.851 30.300 0.142 0.000 0.851 229 R HN 0.219 nan 8.270 nan 0.000 0.434 230 E N -0.395 119.842 120.200 0.061 0.000 2.077 230 E HA -0.209 4.141 4.350 0.000 0.000 0.193 230 E C 2.177 178.767 176.600 -0.016 0.000 0.989 230 E CA 1.550 57.961 56.400 0.018 0.000 0.800 230 E CB -0.118 29.583 29.700 0.002 0.000 0.746 230 E HN 0.433 nan 8.360 nan 0.000 0.452 231 C N 0.796 120.053 119.300 -0.071 0.000 2.425 231 C HA -0.102 4.358 4.460 0.000 0.000 0.277 231 C C 2.475 177.440 174.990 -0.043 0.000 1.280 231 C CA 0.085 59.033 59.018 -0.116 0.000 1.744 231 C CB -0.665 26.894 27.740 -0.302 0.000 1.989 231 C HN 0.421 nan 8.230 nan 0.000 0.491 232 I N 0.742 121.306 120.570 -0.009 0.000 2.252 232 I HA -0.121 4.049 4.170 0.000 0.000 0.245 232 I C 2.719 178.862 176.117 0.043 0.000 1.102 232 I CA 1.535 62.862 61.300 0.045 0.000 1.385 232 I CB -1.646 36.434 38.000 0.134 0.000 1.064 232 I HN 0.301 nan 8.210 nan 0.000 0.414 233 S N 0.949 116.674 115.700 0.042 0.000 2.370 233 S HA -0.190 4.280 4.470 0.000 0.000 0.226 233 S C 2.039 176.651 174.600 0.020 0.000 1.033 233 S CA 1.377 59.597 58.200 0.034 0.000 1.011 233 S CB -0.335 62.885 63.200 0.034 0.000 0.852 233 S HN 0.338 nan 8.310 nan 0.000 0.457 234 L N 2.128 123.356 121.223 0.009 0.000 2.027 234 L HA 0.093 4.433 4.340 0.000 0.000 0.206 234 L C 2.371 179.243 176.870 0.004 0.000 1.074 234 L CA 2.183 57.024 54.840 0.002 0.000 0.745 234 L CB -0.986 41.067 42.059 -0.010 0.000 0.898 234 L HN 0.302 nan 8.230 nan 0.000 0.433 235 R N 0.171 120.674 120.500 0.005 0.000 2.133 235 R HA -0.186 4.154 4.340 0.000 0.000 0.247 235 R C 2.253 178.558 176.300 0.009 0.000 1.151 235 R CA 1.858 57.962 56.100 0.005 0.000 0.971 235 R CB -0.437 29.868 30.300 0.009 0.000 0.866 235 R HN 0.407 nan 8.270 nan 0.000 0.447 236 R N -0.224 120.286 120.500 0.016 0.000 2.280 236 R HA 0.021 4.361 4.340 0.000 0.000 0.207 236 R C 1.061 177.368 176.300 0.013 0.000 1.043 236 R CA 1.281 57.392 56.100 0.018 0.000 1.006 236 R CB 0.085 30.400 30.300 0.025 0.000 0.885 236 R HN 0.194 nan 8.270 nan 0.000 0.467 237 K N -0.311 120.095 120.400 0.009 0.000 2.438 237 K HA 0.122 4.442 4.320 0.000 0.000 0.205 237 K C -0.131 176.471 176.600 0.003 0.000 1.033 237 K CA 0.011 56.303 56.287 0.007 0.000 1.089 237 K CB 1.514 34.020 32.500 0.009 0.000 0.857 237 K HN -0.100 nan 8.250 nan 0.000 0.522 238 T N 0.395 114.948 114.554 -0.002 0.000 2.868 238 T HA 0.118 4.468 4.350 0.000 0.000 0.306 238 T C -1.302 173.387 174.700 -0.019 0.000 1.224 238 T CA -0.701 61.392 62.100 -0.011 0.000 1.012 238 T CB 1.529 70.389 68.868 -0.012 0.000 1.221 238 T HN 0.180 nan 8.240 nan 0.000 0.499 239 D N 1.966 122.346 120.400 -0.032 0.000 2.440 239 D HA 0.189 4.829 4.640 0.000 0.000 0.216 239 D C 0.522 176.781 176.300 -0.070 0.000 1.150 239 D CA -0.341 53.636 54.000 -0.039 0.000 0.832 239 D CB -0.230 40.551 40.800 -0.032 0.000 0.992 239 D HN 0.406 nan 8.370 nan 0.000 0.502 240 I N 1.445 121.961 120.570 -0.090 0.000 2.634 240 I HA 0.222 4.392 4.170 0.000 0.000 0.284 240 I C -2.328 173.722 176.117 -0.111 0.000 1.124 240 I CA -2.077 59.131 61.300 -0.154 0.000 1.417 240 I CB 0.669 38.564 38.000 -0.175 0.000 1.396 240 I HN -0.226 nan 8.210 nan 0.000 0.571 241 P HA 0.278 nan 4.420 nan 0.000 0.271 241 P C -1.026 176.249 177.300 -0.042 0.000 1.216 241 P CA 0.215 63.277 63.100 -0.063 0.000 0.771 241 P CB 0.386 32.062 31.700 -0.040 0.000 0.864 242 I N 3.903 124.457 120.570 -0.027 0.000 2.433 242 I HA 0.385 4.555 4.170 0.000 0.000 0.292 242 I C -0.278 175.845 176.117 0.009 0.000 1.001 242 I CA -0.785 60.516 61.300 0.003 0.000 1.119 242 I CB 1.511 39.524 38.000 0.021 0.000 1.289 242 I HN 0.059 nan 8.210 nan 0.000 0.438 243 I N 6.031 126.629 120.570 0.046 0.000 2.433 243 I HA 0.306 4.476 4.170 0.000 0.000 0.292 243 I C -0.631 175.562 176.117 0.126 0.000 1.001 243 I CA -0.736 60.596 61.300 0.054 0.000 1.119 243 I CB 1.393 39.425 38.000 0.053 0.000 1.289 243 I HN 0.341 nan 8.210 nan 0.000 0.438 244 Y N 4.421 124.628 120.300 -0.155 0.000 2.308 244 Y HA 0.242 4.792 4.550 0.000 0.000 0.329 244 Y C 0.826 176.670 175.900 -0.093 0.000 1.111 244 Y CA -0.056 57.954 58.100 -0.151 0.000 1.179 244 Y CB 1.176 39.522 38.460 -0.192 0.000 1.201 244 Y HN 0.572 nan 8.280 nan 0.000 0.483 245 D N 0.717 121.107 120.400 -0.017 0.000 3.054 245 D HA 0.009 4.649 4.640 0.000 0.000 0.209 245 D C 1.267 177.559 176.300 -0.014 0.000 1.527 245 D CA 0.525 54.515 54.000 -0.017 0.000 1.427 245 D CB 0.054 40.814 40.800 -0.066 0.000 1.059 245 D HN 0.507 nan 8.370 nan 0.000 0.243 246 E N 0.330 120.495 120.200 -0.057 0.000 2.130 246 E HA -0.088 4.262 4.350 0.000 0.000 0.196 246 E C 2.009 178.623 176.600 0.023 0.000 0.998 246 E CA 0.954 57.346 56.400 -0.013 0.000 0.806 246 E CB -0.135 29.553 29.700 -0.020 0.000 0.738 246 E HN 0.338 nan 8.360 nan 0.000 0.459 247 L N -0.242 120.962 121.223 -0.032 0.000 2.492 247 L HA 0.130 4.470 4.340 0.000 0.000 0.223 247 L C 0.685 177.729 176.870 0.290 0.000 1.132 247 L CA -0.144 54.754 54.840 0.095 0.000 0.850 247 L CB -0.055 41.922 42.059 -0.137 0.000 0.966 247 L HN -0.009 nan 8.230 nan 0.000 0.454 248 A N 0.249 123.203 122.820 0.224 0.000 2.415 248 A HA 0.424 4.744 4.320 0.000 0.000 0.309 248 A C 0.832 178.515 177.584 0.165 0.000 1.356 248 A CA -0.067 52.114 52.037 0.241 0.000 0.998 248 A CB -0.092 19.019 19.000 0.185 0.000 1.145 248 A HN 0.337 nan 8.150 nan 0.000 0.545 249 T N 0.734 115.393 114.554 0.175 0.000 3.274 249 T HA 0.201 4.551 4.350 0.000 0.000 0.186 249 T C 0.719 175.482 174.700 0.105 0.000 0.799 249 T CA 0.384 62.557 62.100 0.122 0.000 1.611 249 T CB -0.715 68.221 68.868 0.113 0.000 2.155 249 T HN 0.613 nan 8.240 nan 0.000 0.427 250 N N 1.818 120.575 118.700 0.096 0.000 2.405 250 N HA 0.172 4.912 4.740 0.000 0.000 0.269 250 N C 1.102 176.663 175.510 0.086 0.000 1.249 250 N CA -0.384 52.715 53.050 0.081 0.000 0.974 250 N CB 0.235 38.761 38.487 0.066 0.000 1.204 250 N HN 0.663 nan 8.380 nan 0.000 0.565 251 E N -0.156 120.088 120.200 0.073 0.000 2.209 251 E HA -0.241 4.109 4.350 0.000 0.000 0.196 251 E C 1.162 177.803 176.600 0.067 0.000 0.993 251 E CA 1.357 57.800 56.400 0.071 0.000 0.819 251 E CB -0.540 29.195 29.700 0.058 0.000 0.745 251 E HN 0.604 nan 8.360 nan 0.000 0.477 252 M N 2.009 121.641 119.600 0.054 0.000 2.159 252 M HA -0.129 4.351 4.480 0.000 0.000 0.263 252 M C 2.522 178.847 176.300 0.042 0.000 1.063 252 M CA 2.061 57.381 55.300 0.033 0.000 1.110 252 M CB -0.538 32.070 32.600 0.013 0.000 1.374 252 M HN 0.283 nan 8.290 nan 0.000 0.411 253 S N 0.062 115.811 115.700 0.082 0.000 2.406 253 S HA -0.053 4.417 4.470 0.000 0.000 0.228 253 S C 1.929 176.677 174.600 0.248 0.000 1.020 253 S CA 0.742 59.035 58.200 0.154 0.000 0.965 253 S CB -0.582 62.766 63.200 0.247 0.000 0.798 253 S HN 0.341 nan 8.310 nan 0.000 0.488 254 I N 1.930 122.610 120.570 0.184 0.000 2.252 254 I HA -0.040 4.130 4.170 0.000 0.000 0.245 254 I C 2.508 178.729 176.117 0.173 0.000 1.102 254 I CA 0.627 62.038 61.300 0.185 0.000 1.385 254 I CB -1.621 36.466 38.000 0.145 0.000 1.064 254 I HN 0.219 nan 8.210 nan 0.000 0.414 255 V N 1.196 121.179 119.914 0.114 0.000 2.490 255 V HA -0.247 3.873 4.120 0.000 0.000 0.250 255 V C 2.573 178.725 176.094 0.097 0.000 1.061 255 V CA 1.604 63.952 62.300 0.080 0.000 1.064 255 V CB -0.694 31.154 31.823 0.041 0.000 0.670 255 V HN 0.306 nan 8.190 nan 0.000 0.461 256 K N 0.631 121.096 120.400 0.108 0.000 2.148 256 K HA -0.031 4.289 4.320 0.000 0.000 0.204 256 K C 1.768 178.566 176.600 0.331 0.000 1.050 256 K CA 1.402 57.750 56.287 0.101 0.000 0.942 256 K CB -0.486 31.916 32.500 -0.163 0.000 0.724 256 K HN 0.449 nan 8.250 nan 0.000 0.446 257 I N 0.246 121.055 120.570 0.397 0.000 2.226 257 I HA -0.298 3.872 4.170 0.000 0.000 0.245 257 I C 2.069 178.309 176.117 0.204 0.000 1.100 257 I CA 1.141 62.578 61.300 0.227 0.000 1.374 257 I CB -0.228 37.745 38.000 -0.044 0.000 1.057 257 I HN 0.106 nan 8.210 nan 0.000 0.413 258 L N 0.419 121.779 121.223 0.228 0.000 2.056 258 L HA -0.172 4.168 4.340 0.000 0.000 0.207 258 L C 2.829 179.763 176.870 0.106 0.000 1.078 258 L CA 1.292 56.226 54.840 0.157 0.000 0.749 258 L CB -0.615 41.467 42.059 0.037 0.000 0.901 258 L HN 0.224 nan 8.230 nan 0.000 0.433 259 A N -0.495 122.386 122.820 0.102 0.000 1.972 259 A HA -0.211 4.109 4.320 0.000 0.000 0.219 259 A C 1.642 179.286 177.584 0.100 0.000 1.169 259 A CA 1.959 54.042 52.037 0.077 0.000 0.635 259 A CB -0.364 18.669 19.000 0.055 0.000 0.810 259 A HN 0.367 nan 8.150 nan 0.000 0.446 260 D N -1.087 119.407 120.400 0.156 0.000 2.349 260 D HA 0.113 4.753 4.640 0.000 0.000 0.214 260 D C 0.077 176.450 176.300 0.121 0.000 1.063 260 D CA 0.672 54.777 54.000 0.175 0.000 0.847 260 D CB -0.044 40.955 40.800 0.332 0.000 0.933 260 D HN 0.413 nan 8.370 nan 0.000 0.513 261 D N -0.096 120.368 120.400 0.106 0.000 2.686 261 D HA -0.252 4.388 4.640 0.000 0.000 0.235 261 D C 1.038 177.355 176.300 0.029 0.000 1.160 261 D CA 0.693 54.745 54.000 0.086 0.000 0.645 261 D CB -0.914 39.927 40.800 0.067 0.000 1.039 261 D HN 0.223 nan 8.370 nan 0.000 0.423 262 A N -0.610 122.188 122.820 -0.037 0.000 2.072 262 A HA 0.535 4.855 4.320 0.000 0.000 0.216 262 A C 1.240 178.645 177.584 -0.299 0.000 1.156 262 A CA 1.560 53.488 52.037 -0.181 0.000 0.701 262 A CB 0.295 19.089 19.000 -0.343 0.000 0.816 262 A HN 1.009 nan 8.150 nan 0.000 0.458 263 A N -1.605 120.983 122.820 -0.385 0.000 2.568 263 A HA 0.660 4.980 4.320 0.000 0.000 0.291 263 A C -0.332 176.969 177.584 -0.471 0.000 1.159 263 A CA -0.293 51.499 52.037 -0.409 0.000 0.679 263 A CB 0.290 18.934 19.000 -0.592 0.000 1.285 263 A HN -0.072 nan 8.150 nan 0.000 0.428 264 E N -0.618 119.367 120.200 -0.359 0.000 2.476 264 E HA 0.438 4.788 4.350 0.000 0.000 0.199 264 E C 0.589 176.987 176.600 -0.336 0.000 1.021 264 E CA 1.083 57.333 56.400 -0.251 0.000 0.907 264 E CB 1.091 30.754 29.700 -0.061 0.000 0.974 264 E HN 1.156 nan 8.360 nan 0.000 0.489 265 G N 0.081 108.599 108.800 -0.470 0.000 2.342 265 G HA2 0.490 4.450 3.960 0.000 0.000 0.297 265 G HA3 0.490 4.450 3.960 0.000 0.000 0.297 265 G C -1.508 173.270 174.900 -0.203 0.000 1.313 265 G CA -0.529 44.402 45.100 -0.282 0.000 0.830 265 G HN 0.109 nan 8.290 nan 0.000 0.506 266 I N -2.666 117.863 120.570 -0.068 0.000 3.074 266 I HA 0.776 4.946 4.170 0.000 0.000 0.310 266 I C -1.832 174.296 176.117 0.018 0.000 1.153 266 I CA -1.045 60.251 61.300 -0.006 0.000 0.993 266 I CB 2.846 40.860 38.000 0.023 0.000 1.237 266 I HN 0.358 nan 8.210 nan 0.000 0.443 267 D N 4.415 124.830 120.400 0.026 0.000 2.473 267 D HA 0.301 4.941 4.640 0.000 0.000 0.226 267 D C -1.062 175.247 176.300 0.015 0.000 1.089 267 D CA -0.186 53.822 54.000 0.012 0.000 0.883 267 D CB 1.302 42.100 40.800 -0.004 0.000 1.029 267 D HN 0.674 nan 8.370 nan 0.000 0.517 268 L N 4.190 125.420 121.223 0.013 0.000 2.312 268 L HA 0.259 4.599 4.340 0.000 0.000 0.287 268 L C -0.080 176.794 176.870 0.005 0.000 1.091 268 L CA -0.350 54.499 54.840 0.016 0.000 0.846 268 L CB 0.007 42.074 42.059 0.014 0.000 1.219 268 L HN 0.094 nan 8.230 nan 0.000 0.439 269 K N 5.420 125.827 120.400 0.010 0.000 2.234 269 K HA 0.215 4.535 4.320 0.000 0.000 0.277 269 K C 0.937 177.546 176.600 0.015 0.000 1.038 269 K CA -0.837 55.453 56.287 0.005 0.000 0.888 269 K CB 1.772 34.272 32.500 0.000 0.000 1.091 269 K HN 0.516 nan 8.250 nan 0.000 0.467 270 I N 1.711 122.286 120.570 0.009 0.000 2.113 270 I HA -0.378 3.792 4.170 0.000 0.000 0.242 270 I C 2.272 178.409 176.117 0.032 0.000 1.057 270 I CA 2.051 63.359 61.300 0.013 0.000 1.314 270 I CB -1.528 36.475 38.000 0.006 0.000 1.022 270 I HN 0.660 nan 8.210 nan 0.000 0.408 271 S N 0.058 115.780 115.700 0.038 0.000 2.481 271 S HA -0.162 4.308 4.470 0.000 0.000 0.231 271 S C 1.916 176.550 174.600 0.056 0.000 0.996 271 S CA 0.967 59.198 58.200 0.052 0.000 0.942 271 S CB -0.284 62.949 63.200 0.055 0.000 0.768 271 S HN 0.532 nan 8.310 nan 0.000 0.520 272 K N 1.197 121.627 120.400 0.050 0.000 2.211 272 K HA 0.317 4.637 4.320 0.000 0.000 0.201 272 K C 2.124 178.761 176.600 0.060 0.000 1.052 272 K CA 0.728 57.049 56.287 0.057 0.000 0.973 272 K CB -0.413 32.118 32.500 0.053 0.000 0.766 272 K HN 0.369 nan 8.250 nan 0.000 0.466 273 A N 0.295 123.148 122.820 0.055 0.000 1.970 273 A HA 0.168 4.488 4.320 0.000 0.000 0.216 273 A C 1.528 179.150 177.584 0.063 0.000 1.170 273 A CA 1.231 53.303 52.037 0.059 0.000 0.645 273 A CB -0.382 18.646 19.000 0.047 0.000 0.816 273 A HN 0.548 nan 8.150 nan 0.000 0.447 274 G N -3.375 105.463 108.800 0.063 0.000 2.159 274 G HA2 0.425 4.385 3.960 0.000 0.000 0.170 274 G HA3 0.425 4.385 3.960 0.000 0.000 0.170 274 G C 1.054 176.003 174.900 0.081 0.000 1.007 274 G CA 0.320 45.463 45.100 0.073 0.000 0.672 274 G HN 2.322 nan 8.290 nan 0.000 0.507 275 G N -1.524 107.318 108.800 0.069 0.000 2.343 275 G HA2 0.172 4.132 3.960 0.000 0.000 0.562 275 G HA3 0.172 4.132 3.960 0.000 0.000 0.562 275 G C 0.618 175.538 174.900 0.034 0.000 1.269 275 G CA -0.105 45.041 45.100 0.076 0.000 1.011 275 G HN 0.938 nan 8.290 nan 0.000 0.498 276 L N 0.144 121.360 121.223 -0.013 0.000 2.156 276 L HA 0.019 4.359 4.340 0.000 0.000 0.208 276 L C 3.201 180.002 176.870 -0.114 0.000 1.095 276 L CA 2.053 56.749 54.840 -0.239 0.000 0.770 276 L CB -0.590 41.032 42.059 -0.728 0.000 0.914 276 L HN 0.739 nan 8.230 nan 0.000 0.439 277 T N -0.696 114.005 114.554 0.245 0.000 2.737 277 T HA -0.153 4.197 4.350 0.000 0.000 0.265 277 T C 2.028 176.830 174.700 0.171 0.000 1.038 277 T CA 1.140 63.464 62.100 0.373 0.000 1.144 277 T CB -0.120 68.996 68.868 0.412 0.000 0.866 277 T HN 0.263 nan 8.240 nan 0.000 0.434 278 R N 0.437 121.011 120.500 0.123 0.000 2.148 278 R HA 0.018 4.358 4.340 0.000 0.000 0.227 278 R C 2.827 179.160 176.300 0.055 0.000 1.103 278 R CA 1.010 57.160 56.100 0.084 0.000 0.983 278 R CB -0.560 29.787 30.300 0.077 0.000 0.874 278 R HN 0.430 nan 8.270 nan 0.000 0.451 279 G N 0.979 109.795 108.800 0.026 0.000 2.418 279 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 279 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 279 G C 1.446 176.340 174.900 -0.010 0.000 1.158 279 G CA 0.299 45.396 45.100 -0.006 0.000 0.771 279 G HN 0.227 nan 8.290 nan 0.000 0.545 280 R N 0.395 120.887 120.500 -0.013 0.000 2.081 280 R HA -0.012 4.328 4.340 0.000 0.000 0.235 280 R C 2.759 179.082 176.300 0.038 0.000 1.131 280 R CA 1.094 57.196 56.100 0.003 0.000 0.960 280 R CB -0.252 30.073 30.300 0.041 0.000 0.856 280 R HN 0.290 nan 8.270 nan 0.000 0.436 281 R N 0.208 120.743 120.500 0.059 0.000 2.080 281 R HA -0.163 4.177 4.340 0.000 0.000 0.236 281 R C 2.519 178.846 176.300 0.046 0.000 1.137 281 R CA 2.100 58.234 56.100 0.057 0.000 0.943 281 R CB -0.328 30.010 30.300 0.064 0.000 0.846 281 R HN 0.413 nan 8.270 nan 0.000 0.431 282 Q N -0.036 119.792 119.800 0.048 0.000 2.124 282 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 282 Q C 2.247 178.275 176.000 0.045 0.000 0.977 282 Q CA 1.174 57.009 55.803 0.053 0.000 0.850 282 Q CB -0.162 28.611 28.738 0.059 0.000 0.901 282 Q HN 0.275 nan 8.270 nan 0.000 0.429 283 R N 0.901 121.418 120.500 0.028 0.000 2.083 283 R HA -0.194 4.146 4.340 0.000 0.000 0.237 283 R C 1.199 177.509 176.300 0.017 0.000 1.137 283 R CA 1.950 58.061 56.100 0.018 0.000 0.951 283 R CB -0.061 30.238 30.300 -0.002 0.000 0.851 283 R HN 0.212 nan 8.270 nan 0.000 0.434 284 D N 0.398 120.808 120.400 0.017 0.000 2.144 284 D HA -0.117 4.523 4.640 0.000 0.000 0.199 284 D C 1.953 178.253 176.300 -0.000 0.000 0.984 284 D CA 1.149 55.155 54.000 0.010 0.000 0.834 284 D CB -0.126 40.685 40.800 0.018 0.000 0.955 284 D HN 0.349 nan 8.370 nan 0.000 0.465 285 I N 0.283 120.859 120.570 0.009 0.000 2.179 285 I HA -0.279 3.891 4.170 0.000 0.000 0.242 285 I C 2.365 178.461 176.117 -0.036 0.000 1.088 285 I CA 0.667 61.962 61.300 -0.008 0.000 1.357 285 I CB -0.167 37.846 38.000 0.022 0.000 1.051 285 I HN 0.075 nan 8.210 nan 0.000 0.409 286 C N 0.644 119.956 119.300 0.018 0.000 2.432 286 C HA -0.126 4.334 4.460 0.000 0.000 0.277 286 C C 2.733 177.713 174.990 -0.017 0.000 1.249 286 C CA 0.562 59.608 59.018 0.046 0.000 1.725 286 C CB -0.985 26.833 27.740 0.131 0.000 2.028 286 C HN 0.447 nan 8.230 nan 0.000 0.477 287 L N 1.064 122.281 121.223 -0.010 0.000 2.083 287 L HA -0.138 4.202 4.340 0.000 0.000 0.209 287 L C 2.864 179.705 176.870 -0.049 0.000 1.083 287 L CA 1.541 56.368 54.840 -0.021 0.000 0.752 287 L CB -0.795 41.256 42.059 -0.012 0.000 0.899 287 L HN 0.340 nan 8.230 nan 0.000 0.433 288 A N -0.073 122.710 122.820 -0.061 0.000 1.969 288 A HA -0.075 4.245 4.320 0.000 0.000 0.218 288 A C 2.429 179.941 177.584 -0.120 0.000 1.169 288 A CA 1.646 53.639 52.037 -0.073 0.000 0.635 288 A CB -0.435 18.527 19.000 -0.062 0.000 0.810 288 A HN 0.404 nan 8.150 nan 0.000 0.445 289 A N -2.277 120.421 122.820 -0.202 0.000 2.030 289 A HA 0.422 4.742 4.320 0.000 0.000 0.215 289 A C 1.800 179.223 177.584 -0.268 0.000 1.164 289 A CA 1.354 53.190 52.037 -0.335 0.000 0.697 289 A CB -0.479 18.093 19.000 -0.714 0.000 0.827 289 A HN 1.833 nan 8.150 nan 0.000 0.457 290 G N -2.643 106.065 108.800 -0.153 0.000 2.138 290 G HA2 -0.179 3.781 3.960 0.000 0.000 0.193 290 G HA3 -0.179 3.781 3.960 0.000 0.000 0.193 290 G C -0.264 174.697 174.900 0.102 0.000 0.998 290 G CA -0.040 45.040 45.100 -0.033 0.000 0.668 290 G HN 0.267 nan 8.290 nan 0.000 0.516 291 Y N 2.152 122.438 120.300 -0.023 0.000 2.309 291 Y HA 0.575 5.125 4.550 0.000 0.000 0.327 291 Y C 1.336 177.218 175.900 -0.031 0.000 1.172 291 Y CA -1.134 56.951 58.100 -0.026 0.000 1.280 291 Y CB 1.241 39.684 38.460 -0.027 0.000 1.234 291 Y HN 0.408 nan 8.280 nan 0.000 0.512 292 S N 1.482 117.248 115.700 0.110 0.000 2.603 292 S HA 0.710 5.180 4.470 0.000 0.000 0.268 292 S C -0.684 173.922 174.600 0.010 0.000 1.317 292 S CA -0.684 57.522 58.200 0.011 0.000 1.012 292 S CB 1.272 64.441 63.200 -0.053 0.000 0.926 292 S HN 0.321 nan 8.310 nan 0.000 0.539 293 V N 1.465 121.366 119.914 -0.023 0.000 2.623 293 V HA 0.604 4.724 4.120 0.000 0.000 0.304 293 V C -0.225 175.847 176.094 -0.037 0.000 1.054 293 V CA -0.699 61.594 62.300 -0.012 0.000 0.882 293 V CB 1.711 33.535 31.823 0.002 0.000 1.002 293 V HN 1.011 nan 8.190 nan 0.000 0.424 294 S N 3.533 119.221 115.700 -0.020 0.000 2.475 294 S HA 0.757 5.227 4.470 0.000 0.000 0.298 294 S C -0.762 173.827 174.600 -0.018 0.000 1.119 294 S CA -0.453 57.733 58.200 -0.023 0.000 1.085 294 S CB 1.575 64.776 63.200 0.003 0.000 1.028 294 S HN 0.520 nan 8.310 nan 0.000 0.489 295 V N 5.951 125.850 119.914 -0.025 0.000 2.328 295 V HA 0.482 4.602 4.120 0.000 0.000 0.278 295 V C 0.092 176.177 176.094 -0.014 0.000 1.021 295 V CA -0.378 61.907 62.300 -0.024 0.000 0.838 295 V CB 0.815 32.615 31.823 -0.039 0.000 0.999 295 V HN 0.945 nan 8.190 nan 0.000 0.447 296 Q N 2.716 122.509 119.800 -0.012 0.000 3.177 296 Q HA 0.787 5.127 4.340 0.000 0.000 0.339 296 Q C -1.179 174.817 176.000 -0.006 0.000 0.912 296 Q CA -0.956 54.842 55.803 -0.008 0.000 0.818 296 Q CB 2.198 30.916 28.738 -0.033 0.000 1.448 296 Q HN 0.630 nan 8.270 nan 0.000 0.489 297 E N -0.627 119.561 120.200 -0.021 0.000 2.392 297 E HA 0.186 4.536 4.350 0.000 0.000 0.279 297 E C -0.241 176.323 176.600 -0.059 0.000 0.964 297 E CA 0.039 56.427 56.400 -0.019 0.000 0.777 297 E CB 1.490 31.193 29.700 0.005 0.000 1.249 297 E HN 0.616 nan 8.360 nan 0.000 0.449 298 T N -0.622 113.910 114.554 -0.037 0.000 2.684 298 T HA -0.055 4.295 4.350 0.000 0.000 0.267 298 T C 1.182 175.815 174.700 -0.112 0.000 1.036 298 T CA 1.028 63.102 62.100 -0.044 0.000 1.148 298 T CB -0.396 68.499 68.868 0.044 0.000 0.863 298 T HN 0.556 nan 8.240 nan 0.000 0.436 299 C N -1.047 118.194 119.300 -0.098 0.000 3.176 299 C HA 0.639 5.099 4.460 0.000 0.000 0.343 299 C C -0.552 174.381 174.990 -0.096 0.000 1.332 299 C CA 0.254 59.160 59.018 -0.187 0.000 1.200 299 C CB 1.059 28.559 27.740 -0.400 0.000 1.440 299 C HN 1.326 nan 8.230 nan 0.000 0.458 300 G N 1.772 110.521 108.800 -0.086 0.000 2.347 300 G HA2 0.582 4.542 3.960 0.000 0.000 0.303 300 G HA3 0.582 4.542 3.960 0.000 0.000 0.303 300 G C -0.674 174.231 174.900 0.009 0.000 1.481 300 G CA 0.567 45.662 45.100 -0.007 0.000 0.914 300 G HN 2.093 nan 8.290 nan 0.000 0.638 301 S N -0.788 114.928 115.700 0.026 0.000 2.521 301 S HA 0.488 4.958 4.470 0.000 0.000 0.278 301 S C 1.003 175.605 174.600 0.004 0.000 1.140 301 S CA 0.738 58.944 58.200 0.010 0.000 1.028 301 S CB 0.863 64.071 63.200 0.014 0.000 1.203 301 S HN 0.519 nan 8.310 nan 0.000 0.491 302 D N 0.707 121.090 120.400 -0.028 0.000 2.149 302 D HA -0.033 4.607 4.640 0.000 0.000 0.198 302 D C 1.705 177.952 176.300 -0.089 0.000 0.990 302 D CA 1.385 55.350 54.000 -0.057 0.000 0.839 302 D CB -0.443 40.307 40.800 -0.083 0.000 0.948 302 D HN 0.444 nan 8.370 nan 0.000 0.460 303 I N 0.864 121.404 120.570 -0.051 0.000 2.252 303 I HA -0.218 3.952 4.170 0.000 0.000 0.245 303 I C 2.459 178.579 176.117 0.005 0.000 1.102 303 I CA 0.862 62.148 61.300 -0.022 0.000 1.385 303 I CB -0.300 37.723 38.000 0.038 0.000 1.064 303 I HN 0.013 nan 8.210 nan 0.000 0.414 304 A N 0.686 123.527 122.820 0.034 0.000 1.933 304 A HA -0.246 4.074 4.320 0.000 0.000 0.218 304 A C 2.213 179.824 177.584 0.045 0.000 1.175 304 A CA 1.333 53.398 52.037 0.047 0.000 0.628 304 A CB -0.909 18.124 19.000 0.055 0.000 0.814 304 A HN 0.440 nan 8.150 nan 0.000 0.444 305 F N 1.095 120.965 119.950 -0.133 0.000 2.216 305 F HA -0.021 4.506 4.527 0.000 0.000 0.300 305 F C 2.430 178.094 175.800 -0.228 0.000 1.085 305 F CA 0.668 58.565 58.000 -0.171 0.000 1.326 305 F CB -0.468 38.407 39.000 -0.208 0.000 1.027 305 F HN 0.248 nan 8.300 nan 0.000 0.497 306 A N 0.335 122.914 122.820 -0.402 0.000 1.902 306 A HA -0.061 4.259 4.320 0.000 0.000 0.217 306 A C 2.467 180.014 177.584 -0.061 0.000 1.181 306 A CA 1.815 53.608 52.037 -0.406 0.000 0.623 306 A CB -1.507 17.358 19.000 -0.226 0.000 0.818 306 A HN 0.454 nan 8.150 nan 0.000 0.443 307 A N -0.039 122.752 122.820 -0.048 0.000 1.902 307 A HA -0.073 4.247 4.320 0.000 0.000 0.217 307 A C 2.126 179.664 177.584 -0.077 0.000 1.181 307 A CA 1.466 53.492 52.037 -0.018 0.000 0.623 307 A CB -0.614 18.380 19.000 -0.010 0.000 0.818 307 A HN 0.492 nan 8.150 nan 0.000 0.443 308 I N -0.385 120.103 120.570 -0.136 0.000 2.127 308 I HA -0.263 3.907 4.170 0.000 0.000 0.241 308 I C 2.397 178.382 176.117 -0.219 0.000 1.075 308 I CA 1.505 62.712 61.300 -0.154 0.000 1.334 308 I CB -0.420 37.506 38.000 -0.124 0.000 1.040 308 I HN 0.170 nan 8.210 nan 0.000 0.405 309 V N 0.270 119.948 119.914 -0.395 0.000 2.295 309 V HA -0.318 3.802 4.120 0.000 0.000 0.246 309 V C 2.491 178.437 176.094 -0.246 0.000 1.049 309 V CA 1.908 63.991 62.300 -0.362 0.000 1.024 309 V CB -0.974 30.585 31.823 -0.440 0.000 0.648 309 V HN 0.433 nan 8.190 nan 0.000 0.447 310 H N -0.978 118.026 119.070 -0.110 0.000 2.353 310 H HA -0.113 4.443 4.556 0.000 0.000 0.300 310 H C 2.187 177.432 175.328 -0.138 0.000 1.090 310 H CA 2.009 57.997 56.048 -0.100 0.000 1.327 310 H CB -0.081 29.629 29.762 -0.087 0.000 1.383 310 H HN 0.326 nan 8.280 nan 0.000 0.508 311 L N 0.879 122.071 121.223 -0.051 0.000 2.027 311 L HA -0.012 4.328 4.340 0.000 0.000 0.206 311 L C 2.549 179.372 176.870 -0.079 0.000 1.074 311 L CA 1.760 56.541 54.840 -0.099 0.000 0.745 311 L CB -0.803 41.187 42.059 -0.114 0.000 0.898 311 L HN 0.133 nan 8.230 nan 0.000 0.433 312 A N -1.121 121.650 122.820 -0.083 0.000 2.019 312 A HA -0.246 4.074 4.320 0.000 0.000 0.219 312 A C 2.196 179.741 177.584 -0.065 0.000 1.164 312 A CA 1.520 53.514 52.037 -0.072 0.000 0.644 312 A CB -0.636 18.317 19.000 -0.077 0.000 0.805 312 A HN 0.565 nan 8.150 nan 0.000 0.449 313 Q N 0.087 119.841 119.800 -0.077 0.000 2.515 313 Q HA -0.045 4.295 4.340 0.000 0.000 0.212 313 Q C 1.400 177.373 176.000 -0.045 0.000 0.970 313 Q CA 1.584 57.347 55.803 -0.067 0.000 0.941 313 Q CB -0.505 28.178 28.738 -0.091 0.000 0.998 313 Q HN 0.705 nan 8.270 nan 0.000 0.518 314 T N -3.627 110.901 114.554 -0.043 0.000 3.085 314 T HA 0.368 4.718 4.350 0.000 0.000 0.264 314 T C 0.343 175.025 174.700 -0.031 0.000 1.019 314 T CA -0.348 61.731 62.100 -0.033 0.000 0.910 314 T CB 0.041 68.887 68.868 -0.037 0.000 1.059 314 T HN 0.086 nan 8.240 nan 0.000 0.542 315 I N 2.806 123.356 120.570 -0.034 0.000 2.330 315 I HA 0.386 4.556 4.170 0.000 0.000 0.289 315 I C -2.522 173.577 176.117 -0.030 0.000 1.001 315 I CA -2.849 58.432 61.300 -0.031 0.000 1.193 315 I CB 1.560 39.539 38.000 -0.035 0.000 1.345 315 I HN -0.099 nan 8.210 nan 0.000 0.461 316 P HA -0.080 nan 4.420 nan 0.000 0.263 316 P C 0.810 178.091 177.300 -0.032 0.000 1.175 316 P CA 0.272 63.356 63.100 -0.026 0.000 0.761 316 P CB 0.624 32.310 31.700 -0.022 0.000 0.794 317 E N 3.658 123.840 120.200 -0.030 0.000 2.114 317 E HA -0.321 4.029 4.350 0.000 0.000 0.199 317 E C 1.579 178.153 176.600 -0.044 0.000 1.008 317 E CA 1.360 57.741 56.400 -0.031 0.000 0.810 317 E CB -0.024 29.662 29.700 -0.023 0.000 0.739 317 E HN 0.303 nan 8.360 nan 0.000 0.456 318 R N -0.427 120.050 120.500 -0.038 0.000 2.159 318 R HA -0.064 4.276 4.340 0.000 0.000 0.237 318 R C 2.102 178.366 176.300 -0.060 0.000 1.131 318 R CA 1.411 57.485 56.100 -0.043 0.000 0.982 318 R CB 0.012 30.295 30.300 -0.029 0.000 0.868 318 R HN 0.112 nan 8.270 nan 0.000 0.453 319 S N 0.080 115.747 115.700 -0.055 0.000 2.503 319 S HA 0.068 4.538 4.470 0.000 0.000 0.215 319 S C 0.298 174.848 174.600 -0.084 0.000 1.003 319 S CA -0.416 57.750 58.200 -0.056 0.000 0.910 319 S CB 0.272 63.455 63.200 -0.028 0.000 0.790 319 S HN 0.066 nan 8.310 nan 0.000 0.514 320 L N 2.922 124.091 121.223 -0.090 0.000 2.371 320 L HA 0.386 4.726 4.340 0.000 0.000 0.272 320 L C 0.079 176.841 176.870 -0.180 0.000 1.124 320 L CA 0.254 55.032 54.840 -0.102 0.000 0.816 320 L CB 0.436 42.454 42.059 -0.069 0.000 1.129 320 L HN -0.143 nan 8.230 nan 0.000 0.448 321 R N 4.058 124.445 120.500 -0.188 0.000 2.835 321 R HA 0.359 4.699 4.340 0.000 0.000 0.290 321 R C -0.774 175.453 176.300 -0.121 0.000 1.410 321 R CA -0.305 55.619 56.100 -0.293 0.000 1.590 321 R CB -0.456 29.615 30.300 -0.381 0.000 1.288 321 R HN 0.912 nan 8.270 nan 0.000 0.637 322 C N -0.077 119.164 119.300 -0.098 0.000 0.168 322 C HA -0.221 4.239 4.460 0.000 0.000 0.017 322 C C 0.569 175.529 174.990 -0.050 0.000 0.171 322 C CA -0.548 58.428 59.018 -0.071 0.000 0.499 322 C CB -0.782 26.922 27.740 -0.061 0.000 3.212 322 C HN 0.811 nan 8.230 nan 0.000 1.118 323 I N -1.287 119.257 120.570 -0.043 0.000 3.042 323 I HA 0.895 5.065 4.170 0.000 0.000 0.310 323 I C -0.854 175.272 176.117 0.015 0.000 1.117 323 I CA -1.070 60.227 61.300 -0.005 0.000 1.003 323 I CB 1.616 39.626 38.000 0.016 0.000 1.228 323 I HN 0.674 nan 8.210 nan 0.000 0.443 324 L N 2.644 123.897 121.223 0.051 0.000 2.296 324 L HA 0.417 4.757 4.340 0.000 0.000 0.286 324 L C 0.066 177.011 176.870 0.125 0.000 1.023 324 L CA 0.102 54.966 54.840 0.042 0.000 0.812 324 L CB 1.277 43.332 42.059 -0.007 0.000 1.223 324 L HN 0.805 nan 8.230 nan 0.000 0.421 325 E N 4.372 124.585 120.200 0.022 0.000 1.802 325 E HA 0.072 4.422 4.350 0.000 0.000 0.265 325 E C 1.113 177.596 176.600 -0.196 0.000 1.168 325 E CA -0.123 56.138 56.400 -0.231 0.000 1.033 325 E CB 0.125 29.616 29.700 -0.347 0.000 1.095 325 E HN 0.987 nan 8.360 nan 0.000 0.436 326 C N 3.535 122.788 119.300 -0.079 0.000 2.411 326 C HA -0.148 4.312 4.460 0.000 0.000 0.279 326 C C 2.337 177.274 174.990 -0.088 0.000 1.288 326 C CA 0.852 59.836 59.018 -0.058 0.000 1.764 326 C CB -1.098 26.641 27.740 -0.002 0.000 1.974 326 C HN 0.797 nan 8.230 nan 0.000 0.498 327 R N 2.394 122.786 120.500 -0.181 0.000 2.193 327 R HA -0.121 4.219 4.340 0.000 0.000 0.229 327 R C 1.538 177.784 176.300 -0.090 0.000 1.110 327 R CA 1.927 57.944 56.100 -0.139 0.000 0.988 327 R CB -1.020 29.150 30.300 -0.215 0.000 0.871 327 R HN 0.739 nan 8.270 nan 0.000 0.458 328 D N 1.144 121.483 120.400 -0.102 0.000 2.371 328 D HA -0.130 4.510 4.640 0.000 0.000 0.221 328 D C 1.476 177.803 176.300 0.044 0.000 0.986 328 D CA 0.599 54.581 54.000 -0.029 0.000 0.899 328 D CB -0.044 40.751 40.800 -0.008 0.000 0.902 328 D HN 0.403 nan 8.370 nan 0.000 0.530 329 M N 0.416 120.064 119.600 0.080 0.000 2.558 329 M HA 0.065 4.545 4.480 0.000 0.000 0.255 329 M C 0.771 177.244 176.300 0.287 0.000 1.113 329 M CA 0.212 55.646 55.300 0.223 0.000 1.097 329 M CB 0.663 33.377 32.600 0.190 0.000 1.426 329 M HN -0.038 nan 8.290 nan 0.000 0.488 330 V N -4.120 115.893 119.914 0.164 0.000 3.155 330 V HA 0.579 4.699 4.120 0.000 0.000 0.313 330 V C 0.603 176.738 176.094 0.068 0.000 1.162 330 V CA -0.506 61.896 62.300 0.170 0.000 1.048 330 V CB 1.406 33.342 31.823 0.189 0.000 1.092 330 V HN 0.233 nan 8.190 nan 0.000 0.447 331 T N -2.205 112.383 114.554 0.057 0.000 3.044 331 T HA 0.368 4.718 4.350 0.000 0.000 0.260 331 T C 0.134 174.844 174.700 0.016 0.000 1.019 331 T CA 0.029 62.140 62.100 0.018 0.000 0.921 331 T CB 0.095 68.966 68.868 0.004 0.000 1.053 331 T HN 0.637 nan 8.240 nan 0.000 0.533 332 V N 1.809 121.739 119.914 0.027 0.000 2.417 332 V HA 0.474 4.594 4.120 0.000 0.000 0.291 332 V C -0.186 175.909 176.094 0.002 0.000 1.024 332 V CA -1.165 61.144 62.300 0.015 0.000 0.861 332 V CB 1.753 33.591 31.823 0.025 0.000 0.985 332 V HN 0.323 nan 8.190 nan 0.000 0.436 333 K N 2.381 122.773 120.400 -0.013 0.000 2.227 333 K HA 0.350 4.670 4.320 0.000 0.000 0.280 333 K C 0.982 177.554 176.600 -0.046 0.000 1.041 333 K CA 0.038 56.309 56.287 -0.028 0.000 0.905 333 K CB 1.156 33.641 32.500 -0.025 0.000 1.068 333 K HN 0.867 nan 8.250 nan 0.000 0.470 334 T N 0.192 114.710 114.554 -0.061 0.000 3.022 334 T HA 0.389 4.739 4.350 0.000 0.000 0.250 334 T C 0.234 174.837 174.700 -0.162 0.000 1.060 334 T CA -0.068 61.970 62.100 -0.103 0.000 1.013 334 T CB 0.453 69.269 68.868 -0.087 0.000 0.982 334 T HN 0.459 nan 8.240 nan 0.000 0.508 335 A N 0.402 123.149 122.820 -0.123 0.000 2.608 335 A HA 0.609 4.929 4.320 0.000 0.000 0.292 335 A C -1.955 175.597 177.584 -0.052 0.000 1.066 335 A CA -0.926 51.030 52.037 -0.135 0.000 0.676 335 A CB 1.097 19.993 19.000 -0.173 0.000 1.277 335 A HN 0.192 nan 8.150 nan 0.000 0.413 336 D N -0.273 120.112 120.400 -0.025 0.000 2.228 336 D HA 0.719 5.359 4.640 0.000 0.000 0.247 336 D C 0.125 176.502 176.300 0.128 0.000 0.995 336 D CA 0.616 54.642 54.000 0.044 0.000 0.903 336 D CB 2.154 42.966 40.800 0.021 0.000 1.205 336 D HN 1.220 nan 8.370 nan 0.000 0.459 337 G N -0.881 108.044 108.800 0.208 0.000 2.340 337 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 337 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 337 G C -1.372 173.674 174.900 0.244 0.000 1.498 337 G CA -0.488 44.790 45.100 0.297 0.000 0.847 337 G HN 0.426 nan 8.290 nan 0.000 0.594 338 A N 0.244 123.046 122.820 -0.029 0.000 2.981 338 A HA 0.625 4.945 4.320 0.000 0.000 0.280 338 A C -0.241 177.107 177.584 -0.395 0.000 1.743 338 A CA 0.036 51.980 52.037 -0.156 0.000 1.430 338 A CB -1.013 17.871 19.000 -0.193 0.000 1.085 338 A HN 0.802 nan 8.150 nan 0.000 0.597 339 F N 0.124 120.114 119.950 0.067 0.000 2.791 339 F HA 0.154 4.681 4.527 0.000 0.000 0.316 339 F C 0.004 175.887 175.800 0.139 0.000 1.134 339 F CA -0.917 57.160 58.000 0.128 0.000 1.222 339 F CB 0.552 39.694 39.000 0.235 0.000 1.034 339 F HN 0.352 nan 8.300 nan 0.000 0.516 340 D N 2.208 122.713 120.400 0.175 0.000 2.458 340 D HA 0.048 4.688 4.640 0.000 0.000 0.243 340 D C 0.534 176.902 176.300 0.114 0.000 1.146 340 D CA 0.511 54.584 54.000 0.121 0.000 0.877 340 D CB 1.444 42.284 40.800 0.066 0.000 1.176 340 D HN -0.050 nan 8.370 nan 0.000 0.461 341 I N 1.969 122.596 120.570 0.095 0.000 2.474 341 I HA 0.032 4.202 4.170 0.000 0.000 0.287 341 I C 0.647 176.805 176.117 0.069 0.000 1.048 341 I CA 0.035 61.383 61.300 0.080 0.000 1.383 341 I CB 0.472 38.493 38.000 0.034 0.000 1.412 341 I HN 0.163 nan 8.210 nan 0.000 0.531 342 Q N 4.942 124.795 119.800 0.088 0.000 2.464 342 Q HA 0.229 4.569 4.340 0.000 0.000 0.256 342 Q C -1.014 175.072 176.000 0.143 0.000 1.020 342 Q CA -0.520 55.339 55.803 0.092 0.000 0.716 342 Q CB 1.230 30.013 28.738 0.074 0.000 1.230 342 Q HN 0.510 nan 8.270 nan 0.000 0.494 343 D N 1.863 122.331 120.400 0.113 0.000 2.699 343 D HA -0.197 4.443 4.640 0.000 0.000 0.239 343 D C 0.676 177.050 176.300 0.124 0.000 1.136 343 D CA 1.542 55.626 54.000 0.141 0.000 0.668 343 D CB -1.011 39.889 40.800 0.168 0.000 1.060 343 D HN 1.114 nan 8.370 nan 0.000 0.429 344 G N -0.980 107.779 108.800 -0.068 0.000 2.136 344 G HA2 -0.287 3.673 3.960 0.000 0.000 0.242 344 G HA3 -0.287 3.673 3.960 0.000 0.000 0.242 344 G C -0.011 174.475 174.900 -0.690 0.000 0.989 344 G CA 0.265 45.065 45.100 -0.501 0.000 0.682 344 G HN 0.429 nan 8.290 nan 0.000 0.522 345 F N -0.126 119.745 119.950 -0.131 0.000 2.599 345 F HA 0.811 5.338 4.527 0.000 0.000 0.311 345 F C 0.314 176.098 175.800 -0.028 0.000 1.076 345 F CA -0.205 57.746 58.000 -0.082 0.000 0.937 345 F CB 2.224 41.188 39.000 -0.060 0.000 1.282 345 F HN 0.415 nan 8.300 nan 0.000 0.460 346 A N 0.646 123.583 122.820 0.195 0.000 2.485 346 A HA 0.953 5.273 4.320 0.000 0.000 0.292 346 A C -0.877 176.753 177.584 0.077 0.000 1.147 346 A CA -0.534 51.593 52.037 0.151 0.000 0.750 346 A CB 1.840 20.982 19.000 0.238 0.000 1.331 346 A HN 0.847 nan 8.150 nan 0.000 0.419 347 T N -2.172 112.385 114.554 0.004 0.000 2.894 347 T HA 0.740 5.090 4.350 0.000 0.000 0.309 347 T C -0.274 174.311 174.700 -0.191 0.000 1.208 347 T CA 0.017 62.070 62.100 -0.079 0.000 1.016 347 T CB 1.190 70.012 68.868 -0.077 0.000 1.192 347 T HN 2.047 nan 8.240 nan 0.000 0.491 348 A N 3.315 125.985 122.820 -0.251 0.000 2.401 348 A HA 0.696 5.016 4.320 0.000 0.000 0.259 348 A C -1.886 175.467 177.584 -0.385 0.000 1.103 348 A CA -1.349 50.426 52.037 -0.436 0.000 0.789 348 A CB -0.528 18.184 19.000 -0.480 0.000 1.035 348 A HN 0.796 nan 8.150 nan 0.000 0.491 349 P HA 0.095 nan 4.420 nan 0.000 0.271 349 P C 0.523 177.748 177.300 -0.125 0.000 1.244 349 P CA 0.319 63.212 63.100 -0.345 0.000 0.793 349 P CB 0.477 31.899 31.700 -0.463 0.000 0.984 350 T N -4.987 109.516 114.554 -0.086 0.000 3.092 350 T HA 0.117 4.467 4.350 0.000 0.000 0.258 350 T C 0.709 175.404 174.700 -0.009 0.000 1.031 350 T CA -0.189 61.891 62.100 -0.033 0.000 0.925 350 T CB -0.982 67.861 68.868 -0.042 0.000 1.036 350 T HN 0.527 nan 8.240 nan 0.000 0.544 351 T N 0.534 115.088 114.554 -0.001 0.000 2.874 351 T HA 0.543 4.893 4.350 0.000 0.000 0.281 351 T C -2.921 171.799 174.700 0.033 0.000 0.994 351 T CA -2.000 60.109 62.100 0.016 0.000 1.015 351 T CB 0.726 69.606 68.868 0.020 0.000 1.028 351 T HN -0.087 nan 8.240 nan 0.000 0.523 352 P HA 0.347 nan 4.420 nan 0.000 0.268 352 P C 1.096 178.413 177.300 0.028 0.000 1.208 352 P CA 1.217 64.326 63.100 0.016 0.000 0.777 352 P CB -0.136 31.575 31.700 0.019 0.000 0.875 353 G N 1.019 109.817 108.800 -0.004 0.000 2.564 353 G HA2 -0.307 3.653 3.960 0.000 0.000 0.273 353 G HA3 -0.307 3.653 3.960 0.000 0.000 0.273 353 G C 0.755 175.611 174.900 -0.072 0.000 1.242 353 G CA 0.118 45.220 45.100 0.003 0.000 0.951 353 G HN 0.483 nan 8.290 nan 0.000 0.564 354 L N 1.739 122.972 121.223 0.017 0.000 2.376 354 L HA 0.294 4.634 4.340 0.000 0.000 0.219 354 L C 2.406 179.519 176.870 0.405 0.000 1.133 354 L CA 1.202 56.089 54.840 0.079 0.000 0.816 354 L CB -0.623 41.539 42.059 0.171 0.000 0.933 354 L HN 2.123 nan 8.230 nan 0.000 0.449 355 G N 1.439 110.399 108.800 0.267 0.000 2.160 355 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 355 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 355 G C 0.113 175.222 174.900 0.347 0.000 1.022 355 G CA 0.446 45.707 45.100 0.268 0.000 0.741 355 G HN 0.469 nan 8.290 nan 0.000 0.508 356 I N -3.620 117.111 120.570 0.268 0.000 2.740 356 I HA 0.948 5.118 4.170 0.000 0.000 0.303 356 I C -0.299 175.855 176.117 0.062 0.000 1.044 356 I CA -1.953 59.458 61.300 0.185 0.000 1.064 356 I CB 2.209 40.264 38.000 0.091 0.000 1.249 356 I HN -0.033 nan 8.210 nan 0.000 0.433 357 M N 5.391 124.985 119.600 -0.010 0.000 2.035 357 M HA 0.558 5.038 4.480 0.000 0.000 0.286 357 M C -2.714 173.465 176.300 -0.201 0.000 0.907 357 M CA -2.128 53.126 55.300 -0.078 0.000 0.935 357 M CB 1.430 34.019 32.600 -0.018 0.000 1.557 357 M HN 0.308 nan 8.290 nan 0.000 0.426 358 P HA 0.082 nan 4.420 nan 0.000 0.266 358 P C -0.963 176.107 177.300 -0.383 0.000 1.195 358 P CA 0.164 62.908 63.100 -0.593 0.000 0.768 358 P CB 0.410 31.303 31.700 -1.345 0.000 0.838 359 R N 3.210 123.527 120.500 -0.304 0.000 2.408 359 R HA 0.193 4.533 4.340 0.000 0.000 0.308 359 R C 1.214 177.382 176.300 -0.220 0.000 1.210 359 R CA -0.334 55.648 56.100 -0.196 0.000 1.115 359 R CB -0.243 29.978 30.300 -0.132 0.000 1.127 359 R HN 0.534 nan 8.270 nan 0.000 0.523 360 L N 1.785 122.884 121.223 -0.207 0.000 2.189 360 L HA -0.266 4.074 4.340 0.000 0.000 0.214 360 L C 1.991 178.795 176.870 -0.110 0.000 1.097 360 L CA 1.338 56.069 54.840 -0.181 0.000 0.764 360 L CB -0.448 41.557 42.059 -0.090 0.000 0.900 360 L HN 0.645 nan 8.230 nan 0.000 0.436 361 D N -0.315 120.040 120.400 -0.075 0.000 2.269 361 D HA -0.113 4.527 4.640 0.000 0.000 0.208 361 D C 1.976 178.255 176.300 -0.036 0.000 0.963 361 D CA 0.909 54.887 54.000 -0.037 0.000 0.864 361 D CB -0.180 40.604 40.800 -0.026 0.000 0.936 361 D HN 0.258 nan 8.370 nan 0.000 0.505 362 V N 0.936 120.812 119.914 -0.064 0.000 2.649 362 V HA -0.078 4.042 4.120 0.000 0.000 0.248 362 V C 2.655 178.726 176.094 -0.038 0.000 1.054 362 V CA 0.627 62.900 62.300 -0.047 0.000 1.073 362 V CB -0.283 31.503 31.823 -0.061 0.000 0.699 362 V HN 0.170 nan 8.190 nan 0.000 0.463 363 L N -0.002 121.163 121.223 -0.097 0.000 2.217 363 L HA 0.273 4.613 4.340 0.000 0.000 0.211 363 L C 1.548 178.458 176.870 0.067 0.000 1.107 363 L CA 0.901 55.686 54.840 -0.091 0.000 0.783 363 L CB -1.081 40.745 42.059 -0.387 0.000 0.919 363 L HN 0.526 nan 8.230 nan 0.000 0.442 364 G N 0.456 109.292 108.800 0.061 0.000 2.598 364 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 364 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 364 G C -0.460 174.619 174.900 0.298 0.000 1.302 364 G CA -0.394 44.795 45.100 0.148 0.000 0.903 364 G HN 0.241 nan 8.290 nan 0.000 0.575 365 E N 0.244 120.609 120.200 0.275 0.000 2.283 365 E HA 0.648 4.998 4.350 0.000 0.000 0.271 365 E C 0.873 177.596 176.600 0.205 0.000 1.031 365 E CA 0.374 56.946 56.400 0.287 0.000 0.868 365 E CB 1.301 31.079 29.700 0.131 0.000 1.094 365 E HN 1.234 nan 8.360 nan 0.000 0.401 366 A N 1.555 124.338 122.820 -0.061 0.000 2.546 366 A HA 0.096 4.416 4.320 0.000 0.000 0.243 366 A C 1.057 178.483 177.584 -0.263 0.000 1.063 366 A CA 0.190 51.886 52.037 -0.568 0.000 0.757 366 A CB -0.097 18.525 19.000 -0.630 0.000 0.991 366 A HN 0.612 nan 8.150 nan 0.000 0.503 367 V N -0.385 119.383 119.914 -0.242 0.000 3.608 367 V HA 0.566 4.686 4.120 0.000 0.000 0.269 367 V C 0.686 176.682 176.094 -0.162 0.000 1.245 367 V CA 0.818 63.042 62.300 -0.127 0.000 1.138 367 V CB -1.395 30.396 31.823 -0.054 0.000 0.841 367 V HN 1.777 nan 8.190 nan 0.000 0.451 368 A N -0.845 121.821 122.820 -0.258 0.000 2.594 368 A HA 0.801 5.121 4.320 0.000 0.000 0.296 368 A C -0.660 176.621 177.584 -0.504 0.000 1.061 368 A CA -0.141 51.688 52.037 -0.346 0.000 0.689 368 A CB 1.579 20.443 19.000 -0.226 0.000 1.280 368 A HN 0.259 nan 8.150 nan 0.000 0.406 369 S N -0.031 115.238 115.700 -0.719 0.000 2.540 369 S HA 0.842 5.312 4.470 0.000 0.000 0.275 369 S C -1.514 172.571 174.600 -0.859 0.000 1.123 369 S CA -0.300 57.533 58.200 -0.612 0.000 0.907 369 S CB 1.031 64.034 63.200 -0.329 0.000 1.081 369 S HN 0.587 nan 8.310 nan 0.000 0.476 370 Y N 0.000 120.254 120.300 -0.076 0.000 2.660 370 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 370 Y CA 0.000 58.065 58.100 -0.059 0.000 1.940 370 Y CB 0.000 38.426 38.460 -0.057 0.000 1.050 370 Y HN 0.000 nan 8.280 nan 0.000 0.758