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 1gqt_1_D DATA FIRST_RESID 4 DATA SEQUENCE AGSLVVLGSI NADHILNLQS FPTPGETVTG NHYQVAFGGK GANQAVAAGR DATA SEQUENCE SGANIAFIAC TGDDSIGESV RQQLATDNID ITPVSVIKGE STGVALIFVN DATA SEQUENCE GEGENVIGIH AGANAALSPA LVEAQRERIA NASALLMQLE SPLESVMAAA DATA SEQUENCE KIAHQNKTIV ALNPAPAREL PDELLALVDI ITPNETEAEK LTGIRVENDE DATA SEQUENCE DAAKAAQVLH EKGIRTVLIT LGSRGVWASV NGEGQRVPGF RVQAVDTIAA DATA SEQUENCE GDTFNGALIT ALLEEKPLPE AIRFAHAAAA IAVTRKGAQP SVPWREEIDA DATA SEQUENCE FLDRQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.566 177.584 -0.031 0.000 1.274 4 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 4 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 5 G N 1.908 110.690 108.800 -0.031 0.000 2.765 5 G HA2 0.440 4.400 3.960 -0.000 0.000 0.230 5 G HA3 0.440 4.400 3.960 -0.000 0.000 0.230 5 G C 0.613 175.499 174.900 -0.022 0.000 1.238 5 G CA 0.586 45.672 45.100 -0.025 0.000 0.854 5 G HN 2.138 nan 8.290 nan 0.000 0.579 6 S N -0.001 115.689 115.700 -0.016 0.000 2.562 6 S HA 0.521 4.991 4.470 -0.000 0.000 0.275 6 S C -0.364 174.229 174.600 -0.011 0.000 1.281 6 S CA -0.862 57.331 58.200 -0.011 0.000 1.045 6 S CB 1.734 64.931 63.200 -0.005 0.000 0.962 6 S HN 0.865 nan 8.310 nan 0.000 0.503 7 L N 3.506 124.722 121.223 -0.011 0.000 2.322 7 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 7 L C -1.054 175.820 176.870 0.007 0.000 1.014 7 L CA -0.617 54.218 54.840 -0.009 0.000 0.815 7 L CB 1.702 43.747 42.059 -0.024 0.000 1.247 7 L HN 0.648 nan 8.230 nan 0.000 0.421 8 V N 5.804 125.729 119.914 0.018 0.000 2.398 8 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 8 V C -0.270 175.858 176.094 0.057 0.000 1.026 8 V CA -0.635 61.692 62.300 0.044 0.000 0.868 8 V CB 1.717 33.564 31.823 0.041 0.000 0.982 8 V HN 0.573 nan 8.190 nan 0.000 0.443 9 V N 6.303 126.278 119.914 0.102 0.000 2.483 9 V HA 0.562 4.682 4.120 -0.000 0.000 0.295 9 V C -0.338 175.928 176.094 0.286 0.000 1.035 9 V CA -0.600 61.775 62.300 0.126 0.000 0.896 9 V CB 1.845 33.668 31.823 0.000 0.000 0.986 9 V HN 0.725 nan 8.190 nan 0.000 0.447 10 L N 4.196 125.548 121.223 0.215 0.000 2.409 10 L HA 0.976 5.316 4.340 -0.000 0.000 0.272 10 L C -0.083 176.906 176.870 0.198 0.000 0.980 10 L CA 0.301 55.254 54.840 0.187 0.000 0.826 10 L CB 1.613 43.717 42.059 0.076 0.000 1.268 10 L HN 0.853 nan 8.230 nan 0.000 0.407 11 G N 1.770 110.707 108.800 0.229 0.000 2.325 11 G HA2 0.313 4.273 3.960 -0.000 0.000 0.295 11 G HA3 0.313 4.273 3.960 -0.000 0.000 0.295 11 G C -1.528 173.482 174.900 0.184 0.000 1.274 11 G CA -0.062 45.165 45.100 0.211 0.000 0.857 11 G HN 0.760 nan 8.290 nan 0.000 0.499 12 S N -1.103 114.701 115.700 0.173 0.000 2.672 12 S HA 0.816 5.286 4.470 -0.000 0.000 0.276 12 S C -0.242 174.477 174.600 0.199 0.000 1.207 12 S CA -0.613 57.656 58.200 0.116 0.000 1.002 12 S CB 1.536 64.778 63.200 0.070 0.000 0.998 12 S HN 0.671 nan 8.310 nan 0.000 0.542 13 I N 1.824 122.466 120.570 0.121 0.000 2.465 13 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 13 I C -0.872 175.311 176.117 0.109 0.000 1.014 13 I CA -0.737 60.646 61.300 0.138 0.000 1.093 13 I CB 1.905 39.965 38.000 0.101 0.000 1.267 13 I HN 0.577 nan 8.210 nan 0.000 0.431 14 N N 3.619 122.400 118.700 0.135 0.000 2.229 14 N HA 0.570 5.310 4.740 -0.000 0.000 0.298 14 N C -0.878 174.746 175.510 0.190 0.000 1.114 14 N CA -0.598 52.535 53.050 0.138 0.000 0.776 14 N CB 2.453 41.007 38.487 0.111 0.000 1.501 14 N HN 0.629 nan 8.380 nan 0.000 0.474 15 A N 1.068 124.002 122.820 0.190 0.000 2.310 15 A HA 0.309 4.629 4.320 -0.000 0.000 0.300 15 A C -0.650 177.017 177.584 0.139 0.000 1.269 15 A CA -0.323 51.808 52.037 0.156 0.000 0.909 15 A CB -0.216 18.887 19.000 0.172 0.000 1.144 15 A HN 0.452 nan 8.150 nan 0.000 0.540 16 D N 2.032 122.446 120.400 0.023 0.000 2.277 16 D HA 0.256 4.896 4.640 -0.000 0.000 0.249 16 D C -0.185 176.037 176.300 -0.131 0.000 1.134 16 D CA 0.553 54.565 54.000 0.020 0.000 0.863 16 D CB 0.479 41.277 40.800 -0.003 0.000 1.143 16 D HN 0.552 nan 8.370 nan 0.000 0.458 17 H N 2.644 121.697 119.070 -0.029 0.000 2.581 17 H HA 0.396 4.952 4.556 -0.000 0.000 0.308 17 H C -0.120 175.232 175.328 0.039 0.000 1.040 17 H CA -0.415 55.630 56.048 -0.005 0.000 1.231 17 H CB 1.194 31.029 29.762 0.121 0.000 1.396 17 H HN 0.217 nan 8.280 nan 0.000 0.467 18 I N 4.755 125.360 120.570 0.059 0.000 2.389 18 I HA 0.092 4.262 4.170 -0.000 0.000 0.288 18 I C -0.678 175.601 176.117 0.270 0.000 0.999 18 I CA -0.752 60.625 61.300 0.129 0.000 1.129 18 I CB 1.949 39.983 38.000 0.057 0.000 1.288 18 I HN 0.224 nan 8.210 nan 0.000 0.444 19 L N 7.894 129.334 121.223 0.361 0.000 2.298 19 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 19 L C -0.327 176.741 176.870 0.331 0.000 1.013 19 L CA -0.119 54.964 54.840 0.404 0.000 0.824 19 L CB 0.851 43.181 42.059 0.452 0.000 1.221 19 L HN 0.466 nan 8.230 nan 0.000 0.418 20 N N 5.546 124.403 118.700 0.262 0.000 2.497 20 N HA 0.550 5.290 4.740 -0.000 0.000 0.271 20 N C -1.134 174.446 175.510 0.116 0.000 1.142 20 N CA -0.113 53.046 53.050 0.181 0.000 0.965 20 N CB 1.401 39.990 38.487 0.169 0.000 1.077 20 N HN 0.457 nan 8.380 nan 0.000 0.462 21 L N -0.926 120.320 121.223 0.038 0.000 2.518 21 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 21 L C 1.115 177.917 176.870 -0.112 0.000 0.980 21 L CA -0.832 53.986 54.840 -0.036 0.000 0.837 21 L CB 1.192 43.207 42.059 -0.073 0.000 1.410 21 L HN 0.431 nan 8.230 nan 0.000 0.410 22 Q N 1.453 121.190 119.800 -0.104 0.000 2.002 22 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 22 Q C 0.113 175.995 176.000 -0.196 0.000 0.988 22 Q CA 2.277 58.009 55.803 -0.118 0.000 0.843 22 Q CB 0.176 28.864 28.738 -0.083 0.000 0.908 22 Q HN 0.917 nan 8.270 nan 0.000 0.420 23 S N -1.403 114.171 115.700 -0.210 0.000 2.595 23 S HA 0.509 4.979 4.470 -0.000 0.000 0.281 23 S C -0.697 173.746 174.600 -0.261 0.000 1.117 23 S CA -1.033 56.995 58.200 -0.287 0.000 0.873 23 S CB 0.755 63.862 63.200 -0.156 0.000 1.108 23 S HN 0.182 nan 8.310 nan 0.000 0.477 24 F N 2.482 122.383 119.950 -0.081 0.000 2.602 24 F HA 0.278 4.805 4.527 -0.000 0.000 0.385 24 F C -1.767 173.943 175.800 -0.151 0.000 1.063 24 F CA -1.457 56.467 58.000 -0.126 0.000 1.233 24 F CB -0.713 38.266 39.000 -0.035 0.000 1.067 24 F HN 0.338 nan 8.300 nan 0.000 0.564 25 P HA 0.015 nan 4.420 nan 0.000 0.265 25 P C -0.039 177.260 177.300 -0.001 0.000 1.193 25 P CA 0.075 63.119 63.100 -0.094 0.000 0.765 25 P CB 0.472 32.043 31.700 -0.214 0.000 0.823 26 T N 4.309 118.863 114.554 -0.000 0.000 2.934 26 T HA 0.423 4.773 4.350 -0.000 0.000 0.283 26 T C -2.288 172.419 174.700 0.011 0.000 1.005 26 T CA -1.640 60.470 62.100 0.015 0.000 1.041 26 T CB 0.440 69.316 68.868 0.013 0.000 1.042 26 T HN 0.226 nan 8.240 nan 0.000 0.505 27 P HA 0.160 nan 4.420 nan 0.000 0.266 27 P C 1.053 178.358 177.300 0.009 0.000 1.193 27 P CA 0.730 63.839 63.100 0.015 0.000 0.770 27 P CB 0.178 31.886 31.700 0.014 0.000 0.836 28 G N 1.242 110.047 108.800 0.008 0.000 2.382 28 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.259 28 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.259 28 G C 0.289 175.189 174.900 0.000 0.000 1.009 28 G CA 0.737 45.839 45.100 0.004 0.000 0.625 28 G HN 0.730 nan 8.290 nan 0.000 0.541 29 E N 1.280 121.479 120.200 -0.002 0.000 2.194 29 E HA 0.543 4.893 4.350 -0.000 0.000 0.284 29 E C -0.282 176.306 176.600 -0.019 0.000 1.035 29 E CA -0.172 56.221 56.400 -0.011 0.000 0.836 29 E CB 0.529 30.221 29.700 -0.013 0.000 1.070 29 E HN 0.088 nan 8.360 nan 0.000 0.401 30 T N 4.241 118.783 114.554 -0.021 0.000 2.771 30 T HA 0.345 4.695 4.350 -0.000 0.000 0.291 30 T C -0.546 174.127 174.700 -0.044 0.000 0.954 30 T CA -0.580 61.503 62.100 -0.029 0.000 1.045 30 T CB 0.976 69.833 68.868 -0.018 0.000 0.917 30 T HN 0.325 nan 8.240 nan 0.000 0.484 31 V N 3.077 122.949 119.914 -0.070 0.000 2.715 31 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 31 V C 0.459 176.512 176.094 -0.067 0.000 1.054 31 V CA -0.983 61.270 62.300 -0.078 0.000 0.928 31 V CB 2.114 33.866 31.823 -0.119 0.000 1.007 31 V HN 0.840 nan 8.190 nan 0.000 0.437 32 T N 2.764 117.289 114.554 -0.049 0.000 2.806 32 T HA 0.540 4.890 4.350 -0.000 0.000 0.290 32 T C 0.563 175.249 174.700 -0.024 0.000 0.966 32 T CA 0.108 62.188 62.100 -0.032 0.000 1.060 32 T CB 1.359 70.214 68.868 -0.022 0.000 0.927 32 T HN 1.027 nan 8.240 nan 0.000 0.485 33 G N 1.538 110.337 108.800 -0.001 0.000 2.588 33 G HA2 0.355 4.315 3.960 -0.000 0.000 0.281 33 G HA3 0.355 4.315 3.960 -0.000 0.000 0.281 33 G C 0.472 175.400 174.900 0.047 0.000 1.236 33 G CA -0.749 44.372 45.100 0.034 0.000 0.969 33 G HN 0.801 nan 8.290 nan 0.000 0.504 34 N N -2.705 116.047 118.700 0.085 0.000 2.184 34 N HA 0.103 4.843 4.740 -0.000 0.000 0.234 34 N C -0.223 175.404 175.510 0.195 0.000 1.282 34 N CA -0.359 52.750 53.050 0.098 0.000 0.877 34 N CB 0.332 38.858 38.487 0.066 0.000 1.184 34 N HN 0.591 nan 8.380 nan 0.000 0.510 35 H N -0.888 118.233 119.070 0.085 0.000 3.136 35 H HA 0.145 4.701 4.556 -0.000 0.000 0.313 35 H C -2.298 173.139 175.328 0.183 0.000 1.103 35 H CA -0.517 55.594 56.048 0.104 0.000 1.437 35 H CB 0.994 30.795 29.762 0.064 0.000 2.063 35 H HN 0.075 nan 8.280 nan 0.000 0.495 36 Y N 4.146 124.202 120.300 -0.407 0.000 2.425 36 Y HA 0.440 4.990 4.550 -0.000 0.000 0.344 36 Y C -1.284 174.443 175.900 -0.289 0.000 0.969 36 Y CA -0.414 57.566 58.100 -0.201 0.000 1.052 36 Y CB 1.821 40.221 38.460 -0.099 0.000 1.215 36 Y HN 0.721 nan 8.280 nan 0.000 0.451 37 Q N 4.863 124.276 119.800 -0.645 0.000 2.284 37 Q HA 0.635 4.975 4.340 -0.000 0.000 0.269 37 Q C -2.275 173.299 176.000 -0.710 0.000 1.026 37 Q CA -0.784 54.684 55.803 -0.558 0.000 0.831 37 Q CB 2.314 30.930 28.738 -0.203 0.000 1.322 37 Q HN 0.619 nan 8.270 nan 0.000 0.419 38 V N 2.200 121.711 119.914 -0.672 0.000 2.435 38 V HA 0.943 5.063 4.120 -0.000 0.000 0.290 38 V C -0.452 175.356 176.094 -0.477 0.000 1.030 38 V CA -0.100 61.820 62.300 -0.633 0.000 0.881 38 V CB 1.125 32.571 31.823 -0.627 0.000 0.983 38 V HN 0.849 nan 8.190 nan 0.000 0.445 39 A N 3.986 126.547 122.820 -0.432 0.000 2.612 39 A HA 0.834 5.154 4.320 -0.000 0.000 0.293 39 A C -1.204 176.188 177.584 -0.320 0.000 1.075 39 A CA -0.609 51.187 52.037 -0.403 0.000 0.680 39 A CB 1.008 19.881 19.000 -0.212 0.000 1.279 39 A HN 0.481 nan 8.150 nan 0.000 0.411 40 F N 1.045 120.969 119.950 -0.044 0.000 2.538 40 F HA 0.509 5.036 4.527 -0.000 0.000 0.371 40 F C 1.256 177.048 175.800 -0.012 0.000 1.087 40 F CA 1.241 59.231 58.000 -0.017 0.000 1.250 40 F CB 0.941 39.939 39.000 -0.003 0.000 1.110 40 F HN 0.847 nan 8.300 nan 0.000 0.570 41 G N -0.030 108.892 108.800 0.203 0.000 3.107 41 G HA2 0.628 4.588 3.960 -0.000 0.000 0.233 41 G HA3 0.628 4.588 3.960 -0.000 0.000 0.233 41 G C -0.442 174.527 174.900 0.114 0.000 1.168 41 G CA -0.396 44.774 45.100 0.116 0.000 0.801 41 G HN 1.150 nan 8.290 nan 0.000 0.605 42 G N -0.694 108.157 108.800 0.085 0.000 3.209 42 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.686 42 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.686 42 G C 0.457 175.394 174.900 0.062 0.000 1.065 42 G CA 0.390 45.540 45.100 0.084 0.000 0.812 42 G HN 0.673 nan 8.290 nan 0.000 0.573 43 K N 1.262 121.693 120.400 0.052 0.000 2.103 43 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 43 K C 2.788 179.401 176.600 0.021 0.000 1.048 43 K CA 1.732 58.039 56.287 0.032 0.000 0.930 43 K CB -0.123 32.398 32.500 0.035 0.000 0.716 43 K HN 0.719 nan 8.250 nan 0.000 0.444 44 G N 1.265 110.111 108.800 0.076 0.000 2.404 44 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 44 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 44 G C 1.658 176.462 174.900 -0.158 0.000 1.174 44 G CA 0.944 46.100 45.100 0.094 0.000 0.780 44 G HN 0.356 nan 8.290 nan 0.000 0.537 45 A N 1.147 123.942 122.820 -0.041 0.000 1.930 45 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 45 A C 2.275 179.708 177.584 -0.251 0.000 1.175 45 A CA 1.817 53.688 52.037 -0.277 0.000 0.627 45 A CB -0.432 18.619 19.000 0.086 0.000 0.815 45 A HN 0.328 nan 8.150 nan 0.000 0.443 46 N N 0.105 118.737 118.700 -0.114 0.000 2.104 46 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 46 N C 1.845 177.267 175.510 -0.146 0.000 1.024 46 N CA 1.698 54.689 53.050 -0.098 0.000 0.853 46 N CB -0.447 38.016 38.487 -0.039 0.000 1.008 46 N HN 0.676 nan 8.380 nan 0.000 0.424 47 Q N -0.141 119.565 119.800 -0.157 0.000 2.172 47 Q HA 0.141 4.481 4.340 -0.000 0.000 0.200 47 Q C 1.976 177.837 176.000 -0.232 0.000 0.964 47 Q CA 1.031 56.743 55.803 -0.151 0.000 0.855 47 Q CB -0.005 28.674 28.738 -0.098 0.000 0.918 47 Q HN 0.384 nan 8.270 nan 0.000 0.444 48 A N 0.251 122.835 122.820 -0.393 0.000 1.930 48 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 48 A C 2.253 179.641 177.584 -0.327 0.000 1.175 48 A CA 1.042 52.805 52.037 -0.456 0.000 0.627 48 A CB -0.467 17.981 19.000 -0.920 0.000 0.815 48 A HN 0.193 nan 8.150 nan 0.000 0.443 49 V N -0.115 119.616 119.914 -0.306 0.000 2.427 49 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 49 V C 3.027 178.958 176.094 -0.270 0.000 1.051 49 V CA 1.771 63.912 62.300 -0.265 0.000 1.048 49 V CB -1.194 30.496 31.823 -0.223 0.000 0.666 49 V HN 0.596 nan 8.190 nan 0.000 0.456 50 A N 0.116 122.804 122.820 -0.220 0.000 1.902 50 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 50 A C 2.429 179.916 177.584 -0.161 0.000 1.181 50 A CA 2.136 54.059 52.037 -0.191 0.000 0.623 50 A CB -0.757 18.162 19.000 -0.134 0.000 0.818 50 A HN 0.552 nan 8.150 nan 0.000 0.443 51 A N -0.469 122.262 122.820 -0.147 0.000 1.858 51 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 51 A C 2.465 179.988 177.584 -0.103 0.000 1.190 51 A CA 1.967 53.941 52.037 -0.105 0.000 0.617 51 A CB -1.509 17.426 19.000 -0.108 0.000 0.827 51 A HN 0.735 nan 8.150 nan 0.000 0.443 52 G N -0.604 108.112 108.800 -0.142 0.000 2.459 52 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 52 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 52 G C 1.773 176.586 174.900 -0.146 0.000 1.183 52 G CA 0.987 46.014 45.100 -0.121 0.000 0.776 52 G HN 0.552 nan 8.290 nan 0.000 0.552 53 R N 0.622 120.927 120.500 -0.325 0.000 2.120 53 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 53 R C 2.911 179.113 176.300 -0.163 0.000 1.123 53 R CA 1.431 57.216 56.100 -0.526 0.000 0.975 53 R CB -0.201 29.427 30.300 -1.120 0.000 0.866 53 R HN 0.525 nan 8.270 nan 0.000 0.446 54 S N -1.270 114.376 115.700 -0.089 0.000 2.561 54 S HA 0.113 4.583 4.470 -0.000 0.000 0.225 54 S C 1.309 175.980 174.600 0.119 0.000 0.977 54 S CA 0.487 58.734 58.200 0.080 0.000 0.926 54 S CB 0.829 64.134 63.200 0.175 0.000 0.769 54 S HN 0.504 nan 8.310 nan 0.000 0.533 55 G N 0.279 109.111 108.800 0.053 0.000 2.183 55 G HA2 0.092 4.052 3.960 -0.000 0.000 0.168 55 G HA3 0.092 4.052 3.960 -0.000 0.000 0.168 55 G C 0.181 175.088 174.900 0.011 0.000 1.008 55 G CA -0.289 44.844 45.100 0.054 0.000 0.677 55 G HN 0.991 nan 8.290 nan 0.000 0.498 56 A N 0.144 122.957 122.820 -0.012 0.000 2.406 56 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 56 A C 0.449 178.023 177.584 -0.016 0.000 1.082 56 A CA 0.045 52.065 52.037 -0.028 0.000 0.786 56 A CB 0.202 19.176 19.000 -0.043 0.000 1.029 56 A HN 0.321 nan 8.150 nan 0.000 0.495 57 N N 1.534 120.223 118.700 -0.017 0.000 2.521 57 N HA 0.277 5.017 4.740 -0.000 0.000 0.236 57 N C -0.953 174.552 175.510 -0.009 0.000 1.067 57 N CA 0.127 53.173 53.050 -0.008 0.000 0.939 57 N CB 1.028 39.511 38.487 -0.007 0.000 1.201 57 N HN 0.599 nan 8.380 nan 0.000 0.511 58 I N 0.996 121.562 120.570 -0.007 0.000 2.647 58 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 58 I C -1.190 174.937 176.117 0.017 0.000 1.078 58 I CA -0.749 60.546 61.300 -0.008 0.000 1.048 58 I CB 1.973 39.950 38.000 -0.039 0.000 1.239 58 I HN 0.300 nan 8.210 nan 0.000 0.421 59 A N 6.501 129.346 122.820 0.041 0.000 2.413 59 A HA 0.789 5.109 4.320 -0.000 0.000 0.307 59 A C -1.875 175.810 177.584 0.168 0.000 1.087 59 A CA -0.463 51.624 52.037 0.083 0.000 0.750 59 A CB 1.601 20.635 19.000 0.057 0.000 1.296 59 A HN 0.552 nan 8.150 nan 0.000 0.423 60 F N 2.036 121.972 119.950 -0.024 0.000 2.460 60 F HA 0.617 5.143 4.527 -0.000 0.000 0.341 60 F C -0.894 174.891 175.800 -0.024 0.000 1.130 60 F CA -1.772 56.212 58.000 -0.027 0.000 0.962 60 F CB 1.041 40.020 39.000 -0.035 0.000 1.171 60 F HN 0.410 nan 8.300 nan 0.000 0.436 61 I N 6.294 126.857 120.570 -0.012 0.000 2.304 61 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 61 I C -0.059 175.768 176.117 -0.484 0.000 1.018 61 I CA -0.249 60.923 61.300 -0.214 0.000 1.260 61 I CB 0.745 38.705 38.000 -0.065 0.000 1.390 61 I HN 0.744 nan 8.210 nan 0.000 0.475 62 A N 5.242 127.721 122.820 -0.569 0.000 2.540 62 A HA 0.762 5.082 4.320 -0.000 0.000 0.291 62 A C -1.757 175.628 177.584 -0.333 0.000 1.083 62 A CA -0.513 51.186 52.037 -0.564 0.000 0.650 62 A CB 1.447 19.784 19.000 -1.105 0.000 1.292 62 A HN 0.630 nan 8.150 nan 0.000 0.435 63 C N 1.093 120.254 119.300 -0.232 0.000 2.482 63 C HA 0.839 5.299 4.460 -0.000 0.000 0.317 63 C C 0.736 175.664 174.990 -0.105 0.000 1.197 63 C CA 0.033 58.966 59.018 -0.142 0.000 1.432 63 C CB 0.880 28.561 27.740 -0.099 0.000 2.062 63 C HN 1.139 nan 8.230 nan 0.000 0.471 64 T N 0.448 114.955 114.554 -0.078 0.000 2.923 64 T HA 0.794 5.144 4.350 -0.000 0.000 0.281 64 T C 0.438 175.126 174.700 -0.020 0.000 0.995 64 T CA -0.171 61.908 62.100 -0.035 0.000 0.985 64 T CB 1.449 70.301 68.868 -0.025 0.000 1.114 64 T HN 0.909 nan 8.240 nan 0.000 0.548 65 G N -0.193 108.610 108.800 0.006 0.000 2.557 65 G HA2 0.424 4.384 3.960 -0.000 0.000 0.292 65 G HA3 0.424 4.384 3.960 -0.000 0.000 0.292 65 G C -0.117 174.792 174.900 0.014 0.000 1.237 65 G CA -0.487 44.620 45.100 0.013 0.000 0.978 65 G HN 0.866 nan 8.290 nan 0.000 0.498 66 D N -0.951 119.459 120.400 0.016 0.000 2.538 66 D HA 0.111 4.751 4.640 -0.000 0.000 0.234 66 D C -0.003 176.311 176.300 0.024 0.000 1.191 66 D CA -0.498 53.511 54.000 0.015 0.000 0.828 66 D CB -0.055 40.751 40.800 0.010 0.000 0.981 66 D HN 0.298 nan 8.370 nan 0.000 0.490 67 D N -1.469 118.952 120.400 0.034 0.000 2.511 67 D HA 0.226 4.866 4.640 -0.000 0.000 0.276 67 D C 0.924 177.254 176.300 0.049 0.000 1.220 67 D CA -0.896 53.130 54.000 0.043 0.000 1.077 67 D CB 0.331 41.164 40.800 0.054 0.000 1.126 67 D HN -0.157 nan 8.370 nan 0.000 0.583 68 S N -1.021 114.713 115.700 0.057 0.000 2.377 68 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 68 S C 1.781 176.433 174.600 0.087 0.000 1.030 68 S CA -0.003 58.234 58.200 0.061 0.000 0.970 68 S CB -0.391 62.843 63.200 0.057 0.000 0.830 68 S HN 0.485 nan 8.310 nan 0.000 0.473 69 I N 2.434 123.068 120.570 0.106 0.000 2.315 69 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 69 I C 2.113 178.326 176.117 0.160 0.000 1.125 69 I CA 1.156 62.554 61.300 0.163 0.000 1.392 69 I CB -0.906 37.190 38.000 0.160 0.000 1.065 69 I HN 0.296 nan 8.210 nan 0.000 0.424 70 G N 0.060 108.917 108.800 0.095 0.000 2.422 70 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 70 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 70 G C 1.431 176.344 174.900 0.020 0.000 1.140 70 G CA 0.798 45.928 45.100 0.050 0.000 0.775 70 G HN 0.646 nan 8.290 nan 0.000 0.545 71 E N 0.364 120.586 120.200 0.036 0.000 2.072 71 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 71 E C 2.436 179.050 176.600 0.024 0.000 0.982 71 E CA 1.216 57.629 56.400 0.022 0.000 0.803 71 E CB -0.571 29.147 29.700 0.030 0.000 0.755 71 E HN 0.240 nan 8.360 nan 0.000 0.453 72 S N 0.677 116.424 115.700 0.077 0.000 2.365 72 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 72 S C 2.048 176.633 174.600 -0.025 0.000 1.039 72 S CA 1.342 59.624 58.200 0.137 0.000 1.033 72 S CB -0.319 63.068 63.200 0.312 0.000 0.887 72 S HN 0.310 nan 8.310 nan 0.000 0.447 73 V N 1.527 121.309 119.914 -0.220 0.000 2.453 73 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 73 V C 2.224 178.074 176.094 -0.407 0.000 1.048 73 V CA 1.491 63.302 62.300 -0.815 0.000 1.049 73 V CB -0.366 30.981 31.823 -0.793 0.000 0.672 73 V HN 0.363 nan 8.190 nan 0.000 0.457 74 R N -0.709 119.681 120.500 -0.184 0.000 2.081 74 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 74 R C 2.421 178.676 176.300 -0.075 0.000 1.131 74 R CA 1.922 57.963 56.100 -0.098 0.000 0.960 74 R CB -0.342 29.925 30.300 -0.055 0.000 0.856 74 R HN 0.598 nan 8.270 nan 0.000 0.436 75 Q N 0.232 119.994 119.800 -0.064 0.000 2.050 75 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 75 Q C 2.188 178.169 176.000 -0.031 0.000 0.980 75 Q CA 1.777 57.565 55.803 -0.024 0.000 0.840 75 Q CB 0.031 28.774 28.738 0.008 0.000 0.898 75 Q HN 0.177 nan 8.270 nan 0.000 0.424 76 Q N 0.606 120.354 119.800 -0.087 0.000 2.079 76 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 76 Q C 1.840 177.799 176.000 -0.069 0.000 0.974 76 Q CA 1.249 57.016 55.803 -0.061 0.000 0.840 76 Q CB -0.210 28.498 28.738 -0.051 0.000 0.898 76 Q HN 0.386 nan 8.270 nan 0.000 0.430 77 L N 0.028 121.175 121.223 -0.127 0.000 2.127 77 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 77 L C 2.361 179.226 176.870 -0.009 0.000 1.089 77 L CA 1.103 55.906 54.840 -0.061 0.000 0.757 77 L CB -0.724 41.328 42.059 -0.012 0.000 0.899 77 L HN 0.343 nan 8.230 nan 0.000 0.434 78 A N -0.312 122.509 122.820 0.001 0.000 2.067 78 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 78 A C 2.282 179.893 177.584 0.046 0.000 1.158 78 A CA 1.818 53.869 52.037 0.023 0.000 0.661 78 A CB -0.697 18.314 19.000 0.018 0.000 0.801 78 A HN 0.522 nan 8.150 nan 0.000 0.452 79 T N -3.717 110.873 114.554 0.060 0.000 3.107 79 T HA 0.057 4.407 4.350 -0.000 0.000 0.249 79 T C 0.371 175.178 174.700 0.179 0.000 1.096 79 T CA 0.598 62.763 62.100 0.108 0.000 1.012 79 T CB -0.076 68.861 68.868 0.115 0.000 0.977 79 T HN 0.296 nan 8.240 nan 0.000 0.527 80 D N 2.270 122.733 120.400 0.104 0.000 2.370 80 D HA 0.116 4.756 4.640 -0.000 0.000 0.230 80 D C 0.587 176.903 176.300 0.025 0.000 1.143 80 D CA -0.038 53.994 54.000 0.052 0.000 0.834 80 D CB -0.403 40.341 40.800 -0.092 0.000 0.944 80 D HN 0.434 nan 8.370 nan 0.000 0.504 81 N N 0.612 119.368 118.700 0.093 0.000 2.754 81 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 81 N C -1.206 174.315 175.510 0.019 0.000 1.093 81 N CA 0.404 53.497 53.050 0.072 0.000 0.699 81 N CB -1.499 37.050 38.487 0.104 0.000 1.016 81 N HN 0.289 nan 8.380 nan 0.000 0.552 82 I N -0.023 120.555 120.570 0.013 0.000 2.436 82 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 82 I C -0.007 176.132 176.117 0.037 0.000 1.010 82 I CA -1.005 60.301 61.300 0.009 0.000 1.098 82 I CB 1.458 39.453 38.000 -0.008 0.000 1.266 82 I HN 0.092 nan 8.210 nan 0.000 0.434 83 D N 7.079 127.504 120.400 0.042 0.000 2.346 83 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 83 D C 0.717 177.057 176.300 0.066 0.000 1.252 83 D CA -0.019 54.007 54.000 0.044 0.000 0.895 83 D CB 0.807 41.628 40.800 0.036 0.000 1.097 83 D HN 0.525 nan 8.370 nan 0.000 0.489 84 I N 0.680 121.282 120.570 0.054 0.000 3.861 84 I HA 0.085 4.255 4.170 -0.000 0.000 0.329 84 I C 1.293 177.417 176.117 0.011 0.000 1.321 84 I CA -0.494 60.837 61.300 0.052 0.000 1.126 84 I CB -0.062 37.963 38.000 0.041 0.000 1.018 84 I HN 0.065 nan 8.210 nan 0.000 0.407 85 T N 2.972 117.532 114.554 0.010 0.000 2.649 85 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 85 T C -0.452 174.235 174.700 -0.022 0.000 1.036 85 T CA 2.273 64.370 62.100 -0.004 0.000 1.157 85 T CB -1.305 67.564 68.868 0.001 0.000 0.861 85 T HN 0.460 nan 8.240 nan 0.000 0.445 86 P HA 0.266 nan 4.420 nan 0.000 0.255 86 P C -0.479 176.752 177.300 -0.114 0.000 1.301 86 P CA 0.133 63.200 63.100 -0.055 0.000 0.817 86 P CB -0.219 31.458 31.700 -0.039 0.000 1.259 87 V N 0.603 120.443 119.914 -0.123 0.000 2.405 87 V HA 0.114 4.234 4.120 -0.000 0.000 0.264 87 V C 0.828 176.848 176.094 -0.123 0.000 1.048 87 V CA 0.261 62.451 62.300 -0.184 0.000 0.966 87 V CB 0.436 32.155 31.823 -0.173 0.000 1.015 87 V HN 0.068 nan 8.190 nan 0.000 0.477 88 S N 3.933 119.557 115.700 -0.127 0.000 2.610 88 S HA 0.540 5.010 4.470 -0.000 0.000 0.273 88 S C -0.163 174.394 174.600 -0.072 0.000 1.274 88 S CA -0.491 57.658 58.200 -0.085 0.000 1.023 88 S CB 1.725 64.880 63.200 -0.075 0.000 0.962 88 S HN 0.465 nan 8.310 nan 0.000 0.523 89 V N 4.297 124.182 119.914 -0.049 0.000 2.347 89 V HA 0.345 4.465 4.120 -0.000 0.000 0.280 89 V C -0.401 175.677 176.094 -0.027 0.000 1.021 89 V CA -0.619 61.660 62.300 -0.035 0.000 0.847 89 V CB 1.062 32.871 31.823 -0.024 0.000 0.990 89 V HN 0.669 nan 8.190 nan 0.000 0.444 90 I N 5.852 126.408 120.570 -0.024 0.000 2.297 90 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 90 I C 0.663 176.776 176.117 -0.007 0.000 1.033 90 I CA -0.707 60.582 61.300 -0.018 0.000 1.253 90 I CB 0.972 38.958 38.000 -0.022 0.000 1.396 90 I HN 0.535 nan 8.210 nan 0.000 0.476 91 K N 4.654 125.051 120.400 -0.006 0.000 2.511 91 K HA 0.114 4.434 4.320 -0.000 0.000 0.280 91 K C 1.228 177.830 176.600 0.004 0.000 1.008 91 K CA 0.671 56.957 56.287 -0.000 0.000 1.050 91 K CB 0.323 32.822 32.500 -0.001 0.000 0.889 91 K HN 0.944 nan 8.250 nan 0.000 0.484 92 G N 2.105 110.910 108.800 0.009 0.000 2.234 92 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 92 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 92 G C 0.096 175.008 174.900 0.020 0.000 0.987 92 G CA 0.247 45.355 45.100 0.013 0.000 0.625 92 G HN 0.613 nan 8.290 nan 0.000 0.532 93 E N 0.785 120.996 120.200 0.019 0.000 2.222 93 E HA 0.559 4.909 4.350 -0.000 0.000 0.272 93 E C 0.474 177.098 176.600 0.040 0.000 0.982 93 E CA 0.091 56.508 56.400 0.029 0.000 0.842 93 E CB 1.337 31.045 29.700 0.013 0.000 1.144 93 E HN 0.439 nan 8.360 nan 0.000 0.397 94 S N 0.948 116.689 115.700 0.068 0.000 2.646 94 S HA 0.341 4.811 4.470 -0.000 0.000 0.276 94 S C 0.214 174.861 174.600 0.080 0.000 1.222 94 S CA -0.820 57.430 58.200 0.083 0.000 1.014 94 S CB 1.543 64.808 63.200 0.109 0.000 0.991 94 S HN 0.340 nan 8.310 nan 0.000 0.533 95 T N 1.790 116.395 114.554 0.084 0.000 2.898 95 T HA 0.464 4.814 4.350 -0.000 0.000 0.301 95 T C 1.007 175.770 174.700 0.105 0.000 1.049 95 T CA 0.292 62.438 62.100 0.077 0.000 1.095 95 T CB 0.171 69.093 68.868 0.090 0.000 0.976 95 T HN 0.945 nan 8.240 nan 0.000 0.539 96 G N 0.934 109.773 108.800 0.065 0.000 2.391 96 G HA2 0.368 4.328 3.960 -0.000 0.000 0.234 96 G HA3 0.368 4.328 3.960 -0.000 0.000 0.234 96 G C -0.710 174.271 174.900 0.135 0.000 1.284 96 G CA -0.295 44.844 45.100 0.065 0.000 0.873 96 G HN 0.619 nan 8.290 nan 0.000 0.549 97 V N 1.316 121.325 119.914 0.158 0.000 2.709 97 V HA 0.721 4.841 4.120 -0.000 0.000 0.308 97 V C 0.236 176.406 176.094 0.127 0.000 1.062 97 V CA -0.566 61.835 62.300 0.168 0.000 0.901 97 V CB 1.750 33.656 31.823 0.138 0.000 1.003 97 V HN 1.205 nan 8.190 nan 0.000 0.425 98 A N 5.418 128.320 122.820 0.136 0.000 2.342 98 A HA 0.902 5.222 4.320 -0.000 0.000 0.323 98 A C -0.976 176.650 177.584 0.069 0.000 1.125 98 A CA -0.567 51.517 52.037 0.079 0.000 0.785 98 A CB 0.968 20.006 19.000 0.063 0.000 1.221 98 A HN 0.787 nan 8.150 nan 0.000 0.463 99 L N 3.486 124.690 121.223 -0.033 0.000 2.272 99 L HA 0.530 4.870 4.340 -0.000 0.000 0.289 99 L C -0.774 175.974 176.870 -0.203 0.000 1.032 99 L CA -0.120 54.649 54.840 -0.119 0.000 0.810 99 L CB 0.877 42.808 42.059 -0.214 0.000 1.205 99 L HN 0.547 nan 8.230 nan 0.000 0.422 100 I N 3.085 123.559 120.570 -0.161 0.000 2.466 100 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 100 I C -0.920 175.169 176.117 -0.047 0.000 1.026 100 I CA -0.439 60.799 61.300 -0.104 0.000 1.078 100 I CB 2.078 40.094 38.000 0.026 0.000 1.249 100 I HN 0.313 nan 8.210 nan 0.000 0.429 101 F N 5.366 125.418 119.950 0.169 0.000 2.421 101 F HA 0.511 5.038 4.527 -0.000 0.000 0.337 101 F C 0.179 176.184 175.800 0.341 0.000 1.105 101 F CA -1.052 57.103 58.000 0.258 0.000 1.049 101 F CB 1.812 41.020 39.000 0.347 0.000 1.139 101 F HN -0.022 nan 8.300 nan 0.000 0.479 102 V N 4.270 124.455 119.914 0.451 0.000 2.409 102 V HA 0.327 4.447 4.120 -0.000 0.000 0.291 102 V C -0.175 175.948 176.094 0.049 0.000 1.020 102 V CA -1.042 61.421 62.300 0.272 0.000 0.848 102 V CB 1.362 33.288 31.823 0.170 0.000 0.990 102 V HN 0.786 nan 8.190 nan 0.000 0.430 103 N N 3.847 122.426 118.700 -0.203 0.000 2.364 103 N HA 0.288 5.028 4.740 -0.000 0.000 0.264 103 N C 1.338 176.714 175.510 -0.223 0.000 1.263 103 N CA 0.031 52.786 53.050 -0.492 0.000 0.959 103 N CB 0.777 38.571 38.487 -1.155 0.000 1.204 103 N HN 0.506 nan 8.380 nan 0.000 0.550 104 G N -0.944 107.726 108.800 -0.217 0.000 2.443 104 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 104 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 104 G C 0.764 175.612 174.900 -0.087 0.000 1.131 104 G CA 0.471 45.500 45.100 -0.119 0.000 0.775 104 G HN 0.673 nan 8.290 nan 0.000 0.547 105 E N -0.587 119.551 120.200 -0.102 0.000 2.371 105 E HA 0.296 4.646 4.350 -0.000 0.000 0.194 105 E C 1.903 178.490 176.600 -0.022 0.000 1.012 105 E CA 0.669 57.038 56.400 -0.052 0.000 0.860 105 E CB 0.033 29.708 29.700 -0.041 0.000 0.811 105 E HN 0.386 nan 8.360 nan 0.000 0.502 106 G N 0.543 109.329 108.800 -0.023 0.000 2.195 106 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.224 106 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.224 106 G C -0.110 174.834 174.900 0.074 0.000 0.990 106 G CA -0.085 45.027 45.100 0.021 0.000 0.639 106 G HN 0.305 nan 8.290 nan 0.000 0.514 107 E N 1.394 121.659 120.200 0.109 0.000 2.398 107 E HA 0.389 4.739 4.350 -0.000 0.000 0.263 107 E C 0.457 177.285 176.600 0.380 0.000 1.046 107 E CA 0.268 56.806 56.400 0.229 0.000 0.908 107 E CB 0.393 30.275 29.700 0.303 0.000 0.963 107 E HN 0.716 nan 8.360 nan 0.000 0.431 108 N N 0.034 118.916 118.700 0.304 0.000 2.292 108 N HA 0.516 5.256 4.740 -0.000 0.000 0.303 108 N C -1.012 174.575 175.510 0.128 0.000 1.140 108 N CA -0.820 52.408 53.050 0.297 0.000 0.788 108 N CB 2.019 40.613 38.487 0.177 0.000 1.361 108 N HN 0.246 nan 8.380 nan 0.000 0.489 109 V N -1.779 118.165 119.914 0.050 0.000 2.769 109 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 109 V C -0.595 175.473 176.094 -0.043 0.000 1.061 109 V CA -0.814 61.439 62.300 -0.078 0.000 0.931 109 V CB 1.606 33.286 31.823 -0.238 0.000 1.010 109 V HN 0.694 nan 8.190 nan 0.000 0.433 110 I N 3.185 123.722 120.570 -0.055 0.000 2.500 110 I HA 0.644 4.814 4.170 -0.000 0.000 0.286 110 I C 0.407 176.490 176.117 -0.057 0.000 1.063 110 I CA -0.436 60.833 61.300 -0.051 0.000 1.062 110 I CB 1.895 39.886 38.000 -0.014 0.000 1.223 110 I HN 0.947 nan 8.210 nan 0.000 0.435 111 G N 7.069 115.821 108.800 -0.080 0.000 2.379 111 G HA2 0.784 4.744 3.960 -0.000 0.000 0.327 111 G HA3 0.784 4.744 3.960 -0.000 0.000 0.327 111 G C -0.883 174.003 174.900 -0.023 0.000 1.145 111 G CA -0.385 44.682 45.100 -0.055 0.000 0.905 111 G HN 0.475 nan 8.290 nan 0.000 0.466 112 I N 0.879 121.453 120.570 0.006 0.000 2.509 112 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 112 I C -0.891 175.273 176.117 0.077 0.000 1.020 112 I CA -1.025 60.296 61.300 0.034 0.000 1.088 112 I CB 2.534 40.545 38.000 0.019 0.000 1.267 112 I HN 0.587 nan 8.210 nan 0.000 0.430 113 H N 5.220 124.284 119.070 -0.010 0.000 2.581 113 H HA 0.503 5.059 4.556 -0.000 0.000 0.308 113 H C 0.443 175.774 175.328 0.005 0.000 1.040 113 H CA -0.399 55.645 56.048 -0.007 0.000 1.231 113 H CB 1.790 31.544 29.762 -0.012 0.000 1.396 113 H HN 0.702 nan 8.280 nan 0.000 0.467 114 A N 4.303 126.910 122.820 -0.355 0.000 1.902 114 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 114 A C 1.948 179.318 177.584 -0.357 0.000 1.181 114 A CA 1.330 53.206 52.037 -0.269 0.000 0.623 114 A CB -1.214 17.678 19.000 -0.179 0.000 0.818 114 A HN 1.242 nan 8.150 nan 0.000 0.443 115 G N -1.330 107.054 108.800 -0.693 0.000 2.611 115 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.301 115 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.301 115 G C 1.388 176.194 174.900 -0.157 0.000 1.233 115 G CA 1.736 46.602 45.100 -0.391 0.000 0.993 115 G HN 1.600 nan 8.290 nan 0.000 0.553 116 A N -0.179 122.596 122.820 -0.075 0.000 2.131 116 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 116 A C 2.135 179.679 177.584 -0.066 0.000 1.158 116 A CA 2.206 54.212 52.037 -0.053 0.000 0.665 116 A CB -0.495 18.486 19.000 -0.032 0.000 0.795 116 A HN 0.650 nan 8.150 nan 0.000 0.460 117 N N 0.393 119.047 118.700 -0.077 0.000 2.381 117 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 117 N C 1.666 177.137 175.510 -0.064 0.000 1.025 117 N CA 1.234 54.245 53.050 -0.065 0.000 0.888 117 N CB -0.276 38.180 38.487 -0.052 0.000 0.965 117 N HN 0.524 nan 8.380 nan 0.000 0.438 118 A N 0.457 123.231 122.820 -0.077 0.000 2.167 118 A HA 0.258 4.578 4.320 -0.000 0.000 0.214 118 A C 2.060 179.616 177.584 -0.048 0.000 1.151 118 A CA 0.925 52.925 52.037 -0.062 0.000 0.735 118 A CB -0.090 18.867 19.000 -0.072 0.000 0.802 118 A HN 0.255 nan 8.150 nan 0.000 0.467 119 A N -0.805 121.985 122.820 -0.050 0.000 2.251 119 A HA 0.339 4.659 4.320 -0.000 0.000 0.209 119 A C 0.981 178.539 177.584 -0.044 0.000 1.187 119 A CA -0.168 51.844 52.037 -0.041 0.000 0.823 119 A CB -0.381 18.595 19.000 -0.039 0.000 0.846 119 A HN 0.448 nan 8.150 nan 0.000 0.486 120 L N 2.752 123.945 121.223 -0.050 0.000 2.574 120 L HA 0.094 4.434 4.340 -0.000 0.000 0.281 120 L C 0.506 177.353 176.870 -0.038 0.000 1.212 120 L CA -0.375 54.433 54.840 -0.052 0.000 1.082 120 L CB -0.202 41.821 42.059 -0.060 0.000 1.362 120 L HN 0.503 nan 8.230 nan 0.000 0.451 121 S N 2.684 118.364 115.700 -0.033 0.000 2.722 121 S HA 0.526 4.996 4.470 -0.000 0.000 0.292 121 S C -1.896 172.691 174.600 -0.021 0.000 1.135 121 S CA -1.383 56.802 58.200 -0.024 0.000 1.003 121 S CB 1.417 64.604 63.200 -0.022 0.000 1.067 121 S HN 0.258 nan 8.310 nan 0.000 0.546 122 P HA -0.065 nan 4.420 nan 0.000 0.215 122 P C 1.602 178.895 177.300 -0.012 0.000 1.153 122 P CA 1.990 65.083 63.100 -0.011 0.000 0.853 122 P CB -0.259 31.436 31.700 -0.009 0.000 0.788 123 A N -0.641 122.171 122.820 -0.013 0.000 1.917 123 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 123 A C 2.225 179.799 177.584 -0.017 0.000 1.182 123 A CA 1.600 53.629 52.037 -0.013 0.000 0.633 123 A CB -1.699 17.293 19.000 -0.013 0.000 0.819 123 A HN 0.141 nan 8.150 nan 0.000 0.448 124 L N -0.786 120.424 121.223 -0.022 0.000 2.093 124 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 124 L C 2.510 179.365 176.870 -0.026 0.000 1.085 124 L CA 0.770 55.593 54.840 -0.028 0.000 0.755 124 L CB -0.336 41.699 42.059 -0.040 0.000 0.904 124 L HN 0.263 nan 8.230 nan 0.000 0.435 125 V N -0.146 119.756 119.914 -0.021 0.000 2.343 125 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 125 V C 2.480 178.568 176.094 -0.009 0.000 1.051 125 V CA 1.905 64.196 62.300 -0.014 0.000 1.036 125 V CB -0.355 31.462 31.823 -0.009 0.000 0.654 125 V HN 0.442 nan 8.190 nan 0.000 0.451 126 E N 1.020 121.215 120.200 -0.009 0.000 2.118 126 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 126 E C 2.022 178.618 176.600 -0.007 0.000 0.992 126 E CA 1.670 58.066 56.400 -0.006 0.000 0.804 126 E CB -0.456 29.241 29.700 -0.005 0.000 0.741 126 E HN 0.542 nan 8.360 nan 0.000 0.458 127 A N -0.100 122.714 122.820 -0.011 0.000 2.121 127 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 127 A C 1.595 179.172 177.584 -0.011 0.000 1.154 127 A CA 0.980 53.010 52.037 -0.012 0.000 0.679 127 A CB -0.115 18.875 19.000 -0.016 0.000 0.795 127 A HN 0.164 nan 8.150 nan 0.000 0.458 128 Q N -0.888 118.905 119.800 -0.011 0.000 2.204 128 Q HA 0.145 4.485 4.340 -0.000 0.000 0.209 128 Q C 1.470 177.468 176.000 -0.002 0.000 0.861 128 Q CA -0.074 55.724 55.803 -0.008 0.000 0.971 128 Q CB 0.077 28.808 28.738 -0.010 0.000 1.095 128 Q HN 0.777 nan 8.270 nan 0.000 0.486 129 R N 1.172 121.671 120.500 -0.002 0.000 2.133 129 R HA -0.208 4.132 4.340 -0.000 0.000 0.245 129 R C 1.222 177.523 176.300 0.002 0.000 1.137 129 R CA 1.732 57.833 56.100 0.001 0.000 0.947 129 R CB 0.381 30.681 30.300 0.001 0.000 0.865 129 R HN 0.085 nan 8.270 nan 0.000 0.437 130 E N -0.070 120.130 120.200 -0.000 0.000 2.106 130 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 130 E C 1.946 178.547 176.600 0.001 0.000 0.984 130 E CA 0.885 57.285 56.400 -0.001 0.000 0.806 130 E CB -0.336 29.363 29.700 -0.002 0.000 0.750 130 E HN 0.399 nan 8.360 nan 0.000 0.458 131 R N 0.555 121.056 120.500 0.002 0.000 2.115 131 R HA 0.015 4.355 4.340 -0.000 0.000 0.230 131 R C 2.263 178.566 176.300 0.006 0.000 1.111 131 R CA 0.733 56.836 56.100 0.004 0.000 0.976 131 R CB -0.067 30.236 30.300 0.005 0.000 0.870 131 R HN 0.138 nan 8.270 nan 0.000 0.445 132 I N 0.248 120.823 120.570 0.007 0.000 2.500 132 I HA -0.086 4.084 4.170 -0.000 0.000 0.252 132 I C 2.349 178.470 176.117 0.007 0.000 1.142 132 I CA 0.769 62.076 61.300 0.010 0.000 1.451 132 I CB -0.136 37.872 38.000 0.013 0.000 1.093 132 I HN 0.207 nan 8.210 nan 0.000 0.430 133 A N 0.784 123.606 122.820 0.004 0.000 1.968 133 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 133 A C 1.834 179.415 177.584 -0.004 0.000 1.169 133 A CA 1.407 53.444 52.037 -0.001 0.000 0.638 133 A CB -0.383 18.616 19.000 -0.002 0.000 0.812 133 A HN 0.351 nan 8.150 nan 0.000 0.446 134 N N 0.023 118.722 118.700 -0.003 0.000 2.398 134 N HA 0.227 4.967 4.740 -0.000 0.000 0.188 134 N C 0.425 175.933 175.510 -0.004 0.000 1.122 134 N CA 0.724 53.772 53.050 -0.004 0.000 0.866 134 N CB -0.087 38.398 38.487 -0.003 0.000 0.970 134 N HN 0.472 nan 8.380 nan 0.000 0.462 135 A N -0.364 122.455 122.820 -0.002 0.000 2.304 135 A HA 0.429 4.749 4.320 -0.000 0.000 0.271 135 A C 1.184 178.764 177.584 -0.006 0.000 1.091 135 A CA -0.332 51.704 52.037 -0.002 0.000 0.812 135 A CB 0.558 19.560 19.000 0.004 0.000 1.056 135 A HN 0.151 nan 8.150 nan 0.000 0.489 136 S N -0.176 115.518 115.700 -0.009 0.000 2.446 136 S HA 0.372 4.842 4.470 -0.000 0.000 0.225 136 S C 0.687 175.280 174.600 -0.011 0.000 1.016 136 S CA 0.919 59.111 58.200 -0.013 0.000 0.943 136 S CB -0.070 63.118 63.200 -0.019 0.000 0.786 136 S HN 1.346 nan 8.310 nan 0.000 0.508 137 A N 0.707 123.523 122.820 -0.008 0.000 2.547 137 A HA 0.684 5.004 4.320 -0.000 0.000 0.297 137 A C -1.785 175.801 177.584 0.004 0.000 1.056 137 A CA -0.637 51.397 52.037 -0.004 0.000 0.688 137 A CB 1.124 20.116 19.000 -0.014 0.000 1.282 137 A HN 0.169 nan 8.150 nan 0.000 0.400 138 L N 1.988 123.218 121.223 0.011 0.000 2.313 138 L HA 0.802 5.142 4.340 -0.000 0.000 0.283 138 L C -1.249 175.632 176.870 0.019 0.000 1.013 138 L CA -0.708 54.144 54.840 0.020 0.000 0.816 138 L CB 1.303 43.378 42.059 0.027 0.000 1.236 138 L HN 0.711 nan 8.230 nan 0.000 0.419 139 L N 6.234 127.469 121.223 0.020 0.000 2.313 139 L HA 0.736 5.076 4.340 -0.000 0.000 0.283 139 L C -0.965 175.925 176.870 0.034 0.000 1.013 139 L CA -0.018 54.832 54.840 0.017 0.000 0.816 139 L CB 1.315 43.371 42.059 -0.005 0.000 1.236 139 L HN 0.727 nan 8.230 nan 0.000 0.419 140 M N 3.470 123.090 119.600 0.033 0.000 2.631 140 M HA 0.540 5.020 4.480 -0.000 0.000 0.288 140 M C -1.020 175.302 176.300 0.037 0.000 1.260 140 M CA -0.714 54.611 55.300 0.042 0.000 0.842 140 M CB 2.522 35.145 32.600 0.038 0.000 1.743 140 M HN 0.543 nan 8.290 nan 0.000 0.461 141 Q N 0.273 120.098 119.800 0.041 0.000 3.274 141 Q HA 0.642 4.982 4.340 -0.000 0.000 0.303 141 Q C -0.455 175.563 176.000 0.029 0.000 1.005 141 Q CA -0.756 55.068 55.803 0.035 0.000 0.831 141 Q CB 1.128 29.889 28.738 0.038 0.000 1.538 141 Q HN 0.676 nan 8.270 nan 0.000 0.481 142 L N 0.809 122.047 121.223 0.025 0.000 3.066 142 L HA 0.331 4.671 4.340 -0.000 0.000 0.265 142 L C 0.216 177.095 176.870 0.014 0.000 1.232 142 L CA 0.205 55.056 54.840 0.017 0.000 1.031 142 L CB 0.361 42.428 42.059 0.013 0.000 1.379 142 L HN 0.582 nan 8.230 nan 0.000 0.563 143 E N -0.206 120.007 120.200 0.020 0.000 2.437 143 E HA 0.138 4.488 4.350 -0.000 0.000 0.189 143 E C 0.055 176.660 176.600 0.008 0.000 1.054 143 E CA -0.100 56.309 56.400 0.015 0.000 0.874 143 E CB 0.543 30.258 29.700 0.025 0.000 1.011 143 E HN 0.256 nan 8.360 nan 0.000 0.474 144 S N 1.350 117.056 115.700 0.009 0.000 2.607 144 S HA 0.405 4.875 4.470 -0.000 0.000 0.303 144 S C -2.562 172.034 174.600 -0.006 0.000 1.086 144 S CA -1.510 56.689 58.200 -0.002 0.000 0.995 144 S CB 1.471 64.674 63.200 0.005 0.000 1.084 144 S HN -0.093 nan 8.310 nan 0.000 0.507 145 P HA 0.039 nan 4.420 nan 0.000 0.261 145 P C 0.727 178.023 177.300 -0.007 0.000 1.183 145 P CA -0.199 62.894 63.100 -0.012 0.000 0.761 145 P CB 0.258 31.948 31.700 -0.016 0.000 0.785 146 L N 4.631 125.851 121.223 -0.005 0.000 2.187 146 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 146 L C 1.626 178.494 176.870 -0.004 0.000 1.100 146 L CA 1.974 56.813 54.840 -0.003 0.000 0.765 146 L CB -0.820 41.237 42.059 -0.003 0.000 0.904 146 L HN 0.289 nan 8.230 nan 0.000 0.437 147 E N -0.866 119.330 120.200 -0.006 0.000 2.077 147 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 147 E C 2.161 178.758 176.600 -0.005 0.000 0.989 147 E CA 1.524 57.921 56.400 -0.006 0.000 0.800 147 E CB -0.342 29.354 29.700 -0.008 0.000 0.746 147 E HN 0.474 nan 8.360 nan 0.000 0.452 148 S N 0.109 115.806 115.700 -0.006 0.000 2.395 148 S HA -0.070 4.400 4.470 -0.000 0.000 0.225 148 S C 2.147 176.747 174.600 0.000 0.000 1.027 148 S CA 0.675 58.871 58.200 -0.006 0.000 0.965 148 S CB -0.117 63.077 63.200 -0.011 0.000 0.812 148 S HN 0.042 nan 8.310 nan 0.000 0.482 149 V N 1.856 121.771 119.914 0.002 0.000 2.392 149 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 149 V C 2.306 178.404 176.094 0.006 0.000 1.059 149 V CA 2.029 64.334 62.300 0.008 0.000 1.051 149 V CB -0.575 31.254 31.823 0.009 0.000 0.658 149 V HN 0.442 nan 8.190 nan 0.000 0.455 150 M N 0.641 120.242 119.600 0.001 0.000 2.123 150 M HA 0.030 4.510 4.480 -0.000 0.000 0.263 150 M C 2.064 178.365 176.300 0.001 0.000 1.069 150 M CA 2.106 57.405 55.300 -0.002 0.000 1.133 150 M CB -0.587 32.010 32.600 -0.006 0.000 1.356 150 M HN 0.214 nan 8.290 nan 0.000 0.415 151 A N -0.291 122.530 122.820 0.002 0.000 1.972 151 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 151 A C 2.272 179.862 177.584 0.011 0.000 1.169 151 A CA 1.845 53.885 52.037 0.005 0.000 0.635 151 A CB -1.217 17.784 19.000 0.001 0.000 0.810 151 A HN 0.634 nan 8.150 nan 0.000 0.446 152 A N -0.521 122.306 122.820 0.012 0.000 1.935 152 A HA 0.381 4.701 4.320 -0.000 0.000 0.214 152 A C 2.420 180.021 177.584 0.028 0.000 1.178 152 A CA 1.423 53.470 52.037 0.018 0.000 0.640 152 A CB -0.780 18.230 19.000 0.016 0.000 0.825 152 A HN 0.914 nan 8.150 nan 0.000 0.447 153 A N 0.183 123.019 122.820 0.026 0.000 1.930 153 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 153 A C 2.076 179.693 177.584 0.056 0.000 1.175 153 A CA 1.679 53.737 52.037 0.036 0.000 0.627 153 A CB -0.387 18.625 19.000 0.020 0.000 0.815 153 A HN 0.495 nan 8.150 nan 0.000 0.443 154 K N -0.516 119.908 120.400 0.039 0.000 2.057 154 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 154 K C 1.775 178.425 176.600 0.083 0.000 1.049 154 K CA 1.549 57.869 56.287 0.055 0.000 0.931 154 K CB -0.335 32.181 32.500 0.026 0.000 0.714 154 K HN 0.543 nan 8.250 nan 0.000 0.440 155 I N 0.731 121.333 120.570 0.053 0.000 2.286 155 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 155 I C 2.496 178.641 176.117 0.046 0.000 1.104 155 I CA 0.836 62.162 61.300 0.043 0.000 1.397 155 I CB -0.344 37.671 38.000 0.025 0.000 1.072 155 I HN 0.126 nan 8.210 nan 0.000 0.417 156 A N 0.418 123.270 122.820 0.052 0.000 1.892 156 A HA -0.351 3.969 4.320 -0.000 0.000 0.218 156 A C 2.200 179.819 177.584 0.059 0.000 1.188 156 A CA 2.484 54.550 52.037 0.048 0.000 0.631 156 A CB -1.139 17.892 19.000 0.052 0.000 0.822 156 A HN 0.566 nan 8.150 nan 0.000 0.447 157 H N -0.362 118.710 119.070 0.003 0.000 2.321 157 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 157 H C 2.116 177.445 175.328 0.002 0.000 1.087 157 H CA 2.147 58.197 56.048 0.004 0.000 1.319 157 H CB -0.272 29.493 29.762 0.005 0.000 1.379 157 H HN 0.597 nan 8.280 nan 0.000 0.501 158 Q N -0.380 119.436 119.800 0.028 0.000 2.248 158 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 158 Q C 0.746 176.701 176.000 -0.074 0.000 0.984 158 Q CA 1.353 57.138 55.803 -0.030 0.000 0.875 158 Q CB 0.112 28.869 28.738 0.031 0.000 0.910 158 Q HN 0.595 nan 8.270 nan 0.000 0.433 159 N N -0.230 118.435 118.700 -0.057 0.000 2.282 159 N HA 0.109 4.849 4.740 -0.000 0.000 0.240 159 N C -0.891 174.586 175.510 -0.055 0.000 1.182 159 N CA 0.019 53.041 53.050 -0.047 0.000 0.874 159 N CB 0.901 39.376 38.487 -0.021 0.000 1.126 159 N HN 0.083 nan 8.380 nan 0.000 0.516 160 K N 0.205 120.552 120.400 -0.089 0.000 3.071 160 K HA -0.119 4.201 4.320 -0.000 0.000 0.265 160 K C -0.743 175.834 176.600 -0.039 0.000 1.060 160 K CA 0.609 56.850 56.287 -0.076 0.000 0.767 160 K CB -1.799 30.661 32.500 -0.066 0.000 1.241 160 K HN 0.121 nan 8.250 nan 0.000 0.486 161 T N 1.287 115.827 114.554 -0.023 0.000 2.743 161 T HA 0.384 4.734 4.350 -0.000 0.000 0.293 161 T C 0.763 175.467 174.700 0.006 0.000 0.945 161 T CA -0.624 61.473 62.100 -0.006 0.000 1.030 161 T CB 0.668 69.539 68.868 0.004 0.000 0.912 161 T HN 0.127 nan 8.240 nan 0.000 0.483 162 I N 3.196 123.768 120.570 0.004 0.000 2.752 162 I HA 0.009 4.179 4.170 -0.000 0.000 0.289 162 I C 0.190 176.320 176.117 0.022 0.000 1.197 162 I CA 0.029 61.337 61.300 0.013 0.000 1.432 162 I CB 0.386 38.387 38.000 0.002 0.000 1.359 162 I HN 0.259 nan 8.210 nan 0.000 0.571 163 V N 7.004 126.940 119.914 0.036 0.000 2.333 163 V HA 0.522 4.642 4.120 -0.000 0.000 0.274 163 V C 0.387 176.499 176.094 0.030 0.000 1.028 163 V CA -0.474 61.849 62.300 0.037 0.000 0.851 163 V CB 1.026 32.879 31.823 0.051 0.000 1.000 163 V HN 0.825 nan 8.190 nan 0.000 0.456 164 A N 6.004 128.837 122.820 0.022 0.000 2.287 164 A HA 0.851 5.171 4.320 -0.000 0.000 0.317 164 A C -1.073 176.525 177.584 0.023 0.000 1.220 164 A CA -0.472 51.577 52.037 0.019 0.000 0.835 164 A CB 1.100 20.104 19.000 0.006 0.000 1.180 164 A HN 0.747 nan 8.150 nan 0.000 0.500 165 L N 2.543 123.783 121.223 0.028 0.000 2.362 165 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 165 L C -0.367 176.525 176.870 0.036 0.000 0.998 165 L CA -0.339 54.518 54.840 0.029 0.000 0.820 165 L CB 1.653 43.727 42.059 0.025 0.000 1.270 165 L HN 0.751 nan 8.230 nan 0.000 0.415 166 N N 6.138 124.860 118.700 0.037 0.000 2.558 166 N HA 0.425 5.165 4.740 -0.000 0.000 0.242 166 N C -2.509 173.021 175.510 0.034 0.000 0.979 166 N CA -1.641 51.436 53.050 0.045 0.000 0.931 166 N CB 1.661 40.178 38.487 0.050 0.000 1.122 166 N HN 0.403 nan 8.380 nan 0.000 0.508 167 P HA 0.215 nan 4.420 nan 0.000 0.231 167 P C -1.403 175.909 177.300 0.019 0.000 1.811 167 P CA -0.065 63.048 63.100 0.021 0.000 1.051 167 P CB 0.233 31.942 31.700 0.016 0.000 1.951 168 A N 3.902 126.735 122.820 0.021 0.000 2.449 168 A HA 0.776 5.096 4.320 -0.000 0.000 0.302 168 A C -2.939 174.656 177.584 0.018 0.000 1.048 168 A CA -2.145 49.904 52.037 0.019 0.000 0.708 168 A CB 1.298 20.313 19.000 0.024 0.000 1.274 168 A HN 0.085 nan 8.150 nan 0.000 0.410 169 P HA 0.373 nan 4.420 nan 0.000 0.274 169 P C -0.076 177.228 177.300 0.007 0.000 1.246 169 P CA -0.102 63.004 63.100 0.010 0.000 0.795 169 P CB 0.630 32.334 31.700 0.006 0.000 1.006 170 A N 2.508 125.331 122.820 0.005 0.000 2.548 170 A HA 0.337 4.657 4.320 -0.000 0.000 0.247 170 A C 0.624 178.209 177.584 0.001 0.000 1.067 170 A CA 0.549 52.588 52.037 0.003 0.000 0.757 170 A CB -0.726 18.274 19.000 0.000 0.000 0.996 170 A HN 0.692 nan 8.150 nan 0.000 0.504 171 R N 1.597 122.098 120.500 0.001 0.000 2.747 171 R HA 0.535 4.875 4.340 -0.000 0.000 0.272 171 R C -1.179 175.120 176.300 -0.001 0.000 1.032 171 R CA -0.906 55.194 56.100 -0.001 0.000 0.896 171 R CB 0.882 31.182 30.300 -0.000 0.000 1.253 171 R HN 0.554 nan 8.270 nan 0.000 0.461 172 E N 0.685 120.884 120.200 -0.002 0.000 2.319 172 E HA 0.390 4.740 4.350 -0.000 0.000 0.268 172 E C -0.723 175.876 176.600 -0.002 0.000 1.050 172 E CA -0.624 55.775 56.400 -0.003 0.000 0.878 172 E CB 1.323 31.021 29.700 -0.003 0.000 1.066 172 E HN 0.273 nan 8.360 nan 0.000 0.406 173 L N 2.777 123.998 121.223 -0.003 0.000 2.401 173 L HA 0.427 4.767 4.340 -0.000 0.000 0.266 173 L C -2.261 174.606 176.870 -0.005 0.000 0.991 173 L CA -2.238 52.601 54.840 -0.003 0.000 0.818 173 L CB 1.918 43.976 42.059 -0.002 0.000 1.321 173 L HN 0.387 nan 8.230 nan 0.000 0.413 174 P HA 0.098 nan 4.420 nan 0.000 0.271 174 P C -0.477 176.817 177.300 -0.010 0.000 1.216 174 P CA -0.239 62.856 63.100 -0.008 0.000 0.776 174 P CB 0.997 32.691 31.700 -0.009 0.000 0.881 175 D N 1.176 121.570 120.400 -0.010 0.000 2.182 175 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 175 D C 1.658 177.946 176.300 -0.019 0.000 0.986 175 D CA 1.262 55.255 54.000 -0.011 0.000 0.847 175 D CB -0.201 40.595 40.800 -0.008 0.000 0.942 175 D HN 0.611 nan 8.370 nan 0.000 0.467 176 E N -0.284 119.902 120.200 -0.022 0.000 2.065 176 E HA -0.233 4.117 4.350 -0.000 0.000 0.201 176 E C 1.980 178.555 176.600 -0.041 0.000 1.016 176 E CA 0.897 57.277 56.400 -0.034 0.000 0.818 176 E CB -0.117 29.566 29.700 -0.028 0.000 0.749 176 E HN 0.158 nan 8.360 nan 0.000 0.453 177 L N 0.635 121.841 121.223 -0.028 0.000 2.027 177 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 177 L C 2.184 179.038 176.870 -0.026 0.000 1.074 177 L CA 1.466 56.290 54.840 -0.026 0.000 0.745 177 L CB -0.421 41.630 42.059 -0.013 0.000 0.898 177 L HN 0.226 nan 8.230 nan 0.000 0.433 178 L N -0.338 120.875 121.223 -0.017 0.000 2.189 178 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 178 L C 2.501 179.364 176.870 -0.012 0.000 1.097 178 L CA 1.146 55.980 54.840 -0.009 0.000 0.764 178 L CB -0.849 41.207 42.059 -0.005 0.000 0.900 178 L HN 0.454 nan 8.230 nan 0.000 0.436 179 A N -0.381 122.421 122.820 -0.031 0.000 2.067 179 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 179 A C 2.010 179.551 177.584 -0.072 0.000 1.156 179 A CA 0.631 52.644 52.037 -0.041 0.000 0.683 179 A CB -0.303 18.663 19.000 -0.057 0.000 0.808 179 A HN 0.404 nan 8.150 nan 0.000 0.455 180 L N 0.151 121.319 121.223 -0.091 0.000 2.599 180 L HA 0.072 4.412 4.340 -0.000 0.000 0.230 180 L C -0.249 176.629 176.870 0.013 0.000 1.141 180 L CA -0.187 54.593 54.840 -0.100 0.000 0.877 180 L CB -0.136 41.859 42.059 -0.106 0.000 1.009 180 L HN 0.069 nan 8.230 nan 0.000 0.447 181 V N -0.104 119.821 119.914 0.018 0.000 2.472 181 V HA 0.144 4.264 4.120 -0.000 0.000 0.290 181 V C 0.408 176.533 176.094 0.052 0.000 1.037 181 V CA -0.424 61.897 62.300 0.036 0.000 0.908 181 V CB 1.906 33.745 31.823 0.025 0.000 0.985 181 V HN 0.135 nan 8.190 nan 0.000 0.454 182 D N 2.854 123.286 120.400 0.053 0.000 2.394 182 D HA 0.245 4.885 4.640 -0.000 0.000 0.226 182 D C 0.281 176.611 176.300 0.050 0.000 0.990 182 D CA 0.963 54.996 54.000 0.054 0.000 0.902 182 D CB 1.110 41.938 40.800 0.047 0.000 1.038 182 D HN 0.397 nan 8.370 nan 0.000 0.499 183 I N 1.358 121.952 120.570 0.041 0.000 2.478 183 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 183 I C -0.857 175.283 176.117 0.039 0.000 1.042 183 I CA -0.705 60.618 61.300 0.039 0.000 1.067 183 I CB 2.927 40.942 38.000 0.025 0.000 1.233 183 I HN -0.210 nan 8.210 nan 0.000 0.431 184 I N 4.821 125.417 120.570 0.043 0.000 2.689 184 I HA 0.421 4.591 4.170 -0.000 0.000 0.299 184 I C 0.051 176.203 176.117 0.059 0.000 1.059 184 I CA -0.219 61.106 61.300 0.042 0.000 1.055 184 I CB 2.592 40.608 38.000 0.027 0.000 1.243 184 I HN 0.735 nan 8.210 nan 0.000 0.425 185 T N 2.749 117.345 114.554 0.069 0.000 3.516 185 T HA 0.424 4.774 4.350 -0.000 0.000 0.245 185 T C -2.607 172.135 174.700 0.070 0.000 1.077 185 T CA -1.548 60.612 62.100 0.101 0.000 1.222 185 T CB -0.131 68.838 68.868 0.168 0.000 1.045 185 T HN 0.223 nan 8.240 nan 0.000 0.585 186 P HA 0.050 nan 4.420 nan 0.000 0.264 186 P C 0.078 177.387 177.300 0.016 0.000 1.179 186 P CA 0.146 63.262 63.100 0.026 0.000 0.763 186 P CB 0.602 32.312 31.700 0.017 0.000 0.806 187 N N 1.543 120.245 118.700 0.004 0.000 2.418 187 N HA 0.037 4.777 4.740 -0.000 0.000 0.283 187 N C 0.928 176.435 175.510 -0.005 0.000 1.267 187 N CA -0.180 52.865 53.050 -0.008 0.000 0.975 187 N CB -0.155 38.324 38.487 -0.012 0.000 1.167 187 N HN 0.255 nan 8.380 nan 0.000 0.581 188 E N -1.033 119.161 120.200 -0.010 0.000 2.085 188 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 188 E C 1.463 178.056 176.600 -0.012 0.000 0.994 188 E CA 2.259 58.651 56.400 -0.013 0.000 0.801 188 E CB -0.398 29.292 29.700 -0.017 0.000 0.743 188 E HN 0.694 nan 8.360 nan 0.000 0.453 189 T N 0.820 115.370 114.554 -0.008 0.000 2.674 189 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 189 T C 1.602 176.299 174.700 -0.006 0.000 1.039 189 T CA 1.635 63.731 62.100 -0.007 0.000 1.150 189 T CB -0.327 68.538 68.868 -0.004 0.000 0.864 189 T HN 0.216 nan 8.240 nan 0.000 0.427 190 E N 1.398 121.596 120.200 -0.003 0.000 2.110 190 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 190 E C 2.462 179.060 176.600 -0.004 0.000 0.988 190 E CA 0.932 57.331 56.400 -0.001 0.000 0.804 190 E CB -0.298 29.405 29.700 0.005 0.000 0.745 190 E HN 0.485 nan 8.360 nan 0.000 0.458 191 A N 1.197 124.014 122.820 -0.006 0.000 1.972 191 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 191 A C 2.095 179.670 177.584 -0.015 0.000 1.169 191 A CA 1.716 53.747 52.037 -0.010 0.000 0.635 191 A CB -0.356 18.637 19.000 -0.012 0.000 0.810 191 A HN 0.306 nan 8.150 nan 0.000 0.446 192 E N -0.627 119.564 120.200 -0.015 0.000 2.060 192 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 192 E C 1.930 178.522 176.600 -0.012 0.000 0.974 192 E CA 0.987 57.378 56.400 -0.016 0.000 0.808 192 E CB -0.082 29.609 29.700 -0.016 0.000 0.768 192 E HN 0.378 nan 8.360 nan 0.000 0.453 193 K N 0.389 120.783 120.400 -0.009 0.000 2.211 193 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 193 K C 1.931 178.527 176.600 -0.007 0.000 1.047 193 K CA 0.924 57.207 56.287 -0.007 0.000 0.935 193 K CB 0.003 32.500 32.500 -0.005 0.000 0.728 193 K HN 0.193 nan 8.250 nan 0.000 0.452 194 L N -0.937 120.281 121.223 -0.008 0.000 2.249 194 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 194 L C 1.739 178.603 176.870 -0.010 0.000 1.090 194 L CA 1.417 56.253 54.840 -0.008 0.000 0.802 194 L CB -0.069 41.985 42.059 -0.008 0.000 0.947 194 L HN 0.330 nan 8.230 nan 0.000 0.453 195 T N -5.714 108.833 114.554 -0.012 0.000 3.004 195 T HA 0.274 4.624 4.350 -0.000 0.000 0.266 195 T C 1.423 176.116 174.700 -0.013 0.000 0.986 195 T CA 0.479 62.571 62.100 -0.013 0.000 0.902 195 T CB 1.039 69.895 68.868 -0.019 0.000 1.118 195 T HN 0.325 nan 8.240 nan 0.000 0.522 196 G N 1.943 110.736 108.800 -0.013 0.000 2.220 196 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.269 196 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.269 196 G C 0.081 174.971 174.900 -0.017 0.000 0.977 196 G CA 0.374 45.466 45.100 -0.013 0.000 0.634 196 G HN 0.679 nan 8.290 nan 0.000 0.539 197 I N 1.199 121.757 120.570 -0.021 0.000 2.325 197 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 197 I C 1.032 177.129 176.117 -0.033 0.000 1.019 197 I CA -0.671 60.612 61.300 -0.028 0.000 1.302 197 I CB 1.152 39.132 38.000 -0.034 0.000 1.401 197 I HN 0.048 nan 8.210 nan 0.000 0.485 198 R N 5.831 126.311 120.500 -0.034 0.000 2.248 198 R HA 0.339 4.679 4.340 -0.000 0.000 0.328 198 R C -1.054 175.217 176.300 -0.048 0.000 1.067 198 R CA -0.393 55.686 56.100 -0.035 0.000 0.924 198 R CB 0.808 31.091 30.300 -0.029 0.000 1.013 198 R HN 0.424 nan 8.270 nan 0.000 0.454 199 V N 6.253 126.137 119.914 -0.050 0.000 2.353 199 V HA 0.107 4.227 4.120 -0.000 0.000 0.264 199 V C 0.512 176.568 176.094 -0.063 0.000 1.049 199 V CA 0.051 62.309 62.300 -0.069 0.000 0.896 199 V CB 1.133 32.914 31.823 -0.070 0.000 1.025 199 V HN 0.906 nan 8.190 nan 0.000 0.475 200 E N 3.498 123.655 120.200 -0.072 0.000 2.485 200 E HA 0.174 4.524 4.350 -0.000 0.000 0.213 200 E C 0.035 176.591 176.600 -0.073 0.000 0.923 200 E CA 0.059 56.423 56.400 -0.059 0.000 1.054 200 E CB 0.692 30.362 29.700 -0.049 0.000 1.077 200 E HN 0.889 nan 8.360 nan 0.000 0.509 201 N N -0.636 117.999 118.700 -0.109 0.000 3.277 201 N HA 0.060 4.800 4.740 -0.000 0.000 0.278 201 N C -0.399 174.967 175.510 -0.241 0.000 1.544 201 N CA -0.567 52.403 53.050 -0.133 0.000 0.869 201 N CB 0.372 38.796 38.487 -0.105 0.000 1.584 201 N HN -0.381 nan 8.380 nan 0.000 0.564 202 D N 0.033 120.267 120.400 -0.276 0.000 2.126 202 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 202 D C 1.237 177.128 176.300 -0.682 0.000 1.001 202 D CA 1.934 55.599 54.000 -0.558 0.000 0.841 202 D CB -0.116 40.464 40.800 -0.366 0.000 0.949 202 D HN 0.793 nan 8.370 nan 0.000 0.446 203 E N 0.108 120.085 120.200 -0.371 0.000 2.118 203 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 203 E C 1.357 177.797 176.600 -0.266 0.000 0.992 203 E CA 1.228 57.463 56.400 -0.275 0.000 0.804 203 E CB 0.152 29.762 29.700 -0.150 0.000 0.741 203 E HN 0.210 nan 8.360 nan 0.000 0.458 204 D N -0.128 120.124 120.400 -0.248 0.000 2.149 204 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 204 D C 1.813 177.975 176.300 -0.231 0.000 0.972 204 D CA 1.079 54.969 54.000 -0.184 0.000 0.835 204 D CB -0.092 40.624 40.800 -0.139 0.000 0.966 204 D HN 0.295 nan 8.370 nan 0.000 0.476 205 A N 1.577 124.168 122.820 -0.382 0.000 1.845 205 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 205 A C 2.392 179.750 177.584 -0.376 0.000 1.195 205 A CA 2.323 54.105 52.037 -0.425 0.000 0.616 205 A CB -0.865 17.711 19.000 -0.706 0.000 0.832 205 A HN 0.225 nan 8.150 nan 0.000 0.443 206 A N -0.350 122.134 122.820 -0.562 0.000 1.917 206 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 206 A C 2.122 179.702 177.584 -0.005 0.000 1.182 206 A CA 2.077 54.067 52.037 -0.079 0.000 0.633 206 A CB -0.545 18.451 19.000 -0.005 0.000 0.819 206 A HN 0.557 nan 8.150 nan 0.000 0.448 207 K N -0.652 119.701 120.400 -0.078 0.000 2.063 207 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 207 K C 2.315 178.899 176.600 -0.028 0.000 1.048 207 K CA 1.264 57.529 56.287 -0.037 0.000 0.928 207 K CB -0.315 32.151 32.500 -0.058 0.000 0.713 207 K HN 0.491 nan 8.250 nan 0.000 0.442 208 A N 1.236 124.022 122.820 -0.056 0.000 1.872 208 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 208 A C 2.351 179.908 177.584 -0.045 0.000 1.187 208 A CA 1.628 53.638 52.037 -0.045 0.000 0.614 208 A CB -0.685 18.284 19.000 -0.052 0.000 0.826 208 A HN 0.330 nan 8.150 nan 0.000 0.442 209 A N -0.608 122.195 122.820 -0.028 0.000 1.873 209 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 209 A C 2.173 179.616 177.584 -0.236 0.000 1.193 209 A CA 2.357 54.318 52.037 -0.126 0.000 0.629 209 A CB -0.707 18.339 19.000 0.076 0.000 0.826 209 A HN 0.560 nan 8.150 nan 0.000 0.447 210 Q N -0.294 119.535 119.800 0.048 0.000 2.181 210 Q HA -0.108 4.232 4.340 -0.000 0.000 0.205 210 Q C 1.789 177.849 176.000 0.100 0.000 0.980 210 Q CA 1.948 57.869 55.803 0.197 0.000 0.862 210 Q CB -0.532 28.311 28.738 0.176 0.000 0.905 210 Q HN 0.372 nan 8.270 nan 0.000 0.429 211 V N 0.098 120.027 119.914 0.025 0.000 2.343 211 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 211 V C 2.177 178.276 176.094 0.008 0.000 1.051 211 V CA 1.747 64.057 62.300 0.017 0.000 1.036 211 V CB -0.474 31.348 31.823 -0.003 0.000 0.654 211 V HN 0.387 nan 8.190 nan 0.000 0.451 212 L N -1.274 119.920 121.223 -0.048 0.000 2.109 212 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 212 L C 2.629 179.500 176.870 0.002 0.000 1.086 212 L CA 1.061 55.870 54.840 -0.051 0.000 0.760 212 L CB -0.821 41.177 42.059 -0.101 0.000 0.910 212 L HN 0.364 nan 8.230 nan 0.000 0.437 213 H N 0.000 119.094 119.070 0.039 0.000 2.426 213 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 213 H C 2.119 177.464 175.328 0.027 0.000 1.107 213 H CA 1.492 57.562 56.048 0.036 0.000 1.298 213 H CB -0.021 29.767 29.762 0.043 0.000 1.377 213 H HN 0.388 nan 8.280 nan 0.000 0.519 214 E N 0.265 120.551 120.200 0.143 0.000 2.152 214 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 214 E C 1.990 178.624 176.600 0.057 0.000 0.983 214 E CA 0.457 56.908 56.400 0.085 0.000 0.818 214 E CB 0.280 30.017 29.700 0.061 0.000 0.758 214 E HN 0.194 nan 8.360 nan 0.000 0.467 215 K N -1.297 119.132 120.400 0.049 0.000 2.366 215 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 215 K C 1.167 177.785 176.600 0.029 0.000 1.044 215 K CA 1.016 57.320 56.287 0.028 0.000 0.973 215 K CB 0.961 33.470 32.500 0.016 0.000 0.767 215 K HN 0.281 nan 8.250 nan 0.000 0.475 216 G N 0.768 109.598 108.800 0.050 0.000 2.738 216 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.195 216 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.195 216 G C 0.034 174.976 174.900 0.071 0.000 1.001 216 G CA -0.613 44.516 45.100 0.048 0.000 0.759 216 G HN 0.132 nan 8.290 nan 0.000 0.494 217 I N 1.858 122.482 120.570 0.091 0.000 2.312 217 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 217 I C 1.542 177.784 176.117 0.208 0.000 1.031 217 I CA -0.602 60.764 61.300 0.109 0.000 1.293 217 I CB 1.478 39.517 38.000 0.066 0.000 1.403 217 I HN 0.089 nan 8.210 nan 0.000 0.484 218 R N 3.180 123.771 120.500 0.152 0.000 2.093 218 R HA 0.037 4.377 4.340 -0.000 0.000 0.224 218 R C 0.091 176.505 176.300 0.189 0.000 1.101 218 R CA 0.972 57.156 56.100 0.139 0.000 0.979 218 R CB 0.348 30.684 30.300 0.060 0.000 0.877 218 R HN 0.592 nan 8.270 nan 0.000 0.441 219 T N 0.736 115.381 114.554 0.151 0.000 2.792 219 T HA 0.433 4.783 4.350 -0.000 0.000 0.280 219 T C -1.206 173.560 174.700 0.110 0.000 0.990 219 T CA -0.469 61.711 62.100 0.133 0.000 0.960 219 T CB 2.306 71.214 68.868 0.066 0.000 0.939 219 T HN -0.199 nan 8.240 nan 0.000 0.439 220 V N 5.194 125.174 119.914 0.111 0.000 2.525 220 V HA 0.504 4.624 4.120 -0.000 0.000 0.299 220 V C -0.842 175.295 176.094 0.071 0.000 1.034 220 V CA -0.803 61.521 62.300 0.040 0.000 0.863 220 V CB 1.648 33.416 31.823 -0.093 0.000 0.999 220 V HN 0.729 nan 8.190 nan 0.000 0.423 221 L N 6.329 127.604 121.223 0.086 0.000 2.343 221 L HA 0.637 4.977 4.340 -0.000 0.000 0.278 221 L C -0.665 176.272 176.870 0.112 0.000 0.996 221 L CA -0.349 54.559 54.840 0.114 0.000 0.831 221 L CB 1.847 44.003 42.059 0.161 0.000 1.232 221 L HN 0.450 nan 8.230 nan 0.000 0.413 222 I N 2.603 123.259 120.570 0.143 0.000 2.330 222 I HA 0.224 4.394 4.170 -0.000 0.000 0.289 222 I C 0.625 176.785 176.117 0.073 0.000 1.001 222 I CA -0.473 60.889 61.300 0.104 0.000 1.193 222 I CB 1.839 39.908 38.000 0.115 0.000 1.345 222 I HN 0.617 nan 8.210 nan 0.000 0.461 223 T N 4.420 118.967 114.554 -0.010 0.000 2.916 223 T HA 0.347 4.697 4.350 -0.000 0.000 0.303 223 T C 0.475 175.159 174.700 -0.026 0.000 1.025 223 T CA -0.352 61.700 62.100 -0.079 0.000 1.142 223 T CB 0.948 69.707 68.868 -0.181 0.000 0.947 223 T HN 0.502 nan 8.240 nan 0.000 0.544 224 L N 2.087 123.298 121.223 -0.020 0.000 2.959 224 L HA 0.416 4.756 4.340 -0.000 0.000 0.259 224 L C 1.878 178.732 176.870 -0.025 0.000 1.185 224 L CA -0.305 54.530 54.840 -0.008 0.000 0.998 224 L CB -0.745 41.328 42.059 0.023 0.000 1.337 224 L HN 1.141 nan 8.230 nan 0.000 0.555 225 G N 1.723 110.496 108.800 -0.044 0.000 2.665 225 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.326 225 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.326 225 G C 1.276 176.147 174.900 -0.049 0.000 1.231 225 G CA 1.373 46.447 45.100 -0.043 0.000 0.992 225 G HN 0.452 nan 8.290 nan 0.000 0.549 226 S N 0.464 116.143 115.700 -0.034 0.000 2.372 226 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 226 S C 1.973 176.544 174.600 -0.049 0.000 1.044 226 S CA 2.057 60.235 58.200 -0.036 0.000 1.050 226 S CB -0.363 62.825 63.200 -0.020 0.000 0.901 226 S HN 0.715 nan 8.310 nan 0.000 0.447 227 R N 2.277 122.759 120.500 -0.031 0.000 2.343 227 R HA 0.214 4.554 4.340 -0.000 0.000 0.202 227 R C 1.656 177.943 176.300 -0.021 0.000 1.023 227 R CA 0.439 56.530 56.100 -0.016 0.000 1.084 227 R CB -0.938 29.370 30.300 0.014 0.000 0.956 227 R HN 0.678 nan 8.270 nan 0.000 0.478 228 G N 0.467 109.218 108.800 -0.083 0.000 2.523 228 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.271 228 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.271 228 G C -0.438 174.500 174.900 0.064 0.000 1.146 228 G CA -0.110 44.936 45.100 -0.089 0.000 0.961 228 G HN 0.290 nan 8.290 nan 0.000 0.549 229 V N 0.606 120.616 119.914 0.160 0.000 3.114 229 V HA 0.725 4.845 4.120 -0.000 0.000 0.308 229 V C -1.359 174.865 176.094 0.216 0.000 1.168 229 V CA -0.400 61.981 62.300 0.135 0.000 1.015 229 V CB 2.084 33.938 31.823 0.052 0.000 1.050 229 V HN 1.265 nan 8.190 nan 0.000 0.433 230 W N 5.833 127.146 121.300 0.022 0.000 2.283 230 W HA 0.716 5.376 4.660 -0.000 0.000 0.317 230 W C -0.298 176.249 176.519 0.046 0.000 1.042 230 W CA -0.498 56.865 57.345 0.030 0.000 1.348 230 W CB 1.253 30.723 29.460 0.015 0.000 1.216 230 W HN 0.873 nan 8.180 nan 0.000 0.404 231 A N 4.580 127.157 122.820 -0.406 0.000 2.279 231 A HA 0.426 4.746 4.320 -0.000 0.000 0.306 231 A C -0.498 176.855 177.584 -0.387 0.000 1.300 231 A CA -0.127 51.746 52.037 -0.273 0.000 0.925 231 A CB 0.819 19.707 19.000 -0.186 0.000 1.152 231 A HN 0.417 nan 8.150 nan 0.000 0.544 232 S N 2.060 117.685 115.700 -0.126 0.000 2.647 232 S HA 0.520 4.990 4.470 -0.000 0.000 0.300 232 S C -1.020 173.690 174.600 0.183 0.000 1.129 232 S CA -0.412 57.803 58.200 0.025 0.000 1.029 232 S CB 1.174 64.525 63.200 0.252 0.000 1.007 232 S HN 1.677 nan 8.310 nan 0.000 0.484 233 V N 5.524 125.487 119.914 0.082 0.000 2.378 233 V HA 0.590 4.710 4.120 -0.000 0.000 0.288 233 V C 0.238 176.254 176.094 -0.129 0.000 1.016 233 V CA -0.179 62.152 62.300 0.052 0.000 0.840 233 V CB 0.887 32.716 31.823 0.009 0.000 0.994 233 V HN 1.047 nan 8.190 nan 0.000 0.431 234 N N 4.356 122.810 118.700 -0.410 0.000 2.955 234 N HA -0.172 4.568 4.740 -0.000 0.000 0.230 234 N C 1.069 176.236 175.510 -0.571 0.000 0.891 234 N CA 2.480 55.212 53.050 -0.529 0.000 1.002 234 N CB -1.397 36.967 38.487 -0.205 0.000 1.063 234 N HN 2.021 nan 8.380 nan 0.000 0.601 235 G N -1.253 107.269 108.800 -0.463 0.000 2.227 235 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.168 235 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.168 235 G C -0.631 174.295 174.900 0.044 0.000 1.006 235 G CA 0.079 45.135 45.100 -0.074 0.000 0.684 235 G HN 0.287 nan 8.290 nan 0.000 0.489 236 E N 1.459 121.655 120.200 -0.007 0.000 1.963 236 E HA 0.508 4.858 4.350 -0.000 0.000 0.274 236 E C 0.601 177.173 176.600 -0.047 0.000 1.061 236 E CA 0.266 56.662 56.400 -0.006 0.000 0.847 236 E CB 1.071 30.748 29.700 -0.037 0.000 1.083 236 E HN 0.453 nan 8.360 nan 0.000 0.402 237 G N 1.964 110.750 108.800 -0.024 0.000 2.441 237 G HA2 0.492 4.452 3.960 -0.000 0.000 0.334 237 G HA3 0.492 4.452 3.960 -0.000 0.000 0.334 237 G C -0.619 173.882 174.900 -0.665 0.000 1.161 237 G CA -0.339 44.544 45.100 -0.361 0.000 0.935 237 G HN 0.372 nan 8.290 nan 0.000 0.488 238 Q N -0.519 118.493 119.800 -1.313 0.000 2.545 238 Q HA 0.350 4.690 4.340 -0.000 0.000 0.273 238 Q C -0.887 174.591 176.000 -0.869 0.000 0.975 238 Q CA -0.832 54.427 55.803 -0.907 0.000 0.876 238 Q CB 1.909 30.434 28.738 -0.355 0.000 1.472 238 Q HN 0.665 nan 8.270 nan 0.000 0.389 239 R N 1.907 122.243 120.500 -0.274 0.000 2.389 239 R HA 0.476 4.816 4.340 -0.000 0.000 0.295 239 R C -1.257 175.044 176.300 0.003 0.000 1.075 239 R CA -0.146 55.994 56.100 0.066 0.000 1.005 239 R CB 0.787 31.265 30.300 0.296 0.000 0.987 239 R HN 0.408 nan 8.270 nan 0.000 0.452 240 V N 7.889 127.830 119.914 0.046 0.000 2.313 240 V HA 0.314 4.434 4.120 -0.000 0.000 0.278 240 V C -1.931 174.225 176.094 0.103 0.000 1.017 240 V CA -1.913 60.432 62.300 0.075 0.000 0.823 240 V CB 1.094 32.982 31.823 0.109 0.000 1.010 240 V HN 0.864 nan 8.190 nan 0.000 0.443 241 P HA 0.161 nan 4.420 nan 0.000 0.268 241 P C 0.449 177.530 177.300 -0.365 0.000 1.205 241 P CA 0.408 63.428 63.100 -0.132 0.000 0.771 241 P CB 1.276 32.902 31.700 -0.123 0.000 0.858 242 G N 1.795 110.229 108.800 -0.609 0.000 2.494 242 G HA2 0.393 4.353 3.960 -0.000 0.000 0.270 242 G HA3 0.393 4.353 3.960 -0.000 0.000 0.270 242 G C -0.990 173.574 174.900 -0.560 0.000 1.423 242 G CA -0.497 44.050 45.100 -0.922 0.000 1.055 242 G HN 0.347 nan 8.290 nan 0.000 0.536 243 F N -0.131 119.754 119.950 -0.107 0.000 2.443 243 F HA 0.423 4.950 4.527 -0.000 0.000 0.335 243 F C 1.017 176.837 175.800 0.033 0.000 1.104 243 F CA -0.825 57.203 58.000 0.046 0.000 1.013 243 F CB 1.691 40.821 39.000 0.217 0.000 1.136 243 F HN 0.379 nan 8.300 nan 0.000 0.470 244 R N 1.645 122.293 120.500 0.247 0.000 2.401 244 R HA 0.606 4.946 4.340 -0.000 0.000 0.299 244 R C -1.333 175.069 176.300 0.170 0.000 1.064 244 R CA -0.421 55.767 56.100 0.147 0.000 1.000 244 R CB 0.936 31.303 30.300 0.111 0.000 0.973 244 R HN 0.538 nan 8.270 nan 0.000 0.438 245 V N 3.560 123.544 119.914 0.117 0.000 2.863 245 V HA 0.001 4.121 4.120 -0.000 0.000 0.259 245 V C -1.242 174.890 176.094 0.063 0.000 1.683 245 V CA -0.752 61.612 62.300 0.106 0.000 0.892 245 V CB 2.090 34.001 31.823 0.147 0.000 1.222 245 V HN 1.006 nan 8.190 nan 0.000 0.469 246 Q N 5.702 125.530 119.800 0.047 0.000 2.293 246 Q HA 0.733 5.073 4.340 -0.000 0.000 0.263 246 Q C 0.147 176.160 176.000 0.023 0.000 1.002 246 Q CA 0.190 56.010 55.803 0.029 0.000 0.910 246 Q CB 1.702 30.453 28.738 0.022 0.000 1.185 246 Q HN 1.088 nan 8.270 nan 0.000 0.401 247 A N 2.763 125.594 122.820 0.017 0.000 2.271 247 A HA 0.460 4.780 4.320 -0.000 0.000 0.288 247 A C 0.807 178.394 177.584 0.005 0.000 1.094 247 A CA -0.222 51.821 52.037 0.011 0.000 0.828 247 A CB 1.107 20.114 19.000 0.012 0.000 1.091 247 A HN 0.972 nan 8.150 nan 0.000 0.493 248 V N -2.535 117.380 119.914 0.001 0.000 3.219 248 V HA 0.341 4.461 4.120 -0.000 0.000 0.240 248 V C 0.026 176.120 176.094 -0.001 0.000 1.222 248 V CA 1.127 63.423 62.300 -0.005 0.000 1.181 248 V CB 0.228 32.042 31.823 -0.015 0.000 0.941 248 V HN 0.740 nan 8.190 nan 0.000 0.471 249 D N 0.722 121.125 120.400 0.005 0.000 2.763 249 D HA 0.362 5.002 4.640 -0.000 0.000 0.235 249 D C 0.644 176.955 176.300 0.018 0.000 1.334 249 D CA 0.588 54.596 54.000 0.015 0.000 0.950 249 D CB 2.024 42.830 40.800 0.010 0.000 1.433 249 D HN 0.342 nan 8.370 nan 0.000 0.580 250 T N 0.677 115.247 114.554 0.028 0.000 3.065 250 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 250 T C 1.440 176.157 174.700 0.028 0.000 1.099 250 T CA -0.080 62.036 62.100 0.026 0.000 1.063 250 T CB -0.291 68.594 68.868 0.030 0.000 0.948 250 T HN 0.387 nan 8.240 nan 0.000 0.506 251 I N 1.829 122.420 120.570 0.034 0.000 2.815 251 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 251 I C 1.507 177.637 176.117 0.023 0.000 1.209 251 I CA 0.508 61.828 61.300 0.034 0.000 1.431 251 I CB -0.023 38.002 38.000 0.040 0.000 1.351 251 I HN 0.350 nan 8.210 nan 0.000 0.585 252 A N 3.619 126.452 122.820 0.023 0.000 2.979 252 A HA -0.269 4.051 4.320 -0.000 0.000 0.260 252 A C 1.771 179.366 177.584 0.019 0.000 1.282 252 A CA 1.123 53.169 52.037 0.016 0.000 0.971 252 A CB -2.042 16.961 19.000 0.005 0.000 1.124 252 A HN 1.131 nan 8.150 nan 0.000 0.826 253 A N -0.694 122.142 122.820 0.026 0.000 1.898 253 A HA 0.267 4.587 4.320 -0.000 0.000 0.216 253 A C 2.602 180.228 177.584 0.070 0.000 1.181 253 A CA 2.053 54.112 52.037 0.036 0.000 0.620 253 A CB -1.184 17.832 19.000 0.027 0.000 0.819 253 A HN 1.871 nan 8.150 nan 0.000 0.442 254 G N -0.046 108.790 108.800 0.060 0.000 2.414 254 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 254 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 254 G C 1.121 176.094 174.900 0.122 0.000 1.188 254 G CA 1.131 46.287 45.100 0.094 0.000 0.783 254 G HN 0.442 nan 8.290 nan 0.000 0.537 255 D N 0.482 120.920 120.400 0.063 0.000 2.149 255 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 255 D C 2.658 178.974 176.300 0.025 0.000 1.001 255 D CA 1.713 55.733 54.000 0.033 0.000 0.849 255 D CB -0.700 40.101 40.800 0.003 0.000 0.939 255 D HN 0.250 nan 8.370 nan 0.000 0.449 256 T N 0.546 115.118 114.554 0.030 0.000 2.708 256 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 256 T C 1.719 176.446 174.700 0.045 0.000 1.037 256 T CA 0.736 62.839 62.100 0.003 0.000 1.146 256 T CB -0.519 68.342 68.868 -0.011 0.000 0.865 256 T HN 0.131 nan 8.240 nan 0.000 0.435 257 F N 2.690 122.620 119.950 -0.033 0.000 2.095 257 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 257 F C 2.194 177.982 175.800 -0.021 0.000 1.104 257 F CA 1.260 59.245 58.000 -0.025 0.000 1.232 257 F CB -0.407 38.588 39.000 -0.007 0.000 0.987 257 F HN 0.089 nan 8.300 nan 0.000 0.475 258 N N 0.321 119.062 118.700 0.068 0.000 2.188 258 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 258 N C 2.091 177.541 175.510 -0.100 0.000 1.018 258 N CA 1.249 54.278 53.050 -0.034 0.000 0.858 258 N CB -0.778 37.742 38.487 0.055 0.000 0.989 258 N HN 0.479 nan 8.380 nan 0.000 0.426 259 G N 0.754 109.507 108.800 -0.077 0.000 2.421 259 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 259 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 259 G C 1.573 176.428 174.900 -0.075 0.000 1.171 259 G CA 1.018 46.065 45.100 -0.088 0.000 0.775 259 G HN 0.405 nan 8.290 nan 0.000 0.543 260 A N -0.060 122.718 122.820 -0.070 0.000 2.016 260 A HA 0.281 4.601 4.320 -0.000 0.000 0.217 260 A C 2.269 179.884 177.584 0.052 0.000 1.162 260 A CA 1.274 53.349 52.037 0.062 0.000 0.662 260 A CB -0.256 18.757 19.000 0.022 0.000 0.812 260 A HN 0.388 nan 8.150 nan 0.000 0.450 261 L N 0.209 121.316 121.223 -0.192 0.000 1.994 261 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 261 L C 2.030 178.799 176.870 -0.168 0.000 1.071 261 L CA 1.849 56.520 54.840 -0.281 0.000 0.745 261 L CB -0.362 41.367 42.059 -0.549 0.000 0.892 261 L HN 0.333 nan 8.230 nan 0.000 0.431 262 I N -0.753 119.736 120.570 -0.136 0.000 2.361 262 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 262 I C 2.364 178.422 176.117 -0.098 0.000 1.133 262 I CA 1.419 62.660 61.300 -0.100 0.000 1.413 262 I CB -2.137 35.818 38.000 -0.075 0.000 1.073 262 I HN 0.310 nan 8.210 nan 0.000 0.424 263 T N 1.521 116.021 114.554 -0.091 0.000 2.674 263 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 263 T C 2.115 176.698 174.700 -0.195 0.000 1.039 263 T CA 1.791 63.828 62.100 -0.105 0.000 1.150 263 T CB -0.261 68.577 68.868 -0.050 0.000 0.864 263 T HN 0.462 nan 8.240 nan 0.000 0.427 264 A N 1.217 123.866 122.820 -0.285 0.000 1.902 264 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 264 A C 2.317 179.757 177.584 -0.240 0.000 1.181 264 A CA 1.217 52.998 52.037 -0.428 0.000 0.623 264 A CB -0.902 17.781 19.000 -0.528 0.000 0.818 264 A HN 0.485 nan 8.150 nan 0.000 0.443 265 L N -0.742 120.381 121.223 -0.167 0.000 2.079 265 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 265 L C 2.384 179.194 176.870 -0.100 0.000 1.081 265 L CA 0.989 55.759 54.840 -0.116 0.000 0.752 265 L CB -0.529 41.475 42.059 -0.092 0.000 0.896 265 L HN 0.373 nan 8.230 nan 0.000 0.433 266 L N -0.590 120.572 121.223 -0.102 0.000 2.376 266 L HA -0.133 4.207 4.340 -0.000 0.000 0.219 266 L C 1.861 178.680 176.870 -0.085 0.000 1.133 266 L CA 0.795 55.587 54.840 -0.080 0.000 0.816 266 L CB -0.249 41.770 42.059 -0.067 0.000 0.933 266 L HN 0.286 nan 8.230 nan 0.000 0.449 267 E N 0.023 120.153 120.200 -0.116 0.000 2.476 267 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 267 E C -0.168 176.375 176.600 -0.095 0.000 1.064 267 E CA -0.076 56.258 56.400 -0.111 0.000 0.866 267 E CB 0.278 29.886 29.700 -0.153 0.000 0.952 267 E HN 0.313 nan 8.360 nan 0.000 0.492 268 E N 0.243 120.390 120.200 -0.088 0.000 3.057 268 E HA -0.172 4.177 4.350 -0.000 0.000 0.296 268 E C -0.649 175.908 176.600 -0.071 0.000 0.943 268 E CA 0.339 56.698 56.400 -0.068 0.000 0.965 268 E CB -1.165 28.503 29.700 -0.052 0.000 1.485 268 E HN 0.186 nan 8.360 nan 0.000 0.417 269 K N 1.484 121.827 120.400 -0.095 0.000 2.249 269 K HA 0.269 4.589 4.320 -0.000 0.000 0.280 269 K C -2.197 174.365 176.600 -0.064 0.000 1.033 269 K CA -1.598 54.638 56.287 -0.085 0.000 0.946 269 K CB 0.682 33.108 32.500 -0.124 0.000 1.005 269 K HN -0.094 nan 8.250 nan 0.000 0.469 270 P HA -0.058 nan 4.420 nan 0.000 0.271 270 P C 0.621 177.901 177.300 -0.034 0.000 1.218 270 P CA -0.359 62.720 63.100 -0.035 0.000 0.780 270 P CB 0.602 32.287 31.700 -0.025 0.000 0.901 271 L N 5.299 126.501 121.223 -0.035 0.000 2.064 271 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 271 L C -0.906 175.949 176.870 -0.025 0.000 1.077 271 L CA 2.810 57.629 54.840 -0.035 0.000 0.766 271 L CB -2.251 39.789 42.059 -0.033 0.000 0.890 271 L HN 0.368 nan 8.230 nan 0.000 0.435 272 P HA -0.211 nan 4.420 nan 0.000 0.214 272 P C 1.523 178.839 177.300 0.028 0.000 1.162 272 P CA 1.655 64.755 63.100 -0.000 0.000 0.879 272 P CB -0.064 31.632 31.700 -0.007 0.000 0.786 273 E N -0.115 120.101 120.200 0.025 0.000 2.085 273 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 273 E C 2.006 178.650 176.600 0.073 0.000 0.994 273 E CA 1.302 57.735 56.400 0.056 0.000 0.801 273 E CB -0.533 29.186 29.700 0.033 0.000 0.743 273 E HN 0.063 nan 8.360 nan 0.000 0.453 274 A N 0.833 123.659 122.820 0.010 0.000 1.902 274 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 274 A C 2.135 179.722 177.584 0.006 0.000 1.181 274 A CA 1.435 53.461 52.037 -0.018 0.000 0.623 274 A CB -0.593 18.357 19.000 -0.082 0.000 0.818 274 A HN 0.335 nan 8.150 nan 0.000 0.443 275 I N -1.281 119.278 120.570 -0.019 0.000 2.315 275 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 275 I C 2.644 178.777 176.117 0.027 0.000 1.117 275 I CA 1.411 62.675 61.300 -0.061 0.000 1.404 275 I CB -0.289 37.703 38.000 -0.015 0.000 1.071 275 I HN 0.323 nan 8.210 nan 0.000 0.419 276 R N 0.759 121.349 120.500 0.150 0.000 2.083 276 R HA -0.238 4.102 4.340 -0.000 0.000 0.237 276 R C 2.401 178.925 176.300 0.374 0.000 1.137 276 R CA 1.882 58.150 56.100 0.281 0.000 0.951 276 R CB -0.424 30.025 30.300 0.248 0.000 0.851 276 R HN 0.273 nan 8.270 nan 0.000 0.434 277 F N 0.647 120.675 119.950 0.131 0.000 2.126 277 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 277 F C 1.997 177.830 175.800 0.055 0.000 1.096 277 F CA 1.726 59.784 58.000 0.097 0.000 1.255 277 F CB -0.262 38.750 39.000 0.019 0.000 0.997 277 F HN 0.114 nan 8.300 nan 0.000 0.479 278 A N -1.016 121.869 122.820 0.108 0.000 1.970 278 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 278 A C 1.984 179.639 177.584 0.118 0.000 1.170 278 A CA 1.278 53.257 52.037 -0.096 0.000 0.645 278 A CB -1.037 17.625 19.000 -0.564 0.000 0.816 278 A HN 0.524 nan 8.150 nan 0.000 0.447 279 H N 0.062 119.315 119.070 0.304 0.000 2.353 279 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 279 H C 2.524 177.992 175.328 0.233 0.000 1.090 279 H CA 1.265 57.520 56.048 0.346 0.000 1.327 279 H CB -0.525 29.421 29.762 0.306 0.000 1.383 279 H HN 0.494 nan 8.280 nan 0.000 0.508 280 A N 0.938 123.922 122.820 0.272 0.000 1.902 280 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 280 A C 2.712 179.961 177.584 -0.558 0.000 1.181 280 A CA 1.844 53.679 52.037 -0.336 0.000 0.623 280 A CB -0.892 17.956 19.000 -0.254 0.000 0.818 280 A HN 0.440 nan 8.150 nan 0.000 0.443 281 A N -0.045 122.546 122.820 -0.382 0.000 1.865 281 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 281 A C 2.519 179.978 177.584 -0.208 0.000 1.191 281 A CA 2.323 54.159 52.037 -0.335 0.000 0.623 281 A CB -1.111 17.698 19.000 -0.318 0.000 0.826 281 A HN 1.132 nan 8.150 nan 0.000 0.444 282 A N -0.452 122.328 122.820 -0.067 0.000 1.969 282 A HA 0.216 4.536 4.320 -0.000 0.000 0.218 282 A C 2.434 179.984 177.584 -0.056 0.000 1.169 282 A CA 1.888 53.928 52.037 0.004 0.000 0.635 282 A CB -0.846 18.244 19.000 0.149 0.000 0.810 282 A HN 1.038 nan 8.150 nan 0.000 0.445 283 A N 0.161 122.903 122.820 -0.130 0.000 1.898 283 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 283 A C 2.059 179.497 177.584 -0.244 0.000 1.181 283 A CA 1.434 53.363 52.037 -0.181 0.000 0.620 283 A CB -0.573 18.259 19.000 -0.281 0.000 0.819 283 A HN 0.498 nan 8.150 nan 0.000 0.442 284 I N -0.192 120.153 120.570 -0.376 0.000 2.286 284 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 284 I C 2.885 178.929 176.117 -0.120 0.000 1.115 284 I CA 1.021 62.178 61.300 -0.237 0.000 1.392 284 I CB -0.311 37.543 38.000 -0.244 0.000 1.065 284 I HN 0.351 nan 8.210 nan 0.000 0.418 285 A N 0.756 123.509 122.820 -0.112 0.000 1.969 285 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 285 A C 2.317 179.879 177.584 -0.035 0.000 1.169 285 A CA 1.652 53.651 52.037 -0.063 0.000 0.635 285 A CB -0.913 18.055 19.000 -0.054 0.000 0.810 285 A HN 0.375 nan 8.150 nan 0.000 0.445 286 V N -1.794 118.101 119.914 -0.032 0.000 3.305 286 V HA -0.076 4.044 4.120 -0.000 0.000 0.269 286 V C 1.895 177.984 176.094 -0.009 0.000 1.157 286 V CA 2.000 64.293 62.300 -0.012 0.000 1.157 286 V CB -1.736 30.087 31.823 -0.001 0.000 0.772 286 V HN 0.661 nan 8.190 nan 0.000 0.498 287 T N -2.151 112.394 114.554 -0.016 0.000 3.107 287 T HA 0.304 4.654 4.350 -0.000 0.000 0.249 287 T C 0.715 175.410 174.700 -0.008 0.000 1.096 287 T CA -0.230 61.866 62.100 -0.007 0.000 1.012 287 T CB -0.104 68.764 68.868 0.001 0.000 0.977 287 T HN 0.597 nan 8.240 nan 0.000 0.527 288 R N 0.315 120.809 120.500 -0.010 0.000 2.803 288 R HA 0.690 5.030 4.340 -0.000 0.000 0.276 288 R C -0.959 175.338 176.300 -0.006 0.000 0.978 288 R CA -1.129 54.967 56.100 -0.007 0.000 0.939 288 R CB 1.235 31.533 30.300 -0.003 0.000 1.179 288 R HN -0.082 nan 8.270 nan 0.000 0.472 289 K N 0.732 121.129 120.400 -0.005 0.000 2.118 289 K HA 0.519 4.839 4.320 -0.000 0.000 0.264 289 K C 0.058 176.662 176.600 0.007 0.000 1.000 289 K CA 0.702 56.989 56.287 -0.001 0.000 0.929 289 K CB 1.165 33.661 32.500 -0.006 0.000 1.021 289 K HN 0.745 nan 8.250 nan 0.000 0.463 290 G N 0.709 109.515 108.800 0.011 0.000 2.795 290 G HA2 0.014 3.974 3.960 -0.000 0.000 0.664 290 G HA3 0.014 3.974 3.960 -0.000 0.000 0.664 290 G C 0.191 175.093 174.900 0.004 0.000 1.381 290 G CA -0.087 45.015 45.100 0.002 0.000 0.853 290 G HN 0.736 nan 8.290 nan 0.000 0.545 291 A N -0.733 122.090 122.820 0.004 0.000 1.974 291 A HA 0.341 4.661 4.320 -0.000 0.000 0.219 291 A C 2.204 179.790 177.584 0.003 0.000 1.479 291 A CA 1.890 53.932 52.037 0.008 0.000 0.615 291 A CB -0.728 18.284 19.000 0.021 0.000 1.130 291 A HN 0.898 nan 8.150 nan 0.000 0.497 292 Q N -0.200 119.614 119.800 0.024 0.000 2.135 292 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 292 Q C -0.708 175.298 176.000 0.010 0.000 0.981 292 Q CA 2.029 57.843 55.803 0.018 0.000 0.856 292 Q CB -0.998 27.785 28.738 0.075 0.000 0.902 292 Q HN 0.503 nan 8.270 nan 0.000 0.425 293 P HA -0.149 nan 4.420 nan 0.000 0.220 293 P C 1.166 178.477 177.300 0.018 0.000 1.148 293 P CA 1.642 64.762 63.100 0.033 0.000 0.803 293 P CB -0.040 31.672 31.700 0.020 0.000 0.782 294 S N -1.633 114.064 115.700 -0.003 0.000 2.496 294 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 294 S C 0.848 175.421 174.600 -0.045 0.000 0.996 294 S CA -0.032 58.159 58.200 -0.014 0.000 0.927 294 S CB -1.167 62.024 63.200 -0.014 0.000 0.774 294 S HN -0.136 nan 8.310 nan 0.000 0.524 295 V N 5.359 125.225 119.914 -0.081 0.000 2.485 295 V HA 0.246 4.366 4.120 -0.000 0.000 0.287 295 V C -1.781 174.194 176.094 -0.198 0.000 1.022 295 V CA -1.441 60.770 62.300 -0.148 0.000 1.067 295 V CB 0.058 31.765 31.823 -0.194 0.000 0.967 295 V HN 0.434 nan 8.190 nan 0.000 0.479 296 P HA 0.213 nan 4.420 nan 0.000 0.276 296 P C -0.948 176.240 177.300 -0.187 0.000 1.244 296 P CA -0.651 62.383 63.100 -0.109 0.000 0.801 296 P CB 0.848 32.486 31.700 -0.103 0.000 1.006 297 W N 0.706 121.985 121.300 -0.035 0.000 2.436 297 W HA 0.379 5.039 4.660 -0.000 0.000 0.347 297 W C 1.983 178.499 176.519 -0.005 0.000 1.136 297 W CA -0.368 56.970 57.345 -0.013 0.000 1.286 297 W CB 0.300 29.759 29.460 -0.002 0.000 1.253 297 W HN 0.350 nan 8.180 nan 0.000 0.617 298 R N 0.980 121.655 120.500 0.292 0.000 2.096 298 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 298 R C 1.557 177.967 176.300 0.183 0.000 1.139 298 R CA 2.223 58.455 56.100 0.219 0.000 0.952 298 R CB -0.466 29.970 30.300 0.227 0.000 0.854 298 R HN 0.636 nan 8.270 nan 0.000 0.436 299 E N -0.047 120.262 120.200 0.182 0.000 2.118 299 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 299 E C 1.879 178.543 176.600 0.106 0.000 0.992 299 E CA 1.536 58.007 56.400 0.118 0.000 0.804 299 E CB -0.084 29.660 29.700 0.073 0.000 0.741 299 E HN 0.584 nan 8.360 nan 0.000 0.458 300 E N 0.816 121.091 120.200 0.125 0.000 2.028 300 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 300 E C 2.271 178.915 176.600 0.072 0.000 0.988 300 E CA 0.776 57.234 56.400 0.096 0.000 0.799 300 E CB -0.183 29.579 29.700 0.104 0.000 0.755 300 E HN 0.228 nan 8.360 nan 0.000 0.447 301 I N 2.042 122.620 120.570 0.013 0.000 2.151 301 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 301 I C 1.987 178.129 176.117 0.042 0.000 1.080 301 I CA 1.267 62.514 61.300 -0.089 0.000 1.339 301 I CB -0.327 37.494 38.000 -0.298 0.000 1.039 301 I HN 0.050 nan 8.210 nan 0.000 0.409 302 D N 0.835 121.293 120.400 0.098 0.000 2.144 302 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 302 D C 2.271 178.632 176.300 0.101 0.000 0.978 302 D CA 1.501 55.581 54.000 0.134 0.000 0.833 302 D CB -0.205 40.682 40.800 0.144 0.000 0.961 302 D HN 0.367 nan 8.370 nan 0.000 0.470 303 A N 0.834 123.707 122.820 0.088 0.000 1.865 303 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 303 A C 2.152 179.765 177.584 0.048 0.000 1.191 303 A CA 1.318 53.390 52.037 0.059 0.000 0.623 303 A CB -1.188 17.845 19.000 0.056 0.000 0.826 303 A HN 0.253 nan 8.150 nan 0.000 0.444 304 F N 0.576 120.480 119.950 -0.077 0.000 2.043 304 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 304 F C 2.032 177.739 175.800 -0.155 0.000 1.118 304 F CA 2.195 60.110 58.000 -0.142 0.000 1.202 304 F CB -0.414 38.462 39.000 -0.207 0.000 0.965 304 F HN 0.167 nan 8.300 nan 0.000 0.482 305 L N 0.001 121.278 121.223 0.091 0.000 2.043 305 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 305 L C 2.057 178.902 176.870 -0.041 0.000 1.075 305 L CA 1.844 56.709 54.840 0.042 0.000 0.752 305 L CB -0.868 41.294 42.059 0.172 0.000 0.891 305 L HN 0.166 nan 8.230 nan 0.000 0.432 306 D N -0.537 119.849 120.400 -0.023 0.000 2.144 306 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 306 D C 2.317 178.568 176.300 -0.082 0.000 0.978 306 D CA 0.888 54.871 54.000 -0.027 0.000 0.833 306 D CB -0.062 40.737 40.800 -0.002 0.000 0.961 306 D HN 0.146 nan 8.370 nan 0.000 0.470 307 R N 0.116 120.523 120.500 -0.156 0.000 2.148 307 R HA -0.023 4.317 4.340 -0.000 0.000 0.227 307 R C 0.775 176.945 176.300 -0.216 0.000 1.103 307 R CA 0.535 56.523 56.100 -0.187 0.000 0.983 307 R CB 0.082 30.238 30.300 -0.239 0.000 0.874 307 R HN 0.262 nan 8.270 nan 0.000 0.451 308 Q N 0.000 119.635 119.800 -0.275 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.682 55.803 -0.202 0.000 1.022 308 Q CB 0.000 28.633 28.738 -0.175 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481