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 1olt_1_A DATA FIRST_RESID 4 DATA SEQUENCE QQIDWDLALI XKYXXXXXXY TSYPTALEFS EDFGEQAFLQ AVARYPERPL DATA SEQUENCE SLYVHIPFCH KLCYFCGCNK IVTRQQHKAD QYLDALEQEI VHRAPLFAGR DATA SEQUENCE HVSQLHWGGG TPTYLNKAQI SRLMKLLREN FQFNADAEIS IEVDPREIEL DATA SEQUENCE DVLDHLRAEG FNRLSMGVQD FNKEVQRLVN REQDEEFIFA LLNHAREIGF DATA SEQUENCE TSTNIDLIYG LPKQTPESFA FTLKRVAELN PDRLSVFNYA HLPTIFAAQR DATA SEQUENCE KIKDADLPSP QQKLDILQET IAFLTQSGYQ FIGMDHFARP DDELAVAQRE DATA SEQUENCE GVLHRNFQGY TTQGDTDLLG MGVSAISMIG DCYAQNQKEL KQYYQQVDEQ DATA SEQUENCE GNALWRGIAL TRDDCIRRDV IKSLICNFRL DYSPIEQQWD LLFADYFAED DATA SEQUENCE LKLLAPLAKD GLVDVDEKGI QVTAKGRLLI RNICMCFDTY L 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.029 176.000 0.048 0.000 1.003 4 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 4 Q CB 0.000 28.798 28.738 0.101 0.000 1.108 5 Q N 0.160 119.987 119.800 0.044 0.000 2.339 5 Q HA 0.265 4.605 4.340 -0.001 0.000 0.205 5 Q C 0.287 176.303 176.000 0.027 0.000 0.925 5 Q CA 0.319 56.129 55.803 0.012 0.000 0.898 5 Q CB 0.326 29.043 28.738 -0.036 0.000 1.013 5 Q HN 0.661 nan 8.270 nan 0.000 0.504 6 I N -0.550 120.067 120.570 0.079 0.000 2.813 6 I HA 0.173 4.342 4.170 -0.001 0.000 0.287 6 I C -0.350 175.842 176.117 0.125 0.000 1.196 6 I CA -0.066 61.304 61.300 0.116 0.000 1.421 6 I CB 0.599 38.733 38.000 0.223 0.000 1.365 6 I HN -0.135 nan 8.210 nan 0.000 0.591 7 D N 6.825 127.298 120.400 0.121 0.000 2.446 7 D HA 0.154 4.793 4.640 -0.001 0.000 0.251 7 D C -1.224 175.179 176.300 0.172 0.000 1.137 7 D CA -0.408 53.670 54.000 0.129 0.000 0.890 7 D CB 0.472 41.317 40.800 0.074 0.000 1.071 7 D HN 0.672 nan 8.370 nan 0.000 0.528 8 W N 4.359 125.679 121.300 0.035 0.000 2.251 8 W HA 0.220 4.879 4.660 -0.001 0.000 0.327 8 W C -0.742 175.801 176.519 0.039 0.000 1.361 8 W CA 0.243 57.610 57.345 0.037 0.000 1.234 8 W CB 0.787 30.263 29.460 0.026 0.000 1.212 8 W HN 0.354 nan 8.180 nan 0.000 0.557 9 D N 6.966 127.151 120.400 -0.358 0.000 2.375 9 D HA 0.075 4.714 4.640 -0.001 0.000 0.259 9 D C 1.222 177.322 176.300 -0.332 0.000 1.235 9 D CA -0.241 53.641 54.000 -0.197 0.000 0.924 9 D CB 0.640 41.381 40.800 -0.099 0.000 1.143 9 D HN 0.396 nan 8.370 nan 0.000 0.529 10 L N 2.174 123.295 121.223 -0.169 0.000 2.064 10 L HA -0.279 4.061 4.340 -0.001 0.000 0.216 10 L C 2.563 179.400 176.870 -0.056 0.000 1.077 10 L CA 2.081 56.893 54.840 -0.047 0.000 0.766 10 L CB -0.232 41.930 42.059 0.171 0.000 0.890 10 L HN 0.416 nan 8.230 nan 0.000 0.435 11 A N -0.361 122.443 122.820 -0.026 0.000 1.873 11 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 11 A C 2.211 179.780 177.584 -0.024 0.000 1.186 11 A CA 1.351 53.379 52.037 -0.015 0.000 0.616 11 A CB -0.660 18.341 19.000 0.001 0.000 0.823 11 A HN 0.363 nan 8.150 nan 0.000 0.442 12 L N -0.340 120.872 121.223 -0.018 0.000 2.083 12 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 12 L C 1.059 177.971 176.870 0.071 0.000 1.083 12 L CA 0.436 55.315 54.840 0.065 0.000 0.752 12 L CB -0.551 41.548 42.059 0.067 0.000 0.899 12 L HN 0.336 nan 8.230 nan 0.000 0.433 24 T N 1.604 116.105 114.554 -0.089 0.000 3.010 24 T HA 0.347 4.697 4.350 -0.001 0.000 0.252 24 T C -0.411 173.934 174.700 -0.593 0.000 0.963 24 T CA 0.927 62.888 62.100 -0.231 0.000 0.952 24 T CB -0.060 68.770 68.868 -0.063 0.000 1.182 24 T HN 1.386 nan 8.240 nan 0.000 0.495 25 S N -0.519 114.862 115.700 -0.531 0.000 2.717 25 S HA 0.247 4.716 4.470 -0.001 0.000 0.274 25 S C -1.830 172.958 174.600 0.314 0.000 0.760 25 S CA -0.929 57.095 58.200 -0.293 0.000 1.143 25 S CB -0.570 62.294 63.200 -0.560 0.000 1.427 25 S HN 0.463 nan 8.310 nan 0.000 0.478 26 Y N 2.139 122.620 120.300 0.302 0.000 2.386 26 Y HA 0.676 5.225 4.550 -0.001 0.000 0.334 26 Y C -2.837 173.213 175.900 0.249 0.000 1.002 26 Y CA -1.717 56.492 58.100 0.182 0.000 1.068 26 Y CB 2.273 40.825 38.460 0.154 0.000 1.203 26 Y HN 0.674 nan 8.280 nan 0.000 0.443 27 P HA 0.095 nan 4.420 nan 0.000 0.271 27 P C -0.346 176.650 177.300 -0.505 0.000 1.244 27 P CA -0.059 62.518 63.100 -0.872 0.000 0.793 27 P CB 0.533 31.734 31.700 -0.831 0.000 0.984 28 T N -2.865 111.378 114.554 -0.519 0.000 2.788 28 T HA 0.405 4.754 4.350 -0.001 0.000 0.280 28 T C 1.391 175.669 174.700 -0.703 0.000 0.984 28 T CA -0.002 61.835 62.100 -0.438 0.000 0.972 28 T CB 0.214 68.905 68.868 -0.295 0.000 1.039 28 T HN 0.323 nan 8.240 nan 0.000 0.530 29 A N 0.363 122.631 122.820 -0.920 0.000 2.070 29 A HA 0.061 4.380 4.320 -0.001 0.000 0.220 29 A C 2.369 179.414 177.584 -0.898 0.000 1.159 29 A CA 1.191 52.294 52.037 -1.556 0.000 0.656 29 A CB -1.154 17.242 19.000 -1.006 0.000 0.800 29 A HN 0.843 nan 8.150 nan 0.000 0.453 30 L N -0.445 120.463 121.223 -0.525 0.000 2.127 30 L HA -0.174 4.166 4.340 -0.001 0.000 0.211 30 L C 1.851 178.544 176.870 -0.295 0.000 1.089 30 L CA 1.131 55.773 54.840 -0.331 0.000 0.757 30 L CB -0.480 41.442 42.059 -0.229 0.000 0.899 30 L HN 0.325 nan 8.230 nan 0.000 0.434 31 E N -0.519 119.466 120.200 -0.358 0.000 2.489 31 E HA 0.068 4.418 4.350 -0.001 0.000 0.193 31 E C 0.140 176.729 176.600 -0.018 0.000 1.057 31 E CA 0.001 56.261 56.400 -0.235 0.000 0.866 31 E CB 0.024 29.454 29.700 -0.450 0.000 0.916 31 E HN 0.142 nan 8.360 nan 0.000 0.500 32 F N 1.371 121.155 119.950 -0.277 0.000 2.484 32 F HA 0.190 4.716 4.527 -0.001 0.000 0.360 32 F C 1.159 176.801 175.800 -0.263 0.000 1.101 32 F CA -1.082 56.746 58.000 -0.286 0.000 1.251 32 F CB 0.632 39.419 39.000 -0.355 0.000 1.132 32 F HN -0.311 nan 8.300 nan 0.000 0.570 33 S N 1.863 117.540 115.700 -0.039 0.000 2.526 33 S HA 0.338 4.807 4.470 -0.001 0.000 0.293 33 S C 0.434 174.984 174.600 -0.083 0.000 1.092 33 S CA -0.653 57.511 58.200 -0.061 0.000 0.980 33 S CB 1.178 64.383 63.200 0.010 0.000 1.048 33 S HN 0.637 nan 8.310 nan 0.000 0.483 34 E N 1.757 121.889 120.200 -0.113 0.000 2.478 34 E HA -0.073 4.277 4.350 -0.001 0.000 0.198 34 E C 0.285 176.902 176.600 0.028 0.000 1.046 34 E CA 0.481 56.833 56.400 -0.080 0.000 0.870 34 E CB 0.073 29.746 29.700 -0.045 0.000 0.818 34 E HN 0.596 nan 8.360 nan 0.000 0.527 35 D N 0.272 120.699 120.400 0.044 0.000 2.269 35 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 35 D C 0.139 176.489 176.300 0.083 0.000 0.963 35 D CA 0.392 54.426 54.000 0.056 0.000 0.864 35 D CB -0.103 40.726 40.800 0.048 0.000 0.936 35 D HN 0.076 nan 8.370 nan 0.000 0.505 36 F N 1.559 121.493 119.950 -0.027 0.000 2.519 36 F HA 0.349 4.876 4.527 -0.001 0.000 0.375 36 F C 1.002 176.806 175.800 0.005 0.000 1.084 36 F CA -0.180 57.813 58.000 -0.012 0.000 1.147 36 F CB 0.361 39.338 39.000 -0.039 0.000 1.088 36 F HN -0.202 nan 8.300 nan 0.000 0.555 37 G N 4.234 112.893 108.800 -0.235 0.000 2.938 37 G HA2 0.196 4.155 3.960 -0.001 0.000 0.258 37 G HA3 0.196 4.155 3.960 -0.001 0.000 0.258 37 G C 0.125 174.930 174.900 -0.158 0.000 1.356 37 G CA -0.386 44.648 45.100 -0.110 0.000 1.052 37 G HN 0.504 nan 8.290 nan 0.000 0.550 38 E N -0.329 119.841 120.200 -0.050 0.000 2.110 38 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 38 E C 2.530 179.140 176.600 0.016 0.000 0.988 38 E CA 1.843 58.252 56.400 0.015 0.000 0.804 38 E CB -0.042 29.666 29.700 0.013 0.000 0.745 38 E HN 0.470 nan 8.360 nan 0.000 0.458 39 Q N 0.195 119.954 119.800 -0.068 0.000 2.167 39 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 39 Q C 1.958 177.874 176.000 -0.141 0.000 0.970 39 Q CA 1.776 57.530 55.803 -0.080 0.000 0.855 39 Q CB -0.654 28.033 28.738 -0.085 0.000 0.911 39 Q HN 0.256 nan 8.270 nan 0.000 0.438 40 A N 0.223 122.853 122.820 -0.317 0.000 1.930 40 A HA 0.010 4.329 4.320 -0.001 0.000 0.215 40 A C 1.891 179.318 177.584 -0.261 0.000 1.176 40 A CA 0.768 52.514 52.037 -0.485 0.000 0.632 40 A CB -0.788 17.466 19.000 -1.243 0.000 0.819 40 A HN 0.349 nan 8.150 nan 0.000 0.445 41 F N 0.789 120.571 119.950 -0.279 0.000 2.102 41 F HA -0.106 4.421 4.527 -0.001 0.000 0.298 41 F C 1.882 177.703 175.800 0.034 0.000 1.105 41 F CA 1.640 59.682 58.000 0.071 0.000 1.239 41 F CB -0.192 38.901 39.000 0.155 0.000 0.991 41 F HN 0.127 nan 8.300 nan 0.000 0.474 42 L N -0.216 121.047 121.223 0.067 0.000 2.093 42 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 42 L C 2.468 179.263 176.870 -0.124 0.000 1.085 42 L CA 1.342 56.156 54.840 -0.044 0.000 0.755 42 L CB -0.895 41.173 42.059 0.015 0.000 0.904 42 L HN 0.222 nan 8.230 nan 0.000 0.435 43 Q N -0.210 119.528 119.800 -0.103 0.000 2.124 43 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 43 Q C 2.432 178.357 176.000 -0.126 0.000 0.977 43 Q CA 1.545 57.285 55.803 -0.105 0.000 0.850 43 Q CB -0.205 28.481 28.738 -0.087 0.000 0.901 43 Q HN 0.575 nan 8.270 nan 0.000 0.429 44 A N 0.221 122.963 122.820 -0.130 0.000 1.898 44 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 44 A C 2.284 179.760 177.584 -0.179 0.000 1.181 44 A CA 1.134 53.096 52.037 -0.125 0.000 0.620 44 A CB -0.567 18.389 19.000 -0.072 0.000 0.819 44 A HN 0.209 nan 8.150 nan 0.000 0.442 45 V N -0.254 119.487 119.914 -0.288 0.000 2.490 45 V HA -0.192 3.928 4.120 -0.001 0.000 0.250 45 V C 2.794 178.775 176.094 -0.189 0.000 1.061 45 V CA 1.761 63.896 62.300 -0.275 0.000 1.064 45 V CB -0.871 30.672 31.823 -0.467 0.000 0.670 45 V HN 0.591 nan 8.190 nan 0.000 0.461 46 A N -0.926 121.787 122.820 -0.178 0.000 2.238 46 A HA -0.016 4.303 4.320 -0.001 0.000 0.208 46 A C 2.293 179.783 177.584 -0.156 0.000 1.177 46 A CA 0.432 52.384 52.037 -0.142 0.000 0.804 46 A CB -0.379 18.548 19.000 -0.122 0.000 0.823 46 A HN 0.322 nan 8.150 nan 0.000 0.482 47 R N -0.830 119.538 120.500 -0.221 0.000 2.066 47 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 47 R C -0.449 175.527 176.300 -0.540 0.000 1.131 47 R CA 1.221 57.064 56.100 -0.430 0.000 0.955 47 R CB -0.162 29.789 30.300 -0.581 0.000 0.851 47 R HN 0.525 nan 8.270 nan 0.000 0.432 48 Y N 0.066 120.362 120.300 -0.006 0.000 2.658 48 Y HA 0.317 4.866 4.550 -0.001 0.000 0.362 48 Y C -1.764 174.147 175.900 0.018 0.000 1.017 48 Y CA -2.715 55.388 58.100 0.006 0.000 1.134 48 Y CB 1.394 39.860 38.460 0.011 0.000 1.144 48 Y HN 0.113 nan 8.280 nan 0.000 0.655 49 P HA -0.127 nan 4.420 nan 0.000 0.228 49 P C 0.691 178.060 177.300 0.115 0.000 1.151 49 P CA 1.440 64.592 63.100 0.087 0.000 0.770 49 P CB 0.599 32.322 31.700 0.037 0.000 0.786 50 E N -1.244 119.029 120.200 0.121 0.000 2.498 50 E HA 0.086 4.436 4.350 -0.001 0.000 0.203 50 E C 0.710 177.365 176.600 0.091 0.000 1.013 50 E CA -0.280 56.181 56.400 0.102 0.000 0.927 50 E CB 0.181 29.923 29.700 0.070 0.000 1.012 50 E HN 0.271 nan 8.360 nan 0.000 0.482 51 R N 2.383 122.947 120.500 0.106 0.000 2.537 51 R HA 0.101 4.440 4.340 -0.001 0.000 0.280 51 R C -2.337 174.005 176.300 0.069 0.000 1.058 51 R CA -1.548 54.587 56.100 0.058 0.000 1.057 51 R CB 0.352 30.685 30.300 0.055 0.000 0.973 51 R HN -0.201 nan 8.270 nan 0.000 0.438 52 P HA -0.103 nan 4.420 nan 0.000 0.267 52 P C -1.131 176.179 177.300 0.017 0.000 1.201 52 P CA -0.008 63.110 63.100 0.030 0.000 0.775 52 P CB 0.460 32.154 31.700 -0.009 0.000 0.854 53 L N 2.044 123.262 121.223 -0.007 0.000 2.322 53 L HA 0.562 4.902 4.340 -0.001 0.000 0.281 53 L C -0.162 176.626 176.870 -0.138 0.000 1.014 53 L CA -0.168 54.630 54.840 -0.071 0.000 0.815 53 L CB 1.574 43.577 42.059 -0.093 0.000 1.247 53 L HN 0.233 nan 8.230 nan 0.000 0.421 54 S N 5.007 120.632 115.700 -0.125 0.000 2.501 54 S HA 0.783 5.253 4.470 -0.001 0.000 0.301 54 S C -0.912 173.604 174.600 -0.140 0.000 1.096 54 S CA -0.652 57.483 58.200 -0.109 0.000 1.063 54 S CB 0.635 63.822 63.200 -0.023 0.000 1.042 54 S HN 0.576 nan 8.310 nan 0.000 0.494 55 L N 4.306 125.452 121.223 -0.129 0.000 2.346 55 L HA 0.552 4.892 4.340 -0.001 0.000 0.276 55 L C -1.235 175.713 176.870 0.131 0.000 1.006 55 L CA -0.952 53.819 54.840 -0.114 0.000 0.817 55 L CB 1.662 43.550 42.059 -0.285 0.000 1.272 55 L HN 0.742 nan 8.230 nan 0.000 0.421 56 Y N 2.961 123.303 120.300 0.070 0.000 2.376 56 Y HA 0.652 5.202 4.550 -0.001 0.000 0.340 56 Y C -1.061 174.947 175.900 0.180 0.000 0.965 56 Y CA -0.787 57.425 58.100 0.186 0.000 1.078 56 Y CB 1.769 40.325 38.460 0.159 0.000 1.193 56 Y HN 0.215 nan 8.280 nan 0.000 0.452 57 V N 6.121 125.680 119.914 -0.592 0.000 2.487 57 V HA 0.223 4.343 4.120 -0.001 0.000 0.298 57 V C -0.928 174.722 176.094 -0.739 0.000 1.028 57 V CA -0.810 61.194 62.300 -0.493 0.000 0.860 57 V CB 1.163 32.746 31.823 -0.400 0.000 0.991 57 V HN 0.791 nan 8.190 nan 0.000 0.427 58 H N 5.331 124.133 119.070 -0.447 0.000 2.620 58 H HA 0.519 5.074 4.556 -0.001 0.000 0.313 58 H C -0.626 174.597 175.328 -0.175 0.000 1.075 58 H CA -0.484 55.449 56.048 -0.191 0.000 1.397 58 H CB 0.802 30.581 29.762 0.028 0.000 1.446 58 H HN 0.411 nan 8.280 nan 0.000 0.493 59 I N 9.035 129.309 120.570 -0.493 0.000 2.405 59 I HA 0.152 4.322 4.170 -0.001 0.000 0.280 59 I C -1.925 173.754 176.117 -0.730 0.000 1.027 59 I CA -2.513 58.502 61.300 -0.475 0.000 1.161 59 I CB 1.574 39.409 38.000 -0.274 0.000 1.300 59 I HN 0.636 nan 8.210 nan 0.000 0.463 60 P HA 0.029 nan 4.420 nan 0.000 0.240 60 P C 0.253 177.058 177.300 -0.826 0.000 1.190 60 P CA 0.464 63.034 63.100 -0.884 0.000 0.781 60 P CB 0.229 31.370 31.700 -0.932 0.000 0.931 61 F N 0.871 120.454 119.950 -0.612 0.000 2.429 61 F HA 0.204 4.731 4.527 -0.001 0.000 0.348 61 F C 1.228 176.660 175.800 -0.613 0.000 1.109 61 F CA -0.413 57.114 58.000 -0.789 0.000 1.232 61 F CB 0.021 38.156 39.000 -1.442 0.000 1.157 61 F HN -0.042 nan 8.300 nan 0.000 0.564 62 C N 2.397 121.551 119.300 -0.243 0.000 2.707 62 C HA 0.322 4.782 4.460 -0.001 0.000 0.313 62 C C 1.496 176.549 174.990 0.105 0.000 1.209 62 C CA -0.671 58.304 59.018 -0.070 0.000 1.635 62 C CB 1.668 29.375 27.740 -0.056 0.000 2.206 62 C HN 0.836 nan 8.230 nan 0.000 0.485 63 H N 0.413 119.654 119.070 0.285 0.000 2.428 63 H HA 0.087 4.643 4.556 -0.001 0.000 0.296 63 H C 0.568 175.957 175.328 0.102 0.000 1.062 63 H CA 1.118 57.292 56.048 0.209 0.000 1.350 63 H CB 0.305 30.122 29.762 0.091 0.000 1.403 63 H HN 0.534 nan 8.280 nan 0.000 0.533 64 K N 0.199 120.699 120.400 0.167 0.000 2.527 64 K HA 0.222 4.541 4.320 -0.001 0.000 0.260 64 K C -1.594 175.013 176.600 0.012 0.000 0.937 64 K CA -0.926 55.409 56.287 0.080 0.000 0.826 64 K CB 2.155 34.692 32.500 0.061 0.000 1.359 64 K HN -0.074 nan 8.250 nan 0.000 0.434 65 L N 4.506 125.730 121.223 0.001 0.000 2.312 65 L HA 0.322 4.661 4.340 -0.001 0.000 0.287 65 L C -1.072 175.719 176.870 -0.132 0.000 1.091 65 L CA -0.111 54.723 54.840 -0.010 0.000 0.846 65 L CB -0.155 41.967 42.059 0.104 0.000 1.219 65 L HN 0.583 nan 8.230 nan 0.000 0.439 66 C N 5.629 124.776 119.300 -0.255 0.000 2.629 66 C HA 0.090 4.549 4.460 -0.001 0.000 0.410 66 C C 1.363 176.099 174.990 -0.422 0.000 1.339 66 C CA -0.412 58.299 59.018 -0.511 0.000 1.810 66 C CB -0.723 26.501 27.740 -0.860 0.000 2.549 66 C HN 0.758 nan 8.230 nan 0.000 0.589 67 Y N 1.939 122.055 120.300 -0.307 0.000 2.439 67 Y HA -0.017 4.532 4.550 -0.001 0.000 0.292 67 Y C 1.993 177.840 175.900 -0.088 0.000 1.130 67 Y CA 0.903 58.922 58.100 -0.135 0.000 1.254 67 Y CB -0.926 37.529 38.460 -0.007 0.000 1.000 67 Y HN 0.838 nan 8.280 nan 0.000 0.554 68 F N -1.890 118.158 119.950 0.164 0.000 2.710 68 F HA 0.162 4.689 4.527 -0.001 0.000 0.298 68 F C 1.044 176.945 175.800 0.169 0.000 1.137 68 F CA -1.467 56.632 58.000 0.164 0.000 1.444 68 F CB -1.300 37.641 39.000 -0.098 0.000 1.111 68 F HN -0.068 nan 8.300 nan 0.000 0.580 69 C N 2.633 121.712 119.300 -0.368 0.000 2.585 69 C HA 0.618 5.078 4.460 -0.001 0.000 0.406 69 C C 1.766 176.576 174.990 -0.300 0.000 1.312 69 C CA 0.198 59.068 59.018 -0.247 0.000 1.924 69 C CB -0.182 27.322 27.740 -0.393 0.000 2.578 69 C HN 0.737 nan 8.230 nan 0.000 0.580 70 G N 4.354 112.877 108.800 -0.462 0.000 3.324 70 G HA2 0.227 4.187 3.960 -0.001 0.000 0.251 70 G HA3 0.227 4.187 3.960 -0.001 0.000 0.251 70 G C 0.440 175.011 174.900 -0.549 0.000 1.072 70 G CA 0.085 44.504 45.100 -1.136 0.000 0.787 70 G HN 0.804 nan 8.290 nan 0.000 0.537 71 C N 0.894 120.042 119.300 -0.253 0.000 2.580 71 C HA 0.262 4.721 4.460 -0.001 0.000 0.371 71 C C 0.466 175.429 174.990 -0.046 0.000 1.308 71 C CA -0.797 58.157 59.018 -0.106 0.000 2.428 71 C CB 0.568 28.279 27.740 -0.048 0.000 2.529 71 C HN 0.367 nan 8.230 nan 0.000 0.657 72 N N 2.368 121.075 118.700 0.012 0.000 2.739 72 N HA 0.226 4.965 4.740 -0.001 0.000 0.266 72 N C -0.280 175.253 175.510 0.040 0.000 1.168 72 N CA 0.074 53.131 53.050 0.012 0.000 1.055 72 N CB 0.220 38.670 38.487 -0.063 0.000 1.393 72 N HN 0.649 nan 8.380 nan 0.000 0.514 73 K N -0.181 120.188 120.400 -0.052 0.000 2.372 73 K HA 0.705 5.024 4.320 -0.001 0.000 0.251 73 K C -0.792 175.708 176.600 -0.166 0.000 1.055 73 K CA -0.658 55.545 56.287 -0.138 0.000 0.879 73 K CB 1.446 33.865 32.500 -0.136 0.000 1.384 73 K HN 0.060 nan 8.250 nan 0.000 0.465 74 I N 1.158 121.594 120.570 -0.224 0.000 2.500 74 I HA 0.254 4.424 4.170 -0.001 0.000 0.286 74 I C -1.148 174.927 176.117 -0.070 0.000 1.063 74 I CA -1.256 59.960 61.300 -0.139 0.000 1.062 74 I CB 2.253 40.150 38.000 -0.172 0.000 1.223 74 I HN 0.290 nan 8.210 nan 0.000 0.435 75 V N 5.028 124.926 119.914 -0.026 0.000 2.461 75 V HA 0.504 4.623 4.120 -0.001 0.000 0.275 75 V C 0.225 176.344 176.094 0.043 0.000 1.047 75 V CA 0.175 62.482 62.300 0.012 0.000 0.955 75 V CB 1.298 33.135 31.823 0.024 0.000 0.988 75 V HN 0.820 nan 8.190 nan 0.000 0.471 76 T N 5.186 119.784 114.554 0.073 0.000 3.012 76 T HA 0.363 4.712 4.350 -0.001 0.000 0.330 76 T C 0.292 175.094 174.700 0.170 0.000 1.321 76 T CA -0.709 61.436 62.100 0.074 0.000 1.067 76 T CB 1.443 70.310 68.868 -0.002 0.000 1.235 76 T HN 0.510 nan 8.240 nan 0.000 0.479 77 R N 1.973 122.546 120.500 0.121 0.000 2.300 77 R HA 0.187 4.526 4.340 -0.001 0.000 0.199 77 R C 0.481 176.829 176.300 0.080 0.000 0.920 77 R CA 0.189 56.365 56.100 0.126 0.000 1.046 77 R CB 0.134 30.480 30.300 0.076 0.000 0.984 77 R HN 0.657 nan 8.270 nan 0.000 0.493 78 Q N 1.381 121.191 119.800 0.018 0.000 2.641 78 Q HA 0.043 4.383 4.340 -0.001 0.000 0.225 78 Q C 0.924 176.800 176.000 -0.207 0.000 1.309 78 Q CA -0.121 55.632 55.803 -0.083 0.000 0.935 78 Q CB 0.759 29.398 28.738 -0.165 0.000 1.557 78 Q HN 0.035 nan 8.270 nan 0.000 0.563 79 Q N 1.608 121.391 119.800 -0.028 0.000 2.226 79 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 79 Q C 1.812 177.783 176.000 -0.048 0.000 0.975 79 Q CA 1.361 57.176 55.803 0.020 0.000 0.866 79 Q CB 0.051 28.774 28.738 -0.026 0.000 0.915 79 Q HN 0.814 nan 8.270 nan 0.000 0.440 80 H N -0.708 118.356 119.070 -0.009 0.000 2.518 80 H HA -0.084 4.471 4.556 -0.001 0.000 0.294 80 H C 1.253 176.552 175.328 -0.049 0.000 1.083 80 H CA 1.169 57.206 56.048 -0.017 0.000 1.264 80 H CB -0.016 29.739 29.762 -0.011 0.000 1.370 80 H HN 0.155 nan 8.280 nan 0.000 0.560 81 K N 0.706 120.709 120.400 -0.662 0.000 2.209 81 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 81 K C 2.522 178.898 176.600 -0.374 0.000 1.048 81 K CA 1.008 56.990 56.287 -0.508 0.000 0.940 81 K CB 0.014 32.072 32.500 -0.736 0.000 0.729 81 K HN 0.383 nan 8.250 nan 0.000 0.451 82 A N 1.719 124.323 122.820 -0.361 0.000 1.930 82 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 82 A C 1.590 179.266 177.584 0.153 0.000 1.175 82 A CA 1.555 53.560 52.037 -0.054 0.000 0.627 82 A CB -0.216 18.847 19.000 0.104 0.000 0.815 82 A HN 0.176 nan 8.150 nan 0.000 0.443 83 D N -0.169 120.293 120.400 0.105 0.000 2.117 83 D HA -0.155 4.484 4.640 -0.001 0.000 0.198 83 D C 2.139 178.516 176.300 0.129 0.000 0.982 83 D CA 1.461 55.533 54.000 0.120 0.000 0.828 83 D CB -0.372 40.489 40.800 0.102 0.000 0.967 83 D HN 0.628 nan 8.370 nan 0.000 0.464 84 Q N -0.458 119.423 119.800 0.135 0.000 2.124 84 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 84 Q C 2.054 178.171 176.000 0.196 0.000 0.977 84 Q CA 1.042 56.902 55.803 0.095 0.000 0.850 84 Q CB -0.213 28.563 28.738 0.063 0.000 0.901 84 Q HN 0.371 nan 8.270 nan 0.000 0.429 85 Y N 1.168 121.623 120.300 0.259 0.000 2.200 85 Y HA -0.146 4.404 4.550 -0.001 0.000 0.290 85 Y C 1.795 177.853 175.900 0.264 0.000 1.137 85 Y CA 1.156 59.505 58.100 0.416 0.000 1.163 85 Y CB -0.071 38.698 38.460 0.515 0.000 0.988 85 Y HN 0.006 nan 8.280 nan 0.000 0.518 86 L N -0.245 121.091 121.223 0.188 0.000 2.201 86 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 86 L C 1.847 178.738 176.870 0.035 0.000 1.105 86 L CA 1.251 56.126 54.840 0.058 0.000 0.775 86 L CB -0.604 41.512 42.059 0.096 0.000 0.913 86 L HN 0.224 nan 8.230 nan 0.000 0.440 87 D N 0.528 120.959 120.400 0.052 0.000 2.117 87 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 87 D C 2.222 178.528 176.300 0.009 0.000 0.987 87 D CA 1.575 55.588 54.000 0.022 0.000 0.829 87 D CB 0.068 40.867 40.800 -0.002 0.000 0.961 87 D HN 0.309 nan 8.370 nan 0.000 0.460 88 A N 0.573 123.406 122.820 0.022 0.000 1.897 88 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 88 A C 2.411 180.006 177.584 0.017 0.000 1.181 88 A CA 0.674 52.736 52.037 0.043 0.000 0.620 88 A CB -0.715 18.446 19.000 0.268 0.000 0.821 88 A HN 0.176 nan 8.150 nan 0.000 0.443 89 L N -0.654 120.542 121.223 -0.046 0.000 2.046 89 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 89 L C 2.652 179.543 176.870 0.035 0.000 1.077 89 L CA 1.879 56.696 54.840 -0.037 0.000 0.747 89 L CB -0.493 41.476 42.059 -0.149 0.000 0.896 89 L HN 0.630 nan 8.230 nan 0.000 0.432 90 E N -0.332 119.888 120.200 0.034 0.000 2.070 90 E HA -0.290 4.059 4.350 -0.001 0.000 0.197 90 E C 2.230 178.882 176.600 0.086 0.000 1.004 90 E CA 1.445 57.881 56.400 0.061 0.000 0.805 90 E CB 0.108 29.838 29.700 0.050 0.000 0.744 90 E HN 0.407 nan 8.360 nan 0.000 0.451 91 Q N 0.317 120.164 119.800 0.079 0.000 2.079 91 Q HA -0.176 4.164 4.340 -0.001 0.000 0.200 91 Q C 1.987 178.098 176.000 0.186 0.000 0.974 91 Q CA 1.422 57.308 55.803 0.139 0.000 0.840 91 Q CB -0.311 28.454 28.738 0.045 0.000 0.898 91 Q HN 0.486 nan 8.270 nan 0.000 0.430 92 E N 0.358 120.610 120.200 0.086 0.000 2.077 92 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 92 E C 2.033 178.747 176.600 0.190 0.000 0.989 92 E CA 0.765 57.228 56.400 0.105 0.000 0.800 92 E CB -0.045 29.718 29.700 0.104 0.000 0.746 92 E HN 0.298 nan 8.360 nan 0.000 0.452 93 I N 0.226 120.903 120.570 0.178 0.000 2.252 93 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 93 I C 2.397 178.579 176.117 0.110 0.000 1.102 93 I CA 0.598 62.012 61.300 0.190 0.000 1.385 93 I CB -0.093 38.021 38.000 0.190 0.000 1.064 93 I HN 0.057 nan 8.210 nan 0.000 0.414 94 V N 0.447 120.422 119.914 0.102 0.000 2.407 94 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 94 V C 2.353 178.418 176.094 -0.049 0.000 1.055 94 V CA 1.864 64.170 62.300 0.010 0.000 1.049 94 V CB -0.827 31.001 31.823 0.008 0.000 0.662 94 V HN 0.465 nan 8.190 nan 0.000 0.455 95 H N -0.988 118.104 119.070 0.036 0.000 2.415 95 H HA 0.078 4.633 4.556 -0.001 0.000 0.297 95 H C 2.421 177.805 175.328 0.094 0.000 1.048 95 H CA 0.834 56.909 56.048 0.046 0.000 1.365 95 H CB 0.300 30.081 29.762 0.032 0.000 1.421 95 H HN 0.251 nan 8.280 nan 0.000 0.533 96 R N 0.708 121.370 120.500 0.269 0.000 2.112 96 R HA 0.129 4.469 4.340 -0.001 0.000 0.216 96 R C 2.375 178.921 176.300 0.410 0.000 1.080 96 R CA 0.805 57.129 56.100 0.373 0.000 0.996 96 R CB -0.560 30.018 30.300 0.462 0.000 0.902 96 R HN 0.204 nan 8.270 nan 0.000 0.449 97 A N 2.104 125.044 122.820 0.200 0.000 1.940 97 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 97 A C -0.592 176.996 177.584 0.006 0.000 1.176 97 A CA 1.209 53.198 52.037 -0.080 0.000 0.631 97 A CB -1.374 17.195 19.000 -0.718 0.000 0.814 97 A HN 0.189 nan 8.150 nan 0.000 0.446 98 P HA -0.112 nan 4.420 nan 0.000 0.221 98 P C 1.187 178.471 177.300 -0.027 0.000 1.145 98 P CA 0.712 63.797 63.100 -0.024 0.000 0.795 98 P CB -0.185 31.492 31.700 -0.038 0.000 0.775 99 L N -2.912 118.284 121.223 -0.046 0.000 2.265 99 L HA -0.077 4.262 4.340 -0.001 0.000 0.215 99 L C 1.128 177.693 176.870 -0.507 0.000 1.117 99 L CA 1.181 55.839 54.840 -0.304 0.000 0.782 99 L CB -0.658 41.135 42.059 -0.443 0.000 0.914 99 L HN -0.040 nan 8.230 nan 0.000 0.441 100 F N -1.366 118.636 119.950 0.087 0.000 2.735 100 F HA 0.343 4.869 4.527 -0.001 0.000 0.304 100 F C 1.890 177.730 175.800 0.066 0.000 1.119 100 F CA -0.009 58.061 58.000 0.117 0.000 1.280 100 F CB -0.376 38.790 39.000 0.276 0.000 0.994 100 F HN -0.127 nan 8.300 nan 0.000 0.520 101 A N 0.497 123.378 122.820 0.103 0.000 1.948 101 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 101 A C 2.471 180.072 177.584 0.028 0.000 1.177 101 A CA 1.931 53.993 52.037 0.043 0.000 0.636 101 A CB -1.185 17.815 19.000 -0.000 0.000 0.815 101 A HN 0.439 nan 8.150 nan 0.000 0.449 102 G N -1.115 107.710 108.800 0.041 0.000 2.848 102 G HA2 0.144 4.104 3.960 -0.001 0.000 0.208 102 G HA3 0.144 4.104 3.960 -0.001 0.000 0.208 102 G C 0.710 175.634 174.900 0.041 0.000 1.152 102 G CA -0.337 44.786 45.100 0.038 0.000 0.789 102 G HN 0.308 nan 8.290 nan 0.000 0.531 103 R N 0.195 120.726 120.500 0.052 0.000 2.596 103 R HA 0.448 4.787 4.340 -0.001 0.000 0.267 103 R C -0.796 175.427 176.300 -0.128 0.000 1.026 103 R CA -0.535 55.624 56.100 0.098 0.000 1.087 103 R CB 0.643 31.079 30.300 0.227 0.000 1.132 103 R HN 0.230 nan 8.270 nan 0.000 0.531 104 H N 0.068 119.177 119.070 0.065 0.000 2.547 104 H HA 0.300 4.855 4.556 -0.001 0.000 0.342 104 H C -0.551 174.747 175.328 -0.050 0.000 1.048 104 H CA -0.737 55.325 56.048 0.024 0.000 1.204 104 H CB 2.252 32.028 29.762 0.024 0.000 1.493 104 H HN 0.082 nan 8.280 nan 0.000 0.511 105 V N 3.388 123.256 119.914 -0.076 0.000 2.406 105 V HA -0.007 4.112 4.120 -0.001 0.000 0.272 105 V C 1.210 177.184 176.094 -0.200 0.000 1.043 105 V CA 0.086 62.215 62.300 -0.284 0.000 0.915 105 V CB 1.282 32.661 31.823 -0.740 0.000 0.988 105 V HN 0.885 nan 8.190 nan 0.000 0.466 106 S N 3.027 118.649 115.700 -0.130 0.000 2.511 106 S HA 0.171 4.640 4.470 -0.001 0.000 0.214 106 S C 0.392 174.957 174.600 -0.059 0.000 0.997 106 S CA -0.190 57.972 58.200 -0.063 0.000 0.908 106 S CB 0.132 63.314 63.200 -0.030 0.000 0.803 106 S HN 0.865 nan 8.310 nan 0.000 0.504 107 Q N -0.243 119.496 119.800 -0.102 0.000 2.426 107 Q HA 0.671 5.011 4.340 -0.001 0.000 0.278 107 Q C -2.280 173.688 176.000 -0.053 0.000 1.007 107 Q CA -1.097 54.684 55.803 -0.037 0.000 0.850 107 Q CB 1.421 30.175 28.738 0.026 0.000 1.427 107 Q HN 0.244 nan 8.270 nan 0.000 0.391 108 L N 1.721 122.966 121.223 0.036 0.000 2.464 108 L HA 0.658 4.997 4.340 -0.001 0.000 0.266 108 L C -2.112 174.882 176.870 0.205 0.000 0.965 108 L CA -0.061 54.840 54.840 0.102 0.000 0.833 108 L CB 2.310 44.443 42.059 0.123 0.000 1.296 108 L HN 0.925 nan 8.230 nan 0.000 0.405 109 H N 3.153 122.351 119.070 0.213 0.000 2.771 109 H HA 0.649 5.205 4.556 -0.001 0.000 0.361 109 H C -1.954 173.605 175.328 0.385 0.000 1.108 109 H CA -0.376 55.840 56.048 0.280 0.000 1.201 109 H CB 1.252 31.215 29.762 0.336 0.000 1.681 109 H HN 0.584 nan 8.280 nan 0.000 0.534 110 W N 3.860 124.984 121.300 -0.295 0.000 2.429 110 W HA 0.611 5.271 4.660 -0.001 0.000 0.314 110 W C 0.252 176.627 176.519 -0.241 0.000 1.062 110 W CA -0.748 56.450 57.345 -0.245 0.000 1.211 110 W CB 1.433 30.832 29.460 -0.102 0.000 1.305 110 W HN 0.780 nan 8.180 nan 0.000 0.476 111 G N 0.124 109.048 108.800 0.206 0.000 3.140 111 G HA2 0.808 4.768 3.960 -0.001 0.000 0.271 111 G HA3 0.808 4.768 3.960 -0.001 0.000 0.271 111 G C -0.541 174.337 174.900 -0.036 0.000 1.370 111 G CA -0.109 45.216 45.100 0.374 0.000 1.014 111 G HN 0.766 nan 8.290 nan 0.000 0.541 112 G N -2.519 106.224 108.800 -0.094 0.000 2.485 112 G HA2 0.691 4.651 3.960 -0.001 0.000 0.182 112 G HA3 0.691 4.651 3.960 -0.001 0.000 0.182 112 G C 0.389 175.181 174.900 -0.179 0.000 1.172 112 G CA 0.972 45.761 45.100 -0.517 0.000 0.996 112 G HN 2.416 nan 8.290 nan 0.000 0.496 113 G N -1.744 106.957 108.800 -0.167 0.000 2.752 113 G HA2 0.280 4.240 3.960 -0.001 0.000 0.234 113 G HA3 0.280 4.240 3.960 -0.001 0.000 0.234 113 G C -0.147 174.663 174.900 -0.151 0.000 1.367 113 G CA 0.473 45.428 45.100 -0.242 0.000 0.879 113 G HN 1.660 nan 8.290 nan 0.000 0.563 114 T N 2.547 117.015 114.554 -0.143 0.000 2.977 114 T HA 0.550 4.899 4.350 -0.001 0.000 0.346 114 T C -1.398 173.301 174.700 -0.001 0.000 1.140 114 T CA -0.494 61.580 62.100 -0.042 0.000 1.040 114 T CB 2.041 70.899 68.868 -0.017 0.000 1.046 114 T HN 0.333 nan 8.240 nan 0.000 0.494 115 P HA -0.136 nan 4.420 nan 0.000 0.216 115 P C 1.691 179.089 177.300 0.163 0.000 1.150 115 P CA 1.171 64.335 63.100 0.107 0.000 0.843 115 P CB -0.120 31.695 31.700 0.191 0.000 0.787 116 T N -5.457 109.168 114.554 0.117 0.000 3.215 116 T HA -0.094 4.255 4.350 -0.001 0.000 0.254 116 T C 1.511 176.295 174.700 0.139 0.000 1.149 116 T CA 0.027 62.198 62.100 0.119 0.000 1.042 116 T CB -1.249 67.664 68.868 0.075 0.000 0.966 116 T HN 0.047 nan 8.240 nan 0.000 0.534 117 Y N 2.130 122.415 120.300 -0.025 0.000 2.207 117 Y HA 0.160 4.710 4.550 -0.001 0.000 0.287 117 Y C 0.853 176.779 175.900 0.042 0.000 1.156 117 Y CA 0.389 58.440 58.100 -0.082 0.000 1.182 117 Y CB -0.414 37.951 38.460 -0.158 0.000 0.979 117 Y HN 0.229 nan 8.280 nan 0.000 0.521 118 L N 2.798 124.183 121.223 0.270 0.000 2.513 118 L HA -0.029 4.310 4.340 -0.001 0.000 0.272 118 L C 0.391 177.339 176.870 0.131 0.000 1.187 118 L CA -0.167 54.798 54.840 0.210 0.000 0.895 118 L CB -0.199 41.992 42.059 0.220 0.000 1.147 118 L HN 0.382 nan 8.230 nan 0.000 0.483 119 N N 3.223 121.971 118.700 0.081 0.000 2.294 119 N HA 0.045 4.784 4.740 -0.001 0.000 0.248 119 N C 0.502 176.039 175.510 0.045 0.000 1.300 119 N CA -0.282 52.790 53.050 0.036 0.000 0.925 119 N CB 0.554 39.040 38.487 -0.002 0.000 1.188 119 N HN 0.384 nan 8.380 nan 0.000 0.512 120 K N -0.749 119.614 120.400 -0.061 0.000 2.063 120 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 120 K C 1.898 178.482 176.600 -0.027 0.000 1.048 120 K CA 1.869 58.011 56.287 -0.241 0.000 0.928 120 K CB -0.506 31.633 32.500 -0.602 0.000 0.713 120 K HN 0.644 nan 8.250 nan 0.000 0.442 121 A N 1.461 124.288 122.820 0.011 0.000 1.902 121 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 121 A C 2.078 179.747 177.584 0.141 0.000 1.181 121 A CA 1.431 53.520 52.037 0.087 0.000 0.623 121 A CB -0.456 18.578 19.000 0.056 0.000 0.818 121 A HN 0.316 nan 8.150 nan 0.000 0.443 122 Q N -0.538 119.343 119.800 0.136 0.000 2.079 122 Q HA -0.080 4.259 4.340 -0.001 0.000 0.200 122 Q C 2.020 178.161 176.000 0.235 0.000 0.974 122 Q CA 1.479 57.378 55.803 0.161 0.000 0.840 122 Q CB -0.327 28.499 28.738 0.146 0.000 0.898 122 Q HN 0.730 nan 8.270 nan 0.000 0.430 123 I N 0.329 121.087 120.570 0.314 0.000 2.163 123 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 123 I C 2.258 178.669 176.117 0.490 0.000 1.085 123 I CA 1.130 62.737 61.300 0.512 0.000 1.347 123 I CB -0.217 38.086 38.000 0.506 0.000 1.044 123 I HN 0.110 nan 8.210 nan 0.000 0.408 124 S N 0.071 116.014 115.700 0.405 0.000 2.368 124 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 124 S C 2.045 176.782 174.600 0.229 0.000 1.030 124 S CA 1.256 59.638 58.200 0.303 0.000 0.999 124 S CB -0.376 62.998 63.200 0.288 0.000 0.844 124 S HN 0.366 nan 8.310 nan 0.000 0.459 125 R N 0.639 121.263 120.500 0.206 0.000 2.083 125 R HA -0.102 4.238 4.340 -0.001 0.000 0.237 125 R C 2.306 178.707 176.300 0.167 0.000 1.137 125 R CA 1.375 57.568 56.100 0.156 0.000 0.951 125 R CB -0.460 29.916 30.300 0.127 0.000 0.851 125 R HN 0.340 nan 8.270 nan 0.000 0.434 126 L N 0.614 121.959 121.223 0.203 0.000 2.093 126 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 126 L C 2.327 179.386 176.870 0.315 0.000 1.085 126 L CA 1.734 56.688 54.840 0.191 0.000 0.755 126 L CB -0.420 41.647 42.059 0.014 0.000 0.904 126 L HN 0.265 nan 8.230 nan 0.000 0.435 127 M N -0.694 119.151 119.600 0.408 0.000 2.229 127 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 127 M C 2.218 178.583 176.300 0.108 0.000 1.063 127 M CA 1.634 57.095 55.300 0.268 0.000 1.114 127 M CB -0.252 32.452 32.600 0.173 0.000 1.387 127 M HN 0.186 nan 8.290 nan 0.000 0.420 128 K N -0.105 120.362 120.400 0.113 0.000 2.057 128 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 128 K C 1.707 178.358 176.600 0.085 0.000 1.049 128 K CA 1.525 57.853 56.287 0.068 0.000 0.931 128 K CB -0.276 32.267 32.500 0.072 0.000 0.714 128 K HN 0.407 nan 8.250 nan 0.000 0.440 129 L N 0.494 121.790 121.223 0.122 0.000 2.046 129 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 129 L C 2.288 179.276 176.870 0.196 0.000 1.077 129 L CA 1.053 55.972 54.840 0.132 0.000 0.747 129 L CB -0.314 41.826 42.059 0.134 0.000 0.896 129 L HN 0.232 nan 8.230 nan 0.000 0.432 130 L N -0.926 120.456 121.223 0.265 0.000 2.044 130 L HA -0.162 4.177 4.340 -0.001 0.000 0.205 130 L C 2.814 179.951 176.870 0.445 0.000 1.075 130 L CA 1.206 56.325 54.840 0.466 0.000 0.747 130 L CB -0.439 41.904 42.059 0.474 0.000 0.903 130 L HN 0.153 nan 8.230 nan 0.000 0.435 131 R N -0.026 120.520 120.500 0.077 0.000 2.115 131 R HA -0.141 4.198 4.340 -0.001 0.000 0.230 131 R C 1.964 178.316 176.300 0.087 0.000 1.111 131 R CA 1.180 57.228 56.100 -0.085 0.000 0.976 131 R CB -0.159 29.994 30.300 -0.245 0.000 0.870 131 R HN 0.469 nan 8.270 nan 0.000 0.445 132 E N -0.277 119.972 120.200 0.081 0.000 2.371 132 E HA -0.003 4.346 4.350 -0.001 0.000 0.194 132 E C 1.071 177.699 176.600 0.046 0.000 1.012 132 E CA 0.322 56.756 56.400 0.057 0.000 0.860 132 E CB 0.238 29.959 29.700 0.036 0.000 0.811 132 E HN 0.310 nan 8.360 nan 0.000 0.502 133 N N -0.506 118.228 118.700 0.057 0.000 2.250 133 N HA 0.100 4.839 4.740 -0.001 0.000 0.190 133 N C -0.522 174.793 175.510 -0.325 0.000 1.116 133 N CA 0.312 53.278 53.050 -0.140 0.000 0.881 133 N CB 0.794 39.144 38.487 -0.228 0.000 1.006 133 N HN -0.042 nan 8.380 nan 0.000 0.491 134 F N 0.685 120.751 119.950 0.192 0.000 2.577 134 F HA 0.354 4.880 4.527 -0.001 0.000 0.318 134 F C 0.417 176.351 175.800 0.222 0.000 1.065 134 F CA -0.923 57.178 58.000 0.169 0.000 0.929 134 F CB 1.695 40.771 39.000 0.126 0.000 1.237 134 F HN -0.332 nan 8.300 nan 0.000 0.468 135 Q N 2.109 122.076 119.800 0.278 0.000 2.377 135 Q HA 0.352 4.692 4.340 -0.001 0.000 0.249 135 Q C -1.540 174.576 176.000 0.192 0.000 1.005 135 Q CA -0.382 55.533 55.803 0.186 0.000 0.912 135 Q CB 0.418 29.130 28.738 -0.043 0.000 1.223 135 Q HN 0.470 nan 8.270 nan 0.000 0.459 136 F N 2.818 122.812 119.950 0.075 0.000 2.410 136 F HA 0.251 4.777 4.527 -0.001 0.000 0.348 136 F C 0.604 176.445 175.800 0.069 0.000 1.106 136 F CA -0.698 57.336 58.000 0.058 0.000 1.163 136 F CB 0.761 39.776 39.000 0.025 0.000 1.129 136 F HN 0.476 nan 8.300 nan 0.000 0.516 137 N N 1.839 120.644 118.700 0.174 0.000 2.441 137 N HA 0.117 4.857 4.740 -0.001 0.000 0.251 137 N C 0.896 176.490 175.510 0.141 0.000 1.242 137 N CA 0.331 53.468 53.050 0.144 0.000 0.898 137 N CB 0.977 39.513 38.487 0.082 0.000 1.100 137 N HN 0.739 nan 8.380 nan 0.000 0.443 138 A N 1.306 124.186 122.820 0.099 0.000 1.972 138 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 138 A C 0.918 178.529 177.584 0.045 0.000 1.169 138 A CA 1.607 53.684 52.037 0.066 0.000 0.635 138 A CB -0.241 18.785 19.000 0.044 0.000 0.810 138 A HN 0.755 nan 8.150 nan 0.000 0.446 139 D N -0.419 120.007 120.400 0.043 0.000 2.491 139 D HA 0.419 5.058 4.640 -0.001 0.000 0.228 139 D C 0.345 176.666 176.300 0.034 0.000 1.183 139 D CA 0.192 54.209 54.000 0.028 0.000 0.827 139 D CB -0.717 40.094 40.800 0.019 0.000 0.989 139 D HN 0.320 nan 8.370 nan 0.000 0.494 140 A N 0.769 123.623 122.820 0.056 0.000 2.548 140 A HA 0.056 4.376 4.320 -0.001 0.000 0.247 140 A C 0.391 177.999 177.584 0.040 0.000 1.067 140 A CA -0.103 51.965 52.037 0.052 0.000 0.757 140 A CB -0.184 18.878 19.000 0.103 0.000 0.996 140 A HN 0.302 nan 8.150 nan 0.000 0.504 141 E N 1.117 121.340 120.200 0.038 0.000 2.493 141 E HA 0.205 4.554 4.350 -0.001 0.000 0.255 141 E C -0.735 175.895 176.600 0.050 0.000 0.999 141 E CA 0.805 57.238 56.400 0.055 0.000 0.934 141 E CB 0.244 29.989 29.700 0.076 0.000 0.940 141 E HN 0.522 nan 8.360 nan 0.000 0.473 142 I N 3.219 123.805 120.570 0.027 0.000 2.476 142 I HA 0.147 4.316 4.170 -0.001 0.000 0.281 142 I C -0.439 175.728 176.117 0.083 0.000 1.040 142 I CA -0.446 60.808 61.300 -0.077 0.000 1.094 142 I CB 1.305 39.114 38.000 -0.318 0.000 1.219 142 I HN 0.419 nan 8.210 nan 0.000 0.450 143 S N 6.834 122.642 115.700 0.180 0.000 2.599 143 S HA 0.878 5.348 4.470 -0.001 0.000 0.294 143 S C -0.744 173.889 174.600 0.055 0.000 1.094 143 S CA -0.781 57.584 58.200 0.275 0.000 0.931 143 S CB 2.958 66.387 63.200 0.382 0.000 1.093 143 S HN 0.587 nan 8.310 nan 0.000 0.488 144 I N 0.065 120.602 120.570 -0.055 0.000 2.918 144 I HA 0.429 4.599 4.170 -0.001 0.000 0.301 144 I C -1.628 174.415 176.117 -0.123 0.000 1.312 144 I CA -0.643 60.501 61.300 -0.260 0.000 1.007 144 I CB 2.169 39.875 38.000 -0.489 0.000 1.281 144 I HN 0.851 nan 8.210 nan 0.000 0.440 145 E N 5.053 125.217 120.200 -0.060 0.000 2.231 145 E HA 0.583 4.932 4.350 -0.001 0.000 0.277 145 E C -1.423 175.184 176.600 0.011 0.000 0.999 145 E CA -0.819 55.608 56.400 0.045 0.000 0.827 145 E CB 2.651 32.438 29.700 0.145 0.000 1.101 145 E HN 0.284 nan 8.360 nan 0.000 0.393 146 V N 2.175 122.097 119.914 0.014 0.000 2.577 146 V HA 0.112 4.231 4.120 -0.001 0.000 0.303 146 V C -0.803 175.320 176.094 0.048 0.000 1.042 146 V CA -0.929 61.375 62.300 0.007 0.000 0.872 146 V CB 1.991 33.783 31.823 -0.051 0.000 0.998 146 V HN 0.649 nan 8.190 nan 0.000 0.423 147 D N 6.768 127.213 120.400 0.075 0.000 2.295 147 D HA 0.349 4.989 4.640 -0.001 0.000 0.248 147 D C -1.891 174.491 176.300 0.137 0.000 1.154 147 D CA -2.010 52.052 54.000 0.104 0.000 0.857 147 D CB 2.003 42.870 40.800 0.112 0.000 1.117 147 D HN 0.314 nan 8.370 nan 0.000 0.468 148 P HA 0.195 nan 4.420 nan 0.000 0.226 148 P C -0.702 176.780 177.300 0.303 0.000 1.758 148 P CA -0.138 63.110 63.100 0.248 0.000 0.896 148 P CB -0.047 31.771 31.700 0.196 0.000 1.784 149 R N 0.252 120.870 120.500 0.196 0.000 2.725 149 R HA 0.265 4.605 4.340 -0.001 0.000 0.277 149 R C -0.076 176.251 176.300 0.046 0.000 0.987 149 R CA -0.813 55.336 56.100 0.083 0.000 0.901 149 R CB 1.357 31.707 30.300 0.084 0.000 1.207 149 R HN -0.005 nan 8.270 nan 0.000 0.463 150 E N 1.212 121.354 120.200 -0.096 0.000 2.269 150 E HA -0.257 4.093 4.350 -0.001 0.000 0.223 150 E C -0.781 175.776 176.600 -0.072 0.000 1.244 150 E CA 0.757 57.060 56.400 -0.162 0.000 0.713 150 E CB -0.982 28.525 29.700 -0.321 0.000 1.178 150 E HN 0.391 nan 8.360 nan 0.000 0.370 151 I N -0.084 120.466 120.570 -0.033 0.000 2.752 151 I HA 0.214 4.384 4.170 -0.001 0.000 0.295 151 I C -0.510 175.679 176.117 0.120 0.000 1.219 151 I CA -0.796 60.550 61.300 0.077 0.000 1.030 151 I CB 1.646 39.748 38.000 0.171 0.000 1.259 151 I HN -0.038 nan 8.210 nan 0.000 0.423 152 E N 5.701 125.973 120.200 0.120 0.000 2.242 152 E HA 0.295 4.644 4.350 -0.001 0.000 0.275 152 E C 0.615 177.346 176.600 0.218 0.000 1.002 152 E CA -0.577 55.915 56.400 0.153 0.000 0.841 152 E CB 2.065 31.806 29.700 0.068 0.000 1.109 152 E HN 0.593 nan 8.360 nan 0.000 0.394 153 L N 1.848 123.209 121.223 0.229 0.000 2.081 153 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 153 L C 1.883 178.864 176.870 0.185 0.000 1.080 153 L CA 1.327 56.254 54.840 0.146 0.000 0.754 153 L CB -0.502 41.525 42.059 -0.054 0.000 0.893 153 L HN 0.654 nan 8.230 nan 0.000 0.433 154 D N -0.610 119.873 120.400 0.138 0.000 2.350 154 D HA -0.117 4.522 4.640 -0.001 0.000 0.216 154 D C 1.883 178.292 176.300 0.181 0.000 0.968 154 D CA 0.601 54.703 54.000 0.170 0.000 0.894 154 D CB -0.412 40.457 40.800 0.115 0.000 0.909 154 D HN 0.153 nan 8.370 nan 0.000 0.520 155 V N 0.728 120.735 119.914 0.155 0.000 2.490 155 V HA -0.220 3.899 4.120 -0.001 0.000 0.250 155 V C 2.672 178.880 176.094 0.191 0.000 1.061 155 V CA 1.178 63.569 62.300 0.152 0.000 1.064 155 V CB -0.523 31.364 31.823 0.105 0.000 0.670 155 V HN 0.285 nan 8.190 nan 0.000 0.461 156 L N -0.095 121.242 121.223 0.190 0.000 2.046 156 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 156 L C 2.252 179.291 176.870 0.281 0.000 1.077 156 L CA 1.967 56.932 54.840 0.208 0.000 0.747 156 L CB -0.873 41.278 42.059 0.153 0.000 0.896 156 L HN 0.359 nan 8.230 nan 0.000 0.432 157 D N -1.247 119.303 120.400 0.250 0.000 2.123 157 D HA -0.233 4.406 4.640 -0.001 0.000 0.196 157 D C 2.051 178.465 176.300 0.190 0.000 0.992 157 D CA 1.285 55.402 54.000 0.195 0.000 0.833 157 D CB -0.128 40.797 40.800 0.207 0.000 0.954 157 D HN 0.349 nan 8.370 nan 0.000 0.455 158 H N 0.111 119.255 119.070 0.124 0.000 2.357 158 H HA 0.025 4.580 4.556 -0.001 0.000 0.301 158 H C 1.858 177.265 175.328 0.131 0.000 1.082 158 H CA 1.119 57.233 56.048 0.110 0.000 1.342 158 H CB -0.197 29.627 29.762 0.102 0.000 1.389 158 H HN 0.073 nan 8.280 nan 0.000 0.511 159 L N -0.383 120.958 121.223 0.197 0.000 2.012 159 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 159 L C 2.717 179.724 176.870 0.228 0.000 1.073 159 L CA 1.581 56.531 54.840 0.183 0.000 0.748 159 L CB -0.373 41.746 42.059 0.100 0.000 0.891 159 L HN 0.176 nan 8.230 nan 0.000 0.431 160 R N 0.365 120.949 120.500 0.140 0.000 2.091 160 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 160 R C 2.262 178.515 176.300 -0.079 0.000 1.136 160 R CA 1.658 57.707 56.100 -0.085 0.000 0.959 160 R CB -0.598 29.609 30.300 -0.154 0.000 0.856 160 R HN 0.370 nan 8.270 nan 0.000 0.437 161 A N 0.355 123.139 122.820 -0.060 0.000 2.015 161 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 161 A C 1.549 179.058 177.584 -0.125 0.000 1.163 161 A CA 1.370 53.352 52.037 -0.091 0.000 0.646 161 A CB -0.282 18.671 19.000 -0.078 0.000 0.806 161 A HN 0.290 nan 8.150 nan 0.000 0.448 162 E N -1.258 118.863 120.200 -0.132 0.000 2.502 162 E HA 0.140 4.489 4.350 -0.001 0.000 0.194 162 E C 1.207 177.709 176.600 -0.162 0.000 1.062 162 E CA 0.725 57.055 56.400 -0.116 0.000 0.867 162 E CB -0.018 29.666 29.700 -0.028 0.000 0.888 162 E HN 0.799 nan 8.360 nan 0.000 0.510 163 G N 1.010 109.725 108.800 -0.141 0.000 2.163 163 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.213 163 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.213 163 G C 0.007 174.755 174.900 -0.254 0.000 0.991 163 G CA -0.439 44.534 45.100 -0.212 0.000 0.653 163 G HN 0.161 nan 8.290 nan 0.000 0.518 164 F N 1.731 121.583 119.950 -0.162 0.000 2.538 164 F HA 0.380 4.907 4.527 -0.001 0.000 0.371 164 F C 1.420 177.107 175.800 -0.187 0.000 1.087 164 F CA 0.694 58.637 58.000 -0.096 0.000 1.250 164 F CB 0.898 39.915 39.000 0.027 0.000 1.110 164 F HN 0.244 nan 8.300 nan 0.000 0.570 165 N N 1.054 119.798 118.700 0.074 0.000 2.143 165 N HA 0.182 4.921 4.740 -0.001 0.000 0.222 165 N C -0.365 175.281 175.510 0.227 0.000 1.264 165 N CA -0.347 52.665 53.050 -0.064 0.000 0.897 165 N CB 0.580 39.023 38.487 -0.073 0.000 1.092 165 N HN 0.416 nan 8.380 nan 0.000 0.516 166 R N 0.053 120.827 120.500 0.456 0.000 2.698 166 R HA 0.560 4.900 4.340 -0.001 0.000 0.275 166 R C -1.391 175.107 176.300 0.332 0.000 1.001 166 R CA -0.696 55.668 56.100 0.440 0.000 0.896 166 R CB 2.107 32.573 30.300 0.277 0.000 1.218 166 R HN -0.005 nan 8.270 nan 0.000 0.462 167 L N 0.227 121.531 121.223 0.134 0.000 2.354 167 L HA 0.570 4.909 4.340 -0.001 0.000 0.264 167 L C -0.330 176.565 176.870 0.041 0.000 1.008 167 L CA -0.825 53.979 54.840 -0.060 0.000 0.819 167 L CB 2.289 44.121 42.059 -0.378 0.000 1.339 167 L HN 0.486 nan 8.230 nan 0.000 0.420 168 S N 2.664 118.397 115.700 0.055 0.000 2.521 168 S HA 0.745 5.215 4.470 -0.001 0.000 0.295 168 S C -0.988 173.641 174.600 0.049 0.000 1.098 168 S CA -0.608 57.650 58.200 0.097 0.000 0.999 168 S CB 1.403 64.719 63.200 0.192 0.000 1.034 168 S HN 0.628 nan 8.310 nan 0.000 0.483 169 M N 4.646 124.269 119.600 0.039 0.000 2.259 169 M HA 0.578 5.058 4.480 -0.001 0.000 0.304 169 M C -0.037 176.288 176.300 0.041 0.000 1.019 169 M CA -0.526 54.786 55.300 0.021 0.000 0.922 169 M CB 1.367 33.952 32.600 -0.026 0.000 1.600 169 M HN 0.789 nan 8.290 nan 0.000 0.433 170 G N 2.988 111.826 108.800 0.064 0.000 2.378 170 G HA2 0.452 4.412 3.960 -0.001 0.000 0.255 170 G HA3 0.452 4.412 3.960 -0.001 0.000 0.255 170 G C 0.064 174.970 174.900 0.009 0.000 1.270 170 G CA -0.513 44.629 45.100 0.070 0.000 0.876 170 G HN 0.666 nan 8.290 nan 0.000 0.521 171 V N 1.889 121.768 119.914 -0.060 0.000 3.058 171 V HA 0.043 4.162 4.120 -0.001 0.000 0.233 171 V C 1.618 177.596 176.094 -0.194 0.000 1.255 171 V CA 1.163 63.349 62.300 -0.190 0.000 1.267 171 V CB 0.100 31.686 31.823 -0.394 0.000 1.049 171 V HN 0.801 nan 8.190 nan 0.000 0.486 172 Q N -0.153 119.551 119.800 -0.161 0.000 2.540 172 Q HA -0.245 4.095 4.340 -0.001 0.000 0.186 172 Q C 0.253 176.165 176.000 -0.146 0.000 2.876 172 Q CA 2.365 58.063 55.803 -0.175 0.000 0.213 172 Q CB -1.224 27.345 28.738 -0.281 0.000 0.199 172 Q HN 0.638 nan 8.270 nan 0.000 0.403 173 D N -1.970 118.317 120.400 -0.188 0.000 2.706 173 D HA 0.421 5.060 4.640 -0.001 0.000 0.225 173 D C -0.519 175.667 176.300 -0.190 0.000 1.241 173 D CA -0.445 53.459 54.000 -0.159 0.000 0.784 173 D CB 0.404 41.203 40.800 -0.001 0.000 1.521 173 D HN -0.050 nan 8.370 nan 0.000 0.461 174 F N 0.661 120.610 119.950 -0.002 0.000 2.615 174 F HA 0.125 4.651 4.527 -0.001 0.000 0.297 174 F C 1.544 177.383 175.800 0.064 0.000 1.124 174 F CA -0.072 57.952 58.000 0.039 0.000 1.451 174 F CB -0.198 38.824 39.000 0.038 0.000 1.103 174 F HN 0.245 nan 8.300 nan 0.000 0.569 175 N N 1.829 120.664 118.700 0.224 0.000 2.440 175 N HA -0.086 4.654 4.740 -0.001 0.000 0.265 175 N C 1.069 176.650 175.510 0.119 0.000 1.239 175 N CA 0.222 53.370 53.050 0.163 0.000 0.909 175 N CB 0.734 39.296 38.487 0.124 0.000 1.066 175 N HN 0.012 nan 8.380 nan 0.000 0.474 176 K N 3.366 123.828 120.400 0.103 0.000 2.097 176 K HA -0.161 4.158 4.320 -0.001 0.000 0.205 176 K C 1.442 178.075 176.600 0.055 0.000 1.050 176 K CA 0.975 57.309 56.287 0.078 0.000 0.938 176 K CB -0.128 32.409 32.500 0.062 0.000 0.718 176 K HN 0.722 nan 8.250 nan 0.000 0.442 177 E N 0.925 121.152 120.200 0.045 0.000 2.051 177 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 177 E C 1.911 178.538 176.600 0.044 0.000 0.991 177 E CA 1.007 57.430 56.400 0.037 0.000 0.799 177 E CB 0.172 29.888 29.700 0.027 0.000 0.748 177 E HN -0.055 nan 8.360 nan 0.000 0.449 178 V N 1.353 121.296 119.914 0.050 0.000 2.287 178 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 178 V C 2.469 178.591 176.094 0.047 0.000 1.053 178 V CA 2.208 64.537 62.300 0.047 0.000 1.027 178 V CB -0.683 31.171 31.823 0.051 0.000 0.646 178 V HN 0.349 nan 8.190 nan 0.000 0.447 179 Q N -0.441 119.390 119.800 0.052 0.000 2.061 179 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 179 Q C 2.535 178.548 176.000 0.022 0.000 0.984 179 Q CA 1.937 57.768 55.803 0.047 0.000 0.846 179 Q CB -0.308 28.465 28.738 0.059 0.000 0.902 179 Q HN 0.521 nan 8.270 nan 0.000 0.421 180 R N 0.744 121.261 120.500 0.028 0.000 2.092 180 R HA -0.092 4.248 4.340 -0.001 0.000 0.231 180 R C 2.113 178.434 176.300 0.036 0.000 1.119 180 R CA 0.826 56.938 56.100 0.020 0.000 0.970 180 R CB -0.110 30.210 30.300 0.032 0.000 0.864 180 R HN 0.254 nan 8.270 nan 0.000 0.440 181 L N 0.780 122.040 121.223 0.061 0.000 2.275 181 L HA -0.081 4.258 4.340 -0.001 0.000 0.215 181 L C 1.846 178.815 176.870 0.166 0.000 1.119 181 L CA 0.669 55.577 54.840 0.113 0.000 0.790 181 L CB 0.057 42.170 42.059 0.090 0.000 0.919 181 L HN 0.171 nan 8.230 nan 0.000 0.443 182 V N -4.834 115.114 119.914 0.056 0.000 3.319 182 V HA 0.301 4.420 4.120 -0.001 0.000 0.317 182 V C 0.724 176.559 176.094 -0.432 0.000 1.411 182 V CA -0.142 62.160 62.300 0.003 0.000 1.112 182 V CB -0.288 31.667 31.823 0.221 0.000 1.031 182 V HN 0.546 nan 8.190 nan 0.000 0.448 183 N N 1.864 120.275 118.700 -0.483 0.000 2.740 183 N HA -0.253 4.486 4.740 -0.001 0.000 0.248 183 N C 0.341 175.682 175.510 -0.280 0.000 1.062 183 N CA 1.251 53.976 53.050 -0.541 0.000 0.704 183 N CB -1.191 36.588 38.487 -1.180 0.000 0.968 183 N HN 0.804 nan 8.380 nan 0.000 0.547 184 R N 0.483 120.920 120.500 -0.105 0.000 2.772 184 R HA 0.114 4.454 4.340 -0.001 0.000 0.358 184 R C -0.521 175.795 176.300 0.028 0.000 1.143 184 R CA -0.545 55.553 56.100 -0.003 0.000 1.153 184 R CB 0.232 30.602 30.300 0.118 0.000 1.329 184 R HN 0.281 nan 8.270 nan 0.000 0.615 185 E N 2.279 122.483 120.200 0.006 0.000 2.465 185 E HA -0.093 4.257 4.350 -0.001 0.000 0.260 185 E C -0.888 175.743 176.600 0.051 0.000 0.980 185 E CA 0.760 57.179 56.400 0.031 0.000 0.927 185 E CB 0.537 30.245 29.700 0.014 0.000 0.934 185 E HN 0.427 nan 8.360 nan 0.000 0.459 186 Q N 2.783 122.634 119.800 0.085 0.000 2.435 186 Q HA 0.338 4.678 4.340 -0.001 0.000 0.282 186 Q C -1.343 174.750 176.000 0.155 0.000 1.020 186 Q CA -1.076 54.797 55.803 0.116 0.000 0.820 186 Q CB 1.256 30.076 28.738 0.137 0.000 1.436 186 Q HN 0.438 nan 8.270 nan 0.000 0.395 187 D N 1.239 121.744 120.400 0.175 0.000 2.313 187 D HA 0.039 4.678 4.640 -0.001 0.000 0.239 187 D C 0.382 176.847 176.300 0.274 0.000 1.142 187 D CA 0.056 54.167 54.000 0.185 0.000 0.847 187 D CB 1.491 42.380 40.800 0.150 0.000 1.082 187 D HN 0.807 nan 8.370 nan 0.000 0.480 188 E N 3.088 123.430 120.200 0.237 0.000 2.110 188 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 188 E C 0.970 177.718 176.600 0.246 0.000 0.988 188 E CA 0.981 57.544 56.400 0.271 0.000 0.804 188 E CB 0.359 30.089 29.700 0.051 0.000 0.745 188 E HN 0.466 nan 8.360 nan 0.000 0.458 189 E N -0.016 120.264 120.200 0.134 0.000 2.110 189 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 189 E C 1.816 178.547 176.600 0.218 0.000 0.988 189 E CA 0.731 57.193 56.400 0.104 0.000 0.804 189 E CB -0.335 29.394 29.700 0.048 0.000 0.745 189 E HN 0.343 nan 8.360 nan 0.000 0.458 190 F N 1.270 121.293 119.950 0.121 0.000 2.206 190 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 190 F C 2.145 178.039 175.800 0.156 0.000 1.090 190 F CA 0.709 58.777 58.000 0.115 0.000 1.323 190 F CB -0.143 38.905 39.000 0.080 0.000 1.028 190 F HN -0.116 nan 8.300 nan 0.000 0.492 191 I N -0.859 119.844 120.570 0.222 0.000 2.163 191 I HA -0.350 3.820 4.170 -0.001 0.000 0.243 191 I C 2.189 178.333 176.117 0.046 0.000 1.085 191 I CA 1.440 62.823 61.300 0.139 0.000 1.347 191 I CB -0.615 37.582 38.000 0.329 0.000 1.044 191 I HN 0.043 nan 8.210 nan 0.000 0.408 192 F N 0.840 120.787 119.950 -0.004 0.000 2.134 192 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 192 F C 2.591 178.344 175.800 -0.078 0.000 1.097 192 F CA 1.510 59.492 58.000 -0.030 0.000 1.264 192 F CB -0.839 38.136 39.000 -0.042 0.000 1.001 192 F HN 0.007 nan 8.300 nan 0.000 0.479 193 A N -0.368 122.483 122.820 0.051 0.000 1.902 193 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 193 A C 2.122 179.613 177.584 -0.155 0.000 1.181 193 A CA 1.623 53.621 52.037 -0.065 0.000 0.623 193 A CB -1.092 17.840 19.000 -0.114 0.000 0.818 193 A HN 0.335 nan 8.150 nan 0.000 0.443 194 L N -0.725 120.288 121.223 -0.350 0.000 2.027 194 L HA -0.059 4.281 4.340 -0.001 0.000 0.206 194 L C 2.361 179.153 176.870 -0.129 0.000 1.074 194 L CA 1.945 56.600 54.840 -0.308 0.000 0.745 194 L CB -0.458 41.325 42.059 -0.460 0.000 0.898 194 L HN 0.464 nan 8.230 nan 0.000 0.433 195 L N -0.668 120.476 121.223 -0.132 0.000 2.056 195 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 195 L C 2.402 179.243 176.870 -0.048 0.000 1.078 195 L CA 1.637 56.412 54.840 -0.107 0.000 0.749 195 L CB -0.600 41.372 42.059 -0.146 0.000 0.901 195 L HN 0.499 nan 8.230 nan 0.000 0.433 196 N N -0.879 117.811 118.700 -0.017 0.000 2.061 196 N HA -0.348 4.391 4.740 -0.001 0.000 0.193 196 N C 2.004 177.565 175.510 0.085 0.000 1.030 196 N CA 1.950 55.025 53.050 0.041 0.000 0.856 196 N CB -0.155 38.374 38.487 0.071 0.000 1.023 196 N HN 0.491 nan 8.380 nan 0.000 0.424 197 H N 0.579 119.641 119.070 -0.013 0.000 2.353 197 H HA 0.053 4.608 4.556 -0.001 0.000 0.300 197 H C 1.986 177.354 175.328 0.066 0.000 1.090 197 H CA 1.934 57.992 56.048 0.016 0.000 1.327 197 H CB -0.525 29.233 29.762 -0.007 0.000 1.383 197 H HN 0.373 nan 8.280 nan 0.000 0.508 198 A N 0.942 123.746 122.820 -0.026 0.000 1.883 198 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 198 A C 2.503 180.171 177.584 0.140 0.000 1.186 198 A CA 1.837 53.881 52.037 0.013 0.000 0.624 198 A CB -0.735 18.160 19.000 -0.173 0.000 0.822 198 A HN 0.505 nan 8.150 nan 0.000 0.444 199 R N 0.274 120.816 120.500 0.070 0.000 2.073 199 R HA -0.201 4.138 4.340 -0.001 0.000 0.234 199 R C 2.274 178.605 176.300 0.050 0.000 1.134 199 R CA 1.881 58.026 56.100 0.075 0.000 0.952 199 R CB -0.368 29.960 30.300 0.048 0.000 0.850 199 R HN 0.820 nan 8.270 nan 0.000 0.433 200 E N 1.042 121.262 120.200 0.032 0.000 2.204 200 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 200 E C 1.726 178.319 176.600 -0.012 0.000 0.990 200 E CA 1.504 57.919 56.400 0.026 0.000 0.821 200 E CB -0.439 29.305 29.700 0.073 0.000 0.750 200 E HN 0.699 nan 8.360 nan 0.000 0.477 201 I N -3.455 117.077 120.570 -0.064 0.000 3.861 201 I HA 0.489 4.659 4.170 -0.001 0.000 0.329 201 I C 1.119 177.184 176.117 -0.086 0.000 1.321 201 I CA 0.312 61.563 61.300 -0.083 0.000 1.126 201 I CB 0.516 38.421 38.000 -0.158 0.000 1.018 201 I HN 0.217 nan 8.210 nan 0.000 0.407 202 G N 1.088 109.866 108.800 -0.037 0.000 2.179 202 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 202 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 202 G C -0.075 174.769 174.900 -0.093 0.000 0.990 202 G CA -0.509 44.547 45.100 -0.073 0.000 0.646 202 G HN 0.326 nan 8.290 nan 0.000 0.517 203 F N 2.521 122.456 119.950 -0.025 0.000 2.572 203 F HA 0.476 5.002 4.527 -0.001 0.000 0.370 203 F C 1.462 177.269 175.800 0.012 0.000 1.103 203 F CA 1.276 59.275 58.000 -0.001 0.000 1.286 203 F CB 1.005 40.002 39.000 -0.005 0.000 1.105 203 F HN 0.224 nan 8.300 nan 0.000 0.583 204 T N -1.168 113.514 114.554 0.214 0.000 2.907 204 T HA 0.432 4.782 4.350 -0.001 0.000 0.290 204 T C 0.285 175.084 174.700 0.164 0.000 1.066 204 T CA -0.675 61.512 62.100 0.145 0.000 1.012 204 T CB 1.541 70.462 68.868 0.089 0.000 1.184 204 T HN 0.610 nan 8.240 nan 0.000 0.522 205 S N 0.461 116.242 115.700 0.135 0.000 3.614 205 S HA -0.160 4.309 4.470 -0.001 0.000 0.360 205 S C 0.322 175.018 174.600 0.159 0.000 1.023 205 S CA 0.710 58.997 58.200 0.146 0.000 1.114 205 S CB -1.838 61.452 63.200 0.151 0.000 0.907 205 S HN 1.038 nan 8.310 nan 0.000 0.470 206 T N 3.236 117.871 114.554 0.134 0.000 2.853 206 T HA 0.156 4.505 4.350 -0.001 0.000 0.298 206 T C 0.165 174.923 174.700 0.097 0.000 0.978 206 T CA -0.077 62.082 62.100 0.097 0.000 1.152 206 T CB 0.430 69.326 68.868 0.048 0.000 0.914 206 T HN 0.549 nan 8.240 nan 0.000 0.539 207 N N 3.357 122.121 118.700 0.108 0.000 2.405 207 N HA 0.442 5.181 4.740 -0.001 0.000 0.299 207 N C -0.644 174.906 175.510 0.067 0.000 1.075 207 N CA -0.645 52.480 53.050 0.125 0.000 0.884 207 N CB 1.084 39.700 38.487 0.215 0.000 1.194 207 N HN 0.656 nan 8.380 nan 0.000 0.491 208 I N -0.125 120.462 120.570 0.030 0.000 2.493 208 I HA 0.503 4.672 4.170 -0.001 0.000 0.298 208 I C -1.006 175.119 176.117 0.013 0.000 0.998 208 I CA -0.850 60.450 61.300 -0.001 0.000 1.137 208 I CB 1.707 39.667 38.000 -0.067 0.000 1.310 208 I HN 0.190 nan 8.210 nan 0.000 0.445 209 D N 7.156 127.584 120.400 0.046 0.000 2.225 209 D HA 0.595 5.235 4.640 -0.001 0.000 0.248 209 D C -0.437 175.870 176.300 0.011 0.000 1.096 209 D CA 0.100 54.148 54.000 0.079 0.000 0.863 209 D CB 2.143 43.101 40.800 0.262 0.000 1.156 209 D HN 0.475 nan 8.370 nan 0.000 0.450 210 L N 1.770 122.994 121.223 0.002 0.000 2.341 210 L HA 0.593 4.933 4.340 -0.001 0.000 0.267 210 L C -0.224 176.726 176.870 0.134 0.000 1.009 210 L CA -0.971 53.895 54.840 0.044 0.000 0.819 210 L CB 1.955 44.070 42.059 0.093 0.000 1.323 210 L HN 0.141 nan 8.230 nan 0.000 0.425 211 I N 1.424 122.067 120.570 0.121 0.000 2.498 211 I HA 0.331 4.501 4.170 -0.001 0.000 0.290 211 I C -1.155 175.015 176.117 0.087 0.000 1.032 211 I CA -0.791 60.558 61.300 0.082 0.000 1.073 211 I CB 1.839 39.765 38.000 -0.123 0.000 1.251 211 I HN 0.443 nan 8.210 nan 0.000 0.426 212 Y N 2.964 123.192 120.300 -0.120 0.000 2.446 212 Y HA 0.814 5.364 4.550 -0.001 0.000 0.338 212 Y C 0.726 176.562 175.900 -0.105 0.000 1.055 212 Y CA -0.939 56.951 58.100 -0.349 0.000 1.101 212 Y CB 1.764 39.772 38.460 -0.754 0.000 1.221 212 Y HN 0.804 nan 8.280 nan 0.000 0.460 213 G N 2.115 110.876 108.800 -0.066 0.000 2.163 213 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.213 213 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.213 213 G C -0.358 174.547 174.900 0.007 0.000 0.991 213 G CA -0.160 44.937 45.100 -0.005 0.000 0.653 213 G HN 0.786 nan 8.290 nan 0.000 0.518 214 L N 1.926 123.085 121.223 -0.107 0.000 2.464 214 L HA 0.360 4.699 4.340 -0.001 0.000 0.264 214 L C -1.271 175.541 176.870 -0.095 0.000 1.199 214 L CA -1.911 52.791 54.840 -0.230 0.000 0.818 214 L CB 0.290 42.219 42.059 -0.215 0.000 1.102 214 L HN -0.042 nan 8.230 nan 0.000 0.473 215 P HA -0.042 nan 4.420 nan 0.000 0.265 215 P C -0.404 176.900 177.300 0.005 0.000 1.193 215 P CA 0.095 63.181 63.100 -0.024 0.000 0.765 215 P CB 0.567 32.266 31.700 -0.003 0.000 0.823 216 K N -0.666 119.744 120.400 0.016 0.000 3.529 216 K HA -0.196 4.124 4.320 -0.001 0.000 0.313 216 K C 0.214 176.838 176.600 0.041 0.000 1.316 216 K CA 1.036 57.340 56.287 0.027 0.000 0.988 216 K CB -1.925 30.592 32.500 0.028 0.000 1.252 216 K HN 0.674 nan 8.250 nan 0.000 0.438 217 Q N 1.034 120.864 119.800 0.050 0.000 2.352 217 Q HA 0.250 4.590 4.340 -0.001 0.000 0.260 217 Q C 0.778 176.821 176.000 0.072 0.000 0.976 217 Q CA 0.600 56.456 55.803 0.088 0.000 0.881 217 Q CB 0.911 29.714 28.738 0.109 0.000 1.235 217 Q HN 0.381 nan 8.270 nan 0.000 0.419 218 T N -1.484 113.121 114.554 0.085 0.000 2.887 218 T HA 0.364 4.713 4.350 -0.001 0.000 0.292 218 T C -2.304 172.443 174.700 0.078 0.000 1.087 218 T CA -2.157 59.980 62.100 0.061 0.000 1.009 218 T CB 1.411 70.304 68.868 0.040 0.000 1.203 218 T HN 0.135 nan 8.240 nan 0.000 0.518 219 P HA -0.148 nan 4.420 nan 0.000 0.216 219 P C 1.101 178.433 177.300 0.054 0.000 1.154 219 P CA 1.458 64.578 63.100 0.034 0.000 0.865 219 P CB 0.035 31.732 31.700 -0.005 0.000 0.789 220 E N -0.368 119.855 120.200 0.040 0.000 2.031 220 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 220 E C 2.251 178.890 176.600 0.066 0.000 0.994 220 E CA 1.911 58.331 56.400 0.033 0.000 0.800 220 E CB -1.106 28.597 29.700 0.006 0.000 0.752 220 E HN 0.302 nan 8.360 nan 0.000 0.447 221 S N 0.146 115.891 115.700 0.076 0.000 2.368 221 S HA -0.191 4.278 4.470 -0.001 0.000 0.225 221 S C 2.005 176.704 174.600 0.166 0.000 1.030 221 S CA 0.884 59.147 58.200 0.105 0.000 0.999 221 S CB -0.541 62.714 63.200 0.090 0.000 0.844 221 S HN 0.267 nan 8.310 nan 0.000 0.459 222 F N 2.505 122.468 119.950 0.022 0.000 2.259 222 F HA 0.248 4.774 4.527 -0.001 0.000 0.298 222 F C 2.574 178.336 175.800 -0.064 0.000 1.088 222 F CA 0.498 58.495 58.000 -0.005 0.000 1.358 222 F CB -0.700 38.285 39.000 -0.025 0.000 1.040 222 F HN 0.320 nan 8.300 nan 0.000 0.505 223 A N -0.294 122.535 122.820 0.014 0.000 1.902 223 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 223 A C 2.107 179.549 177.584 -0.236 0.000 1.181 223 A CA 1.594 53.525 52.037 -0.176 0.000 0.623 223 A CB -1.491 17.435 19.000 -0.123 0.000 0.818 223 A HN 0.453 nan 8.150 nan 0.000 0.443 224 F N 1.229 121.055 119.950 -0.206 0.000 2.134 224 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 224 F C 2.566 178.262 175.800 -0.173 0.000 1.097 224 F CA 2.233 60.132 58.000 -0.169 0.000 1.264 224 F CB -0.635 38.308 39.000 -0.096 0.000 1.001 224 F HN 0.209 nan 8.300 nan 0.000 0.479 225 T N 1.300 115.801 114.554 -0.088 0.000 2.665 225 T HA -0.226 4.124 4.350 -0.001 0.000 0.268 225 T C 2.174 176.711 174.700 -0.271 0.000 1.035 225 T CA 1.850 63.855 62.100 -0.159 0.000 1.151 225 T CB -0.545 68.107 68.868 -0.360 0.000 0.862 225 T HN 0.230 nan 8.240 nan 0.000 0.438 226 L N 0.347 121.291 121.223 -0.465 0.000 2.093 226 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 226 L C 2.796 179.494 176.870 -0.286 0.000 1.085 226 L CA 1.101 55.699 54.840 -0.403 0.000 0.755 226 L CB -0.425 41.304 42.059 -0.549 0.000 0.904 226 L HN 0.165 nan 8.230 nan 0.000 0.435 227 K N -0.044 120.079 120.400 -0.462 0.000 2.063 227 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 227 K C 2.227 178.742 176.600 -0.142 0.000 1.048 227 K CA 1.177 57.310 56.287 -0.256 0.000 0.928 227 K CB -0.186 32.084 32.500 -0.383 0.000 0.713 227 K HN 0.298 nan 8.250 nan 0.000 0.442 228 R N 0.559 120.913 120.500 -0.242 0.000 2.070 228 R HA -0.083 4.256 4.340 -0.001 0.000 0.233 228 R C 2.398 178.757 176.300 0.099 0.000 1.137 228 R CA 1.037 57.054 56.100 -0.139 0.000 0.945 228 R CB -0.888 29.203 30.300 -0.348 0.000 0.845 228 R HN 0.011 nan 8.270 nan 0.000 0.430 229 V N 1.448 121.453 119.914 0.151 0.000 2.370 229 V HA -0.296 3.824 4.120 -0.001 0.000 0.252 229 V C 2.533 178.693 176.094 0.109 0.000 1.068 229 V CA 2.020 64.409 62.300 0.148 0.000 1.061 229 V CB -0.838 31.006 31.823 0.035 0.000 0.656 229 V HN 0.398 nan 8.190 nan 0.000 0.455 230 A N -0.791 122.127 122.820 0.164 0.000 1.930 230 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 230 A C 2.196 179.851 177.584 0.118 0.000 1.175 230 A CA 1.542 53.686 52.037 0.178 0.000 0.627 230 A CB -0.412 18.733 19.000 0.241 0.000 0.815 230 A HN 0.601 nan 8.150 nan 0.000 0.443 231 E N -0.780 119.494 120.200 0.124 0.000 2.110 231 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 231 E C 1.857 178.562 176.600 0.175 0.000 0.988 231 E CA 1.232 57.729 56.400 0.162 0.000 0.804 231 E CB -0.206 29.618 29.700 0.206 0.000 0.745 231 E HN 0.529 nan 8.360 nan 0.000 0.458 232 L N 1.318 122.552 121.223 0.018 0.000 2.156 232 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 232 L C 0.336 177.122 176.870 -0.139 0.000 1.095 232 L CA 1.018 55.640 54.840 -0.363 0.000 0.770 232 L CB -0.348 41.364 42.059 -0.578 0.000 0.914 232 L HN 0.090 nan 8.230 nan 0.000 0.439 233 N N -0.492 118.206 118.700 -0.002 0.000 2.671 233 N HA -0.129 4.611 4.740 -0.001 0.000 0.261 233 N C -2.402 173.152 175.510 0.073 0.000 1.053 233 N CA 0.665 53.758 53.050 0.071 0.000 0.732 233 N CB -0.872 37.639 38.487 0.040 0.000 0.887 233 N HN 0.328 nan 8.380 nan 0.000 0.546 234 P HA 0.167 nan 4.420 nan 0.000 0.272 234 P C 0.197 177.608 177.300 0.185 0.000 1.230 234 P CA -0.126 63.013 63.100 0.066 0.000 0.788 234 P CB 0.672 32.365 31.700 -0.012 0.000 0.949 235 D N 0.524 121.012 120.400 0.148 0.000 2.194 235 D HA -0.011 4.628 4.640 -0.001 0.000 0.204 235 D C 0.692 177.133 176.300 0.235 0.000 0.964 235 D CA 1.326 55.439 54.000 0.189 0.000 0.846 235 D CB 0.374 41.253 40.800 0.131 0.000 0.962 235 D HN 0.394 nan 8.370 nan 0.000 0.490 236 R N -0.468 120.110 120.500 0.129 0.000 2.740 236 R HA 0.628 4.968 4.340 -0.001 0.000 0.273 236 R C -1.242 175.026 176.300 -0.053 0.000 0.998 236 R CA -0.768 55.354 56.100 0.036 0.000 0.900 236 R CB 1.988 32.360 30.300 0.120 0.000 1.223 236 R HN -0.157 nan 8.270 nan 0.000 0.466 237 L N 0.349 121.495 121.223 -0.130 0.000 2.401 237 L HA 0.488 4.827 4.340 -0.001 0.000 0.266 237 L C -0.671 176.271 176.870 0.120 0.000 0.991 237 L CA -0.414 54.379 54.840 -0.079 0.000 0.818 237 L CB 2.465 44.363 42.059 -0.269 0.000 1.321 237 L HN 0.520 nan 8.230 nan 0.000 0.413 238 S N 1.359 117.101 115.700 0.069 0.000 2.596 238 S HA 0.683 5.153 4.470 -0.001 0.000 0.318 238 S C -0.641 173.723 174.600 -0.393 0.000 1.097 238 S CA -0.596 57.544 58.200 -0.099 0.000 1.080 238 S CB 1.643 64.711 63.200 -0.220 0.000 0.991 238 S HN 0.260 nan 8.310 nan 0.000 0.471 239 V N 4.782 124.552 119.914 -0.240 0.000 2.284 239 V HA 0.434 4.553 4.120 -0.001 0.000 0.274 239 V C -1.041 175.065 176.094 0.020 0.000 1.023 239 V CA -0.590 61.687 62.300 -0.039 0.000 0.808 239 V CB -0.276 31.645 31.823 0.164 0.000 1.035 239 V HN 0.725 nan 8.190 nan 0.000 0.445 240 F N 2.298 122.389 119.950 0.236 0.000 2.385 240 F HA 0.422 4.948 4.527 -0.001 0.000 0.336 240 F C 0.752 176.507 175.800 -0.076 0.000 1.100 240 F CA -0.895 57.182 58.000 0.128 0.000 1.116 240 F CB 0.729 39.768 39.000 0.065 0.000 1.166 240 F HN 0.425 nan 8.300 nan 0.000 0.511 241 N N 1.713 120.412 118.700 -0.001 0.000 2.497 241 N HA -0.015 4.724 4.740 -0.001 0.000 0.271 241 N C -1.003 174.406 175.510 -0.169 0.000 1.142 241 N CA -0.277 52.455 53.050 -0.529 0.000 0.965 241 N CB 0.185 38.521 38.487 -0.250 0.000 1.077 241 N HN 0.440 nan 8.380 nan 0.000 0.462 242 Y N 3.501 123.608 120.300 -0.322 0.000 2.650 242 Y HA 0.287 4.837 4.550 -0.001 0.000 0.331 242 Y C -0.291 175.590 175.900 -0.031 0.000 1.165 242 Y CA -1.084 56.944 58.100 -0.121 0.000 1.473 242 Y CB -0.146 38.255 38.460 -0.099 0.000 1.224 242 Y HN 0.569 nan 8.280 nan 0.000 0.533 243 A N 6.404 128.998 122.820 -0.377 0.000 2.260 243 A HA 0.322 4.642 4.320 -0.001 0.000 0.312 243 A C -1.361 175.855 177.584 -0.615 0.000 1.321 243 A CA -0.530 51.285 52.037 -0.369 0.000 0.928 243 A CB -0.347 18.570 19.000 -0.138 0.000 1.158 243 A HN 0.876 nan 8.150 nan 0.000 0.542 244 H N 2.524 121.207 119.070 -0.645 0.000 2.581 244 H HA 0.591 5.147 4.556 -0.001 0.000 0.308 244 H C -1.285 173.988 175.328 -0.092 0.000 1.040 244 H CA -0.721 55.046 56.048 -0.469 0.000 1.231 244 H CB 1.136 30.700 29.762 -0.330 0.000 1.396 244 H HN 0.446 nan 8.280 nan 0.000 0.467 245 L N 9.108 130.208 121.223 -0.204 0.000 2.448 245 L HA 0.337 4.676 4.340 -0.001 0.000 0.257 245 L C -2.244 174.502 176.870 -0.207 0.000 1.504 245 L CA -1.428 53.306 54.840 -0.177 0.000 0.852 245 L CB 1.567 43.578 42.059 -0.080 0.000 1.051 245 L HN 0.514 nan 8.230 nan 0.000 0.518 246 P HA -0.100 nan 4.420 nan 0.000 0.225 246 P C 1.183 178.400 177.300 -0.138 0.000 1.148 246 P CA 1.323 64.316 63.100 -0.179 0.000 0.779 246 P CB -0.058 31.529 31.700 -0.189 0.000 0.780 247 T N -1.051 113.403 114.554 -0.167 0.000 2.788 247 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 247 T C 1.844 176.419 174.700 -0.208 0.000 1.044 247 T CA 1.382 63.390 62.100 -0.153 0.000 1.139 247 T CB -1.124 67.661 68.868 -0.138 0.000 0.867 247 T HN 0.329 nan 8.240 nan 0.000 0.454 248 I N -3.442 116.915 120.570 -0.354 0.000 4.139 248 I HA 0.486 4.655 4.170 -0.001 0.000 0.335 248 I C -0.701 174.984 176.117 -0.720 0.000 1.327 248 I CA -0.772 60.208 61.300 -0.532 0.000 1.112 248 I CB 0.393 37.992 38.000 -0.668 0.000 1.058 248 I HN -0.077 nan 8.210 nan 0.000 0.396 249 F N 1.725 121.634 119.950 -0.068 0.000 2.532 249 F HA 0.682 5.208 4.527 -0.001 0.000 0.365 249 F C 1.262 177.036 175.800 -0.042 0.000 1.112 249 F CA -0.985 56.988 58.000 -0.046 0.000 1.082 249 F CB 1.401 40.385 39.000 -0.027 0.000 1.319 249 F HN -0.060 nan 8.300 nan 0.000 0.457 250 A N 2.299 125.174 122.820 0.093 0.000 1.972 250 A HA 0.042 4.361 4.320 -0.001 0.000 0.219 250 A C 2.301 179.900 177.584 0.026 0.000 1.169 250 A CA 1.747 53.800 52.037 0.026 0.000 0.635 250 A CB -0.594 18.406 19.000 -0.000 0.000 0.810 250 A HN 0.734 nan 8.150 nan 0.000 0.446 251 A N -0.470 122.384 122.820 0.057 0.000 2.019 251 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 251 A C 1.975 179.576 177.584 0.028 0.000 1.164 251 A CA 1.438 53.487 52.037 0.020 0.000 0.644 251 A CB -0.505 18.558 19.000 0.104 0.000 0.805 251 A HN 0.673 nan 8.150 nan 0.000 0.449 252 Q N -0.537 119.343 119.800 0.133 0.000 2.437 252 Q HA -0.111 4.229 4.340 -0.001 0.000 0.210 252 Q C 1.857 177.956 176.000 0.164 0.000 0.972 252 Q CA 0.866 56.804 55.803 0.226 0.000 0.903 252 Q CB -0.152 28.759 28.738 0.288 0.000 0.967 252 Q HN 0.661 nan 8.270 nan 0.000 0.486 253 R N 0.488 121.014 120.500 0.043 0.000 2.193 253 R HA -0.067 4.273 4.340 -0.001 0.000 0.229 253 R C 1.814 178.099 176.300 -0.025 0.000 1.110 253 R CA 0.614 56.722 56.100 0.015 0.000 0.988 253 R CB -0.020 30.266 30.300 -0.023 0.000 0.871 253 R HN 0.062 nan 8.270 nan 0.000 0.458 254 K N 0.901 121.219 120.400 -0.138 0.000 2.147 254 K HA -0.037 4.282 4.320 -0.001 0.000 0.205 254 K C 1.008 177.584 176.600 -0.040 0.000 1.049 254 K CA 0.798 56.937 56.287 -0.248 0.000 0.936 254 K CB -0.155 31.830 32.500 -0.858 0.000 0.722 254 K HN 0.222 nan 8.250 nan 0.000 0.446 255 I N 2.972 123.594 120.570 0.086 0.000 2.496 255 I HA -0.034 4.135 4.170 -0.001 0.000 0.285 255 I C 0.350 176.542 176.117 0.125 0.000 1.080 255 I CA -0.204 61.187 61.300 0.151 0.000 1.404 255 I CB 0.593 38.736 38.000 0.238 0.000 1.403 255 I HN -0.195 nan 8.210 nan 0.000 0.539 256 K N 5.562 126.008 120.400 0.078 0.000 2.262 256 K HA 0.150 4.469 4.320 -0.001 0.000 0.282 256 K C 0.153 176.777 176.600 0.039 0.000 1.066 256 K CA -0.344 55.980 56.287 0.061 0.000 0.901 256 K CB 0.941 33.468 32.500 0.046 0.000 1.089 256 K HN 0.441 nan 8.250 nan 0.000 0.476 257 D N 2.257 122.691 120.400 0.057 0.000 2.158 257 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 257 D C 1.542 177.850 176.300 0.014 0.000 0.995 257 D CA 1.704 55.719 54.000 0.025 0.000 0.846 257 D CB 0.115 40.967 40.800 0.088 0.000 0.941 257 D HN 0.675 nan 8.370 nan 0.000 0.456 258 A N 0.450 123.286 122.820 0.026 0.000 2.070 258 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 258 A C 1.446 179.040 177.584 0.018 0.000 1.159 258 A CA 1.305 53.356 52.037 0.023 0.000 0.656 258 A CB -0.147 18.868 19.000 0.025 0.000 0.800 258 A HN 0.048 nan 8.150 nan 0.000 0.453 259 D N -0.346 120.063 120.400 0.015 0.000 2.347 259 D HA 0.106 4.745 4.640 -0.001 0.000 0.213 259 D C 0.575 176.879 176.300 0.007 0.000 0.985 259 D CA 0.185 54.194 54.000 0.014 0.000 0.879 259 D CB -0.123 40.688 40.800 0.018 0.000 0.919 259 D HN 0.409 nan 8.370 nan 0.000 0.526 260 L N 2.468 123.688 121.223 -0.004 0.000 2.461 260 L HA 0.168 4.507 4.340 -0.001 0.000 0.272 260 L C -1.865 175.016 176.870 0.019 0.000 1.197 260 L CA -1.572 53.267 54.840 -0.001 0.000 0.836 260 L CB -0.081 41.965 42.059 -0.021 0.000 1.105 260 L HN -0.177 nan 8.230 nan 0.000 0.477 261 P HA 0.042 nan 4.420 nan 0.000 0.269 261 P C -0.420 176.907 177.300 0.045 0.000 1.209 261 P CA -0.454 62.670 63.100 0.039 0.000 0.776 261 P CB 0.721 32.450 31.700 0.048 0.000 0.876 262 S N 2.517 118.243 115.700 0.044 0.000 2.576 262 S HA 0.113 4.583 4.470 -0.001 0.000 0.272 262 S C -1.619 173.017 174.600 0.061 0.000 1.352 262 S CA -0.637 57.592 58.200 0.047 0.000 1.021 262 S CB -0.379 62.846 63.200 0.041 0.000 0.887 262 S HN 0.257 nan 8.310 nan 0.000 0.542 263 P HA -0.176 nan 4.420 nan 0.000 0.216 263 P C 1.561 178.918 177.300 0.096 0.000 1.150 263 P CA 1.704 64.853 63.100 0.082 0.000 0.837 263 P CB -0.139 31.603 31.700 0.071 0.000 0.786 264 Q N 0.018 119.866 119.800 0.080 0.000 2.045 264 Q HA -0.242 4.097 4.340 -0.001 0.000 0.206 264 Q C 2.186 178.231 176.000 0.074 0.000 0.991 264 Q CA 1.624 57.476 55.803 0.082 0.000 0.851 264 Q CB -1.453 27.322 28.738 0.061 0.000 0.911 264 Q HN 0.288 nan 8.270 nan 0.000 0.418 265 Q N 0.637 120.473 119.800 0.060 0.000 2.096 265 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 265 Q C 2.179 178.212 176.000 0.054 0.000 0.982 265 Q CA 1.438 57.268 55.803 0.045 0.000 0.850 265 Q CB -0.109 28.654 28.738 0.041 0.000 0.901 265 Q HN 0.365 nan 8.270 nan 0.000 0.422 266 K N 0.411 120.870 120.400 0.098 0.000 2.057 266 K HA -0.115 4.205 4.320 -0.001 0.000 0.207 266 K C 2.090 178.778 176.600 0.146 0.000 1.049 266 K CA 0.919 57.307 56.287 0.168 0.000 0.931 266 K CB -0.083 32.547 32.500 0.216 0.000 0.714 266 K HN 0.209 nan 8.250 nan 0.000 0.440 267 L N 0.872 122.193 121.223 0.164 0.000 2.046 267 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 267 L C 1.829 178.723 176.870 0.041 0.000 1.077 267 L CA 1.084 56.067 54.840 0.239 0.000 0.747 267 L CB -0.404 41.860 42.059 0.341 0.000 0.896 267 L HN 0.146 nan 8.230 nan 0.000 0.432 268 D N 0.204 120.591 120.400 -0.021 0.000 2.144 268 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 268 D C 2.288 178.471 176.300 -0.194 0.000 0.978 268 D CA 1.083 55.002 54.000 -0.134 0.000 0.833 268 D CB -0.041 40.718 40.800 -0.069 0.000 0.961 268 D HN 0.284 nan 8.370 nan 0.000 0.470 269 I N 0.383 120.853 120.570 -0.166 0.000 2.163 269 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 269 I C 2.290 178.156 176.117 -0.419 0.000 1.085 269 I CA 0.645 61.785 61.300 -0.266 0.000 1.347 269 I CB -0.101 37.708 38.000 -0.319 0.000 1.044 269 I HN 0.028 nan 8.210 nan 0.000 0.408 270 L N 0.545 121.488 121.223 -0.468 0.000 2.072 270 L HA -0.215 4.125 4.340 -0.001 0.000 0.205 270 L C 2.536 179.177 176.870 -0.382 0.000 1.079 270 L CA 1.794 56.341 54.840 -0.489 0.000 0.752 270 L CB -0.829 41.075 42.059 -0.258 0.000 0.906 270 L HN 0.258 nan 8.230 nan 0.000 0.436 271 Q N -0.216 119.205 119.800 -0.631 0.000 2.050 271 Q HA -0.279 4.060 4.340 -0.001 0.000 0.202 271 Q C 1.942 177.656 176.000 -0.477 0.000 0.980 271 Q CA 2.208 57.433 55.803 -0.964 0.000 0.840 271 Q CB -0.167 27.555 28.738 -1.694 0.000 0.898 271 Q HN 0.788 nan 8.270 nan 0.000 0.424 272 E N -0.595 119.397 120.200 -0.347 0.000 2.110 272 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 272 E C 1.830 178.378 176.600 -0.087 0.000 0.988 272 E CA 1.725 58.019 56.400 -0.177 0.000 0.804 272 E CB -0.536 29.085 29.700 -0.132 0.000 0.745 272 E HN 0.176 nan 8.360 nan 0.000 0.458 273 T N 1.088 115.568 114.554 -0.124 0.000 2.708 273 T HA -0.085 4.264 4.350 -0.001 0.000 0.266 273 T C 1.873 176.509 174.700 -0.107 0.000 1.037 273 T CA 1.509 63.559 62.100 -0.083 0.000 1.146 273 T CB -0.284 68.495 68.868 -0.149 0.000 0.865 273 T HN 0.145 nan 8.240 nan 0.000 0.435 274 I N 1.213 121.719 120.570 -0.108 0.000 2.179 274 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 274 I C 2.915 179.046 176.117 0.024 0.000 1.088 274 I CA 1.166 62.463 61.300 -0.004 0.000 1.357 274 I CB -0.490 37.494 38.000 -0.027 0.000 1.051 274 I HN 0.189 nan 8.210 nan 0.000 0.409 275 A N 0.508 123.322 122.820 -0.010 0.000 1.908 275 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 275 A C 2.246 179.859 177.584 0.049 0.000 1.181 275 A CA 1.709 53.755 52.037 0.015 0.000 0.627 275 A CB -0.989 18.003 19.000 -0.015 0.000 0.818 275 A HN 0.478 nan 8.150 nan 0.000 0.445 276 F N 0.343 120.248 119.950 -0.075 0.000 2.163 276 F HA -0.011 4.515 4.527 -0.001 0.000 0.297 276 F C 1.862 177.636 175.800 -0.043 0.000 1.094 276 F CA 1.303 59.266 58.000 -0.063 0.000 1.290 276 F CB -0.176 38.776 39.000 -0.080 0.000 1.017 276 F HN 0.119 nan 8.300 nan 0.000 0.483 277 L N -0.033 121.165 121.223 -0.041 0.000 2.083 277 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 277 L C 2.535 179.419 176.870 0.024 0.000 1.083 277 L CA 1.835 56.628 54.840 -0.078 0.000 0.752 277 L CB -1.278 40.572 42.059 -0.349 0.000 0.899 277 L HN 0.313 nan 8.230 nan 0.000 0.433 278 T N -3.607 110.964 114.554 0.028 0.000 2.904 278 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 278 T C 1.757 176.419 174.700 -0.064 0.000 1.059 278 T CA 0.943 63.063 62.100 0.034 0.000 1.137 278 T CB -0.210 68.696 68.868 0.063 0.000 0.879 278 T HN 0.330 nan 8.240 nan 0.000 0.467 279 Q N 1.114 120.836 119.800 -0.131 0.000 2.170 279 Q HA -0.064 4.275 4.340 -0.001 0.000 0.203 279 Q C 1.761 177.598 176.000 -0.272 0.000 0.976 279 Q CA 1.431 57.118 55.803 -0.193 0.000 0.858 279 Q CB -0.234 28.371 28.738 -0.222 0.000 0.907 279 Q HN 0.548 nan 8.270 nan 0.000 0.433 280 S N -0.998 114.489 115.700 -0.355 0.000 2.593 280 S HA 0.187 4.656 4.470 -0.001 0.000 0.217 280 S C 0.840 175.239 174.600 -0.336 0.000 0.966 280 S CA 0.534 58.533 58.200 -0.334 0.000 0.914 280 S CB 0.649 63.657 63.200 -0.320 0.000 0.776 280 S HN 0.695 nan 8.310 nan 0.000 0.523 281 G N 0.693 109.330 108.800 -0.271 0.000 2.131 281 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.223 281 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.223 281 G C -0.323 174.349 174.900 -0.380 0.000 0.990 281 G CA -0.440 44.471 45.100 -0.316 0.000 0.671 281 G HN 0.488 nan 8.290 nan 0.000 0.521 282 Y N 0.497 120.778 120.300 -0.032 0.000 2.328 282 Y HA 0.586 5.135 4.550 -0.001 0.000 0.337 282 Y C 0.782 176.755 175.900 0.121 0.000 1.008 282 Y CA -0.683 57.445 58.100 0.047 0.000 1.129 282 Y CB 1.259 39.760 38.460 0.068 0.000 1.185 282 Y HN 0.228 nan 8.280 nan 0.000 0.476 283 Q N 2.888 122.827 119.800 0.231 0.000 2.304 283 Q HA 0.148 4.487 4.340 -0.001 0.000 0.260 283 Q C -0.936 175.196 176.000 0.219 0.000 0.965 283 Q CA -0.631 55.269 55.803 0.163 0.000 0.898 283 Q CB 0.505 29.266 28.738 0.039 0.000 1.196 283 Q HN 0.630 nan 8.270 nan 0.000 0.402 284 F N 6.350 126.293 119.950 -0.011 0.000 2.487 284 F HA 0.014 4.541 4.527 -0.001 0.000 0.364 284 F C 0.448 176.053 175.800 -0.325 0.000 1.126 284 F CA -0.352 57.429 58.000 -0.365 0.000 1.135 284 F CB 0.244 39.071 39.000 -0.290 0.000 1.127 284 F HN 0.620 nan 8.300 nan 0.000 0.559 285 I N 4.003 124.273 120.570 -0.499 0.000 2.277 285 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 285 I C 1.368 177.075 176.117 -0.683 0.000 1.094 285 I CA 1.296 62.296 61.300 -0.499 0.000 1.393 285 I CB -1.515 36.284 38.000 -0.336 0.000 1.078 285 I HN 0.647 nan 8.210 nan 0.000 0.417 286 G N -1.675 106.660 108.800 -0.775 0.000 2.350 286 G HA2 0.359 4.318 3.960 -0.001 0.000 0.304 286 G HA3 0.359 4.318 3.960 -0.001 0.000 0.304 286 G C -0.311 174.649 174.900 0.101 0.000 1.421 286 G CA -0.027 44.787 45.100 -0.476 0.000 0.934 286 G HN -0.082 nan 8.290 nan 0.000 0.632 287 M N -0.944 118.819 119.600 0.272 0.000 7.319 287 M HA -0.160 4.319 4.480 -0.001 0.000 0.282 287 M C 0.166 176.751 176.300 0.474 0.000 0.480 287 M CA 2.533 58.039 55.300 0.345 0.000 1.311 287 M CB -1.417 31.326 32.600 0.238 0.000 0.421 287 M HN 0.717 nan 8.290 nan 0.000 0.427 288 D N -0.474 120.145 120.400 0.366 0.000 2.804 288 D HA 0.312 4.951 4.640 -0.001 0.000 0.308 288 D C -0.763 175.746 176.300 0.348 0.000 1.371 288 D CA 0.017 54.236 54.000 0.366 0.000 0.823 288 D CB -0.094 40.860 40.800 0.257 0.000 1.126 288 D HN 0.449 nan 8.370 nan 0.000 0.467 289 H N -0.283 118.907 119.070 0.200 0.000 2.538 289 H HA 0.493 5.048 4.556 -0.001 0.000 0.353 289 H C -1.354 173.947 175.328 -0.045 0.000 1.109 289 H CA -0.376 55.767 56.048 0.158 0.000 1.192 289 H CB 0.669 30.598 29.762 0.279 0.000 1.555 289 H HN -0.212 nan 8.280 nan 0.000 0.518 290 F N 2.186 122.010 119.950 -0.210 0.000 2.540 290 F HA 0.756 5.283 4.527 -0.001 0.000 0.317 290 F C -0.186 175.443 175.800 -0.285 0.000 1.104 290 F CA -0.493 57.431 58.000 -0.125 0.000 0.913 290 F CB 1.946 40.894 39.000 -0.087 0.000 1.170 290 F HN 0.663 nan 8.300 nan 0.000 0.450 291 A N 2.543 125.430 122.820 0.111 0.000 2.606 291 A HA 0.725 5.044 4.320 -0.001 0.000 0.293 291 A C -0.837 176.865 177.584 0.197 0.000 1.082 291 A CA -1.077 51.038 52.037 0.130 0.000 0.685 291 A CB 1.524 20.527 19.000 0.005 0.000 1.284 291 A HN 0.731 nan 8.150 nan 0.000 0.408 292 R N 0.974 121.566 120.500 0.153 0.000 2.734 292 R HA 0.161 4.500 4.340 -0.001 0.000 0.266 292 R C -1.716 174.585 176.300 0.001 0.000 1.044 292 R CA -1.110 54.999 56.100 0.015 0.000 1.128 292 R CB 0.280 30.549 30.300 -0.052 0.000 1.010 292 R HN 0.390 nan 8.270 nan 0.000 0.461 293 P HA -0.155 nan 4.420 nan 0.000 0.217 293 P C 0.179 177.465 177.300 -0.024 0.000 1.148 293 P CA 1.438 64.521 63.100 -0.028 0.000 0.828 293 P CB 0.218 31.894 31.700 -0.040 0.000 0.783 294 D N -1.400 118.987 120.400 -0.022 0.000 2.525 294 D HA 0.023 4.662 4.640 -0.001 0.000 0.229 294 D C -0.167 176.134 176.300 0.002 0.000 1.202 294 D CA -0.109 53.883 54.000 -0.013 0.000 0.828 294 D CB -0.631 40.158 40.800 -0.018 0.000 1.008 294 D HN 0.051 nan 8.370 nan 0.000 0.493 295 D N 0.642 121.049 120.400 0.012 0.000 2.345 295 D HA -0.036 4.603 4.640 -0.001 0.000 0.247 295 D C 1.408 177.725 176.300 0.029 0.000 1.108 295 D CA -0.025 53.995 54.000 0.034 0.000 0.894 295 D CB 1.190 42.021 40.800 0.052 0.000 1.203 295 D HN 0.297 nan 8.370 nan 0.000 0.430 296 E N 2.940 123.166 120.200 0.043 0.000 2.147 296 E HA -0.236 4.113 4.350 -0.001 0.000 0.199 296 E C 1.816 178.438 176.600 0.036 0.000 1.005 296 E CA 1.197 57.622 56.400 0.041 0.000 0.810 296 E CB -0.228 29.506 29.700 0.057 0.000 0.736 296 E HN 0.517 nan 8.360 nan 0.000 0.460 297 L N 0.687 121.938 121.223 0.047 0.000 2.056 297 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 297 L C 2.835 179.681 176.870 -0.040 0.000 1.078 297 L CA 1.018 55.871 54.840 0.022 0.000 0.749 297 L CB -0.561 41.539 42.059 0.068 0.000 0.901 297 L HN 0.271 nan 8.230 nan 0.000 0.433 298 A N -0.281 122.519 122.820 -0.033 0.000 1.930 298 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 298 A C 2.340 179.894 177.584 -0.051 0.000 1.175 298 A CA 1.505 53.507 52.037 -0.059 0.000 0.627 298 A CB -0.692 18.284 19.000 -0.039 0.000 0.815 298 A HN 0.191 nan 8.150 nan 0.000 0.443 299 V N -0.229 119.668 119.914 -0.028 0.000 2.307 299 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 299 V C 3.060 179.136 176.094 -0.029 0.000 1.045 299 V CA 1.887 64.173 62.300 -0.024 0.000 1.024 299 V CB -1.195 30.623 31.823 -0.009 0.000 0.651 299 V HN 0.601 nan 8.190 nan 0.000 0.449 300 A N -0.765 122.041 122.820 -0.024 0.000 1.902 300 A HA -0.314 4.006 4.320 -0.001 0.000 0.217 300 A C 2.256 179.804 177.584 -0.059 0.000 1.181 300 A CA 2.180 54.202 52.037 -0.027 0.000 0.623 300 A CB -0.588 18.410 19.000 -0.003 0.000 0.818 300 A HN 0.603 nan 8.150 nan 0.000 0.443 301 Q N -0.519 119.232 119.800 -0.081 0.000 2.061 301 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 301 Q C 2.343 178.297 176.000 -0.077 0.000 0.984 301 Q CA 1.685 57.428 55.803 -0.100 0.000 0.846 301 Q CB -0.159 28.495 28.738 -0.141 0.000 0.902 301 Q HN 0.648 nan 8.270 nan 0.000 0.421 302 R N 0.172 120.629 120.500 -0.070 0.000 2.103 302 R HA -0.162 4.177 4.340 -0.001 0.000 0.242 302 R C 1.874 178.144 176.300 -0.050 0.000 1.142 302 R CA 1.780 57.844 56.100 -0.059 0.000 0.960 302 R CB -0.133 30.136 30.300 -0.052 0.000 0.858 302 R HN 0.432 nan 8.270 nan 0.000 0.439 303 E N -0.822 119.350 120.200 -0.046 0.000 2.511 303 E HA 0.006 4.355 4.350 -0.001 0.000 0.196 303 E C 0.746 177.318 176.600 -0.047 0.000 1.066 303 E CA 0.383 56.760 56.400 -0.039 0.000 0.871 303 E CB 0.319 30.003 29.700 -0.028 0.000 0.863 303 E HN 0.574 nan 8.360 nan 0.000 0.520 304 G N 1.251 110.014 108.800 -0.062 0.000 2.136 304 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.242 304 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.242 304 G C 0.621 175.458 174.900 -0.105 0.000 0.989 304 G CA 0.401 45.456 45.100 -0.075 0.000 0.682 304 G HN 0.425 nan 8.290 nan 0.000 0.522 305 V N -2.688 117.154 119.914 -0.119 0.000 2.841 305 V HA 0.758 4.878 4.120 -0.001 0.000 0.363 305 V C 0.406 176.316 176.094 -0.306 0.000 1.330 305 V CA -0.429 61.760 62.300 -0.184 0.000 1.207 305 V CB 0.532 32.339 31.823 -0.025 0.000 1.318 305 V HN 0.626 nan 8.190 nan 0.000 0.603 306 L N 1.993 123.050 121.223 -0.277 0.000 2.417 306 L HA 0.676 5.015 4.340 -0.001 0.000 0.268 306 L C 0.005 176.643 176.870 -0.386 0.000 1.158 306 L CA 0.737 55.450 54.840 -0.211 0.000 0.819 306 L CB 0.422 42.395 42.059 -0.144 0.000 1.112 306 L HN 0.587 nan 8.230 nan 0.000 0.458 307 H N 2.892 122.030 119.070 0.113 0.000 2.869 307 H HA 0.780 5.335 4.556 -0.001 0.000 0.342 307 H C -0.850 174.603 175.328 0.208 0.000 1.250 307 H CA -1.004 55.123 56.048 0.131 0.000 1.217 307 H CB 1.290 31.100 29.762 0.079 0.000 1.917 307 H HN 0.500 nan 8.280 nan 0.000 0.586 308 R N 0.805 121.482 120.500 0.295 0.000 2.566 308 R HA 0.254 4.593 4.340 -0.001 0.000 0.271 308 R C -1.331 174.994 176.300 0.043 0.000 1.071 308 R CA -0.766 55.425 56.100 0.152 0.000 0.915 308 R CB 1.225 31.623 30.300 0.163 0.000 1.228 308 R HN 0.914 nan 8.270 nan 0.000 0.449 309 N N 1.441 120.103 118.700 -0.064 0.000 3.201 309 N HA 0.253 4.992 4.740 -0.001 0.000 0.344 309 N C 0.184 175.531 175.510 -0.272 0.000 1.465 309 N CA -0.748 52.227 53.050 -0.124 0.000 0.731 309 N CB -0.057 38.430 38.487 -0.000 0.000 1.677 309 N HN 0.302 nan 8.380 nan 0.000 0.631 310 F N -0.782 119.074 119.950 -0.157 0.000 2.269 310 F HA -0.002 4.525 4.527 -0.001 0.000 0.301 310 F C 2.420 178.077 175.800 -0.239 0.000 1.082 310 F CA 1.124 58.989 58.000 -0.225 0.000 1.360 310 F CB -0.091 38.780 39.000 -0.215 0.000 1.041 310 F HN 0.511 nan 8.300 nan 0.000 0.512 311 Q N 0.220 119.987 119.800 -0.055 0.000 2.311 311 Q HA 0.256 4.595 4.340 -0.001 0.000 0.203 311 Q C 0.933 176.859 176.000 -0.123 0.000 0.954 311 Q CA 0.966 56.696 55.803 -0.123 0.000 0.885 311 Q CB 0.179 28.788 28.738 -0.214 0.000 0.963 311 Q HN 0.376 nan 8.270 nan 0.000 0.471 312 G N -2.049 106.662 108.800 -0.149 0.000 2.278 312 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.265 312 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.265 312 G C -1.557 173.259 174.900 -0.141 0.000 1.329 312 G CA -0.580 44.392 45.100 -0.213 0.000 1.017 312 G HN -0.005 nan 8.290 nan 0.000 0.472 313 Y N 0.502 120.776 120.300 -0.043 0.000 2.480 313 Y HA 0.582 5.131 4.550 -0.001 0.000 0.338 313 Y C 1.239 177.170 175.900 0.052 0.000 1.220 313 Y CA 0.998 59.115 58.100 0.028 0.000 1.430 313 Y CB 1.462 39.961 38.460 0.064 0.000 1.311 313 Y HN 0.756 nan 8.280 nan 0.000 0.575 314 T N -0.389 114.337 114.554 0.286 0.000 2.886 314 T HA 0.221 4.570 4.350 -0.001 0.000 0.330 314 T C 0.580 175.409 174.700 0.216 0.000 1.488 314 T CA -0.113 62.107 62.100 0.200 0.000 1.054 314 T CB 0.649 69.601 68.868 0.140 0.000 1.348 314 T HN 0.702 nan 8.240 nan 0.000 0.489 315 T N 0.945 115.600 114.554 0.168 0.000 3.023 315 T HA 0.120 4.470 4.350 -0.001 0.000 0.266 315 T C 0.713 175.509 174.700 0.159 0.000 1.093 315 T CA 0.654 62.861 62.100 0.177 0.000 1.129 315 T CB -0.144 68.790 68.868 0.110 0.000 0.899 315 T HN 0.604 nan 8.240 nan 0.000 0.491 316 Q N 1.879 121.722 119.800 0.071 0.000 2.441 316 Q HA 0.529 4.869 4.340 -0.001 0.000 0.234 316 Q C 0.233 176.119 176.000 -0.190 0.000 1.078 316 Q CA -0.656 55.121 55.803 -0.043 0.000 0.907 316 Q CB 1.114 29.844 28.738 -0.014 0.000 1.269 316 Q HN 0.543 nan 8.270 nan 0.000 0.502 317 G N 1.251 109.727 108.800 -0.540 0.000 2.488 317 G HA2 0.260 4.219 3.960 -0.001 0.000 0.318 317 G HA3 0.260 4.219 3.960 -0.001 0.000 0.318 317 G C -0.359 174.305 174.900 -0.393 0.000 1.188 317 G CA -0.514 44.100 45.100 -0.811 0.000 0.944 317 G HN 0.652 nan 8.290 nan 0.000 0.495 318 D N -0.251 119.985 120.400 -0.275 0.000 2.689 318 D HA -0.152 4.487 4.640 -0.001 0.000 0.237 318 D C 0.831 177.039 176.300 -0.154 0.000 1.148 318 D CA 1.575 55.457 54.000 -0.198 0.000 0.656 318 D CB -1.327 39.355 40.800 -0.198 0.000 1.050 318 D HN 0.774 nan 8.370 nan 0.000 0.426 319 T N -2.825 111.661 114.554 -0.114 0.000 2.918 319 T HA 0.537 4.886 4.350 -0.001 0.000 0.286 319 T C -0.078 174.603 174.700 -0.032 0.000 1.026 319 T CA -1.041 61.021 62.100 -0.064 0.000 1.031 319 T CB 2.552 71.390 68.868 -0.051 0.000 1.046 319 T HN -0.195 nan 8.240 nan 0.000 0.479 320 D N 1.309 121.714 120.400 0.008 0.000 2.256 320 D HA 0.417 5.056 4.640 -0.001 0.000 0.250 320 D C -0.597 175.708 176.300 0.009 0.000 1.093 320 D CA -0.334 53.692 54.000 0.043 0.000 0.882 320 D CB 1.584 42.458 40.800 0.122 0.000 1.185 320 D HN 0.551 nan 8.370 nan 0.000 0.437 321 L N 3.376 124.613 121.223 0.023 0.000 2.319 321 L HA 0.407 4.746 4.340 -0.001 0.000 0.281 321 L C -1.617 175.272 176.870 0.033 0.000 1.005 321 L CA -0.802 54.053 54.840 0.024 0.000 0.828 321 L CB 1.339 43.447 42.059 0.081 0.000 1.227 321 L HN 0.177 nan 8.230 nan 0.000 0.415 322 L N 5.186 126.376 121.223 -0.054 0.000 2.272 322 L HA 0.853 5.192 4.340 -0.001 0.000 0.289 322 L C 0.158 177.070 176.870 0.070 0.000 1.032 322 L CA 0.111 54.932 54.840 -0.031 0.000 0.810 322 L CB 1.291 43.156 42.059 -0.323 0.000 1.205 322 L HN 0.716 nan 8.230 nan 0.000 0.422 323 G N 5.755 114.655 108.800 0.167 0.000 2.372 323 G HA2 0.627 4.587 3.960 -0.001 0.000 0.323 323 G HA3 0.627 4.587 3.960 -0.001 0.000 0.323 323 G C -0.898 174.125 174.900 0.206 0.000 1.152 323 G CA -0.597 44.651 45.100 0.247 0.000 0.906 323 G HN 0.569 nan 8.290 nan 0.000 0.460 324 M N 1.336 121.046 119.600 0.183 0.000 2.591 324 M HA 0.719 5.198 4.480 -0.001 0.000 0.306 324 M C 0.360 176.715 176.300 0.091 0.000 1.190 324 M CA -0.034 55.353 55.300 0.144 0.000 0.889 324 M CB 2.624 35.299 32.600 0.125 0.000 1.728 324 M HN 1.141 nan 8.290 nan 0.000 0.458 325 G N 0.507 109.349 108.800 0.070 0.000 2.661 325 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.685 325 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.685 325 G C -1.149 173.517 174.900 -0.390 0.000 1.298 325 G CA -0.812 44.172 45.100 -0.194 0.000 0.855 325 G HN 0.773 nan 8.290 nan 0.000 0.560 326 V N 1.312 120.785 119.914 -0.736 0.000 2.617 326 V HA 0.353 4.473 4.120 -0.001 0.000 0.304 326 V C 1.809 177.703 176.094 -0.333 0.000 1.040 326 V CA 2.404 64.352 62.300 -0.587 0.000 1.149 326 V CB 0.855 32.353 31.823 -0.542 0.000 0.914 326 V HN 2.997 nan 8.190 nan 0.000 0.487 327 S N 2.921 118.481 115.700 -0.233 0.000 2.929 327 S HA -0.208 4.262 4.470 -0.001 0.000 0.271 327 S C 0.489 174.985 174.600 -0.173 0.000 1.295 327 S CA 0.958 59.027 58.200 -0.217 0.000 1.277 327 S CB -2.394 60.571 63.200 -0.392 0.000 1.557 327 S HN 2.578 nan 8.310 nan 0.000 0.666 328 A N 1.529 124.304 122.820 -0.074 0.000 2.520 328 A HA 0.607 4.926 4.320 -0.001 0.000 0.245 328 A C 0.435 178.022 177.584 0.006 0.000 1.072 328 A CA 0.182 52.247 52.037 0.048 0.000 0.761 328 A CB -0.116 19.020 19.000 0.226 0.000 1.004 328 A HN 0.753 nan 8.150 nan 0.000 0.499 329 I N 2.182 122.680 120.570 -0.119 0.000 2.353 329 I HA 0.240 4.409 4.170 -0.001 0.000 0.293 329 I C 0.374 176.489 176.117 -0.003 0.000 0.992 329 I CA 0.127 61.339 61.300 -0.147 0.000 1.268 329 I CB 1.742 39.426 38.000 -0.526 0.000 1.387 329 I HN 0.547 nan 8.210 nan 0.000 0.478 330 S N 7.030 122.785 115.700 0.091 0.000 2.509 330 S HA 0.621 5.091 4.470 -0.001 0.000 0.297 330 S C -0.360 174.321 174.600 0.135 0.000 1.118 330 S CA -0.742 57.553 58.200 0.159 0.000 1.074 330 S CB 1.484 64.850 63.200 0.278 0.000 1.038 330 S HN 0.462 nan 8.310 nan 0.000 0.498 331 M N 3.854 123.512 119.600 0.096 0.000 2.006 331 M HA 0.498 4.977 4.480 -0.001 0.000 0.314 331 M C -1.320 174.961 176.300 -0.031 0.000 0.926 331 M CA 0.023 55.287 55.300 -0.060 0.000 0.906 331 M CB 0.431 33.020 32.600 -0.019 0.000 1.422 331 M HN 0.424 nan 8.290 nan 0.000 0.397 332 I N 1.266 121.813 120.570 -0.039 0.000 2.569 332 I HA 0.460 4.630 4.170 -0.001 0.000 0.290 332 I C 0.806 176.950 176.117 0.044 0.000 1.088 332 I CA -0.718 60.602 61.300 0.033 0.000 1.047 332 I CB 2.327 40.345 38.000 0.030 0.000 1.237 332 I HN 0.902 nan 8.210 nan 0.000 0.421 333 G N 4.122 113.020 108.800 0.164 0.000 2.395 333 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.300 333 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.300 333 G C 0.191 175.173 174.900 0.136 0.000 0.998 333 G CA 0.480 45.685 45.100 0.174 0.000 1.046 333 G HN 0.911 nan 8.290 nan 0.000 0.513 334 D N -2.906 117.604 120.400 0.183 0.000 2.751 334 D HA -0.216 4.423 4.640 -0.001 0.000 0.233 334 D C 0.705 177.017 176.300 0.021 0.000 1.149 334 D CA 1.506 55.569 54.000 0.106 0.000 0.682 334 D CB -1.845 39.071 40.800 0.193 0.000 1.068 334 D HN 0.724 nan 8.370 nan 0.000 0.429 335 C N -0.230 119.029 119.300 -0.069 0.000 2.889 335 C HA 0.613 5.072 4.460 -0.001 0.000 0.307 335 C C 0.011 174.783 174.990 -0.364 0.000 1.251 335 C CA -0.969 57.980 59.018 -0.114 0.000 1.593 335 C CB 1.604 29.398 27.740 0.090 0.000 2.104 335 C HN 0.196 nan 8.230 nan 0.000 0.476 336 Y N 0.792 120.896 120.300 -0.327 0.000 2.420 336 Y HA 0.662 5.211 4.550 -0.001 0.000 0.334 336 Y C 0.419 175.832 175.900 -0.813 0.000 1.094 336 Y CA -0.213 57.598 58.100 -0.482 0.000 1.126 336 Y CB 1.518 39.571 38.460 -0.678 0.000 1.217 336 Y HN 0.881 nan 8.280 nan 0.000 0.462 337 A N 2.846 125.441 122.820 -0.375 0.000 2.517 337 A HA 0.607 4.926 4.320 -0.001 0.000 0.297 337 A C -1.622 175.866 177.584 -0.160 0.000 1.050 337 A CA -0.718 51.112 52.037 -0.345 0.000 0.694 337 A CB 1.912 20.974 19.000 0.103 0.000 1.277 337 A HN 0.693 nan 8.150 nan 0.000 0.400 338 Q N 1.478 121.203 119.800 -0.125 0.000 2.356 338 Q HA 0.388 4.728 4.340 -0.001 0.000 0.270 338 Q C -0.929 175.183 176.000 0.185 0.000 1.058 338 Q CA -0.878 54.956 55.803 0.051 0.000 0.802 338 Q CB 1.381 30.210 28.738 0.151 0.000 1.303 338 Q HN 0.816 nan 8.270 nan 0.000 0.444 339 N N 2.448 121.257 118.700 0.181 0.000 2.482 339 N HA 0.020 4.760 4.740 -0.001 0.000 0.260 339 N C -0.685 174.987 175.510 0.271 0.000 1.236 339 N CA 0.026 53.209 53.050 0.221 0.000 0.938 339 N CB 0.624 39.225 38.487 0.191 0.000 1.128 339 N HN 0.532 nan 8.380 nan 0.000 0.448 340 Q N 1.231 121.130 119.800 0.165 0.000 2.757 340 Q HA -0.185 4.155 4.340 -0.001 0.000 0.366 340 Q C 1.057 176.921 176.000 -0.227 0.000 1.083 340 Q CA 0.828 56.498 55.803 -0.223 0.000 1.146 340 Q CB 0.132 28.772 28.738 -0.162 0.000 1.060 340 Q HN 0.671 nan 8.270 nan 0.000 0.416 341 K N 1.333 121.461 120.400 -0.454 0.000 2.314 341 K HA 0.031 4.350 4.320 -0.001 0.000 0.198 341 K C 0.384 176.822 176.600 -0.269 0.000 1.045 341 K CA 0.482 56.606 56.287 -0.271 0.000 0.988 341 K CB 0.443 32.841 32.500 -0.169 0.000 0.783 341 K HN 0.342 nan 8.250 nan 0.000 0.484 342 E N 0.858 120.864 120.200 -0.323 0.000 2.216 342 E HA 0.093 4.442 4.350 -0.001 0.000 0.279 342 E C 0.496 176.976 176.600 -0.200 0.000 0.997 342 E CA -0.588 55.671 56.400 -0.236 0.000 0.817 342 E CB 1.409 30.978 29.700 -0.218 0.000 1.096 342 E HN 0.118 nan 8.360 nan 0.000 0.393 343 L N 5.009 126.108 121.223 -0.206 0.000 2.046 343 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 343 L C 2.007 178.733 176.870 -0.241 0.000 1.077 343 L CA 2.038 56.713 54.840 -0.276 0.000 0.747 343 L CB -0.449 41.424 42.059 -0.311 0.000 0.896 343 L HN 0.736 nan 8.230 nan 0.000 0.432 344 K N -1.120 119.227 120.400 -0.088 0.000 2.025 344 K HA -0.256 4.063 4.320 -0.001 0.000 0.207 344 K C 2.091 178.703 176.600 0.020 0.000 1.049 344 K CA 1.487 57.795 56.287 0.035 0.000 0.933 344 K CB -0.145 32.377 32.500 0.036 0.000 0.714 344 K HN 0.268 nan 8.250 nan 0.000 0.438 345 Q N -0.007 119.759 119.800 -0.057 0.000 2.032 345 Q HA -0.320 4.020 4.340 -0.001 0.000 0.217 345 Q C 1.934 177.900 176.000 -0.057 0.000 1.058 345 Q CA 2.947 58.686 55.803 -0.106 0.000 0.911 345 Q CB -0.834 27.761 28.738 -0.238 0.000 1.045 345 Q HN 0.553 nan 8.270 nan 0.000 0.429 346 Y N -0.891 119.307 120.300 -0.169 0.000 2.097 346 Y HA -0.307 4.243 4.550 -0.001 0.000 0.282 346 Y C 1.928 177.822 175.900 -0.010 0.000 1.152 346 Y CA 1.989 60.010 58.100 -0.131 0.000 1.136 346 Y CB -0.537 37.804 38.460 -0.198 0.000 0.975 346 Y HN 0.299 nan 8.280 nan 0.000 0.498 347 Y N 0.802 121.078 120.300 -0.041 0.000 2.145 347 Y HA -0.280 4.270 4.550 -0.001 0.000 0.286 347 Y C 2.880 178.693 175.900 -0.145 0.000 1.145 347 Y CA 1.706 59.744 58.100 -0.103 0.000 1.148 347 Y CB -1.329 37.160 38.460 0.049 0.000 0.981 347 Y HN 0.316 nan 8.280 nan 0.000 0.507 348 Q N -0.070 119.780 119.800 0.082 0.000 2.084 348 Q HA -0.268 4.071 4.340 -0.001 0.000 0.202 348 Q C 2.349 178.315 176.000 -0.057 0.000 0.978 348 Q CA 1.873 57.681 55.803 0.009 0.000 0.844 348 Q CB -0.141 28.604 28.738 0.011 0.000 0.898 348 Q HN 0.579 nan 8.270 nan 0.000 0.426 349 Q N -0.630 119.113 119.800 -0.095 0.000 2.123 349 Q HA -0.102 4.238 4.340 -0.001 0.000 0.199 349 Q C 2.037 177.928 176.000 -0.181 0.000 0.966 349 Q CA 1.139 56.872 55.803 -0.118 0.000 0.845 349 Q CB 0.266 28.944 28.738 -0.100 0.000 0.907 349 Q HN 0.298 nan 8.270 nan 0.000 0.439 350 V N 1.287 121.035 119.914 -0.276 0.000 2.343 350 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 350 V C 1.887 177.840 176.094 -0.234 0.000 1.051 350 V CA 2.193 64.304 62.300 -0.316 0.000 1.036 350 V CB -0.595 30.963 31.823 -0.441 0.000 0.654 350 V HN 0.486 nan 8.190 nan 0.000 0.451 351 D N -0.056 120.249 120.400 -0.158 0.000 2.117 351 D HA -0.190 4.450 4.640 -0.001 0.000 0.197 351 D C 2.141 178.378 176.300 -0.106 0.000 0.987 351 D CA 1.635 55.568 54.000 -0.112 0.000 0.829 351 D CB -0.029 40.728 40.800 -0.070 0.000 0.961 351 D HN 0.568 nan 8.370 nan 0.000 0.460 352 E N -0.920 119.221 120.200 -0.099 0.000 2.170 352 E HA -0.016 4.333 4.350 -0.001 0.000 0.191 352 E C 1.754 178.300 176.600 -0.090 0.000 0.981 352 E CA 0.588 56.944 56.400 -0.074 0.000 0.830 352 E CB 0.175 29.844 29.700 -0.052 0.000 0.775 352 E HN 0.418 nan 8.360 nan 0.000 0.470 353 Q N -1.456 118.262 119.800 -0.136 0.000 2.179 353 Q HA 0.178 4.517 4.340 -0.001 0.000 0.244 353 Q C 0.856 176.705 176.000 -0.252 0.000 0.808 353 Q CA 0.385 56.109 55.803 -0.132 0.000 0.955 353 Q CB 1.883 30.565 28.738 -0.093 0.000 1.141 353 Q HN 0.320 nan 8.270 nan 0.000 0.485 354 G N 2.587 111.126 108.800 -0.436 0.000 2.184 354 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.264 354 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.264 354 G C -0.031 174.646 174.900 -0.372 0.000 0.975 354 G CA 0.675 45.279 45.100 -0.827 0.000 0.642 354 G HN 0.467 nan 8.290 nan 0.000 0.536 355 N N -1.540 117.023 118.700 -0.228 0.000 2.732 355 N HA 0.664 5.403 4.740 -0.001 0.000 0.259 355 N C 0.022 175.440 175.510 -0.153 0.000 1.402 355 N CA -0.375 52.588 53.050 -0.145 0.000 0.829 355 N CB 1.409 39.832 38.487 -0.107 0.000 1.495 355 N HN 0.740 nan 8.380 nan 0.000 0.511 356 A N 0.390 123.153 122.820 -0.096 0.000 2.631 356 A HA 0.241 4.560 4.320 -0.001 0.000 0.294 356 A C -0.013 177.603 177.584 0.053 0.000 1.156 356 A CA -0.339 51.672 52.037 -0.043 0.000 0.963 356 A CB -0.377 18.634 19.000 0.019 0.000 1.202 356 A HN 0.525 nan 8.150 nan 0.000 0.523 357 L N 0.157 121.380 121.223 0.001 0.000 2.584 357 L HA 0.165 4.504 4.340 -0.001 0.000 0.272 357 L C 0.646 177.630 176.870 0.190 0.000 1.195 357 L CA 0.664 55.530 54.840 0.043 0.000 0.920 357 L CB 0.186 42.200 42.059 -0.075 0.000 1.173 357 L HN 0.583 nan 8.230 nan 0.000 0.489 358 W N 6.610 127.919 121.300 0.015 0.000 3.227 358 W HA 0.283 4.942 4.660 -0.001 0.000 0.246 358 W C 0.230 176.786 176.519 0.063 0.000 1.007 358 W CA 0.760 58.124 57.345 0.032 0.000 1.925 358 W CB 0.164 29.640 29.460 0.027 0.000 1.062 358 W HN 0.606 nan 8.180 nan 0.000 0.649 359 R N -0.305 120.123 120.500 -0.120 0.000 2.752 359 R HA 0.713 5.052 4.340 -0.001 0.000 0.271 359 R C -0.426 175.683 176.300 -0.318 0.000 1.026 359 R CA -0.348 55.566 56.100 -0.310 0.000 0.901 359 R CB 1.240 31.091 30.300 -0.747 0.000 1.243 359 R HN 0.129 nan 8.270 nan 0.000 0.463 360 G N 0.287 108.839 108.800 -0.414 0.000 2.348 360 G HA2 0.496 4.455 3.960 -0.001 0.000 0.296 360 G HA3 0.496 4.455 3.960 -0.001 0.000 0.296 360 G C -1.692 172.769 174.900 -0.733 0.000 1.258 360 G CA -0.602 43.916 45.100 -0.970 0.000 0.868 360 G HN 0.805 nan 8.290 nan 0.000 0.488 361 I N -2.705 117.336 120.570 -0.882 0.000 2.787 361 I HA 0.742 4.911 4.170 -0.001 0.000 0.294 361 I C -0.153 175.913 176.117 -0.084 0.000 1.365 361 I CA -1.338 59.819 61.300 -0.238 0.000 1.029 361 I CB 2.152 40.122 38.000 -0.050 0.000 1.313 361 I HN 0.939 nan 8.210 nan 0.000 0.431 362 A N 5.562 128.518 122.820 0.227 0.000 2.269 362 A HA 0.736 5.056 4.320 -0.001 0.000 0.302 362 A C -0.483 177.197 177.584 0.159 0.000 1.266 362 A CA -0.407 51.776 52.037 0.244 0.000 0.894 362 A CB 0.258 19.423 19.000 0.274 0.000 1.147 362 A HN 0.603 nan 8.150 nan 0.000 0.537 363 L N 2.975 124.282 121.223 0.140 0.000 2.455 363 L HA 0.220 4.559 4.340 -0.001 0.000 0.272 363 L C 1.617 178.567 176.870 0.134 0.000 1.174 363 L CA 0.712 55.642 54.840 0.149 0.000 0.869 363 L CB 0.448 42.604 42.059 0.162 0.000 1.130 363 L HN 0.873 nan 8.230 nan 0.000 0.474 364 T N 0.670 115.300 114.554 0.127 0.000 2.667 364 T HA 0.127 4.476 4.350 -0.001 0.000 0.305 364 T C 1.457 176.195 174.700 0.064 0.000 1.022 364 T CA -0.287 61.871 62.100 0.096 0.000 0.995 364 T CB 0.460 69.378 68.868 0.085 0.000 1.026 364 T HN 0.691 nan 8.240 nan 0.000 0.527 365 R N 0.903 121.422 120.500 0.032 0.000 2.091 365 R HA -0.181 4.158 4.340 -0.001 0.000 0.238 365 R C 1.613 177.770 176.300 -0.239 0.000 1.136 365 R CA 2.457 58.511 56.100 -0.075 0.000 0.959 365 R CB -1.485 28.817 30.300 0.004 0.000 0.856 365 R HN 0.818 nan 8.270 nan 0.000 0.437 366 D N 0.632 120.994 120.400 -0.063 0.000 2.117 366 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 366 D C 1.306 177.644 176.300 0.063 0.000 0.987 366 D CA 1.567 55.570 54.000 0.005 0.000 0.829 366 D CB -0.144 40.693 40.800 0.063 0.000 0.961 366 D HN 0.233 nan 8.370 nan 0.000 0.460 367 D N -0.564 119.919 120.400 0.139 0.000 2.104 367 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 367 D C 2.210 178.650 176.300 0.233 0.000 0.994 367 D CA 0.843 55.021 54.000 0.296 0.000 0.830 367 D CB -0.634 40.310 40.800 0.241 0.000 0.959 367 D HN 0.335 nan 8.370 nan 0.000 0.452 368 C N 0.437 119.761 119.300 0.040 0.000 2.440 368 C HA -0.005 4.455 4.460 -0.001 0.000 0.278 368 C C 2.858 177.772 174.990 -0.128 0.000 1.295 368 C CA -0.098 58.930 59.018 0.018 0.000 1.738 368 C CB -0.855 26.913 27.740 0.046 0.000 1.987 368 C HN 0.342 nan 8.230 nan 0.000 0.492 369 I N 0.531 120.796 120.570 -0.508 0.000 2.252 369 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 369 I C 2.709 178.756 176.117 -0.118 0.000 1.102 369 I CA 1.485 62.433 61.300 -0.587 0.000 1.385 369 I CB -0.615 36.846 38.000 -0.898 0.000 1.064 369 I HN 0.325 nan 8.210 nan 0.000 0.414 370 R N 0.371 120.862 120.500 -0.014 0.000 2.115 370 R HA -0.086 4.254 4.340 -0.001 0.000 0.226 370 R C 2.458 178.642 176.300 -0.195 0.000 1.100 370 R CA 0.692 56.755 56.100 -0.061 0.000 0.980 370 R CB -0.314 29.981 30.300 -0.009 0.000 0.875 370 R HN 0.302 nan 8.270 nan 0.000 0.445 371 R N 1.196 121.731 120.500 0.058 0.000 2.083 371 R HA -0.179 4.160 4.340 -0.001 0.000 0.237 371 R C 0.965 177.271 176.300 0.011 0.000 1.137 371 R CA 2.135 58.316 56.100 0.134 0.000 0.951 371 R CB -0.139 30.344 30.300 0.306 0.000 0.851 371 R HN 0.140 nan 8.270 nan 0.000 0.434 372 D N -0.110 120.318 120.400 0.047 0.000 2.178 372 D HA -0.096 4.544 4.640 -0.001 0.000 0.202 372 D C 1.987 178.249 176.300 -0.063 0.000 0.974 372 D CA 0.856 54.889 54.000 0.055 0.000 0.841 372 D CB -0.107 40.810 40.800 0.195 0.000 0.953 372 D HN 0.095 nan 8.370 nan 0.000 0.478 373 V N 1.190 121.011 119.914 -0.155 0.000 2.261 373 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 373 V C 2.509 178.361 176.094 -0.402 0.000 1.047 373 V CA 1.228 63.327 62.300 -0.335 0.000 1.015 373 V CB -0.329 31.139 31.823 -0.592 0.000 0.642 373 V HN 0.180 nan 8.190 nan 0.000 0.446 374 I N -0.688 119.637 120.570 -0.410 0.000 2.252 374 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 374 I C 2.568 178.424 176.117 -0.436 0.000 1.102 374 I CA 1.543 62.574 61.300 -0.449 0.000 1.385 374 I CB -0.406 37.297 38.000 -0.496 0.000 1.064 374 I HN 0.252 nan 8.210 nan 0.000 0.414 375 K N 0.250 120.450 120.400 -0.333 0.000 2.032 375 K HA -0.212 4.107 4.320 -0.001 0.000 0.209 375 K C 2.361 178.849 176.600 -0.186 0.000 1.048 375 K CA 1.861 58.015 56.287 -0.221 0.000 0.927 375 K CB -0.328 32.154 32.500 -0.029 0.000 0.712 375 K HN 0.160 nan 8.250 nan 0.000 0.441 376 S N 1.009 116.602 115.700 -0.178 0.000 2.370 376 S HA -0.127 4.342 4.470 -0.001 0.000 0.226 376 S C 1.906 176.358 174.600 -0.247 0.000 1.033 376 S CA 1.110 59.202 58.200 -0.181 0.000 1.011 376 S CB -0.183 62.923 63.200 -0.155 0.000 0.852 376 S HN 0.212 nan 8.310 nan 0.000 0.457 377 L N 0.219 121.251 121.223 -0.317 0.000 2.109 377 L HA 0.111 4.450 4.340 -0.001 0.000 0.207 377 L C 2.358 178.872 176.870 -0.594 0.000 1.086 377 L CA 1.100 55.709 54.840 -0.386 0.000 0.760 377 L CB -0.266 41.581 42.059 -0.354 0.000 0.910 377 L HN 0.349 nan 8.230 nan 0.000 0.437 378 I N -1.650 118.624 120.570 -0.494 0.000 3.419 378 I HA -0.188 3.981 4.170 -0.001 0.000 0.286 378 I C 1.774 177.736 176.117 -0.259 0.000 1.268 378 I CA 0.278 61.282 61.300 -0.492 0.000 1.414 378 I CB 0.310 38.099 38.000 -0.352 0.000 1.074 378 I HN 0.355 nan 8.210 nan 0.000 0.457 379 C N -0.097 119.110 119.300 -0.155 0.000 2.464 379 C HA 0.194 4.653 4.460 -0.001 0.000 0.348 379 C C 2.017 176.997 174.990 -0.016 0.000 1.367 379 C CA -0.058 58.984 59.018 0.041 0.000 2.012 379 C CB -0.648 27.117 27.740 0.040 0.000 2.434 379 C HN 0.483 nan 8.230 nan 0.000 0.536 380 N N -0.248 118.405 118.700 -0.079 0.000 2.220 380 N HA 0.156 4.895 4.740 -0.001 0.000 0.195 380 N C 0.063 175.657 175.510 0.139 0.000 1.123 380 N CA 0.154 53.211 53.050 0.012 0.000 0.874 380 N CB 0.111 38.554 38.487 -0.073 0.000 0.995 380 N HN 0.385 nan 8.380 nan 0.000 0.498 381 F N 0.987 120.864 119.950 -0.123 0.000 3.093 381 F HA -0.312 4.215 4.527 -0.001 0.000 0.287 381 F C 0.714 176.445 175.800 -0.114 0.000 0.882 381 F CA 0.659 58.591 58.000 -0.114 0.000 1.063 381 F CB -1.594 37.336 39.000 -0.115 0.000 1.097 381 F HN 0.231 nan 8.300 nan 0.000 0.604 382 R N -0.688 119.778 120.500 -0.057 0.000 2.712 382 R HA 0.812 5.152 4.340 -0.001 0.000 0.272 382 R C -2.282 173.925 176.300 -0.154 0.000 1.032 382 R CA -1.285 54.758 56.100 -0.095 0.000 0.874 382 R CB 1.693 31.948 30.300 -0.075 0.000 1.256 382 R HN 0.156 nan 8.270 nan 0.000 0.468 383 L N 1.687 122.794 121.223 -0.193 0.000 2.541 383 L HA 0.415 4.755 4.340 -0.001 0.000 0.266 383 L C -1.639 175.052 176.870 -0.298 0.000 0.966 383 L CA -0.279 54.429 54.840 -0.221 0.000 0.871 383 L CB 2.051 43.966 42.059 -0.240 0.000 1.232 383 L HN 0.649 nan 8.230 nan 0.000 0.408 384 D N 4.318 124.589 120.400 -0.214 0.000 2.325 384 D HA 0.093 4.733 4.640 -0.001 0.000 0.251 384 D C 0.456 176.676 176.300 -0.133 0.000 1.196 384 D CA -0.044 53.827 54.000 -0.215 0.000 0.866 384 D CB 1.056 41.785 40.800 -0.117 0.000 1.101 384 D HN 0.447 nan 8.370 nan 0.000 0.476 385 Y N 1.265 121.406 120.300 -0.264 0.000 2.181 385 Y HA -0.185 4.364 4.550 -0.001 0.000 0.288 385 Y C 2.591 178.470 175.900 -0.036 0.000 1.146 385 Y CA 0.398 58.328 58.100 -0.283 0.000 1.164 385 Y CB -0.809 37.443 38.460 -0.345 0.000 0.982 385 Y HN 0.302 nan 8.280 nan 0.000 0.515 386 S N 0.293 116.067 115.700 0.124 0.000 2.359 386 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 386 S C -0.325 174.333 174.600 0.098 0.000 1.039 386 S CA 1.981 60.244 58.200 0.105 0.000 1.042 386 S CB -1.226 62.004 63.200 0.049 0.000 0.915 386 S HN 0.279 nan 8.310 nan 0.000 0.439 387 P HA -0.082 nan 4.420 nan 0.000 0.216 387 P C 1.294 178.659 177.300 0.108 0.000 1.153 387 P CA 1.075 64.210 63.100 0.059 0.000 0.858 387 P CB -0.085 31.635 31.700 0.034 0.000 0.789 388 I N -0.447 120.236 120.570 0.189 0.000 2.226 388 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 388 I C 2.232 178.539 176.117 0.317 0.000 1.100 388 I CA 1.498 62.993 61.300 0.324 0.000 1.374 388 I CB -0.640 37.600 38.000 0.400 0.000 1.057 388 I HN 0.019 nan 8.210 nan 0.000 0.413 389 E N 0.387 120.746 120.200 0.266 0.000 2.160 389 E HA -0.263 4.086 4.350 -0.001 0.000 0.195 389 E C 2.170 178.845 176.600 0.124 0.000 0.991 389 E CA 1.127 57.646 56.400 0.199 0.000 0.810 389 E CB -0.050 29.764 29.700 0.190 0.000 0.742 389 E HN 0.622 nan 8.360 nan 0.000 0.466 390 Q N 0.362 120.213 119.800 0.085 0.000 2.061 390 Q HA -0.114 4.226 4.340 -0.001 0.000 0.195 390 Q C 2.249 178.229 176.000 -0.034 0.000 0.967 390 Q CA 0.608 56.427 55.803 0.026 0.000 0.829 390 Q CB -0.220 28.526 28.738 0.012 0.000 0.900 390 Q HN 0.273 nan 8.270 nan 0.000 0.450 391 Q N -0.027 119.714 119.800 -0.097 0.000 2.112 391 Q HA -0.186 4.153 4.340 -0.001 0.000 0.206 391 Q C 0.811 176.544 176.000 -0.445 0.000 0.987 391 Q CA 1.541 57.144 55.803 -0.333 0.000 0.858 391 Q CB 0.054 28.494 28.738 -0.497 0.000 0.905 391 Q HN 0.448 nan 8.270 nan 0.000 0.420 392 W N 0.005 121.298 121.300 -0.012 0.000 3.132 392 W HA 0.198 4.857 4.660 -0.001 0.000 0.364 392 W C -0.240 176.238 176.519 -0.067 0.000 1.129 392 W CA -0.571 56.744 57.345 -0.050 0.000 1.815 392 W CB 0.790 30.189 29.460 -0.101 0.000 1.099 392 W HN 0.090 nan 8.180 nan 0.000 0.605 393 D N 2.429 122.903 120.400 0.124 0.000 2.697 393 D HA -0.180 4.459 4.640 -0.001 0.000 0.238 393 D C -0.537 175.800 176.300 0.061 0.000 1.152 393 D CA 1.081 55.127 54.000 0.076 0.000 0.666 393 D CB -0.801 40.035 40.800 0.060 0.000 1.037 393 D HN 0.299 nan 8.370 nan 0.000 0.423 394 L N -1.947 119.310 121.223 0.055 0.000 2.327 394 L HA 0.783 5.122 4.340 -0.001 0.000 0.258 394 L C -1.265 175.644 176.870 0.065 0.000 1.024 394 L CA -1.137 53.707 54.840 0.008 0.000 0.825 394 L CB 1.795 43.737 42.059 -0.194 0.000 1.386 394 L HN -0.013 nan 8.230 nan 0.000 0.417 395 L N 1.205 122.469 121.223 0.069 0.000 2.280 395 L HA 0.312 4.651 4.340 -0.001 0.000 0.287 395 L C 0.526 177.478 176.870 0.137 0.000 1.023 395 L CA -0.214 54.695 54.840 0.114 0.000 0.819 395 L CB 1.220 43.334 42.059 0.091 0.000 1.212 395 L HN 0.657 nan 8.230 nan 0.000 0.420 396 F N 3.766 123.736 119.950 0.034 0.000 2.091 396 F HA -0.299 4.228 4.527 -0.001 0.000 0.299 396 F C 2.194 178.034 175.800 0.067 0.000 1.103 396 F CA 2.226 60.251 58.000 0.043 0.000 1.228 396 F CB 0.126 38.894 39.000 -0.387 0.000 0.984 396 F HN 0.698 nan 8.300 nan 0.000 0.477 397 A N -0.720 122.231 122.820 0.219 0.000 2.024 397 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 397 A C 1.871 179.504 177.584 0.081 0.000 1.164 397 A CA 2.222 54.358 52.037 0.166 0.000 0.643 397 A CB -0.659 18.421 19.000 0.132 0.000 0.806 397 A HN 0.479 nan 8.150 nan 0.000 0.451 398 D N -2.740 117.682 120.400 0.037 0.000 2.490 398 D HA 0.014 4.653 4.640 -0.001 0.000 0.244 398 D C 1.640 177.872 176.300 -0.114 0.000 0.979 398 D CA 0.707 54.695 54.000 -0.021 0.000 0.924 398 D CB -0.421 40.379 40.800 -0.000 0.000 1.075 398 D HN 0.500 nan 8.370 nan 0.000 0.488 399 Y N 0.284 120.397 120.300 -0.312 0.000 2.274 399 Y HA -0.179 4.370 4.550 -0.001 0.000 0.290 399 Y C 1.047 176.478 175.900 -0.782 0.000 1.145 399 Y CA 1.475 59.230 58.100 -0.575 0.000 1.203 399 Y CB -0.018 37.978 38.460 -0.772 0.000 0.984 399 Y HN -0.167 nan 8.280 nan 0.000 0.533 400 F N -1.283 118.553 119.950 -0.189 0.000 2.708 400 F HA 0.386 4.913 4.527 -0.001 0.000 0.300 400 F C 1.749 177.458 175.800 -0.153 0.000 1.118 400 F CA 0.048 57.914 58.000 -0.225 0.000 1.307 400 F CB -0.673 38.086 39.000 -0.401 0.000 0.986 400 F HN 0.039 nan 8.300 nan 0.000 0.522 401 A N 0.211 123.023 122.820 -0.012 0.000 1.884 401 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 401 A C 2.327 179.893 177.584 -0.030 0.000 1.197 401 A CA 2.070 54.103 52.037 -0.007 0.000 0.637 401 A CB -0.529 18.448 19.000 -0.038 0.000 0.827 401 A HN 0.386 nan 8.150 nan 0.000 0.450 402 E N -0.258 119.899 120.200 -0.072 0.000 2.070 402 E HA -0.254 4.095 4.350 -0.001 0.000 0.197 402 E C 1.707 178.241 176.600 -0.110 0.000 1.004 402 E CA 1.838 58.186 56.400 -0.087 0.000 0.805 402 E CB -0.360 29.274 29.700 -0.109 0.000 0.744 402 E HN 0.763 nan 8.360 nan 0.000 0.451 403 D N 0.547 120.864 120.400 -0.139 0.000 2.144 403 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 403 D C 2.018 178.115 176.300 -0.338 0.000 0.984 403 D CA 0.783 54.576 54.000 -0.344 0.000 0.834 403 D CB -0.147 40.317 40.800 -0.561 0.000 0.955 403 D HN 0.117 nan 8.370 nan 0.000 0.465 404 L N 0.048 121.190 121.223 -0.135 0.000 2.141 404 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 404 L C 2.067 178.918 176.870 -0.032 0.000 1.094 404 L CA 1.021 55.844 54.840 -0.027 0.000 0.763 404 L CB -0.163 41.955 42.059 0.098 0.000 0.908 404 L HN -0.056 nan 8.230 nan 0.000 0.437 405 K N -0.052 120.323 120.400 -0.042 0.000 2.228 405 K HA 0.004 4.323 4.320 -0.001 0.000 0.202 405 K C 1.967 178.543 176.600 -0.041 0.000 1.051 405 K CA 0.617 56.888 56.287 -0.028 0.000 0.960 405 K CB 0.030 32.516 32.500 -0.023 0.000 0.743 405 K HN 0.167 nan 8.250 nan 0.000 0.458 406 L N 0.017 121.193 121.223 -0.078 0.000 2.141 406 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 406 L C 1.962 178.793 176.870 -0.066 0.000 1.094 406 L CA 0.502 55.296 54.840 -0.076 0.000 0.763 406 L CB -0.297 41.690 42.059 -0.120 0.000 0.908 406 L HN 0.168 nan 8.230 nan 0.000 0.437 407 L N 0.019 121.186 121.223 -0.092 0.000 2.156 407 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 407 L C 2.639 179.503 176.870 -0.009 0.000 1.095 407 L CA 1.610 56.416 54.840 -0.057 0.000 0.770 407 L CB -0.632 41.399 42.059 -0.048 0.000 0.914 407 L HN 0.126 nan 8.230 nan 0.000 0.439 408 A N 0.832 123.654 122.820 0.002 0.000 1.873 408 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 408 A C -0.037 177.566 177.584 0.032 0.000 1.193 408 A CA 2.165 54.215 52.037 0.021 0.000 0.629 408 A CB -2.220 16.792 19.000 0.020 0.000 0.826 408 A HN 0.445 nan 8.150 nan 0.000 0.447 409 P HA -0.171 nan 4.420 nan 0.000 0.216 409 P C 1.586 178.956 177.300 0.116 0.000 1.153 409 P CA 1.719 64.866 63.100 0.077 0.000 0.858 409 P CB -0.395 31.358 31.700 0.089 0.000 0.789 410 L N -1.972 119.298 121.223 0.079 0.000 2.156 410 L HA 0.144 4.484 4.340 -0.001 0.000 0.208 410 L C 2.429 179.290 176.870 -0.016 0.000 1.095 410 L CA 2.089 56.924 54.840 -0.008 0.000 0.770 410 L CB -2.203 39.727 42.059 -0.215 0.000 0.914 410 L HN -0.152 nan 8.230 nan 0.000 0.439 411 A N 1.530 124.352 122.820 0.003 0.000 1.933 411 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 411 A C 2.354 179.951 177.584 0.022 0.000 1.175 411 A CA 1.950 53.993 52.037 0.009 0.000 0.628 411 A CB -0.636 18.375 19.000 0.019 0.000 0.814 411 A HN 0.723 nan 8.150 nan 0.000 0.444 412 K N -1.056 119.365 120.400 0.036 0.000 2.288 412 K HA -0.058 4.262 4.320 -0.001 0.000 0.201 412 K C 0.511 177.140 176.600 0.049 0.000 1.048 412 K CA 1.384 57.694 56.287 0.039 0.000 0.956 412 K CB -0.153 32.370 32.500 0.038 0.000 0.746 412 K HN 0.146 nan 8.250 nan 0.000 0.461 413 D N 0.571 121.014 120.400 0.072 0.000 2.349 413 D HA 0.048 4.687 4.640 -0.001 0.000 0.224 413 D C 0.920 177.255 176.300 0.058 0.000 1.029 413 D CA 0.994 55.053 54.000 0.097 0.000 0.879 413 D CB 0.561 41.495 40.800 0.223 0.000 0.906 413 D HN 0.537 nan 8.370 nan 0.000 0.528 414 G N 0.473 109.290 108.800 0.027 0.000 2.143 414 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.249 414 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.249 414 G C 1.050 175.947 174.900 -0.005 0.000 0.981 414 G CA 0.393 45.501 45.100 0.012 0.000 0.665 414 G HN 0.292 nan 8.290 nan 0.000 0.528 415 L N -0.092 121.112 121.223 -0.032 0.000 2.093 415 L HA 0.315 4.654 4.340 -0.001 0.000 0.208 415 L C 1.692 178.541 176.870 -0.035 0.000 1.085 415 L CA 2.233 57.034 54.840 -0.065 0.000 0.755 415 L CB -0.240 41.716 42.059 -0.171 0.000 0.904 415 L HN 0.941 nan 8.230 nan 0.000 0.435 416 V N -5.148 114.749 119.914 -0.028 0.000 2.971 416 V HA 0.564 4.683 4.120 -0.001 0.000 0.309 416 V C -1.371 174.716 176.094 -0.012 0.000 1.130 416 V CA -1.134 61.157 62.300 -0.015 0.000 0.964 416 V CB 2.284 34.099 31.823 -0.012 0.000 1.029 416 V HN -0.129 nan 8.190 nan 0.000 0.427 417 D N 2.485 122.874 120.400 -0.018 0.000 2.232 417 D HA 0.622 5.261 4.640 -0.001 0.000 0.242 417 D C -0.423 175.855 176.300 -0.037 0.000 1.093 417 D CA 0.128 54.115 54.000 -0.023 0.000 0.845 417 D CB 2.054 42.837 40.800 -0.029 0.000 1.124 417 D HN 0.829 nan 8.370 nan 0.000 0.467 418 V N 1.677 121.578 119.914 -0.022 0.000 2.876 418 V HA 0.701 4.820 4.120 -0.001 0.000 0.312 418 V C -1.620 174.466 176.094 -0.013 0.000 1.085 418 V CA -0.554 61.731 62.300 -0.025 0.000 0.945 418 V CB 2.397 34.243 31.823 0.037 0.000 1.017 418 V HN 0.665 nan 8.190 nan 0.000 0.428 419 D N 3.009 123.387 120.400 -0.036 0.000 3.009 419 D HA 0.307 4.946 4.640 -0.001 0.000 0.318 419 D C 0.522 176.861 176.300 0.065 0.000 1.273 419 D CA 0.137 54.138 54.000 0.003 0.000 1.001 419 D CB 0.407 41.188 40.800 -0.031 0.000 1.411 419 D HN 0.478 nan 8.370 nan 0.000 0.577 420 E N 0.114 120.360 120.200 0.078 0.000 2.347 420 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 420 E C 1.193 177.896 176.600 0.172 0.000 1.008 420 E CA 1.018 57.514 56.400 0.160 0.000 0.852 420 E CB -0.147 29.617 29.700 0.107 0.000 0.783 420 E HN 0.673 nan 8.360 nan 0.000 0.505 421 K N 0.380 120.749 120.400 -0.052 0.000 2.348 421 K HA 0.296 4.615 4.320 -0.001 0.000 0.194 421 K C 0.815 176.964 176.600 -0.751 0.000 1.052 421 K CA 0.590 56.765 56.287 -0.186 0.000 1.004 421 K CB 0.918 33.340 32.500 -0.130 0.000 0.873 421 K HN 0.091 nan 8.250 nan 0.000 0.523 422 G N 0.439 108.530 108.800 -1.183 0.000 2.321 422 G HA2 0.406 4.365 3.960 -0.001 0.000 0.296 422 G HA3 0.406 4.365 3.960 -0.001 0.000 0.296 422 G C -1.943 172.476 174.900 -0.802 0.000 1.287 422 G CA -1.052 43.189 45.100 -1.432 0.000 0.846 422 G HN 0.053 nan 8.290 nan 0.000 0.508 423 I N 0.200 120.463 120.570 -0.511 0.000 2.545 423 I HA 0.506 4.675 4.170 -0.001 0.000 0.292 423 I C -0.639 175.377 176.117 -0.170 0.000 1.040 423 I CA -0.764 60.400 61.300 -0.227 0.000 1.068 423 I CB 2.407 40.344 38.000 -0.105 0.000 1.251 423 I HN 0.433 nan 8.210 nan 0.000 0.424 424 Q N 5.237 124.973 119.800 -0.107 0.000 2.331 424 Q HA 0.491 4.830 4.340 -0.001 0.000 0.267 424 Q C -1.455 174.531 176.000 -0.023 0.000 1.006 424 Q CA -0.602 55.162 55.803 -0.066 0.000 0.818 424 Q CB 1.913 30.613 28.738 -0.063 0.000 1.276 424 Q HN 0.474 nan 8.270 nan 0.000 0.450 425 V N 4.159 124.083 119.914 0.018 0.000 2.555 425 V HA 0.323 4.442 4.120 -0.001 0.000 0.286 425 V C 0.681 176.807 176.094 0.054 0.000 1.044 425 V CA 0.023 62.361 62.300 0.064 0.000 1.026 425 V CB 0.637 32.566 31.823 0.177 0.000 0.981 425 V HN 0.996 nan 8.190 nan 0.000 0.480 426 T N 2.331 116.903 114.554 0.029 0.000 2.847 426 T HA 0.525 4.875 4.350 -0.001 0.000 0.279 426 T C 1.421 176.126 174.700 0.009 0.000 0.984 426 T CA -0.033 62.073 62.100 0.010 0.000 0.988 426 T CB 1.464 70.334 68.868 0.003 0.000 1.040 426 T HN 0.755 nan 8.240 nan 0.000 0.528 427 A N 0.968 123.787 122.820 -0.002 0.000 1.917 427 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 427 A C 2.351 179.948 177.584 0.022 0.000 1.182 427 A CA 1.868 53.906 52.037 0.001 0.000 0.633 427 A CB -0.955 18.051 19.000 0.011 0.000 0.819 427 A HN 0.926 nan 8.150 nan 0.000 0.448 428 K N -1.205 119.206 120.400 0.018 0.000 2.097 428 K HA -0.067 4.252 4.320 -0.001 0.000 0.205 428 K C 1.935 178.534 176.600 -0.001 0.000 1.050 428 K CA 1.013 57.304 56.287 0.007 0.000 0.938 428 K CB -0.330 32.170 32.500 0.001 0.000 0.718 428 K HN 0.479 nan 8.250 nan 0.000 0.442 429 G N 0.706 109.511 108.800 0.010 0.000 2.712 429 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.212 429 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.212 429 G C 1.238 176.191 174.900 0.088 0.000 1.142 429 G CA -0.111 44.996 45.100 0.011 0.000 0.789 429 G HN 0.160 nan 8.290 nan 0.000 0.535 430 R N -0.419 120.154 120.500 0.122 0.000 2.081 430 R HA 0.029 4.368 4.340 -0.001 0.000 0.235 430 R C 2.368 178.849 176.300 0.302 0.000 1.131 430 R CA 0.967 57.209 56.100 0.236 0.000 0.960 430 R CB -0.464 29.793 30.300 -0.071 0.000 0.856 430 R HN 0.374 nan 8.270 nan 0.000 0.436 431 L N 0.983 122.337 121.223 0.218 0.000 2.191 431 L HA -0.094 4.246 4.340 -0.001 0.000 0.212 431 L C 1.149 178.112 176.870 0.154 0.000 1.103 431 L CA 1.189 56.163 54.840 0.223 0.000 0.769 431 L CB 0.136 42.257 42.059 0.102 0.000 0.908 431 L HN 0.158 nan 8.230 nan 0.000 0.438 432 L N -0.610 120.666 121.223 0.089 0.000 2.912 432 L HA 0.070 4.409 4.340 -0.001 0.000 0.240 432 L C 1.458 178.338 176.870 0.016 0.000 1.262 432 L CA -0.440 54.417 54.840 0.027 0.000 1.058 432 L CB 0.338 42.359 42.059 -0.064 0.000 1.383 432 L HN 0.182 nan 8.230 nan 0.000 0.512 433 I N 0.485 121.099 120.570 0.074 0.000 2.286 433 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 433 I C 2.557 178.655 176.117 -0.032 0.000 1.115 433 I CA 1.649 62.950 61.300 0.002 0.000 1.392 433 I CB -0.054 37.925 38.000 -0.034 0.000 1.065 433 I HN 0.267 nan 8.210 nan 0.000 0.418 434 R N 0.203 120.712 120.500 0.015 0.000 2.096 434 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 434 R C 1.974 178.282 176.300 0.013 0.000 1.127 434 R CA 1.855 57.967 56.100 0.020 0.000 0.968 434 R CB -0.687 29.649 30.300 0.061 0.000 0.861 434 R HN 0.453 nan 8.270 nan 0.000 0.440 435 N N 0.703 119.405 118.700 0.004 0.000 2.069 435 N HA -0.168 4.572 4.740 -0.001 0.000 0.191 435 N C 1.692 177.176 175.510 -0.043 0.000 1.031 435 N CA 1.425 54.463 53.050 -0.020 0.000 0.852 435 N CB -0.226 38.208 38.487 -0.090 0.000 1.018 435 N HN 0.148 nan 8.380 nan 0.000 0.423 436 I N 0.207 120.742 120.570 -0.059 0.000 2.179 436 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 436 I C 1.842 177.991 176.117 0.054 0.000 1.088 436 I CA 0.822 62.106 61.300 -0.026 0.000 1.357 436 I CB -0.297 37.681 38.000 -0.037 0.000 1.051 436 I HN 0.283 nan 8.210 nan 0.000 0.409 437 C N 0.044 119.351 119.300 0.013 0.000 2.422 437 C HA -0.184 4.275 4.460 -0.001 0.000 0.279 437 C C 2.838 177.875 174.990 0.078 0.000 1.305 437 C CA 0.686 59.718 59.018 0.024 0.000 1.757 437 C CB -0.811 26.867 27.740 -0.103 0.000 1.962 437 C HN 0.515 nan 8.230 nan 0.000 0.499 438 M N -0.102 119.525 119.600 0.045 0.000 2.267 438 M HA -0.170 4.310 4.480 -0.001 0.000 0.263 438 M C 1.948 178.256 176.300 0.014 0.000 1.063 438 M CA 1.470 56.798 55.300 0.048 0.000 1.090 438 M CB -0.337 32.288 32.600 0.042 0.000 1.392 438 M HN 0.496 nan 8.290 nan 0.000 0.422 439 C N -0.342 118.934 119.300 -0.039 0.000 2.419 439 C HA -0.107 4.352 4.460 -0.001 0.000 0.283 439 C C 1.847 176.598 174.990 -0.399 0.000 1.373 439 C CA 0.565 59.447 59.018 -0.226 0.000 1.781 439 C CB -1.487 26.047 27.740 -0.343 0.000 1.886 439 C HN 0.511 nan 8.230 nan 0.000 0.520 440 F N -0.204 119.710 119.950 -0.060 0.000 2.695 440 F HA 0.207 4.733 4.527 -0.001 0.000 0.303 440 F C 0.776 176.535 175.800 -0.069 0.000 1.091 440 F CA 0.057 58.011 58.000 -0.076 0.000 1.300 440 F CB -0.143 38.749 39.000 -0.180 0.000 1.071 440 F HN 0.068 nan 8.300 nan 0.000 0.578 441 D N 0.533 121.000 120.400 0.112 0.000 2.347 441 D HA 0.057 4.696 4.640 -0.001 0.000 0.235 441 D C 1.307 177.721 176.300 0.191 0.000 1.149 441 D CA 0.169 54.313 54.000 0.242 0.000 0.850 441 D CB 1.324 42.292 40.800 0.280 0.000 1.061 441 D HN 0.186 nan 8.370 nan 0.000 0.487 442 T N 1.240 115.897 114.554 0.172 0.000 3.023 442 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 442 T C 1.640 176.236 174.700 -0.174 0.000 1.093 442 T CA 0.693 62.746 62.100 -0.078 0.000 1.129 442 T CB -0.415 68.320 68.868 -0.221 0.000 0.899 442 T HN 0.371 nan 8.240 nan 0.000 0.491 443 Y N 1.403 121.769 120.300 0.112 0.000 2.352 443 Y HA 0.215 4.765 4.550 -0.001 0.000 0.292 443 Y C 1.789 177.707 175.900 0.030 0.000 1.136 443 Y CA -0.380 57.747 58.100 0.044 0.000 1.227 443 Y CB -0.521 37.942 38.460 0.005 0.000 0.991 443 Y HN 0.121 nan 8.280 nan 0.000 0.545 444 L N 0.000 121.313 121.223 0.149 0.000 2.949 444 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 444 L CA 0.000 54.886 54.840 0.076 0.000 0.813 444 L CB 0.000 42.094 42.059 0.058 0.000 0.961 444 L HN 0.000 nan 8.230 nan 0.000 0.502