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 2jh3_1_D DATA FIRST_RESID -1 DATA SEQUENCE GALRSLVLIG HGSHHHGESA RATQQVAEAL RGRGLAGHLP YDEVLEGYWQ DATA SEQUENCE QEPGLRQVLR TVAYSDVTVV PVFLSEGYVT ETVLPRELGL GHQGPVPTGG DATA SEQUENCE VVRVLGGRRV RYTRPLGAHP GMADAIAAQA RDTLPEGTDP ADVTLLLLAA DATA SEQUENCE RPGNAALETH AQALRERGQF AGVEVVLESX XXXXXXXXXX XAVPLSEWPS DATA SEQUENCE RVEAGQAVLV PFLTHLGKHA AERLQQALAQ AAERFPQAPP LHVGGPVGEH DATA SEQUENCE PAVAEVVLAL AAEGREDERG GDIDQAHAEA WAALRHLAER GGRLGEVLLT DATA SEQUENCE PYGGLFELRH TLDEGRATLD LQTVVTPEGL RDLTARDEAG RWRPIRTWRT DATA SEQUENCE LPRGWRAVLS PADLRLGLEL LYPAVIEESY AHEHRRLHWT PWMSTARRQT DATA SEQUENCE GTLARVQRAT PDQVDTVAAQ VCASCLRTRL WAGHTLGQTI FSGVPGGLPC DATA SEQUENCE AEACTVLLAA VRDEVGRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -1 G C 0.000 174.835 174.900 -0.108 0.000 0.946 -1 G CA 0.000 45.055 45.100 -0.076 0.000 0.502 0 A N -1.015 121.746 122.820 -0.098 0.000 2.251 0 A HA -0.052 4.268 4.320 0.000 0.000 0.283 0 A C -0.068 177.407 177.584 -0.182 0.000 1.415 0 A CA 1.392 53.360 52.037 -0.116 0.000 0.742 0 A CB -2.016 16.923 19.000 -0.101 0.000 1.151 0 A HN 1.438 nan 8.150 nan 0.000 0.354 1 L N 1.050 122.135 121.223 -0.229 0.000 2.333 1 L HA 0.692 5.032 4.340 0.000 0.000 0.280 1 L C 0.622 177.328 176.870 -0.273 0.000 1.004 1 L CA -0.466 54.109 54.840 -0.442 0.000 0.820 1 L CB 1.783 43.357 42.059 -0.808 0.000 1.247 1 L HN 0.587 nan 8.230 nan 0.000 0.416 2 R N 1.660 122.047 120.500 -0.190 0.000 2.750 2 R HA 0.677 5.017 4.340 0.000 0.000 0.281 2 R C -1.073 175.417 176.300 0.317 0.000 0.972 2 R CA -0.755 55.395 56.100 0.083 0.000 0.912 2 R CB 2.451 32.772 30.300 0.035 0.000 1.187 2 R HN 0.463 nan 8.270 nan 0.000 0.464 3 S N 1.834 117.746 115.700 0.354 0.000 2.454 3 S HA 0.419 4.889 4.470 0.000 0.000 0.306 3 S C -1.170 173.477 174.600 0.078 0.000 1.100 3 S CA -0.690 57.662 58.200 0.253 0.000 1.087 3 S CB 1.365 64.645 63.200 0.133 0.000 1.019 3 S HN 0.327 nan 8.310 nan 0.000 0.480 4 L N 4.381 125.522 121.223 -0.136 0.000 2.317 4 L HA 0.739 5.079 4.340 0.000 0.000 0.281 4 L C -1.196 175.556 176.870 -0.197 0.000 1.024 4 L CA -0.337 54.262 54.840 -0.402 0.000 0.810 4 L CB 1.384 42.945 42.059 -0.831 0.000 1.240 4 L HN 0.445 nan 8.230 nan 0.000 0.427 5 V N 6.157 125.973 119.914 -0.164 0.000 2.531 5 V HA 0.472 4.592 4.120 0.000 0.000 0.301 5 V C -0.313 175.716 176.094 -0.109 0.000 1.034 5 V CA -0.617 61.618 62.300 -0.108 0.000 0.865 5 V CB 1.678 33.462 31.823 -0.065 0.000 0.995 5 V HN 0.594 nan 8.190 nan 0.000 0.424 6 L N 5.483 126.639 121.223 -0.112 0.000 2.307 6 L HA 0.614 4.954 4.340 0.000 0.000 0.284 6 L C -0.863 175.927 176.870 -0.134 0.000 1.023 6 L CA -0.628 54.150 54.840 -0.104 0.000 0.810 6 L CB 1.784 43.783 42.059 -0.099 0.000 1.231 6 L HN 0.388 nan 8.230 nan 0.000 0.423 7 I N 2.437 122.977 120.570 -0.050 0.000 2.362 7 I HA 0.506 4.676 4.170 0.000 0.000 0.289 7 I C 0.577 176.752 176.117 0.097 0.000 0.994 7 I CA -0.115 61.173 61.300 -0.020 0.000 1.158 7 I CB 1.375 39.448 38.000 0.121 0.000 1.315 7 I HN 0.613 nan 8.210 nan 0.000 0.451 8 G N 3.134 111.865 108.800 -0.114 0.000 2.537 8 G HA2 0.331 4.291 3.960 0.000 0.000 0.323 8 G HA3 0.331 4.291 3.960 0.000 0.000 0.323 8 G C 0.462 175.527 174.900 0.274 0.000 1.207 8 G CA -0.283 44.813 45.100 -0.007 0.000 0.976 8 G HN 0.725 nan 8.290 nan 0.000 0.487 9 H N -0.302 118.764 119.070 -0.007 0.000 2.326 9 H HA 0.256 4.812 4.556 0.000 0.000 0.301 9 H C 1.730 177.248 175.328 0.317 0.000 1.081 9 H CA 2.090 58.311 56.048 0.289 0.000 1.334 9 H CB -0.180 29.648 29.762 0.110 0.000 1.385 9 H HN 1.164 nan 8.280 nan 0.000 0.504 10 G N -0.473 108.564 108.800 0.395 0.000 2.796 10 G HA2 -0.127 3.833 3.960 0.000 0.000 0.226 10 G HA3 -0.127 3.833 3.960 0.000 0.000 0.226 10 G C -0.610 174.341 174.900 0.086 0.000 1.381 10 G CA 0.053 45.256 45.100 0.172 0.000 0.867 10 G HN 0.737 nan 8.290 nan 0.000 0.552 11 S N -2.115 113.581 115.700 -0.006 0.000 2.552 11 S HA 0.595 5.065 4.470 0.000 0.000 0.272 11 S C 0.495 175.110 174.600 0.024 0.000 1.150 11 S CA 0.190 58.330 58.200 -0.100 0.000 0.849 11 S CB 1.214 64.273 63.200 -0.236 0.000 1.113 11 S HN 0.873 nan 8.310 nan 0.000 0.458 12 H N 2.032 121.001 119.070 -0.169 0.000 2.470 12 H HA 0.229 4.785 4.556 0.000 0.000 0.289 12 H C 1.189 176.170 175.328 -0.577 0.000 1.033 12 H CA 1.450 57.277 56.048 -0.368 0.000 1.331 12 H CB 0.122 29.579 29.762 -0.508 0.000 1.414 12 H HN 0.576 nan 8.280 nan 0.000 0.545 13 H N -1.396 117.589 119.070 -0.140 0.000 3.205 13 H HA 0.159 4.715 4.556 0.000 0.000 0.252 13 H C -0.057 174.862 175.328 -0.681 0.000 1.015 13 H CA 0.069 55.870 56.048 -0.413 0.000 1.192 13 H CB 1.216 30.599 29.762 -0.631 0.000 1.474 13 H HN 0.246 nan 8.280 nan 0.000 0.484 14 H N -0.359 118.476 119.070 -0.392 0.000 2.529 14 H HA 0.254 4.810 4.556 0.000 0.000 0.348 14 H C 1.073 175.704 175.328 -1.161 0.000 1.079 14 H CA -0.183 55.521 56.048 -0.572 0.000 1.198 14 H CB 1.886 31.431 29.762 -0.361 0.000 1.521 14 H HN 0.277 nan 8.280 nan 0.000 0.514 15 G N 1.860 110.000 108.800 -1.101 0.000 2.572 15 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 15 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 15 G C 0.937 175.371 174.900 -0.777 0.000 1.133 15 G CA 0.190 44.366 45.100 -1.540 0.000 0.791 15 G HN 0.458 nan 8.290 nan 0.000 0.538 16 E N 1.042 120.923 120.200 -0.533 0.000 2.152 16 E HA -0.017 4.334 4.350 0.000 0.000 0.192 16 E C 2.473 178.739 176.600 -0.555 0.000 0.983 16 E CA 1.003 57.167 56.400 -0.393 0.000 0.818 16 E CB -0.124 29.422 29.700 -0.256 0.000 0.758 16 E HN 0.303 nan 8.360 nan 0.000 0.467 17 S N 0.251 115.499 115.700 -0.752 0.000 2.603 17 S HA 0.122 4.592 4.470 0.000 0.000 0.229 17 S C 1.593 175.972 174.600 -0.368 0.000 0.972 17 S CA 0.610 58.279 58.200 -0.885 0.000 0.935 17 S CB 0.210 63.025 63.200 -0.641 0.000 0.769 17 S HN 0.367 nan 8.310 nan 0.000 0.536 18 A N 0.950 123.594 122.820 -0.293 0.000 2.259 18 A HA 0.342 4.662 4.320 0.000 0.000 0.213 18 A C 1.878 179.454 177.584 -0.013 0.000 1.209 18 A CA -0.165 51.810 52.037 -0.103 0.000 0.910 18 A CB -0.045 18.848 19.000 -0.179 0.000 0.946 18 A HN 0.324 nan 8.150 nan 0.000 0.497 19 R N 0.070 120.507 120.500 -0.105 0.000 2.073 19 R HA -0.015 4.325 4.340 0.000 0.000 0.229 19 R C 2.254 178.546 176.300 -0.013 0.000 1.120 19 R CA 1.356 57.428 56.100 -0.047 0.000 0.967 19 R CB -0.264 29.986 30.300 -0.082 0.000 0.862 19 R HN 0.419 nan 8.270 nan 0.000 0.436 20 A N -0.263 122.542 122.820 -0.025 0.000 1.908 20 A HA -0.175 4.146 4.320 0.000 0.000 0.218 20 A C 2.134 179.722 177.584 0.006 0.000 1.181 20 A CA 2.167 54.197 52.037 -0.012 0.000 0.627 20 A CB -0.916 18.070 19.000 -0.023 0.000 0.818 20 A HN 0.407 nan 8.150 nan 0.000 0.445 21 T N -0.248 114.331 114.554 0.041 0.000 2.812 21 T HA -0.128 4.222 4.350 0.000 0.000 0.264 21 T C 2.096 176.840 174.700 0.074 0.000 1.042 21 T CA 1.539 63.672 62.100 0.055 0.000 1.140 21 T CB -0.247 68.685 68.868 0.106 0.000 0.870 21 T HN 0.599 nan 8.240 nan 0.000 0.445 22 Q N 0.806 120.679 119.800 0.122 0.000 2.061 22 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 22 Q C 2.575 178.599 176.000 0.041 0.000 0.984 22 Q CA 1.444 57.305 55.803 0.097 0.000 0.846 22 Q CB -0.209 28.585 28.738 0.094 0.000 0.902 22 Q HN 0.618 nan 8.270 nan 0.000 0.421 23 Q N -0.168 119.646 119.800 0.023 0.000 2.030 23 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 23 Q C 2.286 178.283 176.000 -0.005 0.000 0.986 23 Q CA 1.853 57.656 55.803 0.001 0.000 0.843 23 Q CB -0.152 28.580 28.738 -0.011 0.000 0.904 23 Q HN 0.232 nan 8.270 nan 0.000 0.420 24 V N 1.077 120.987 119.914 -0.007 0.000 2.295 24 V HA -0.287 3.833 4.120 0.000 0.000 0.246 24 V C 2.335 178.421 176.094 -0.013 0.000 1.049 24 V CA 1.751 64.042 62.300 -0.015 0.000 1.024 24 V CB -1.279 30.530 31.823 -0.023 0.000 0.648 24 V HN 0.416 nan 8.190 nan 0.000 0.447 25 A N -0.036 122.779 122.820 -0.009 0.000 1.892 25 A HA -0.350 3.970 4.320 0.000 0.000 0.218 25 A C 2.323 179.907 177.584 -0.001 0.000 1.188 25 A CA 2.441 54.471 52.037 -0.010 0.000 0.631 25 A CB -0.644 18.356 19.000 -0.001 0.000 0.822 25 A HN 0.661 nan 8.150 nan 0.000 0.447 26 E N -0.383 119.819 120.200 0.005 0.000 2.077 26 E HA -0.096 4.254 4.350 0.000 0.000 0.193 26 E C 2.158 178.761 176.600 0.005 0.000 0.989 26 E CA 1.025 57.428 56.400 0.005 0.000 0.800 26 E CB -0.291 29.412 29.700 0.005 0.000 0.746 26 E HN 0.542 nan 8.360 nan 0.000 0.452 27 A N 1.151 123.971 122.820 -0.000 0.000 1.883 27 A HA -0.184 4.136 4.320 0.000 0.000 0.217 27 A C 2.212 179.803 177.584 0.012 0.000 1.186 27 A CA 1.379 53.416 52.037 -0.000 0.000 0.624 27 A CB -0.730 18.264 19.000 -0.011 0.000 0.822 27 A HN 0.335 nan 8.150 nan 0.000 0.444 28 L N -1.321 119.909 121.223 0.011 0.000 2.093 28 L HA -0.140 4.201 4.340 0.000 0.000 0.208 28 L C 2.815 179.709 176.870 0.040 0.000 1.085 28 L CA 1.143 55.999 54.840 0.026 0.000 0.755 28 L CB -0.439 41.627 42.059 0.011 0.000 0.904 28 L HN 0.360 nan 8.230 nan 0.000 0.435 29 R N -0.084 120.433 120.500 0.028 0.000 2.148 29 R HA -0.083 4.257 4.340 0.000 0.000 0.227 29 R C 2.359 178.681 176.300 0.036 0.000 1.103 29 R CA 1.021 57.140 56.100 0.033 0.000 0.983 29 R CB -0.584 29.729 30.300 0.020 0.000 0.874 29 R HN 0.414 nan 8.270 nan 0.000 0.451 30 G N 1.178 109.998 108.800 0.032 0.000 2.440 30 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 30 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 30 G C 1.450 176.385 174.900 0.057 0.000 1.154 30 G CA 0.554 45.676 45.100 0.036 0.000 0.767 30 G HN 0.268 nan 8.290 nan 0.000 0.552 31 R N -0.027 120.516 120.500 0.070 0.000 2.119 31 R HA 0.087 4.427 4.340 0.000 0.000 0.222 31 R C 2.869 179.227 176.300 0.096 0.000 1.088 31 R CA 0.773 56.942 56.100 0.115 0.000 0.984 31 R CB -0.422 29.947 30.300 0.114 0.000 0.884 31 R HN 0.337 nan 8.270 nan 0.000 0.447 32 G N 1.144 109.983 108.800 0.065 0.000 2.422 32 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 32 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 32 G C 1.357 176.268 174.900 0.018 0.000 1.146 32 G CA 0.469 45.591 45.100 0.038 0.000 0.769 32 G HN 0.083 nan 8.290 nan 0.000 0.547 33 L N 0.684 121.926 121.223 0.031 0.000 1.961 33 L HA -0.113 4.228 4.340 0.000 0.000 0.210 33 L C 3.408 180.291 176.870 0.022 0.000 1.072 33 L CA 1.340 56.195 54.840 0.025 0.000 0.749 33 L CB -0.818 41.260 42.059 0.032 0.000 0.889 33 L HN 0.315 nan 8.230 nan 0.000 0.432 34 A N -0.365 122.494 122.820 0.066 0.000 2.148 34 A HA -0.133 4.187 4.320 0.000 0.000 0.222 34 A C 1.742 179.295 177.584 -0.051 0.000 1.161 34 A CA 1.615 53.725 52.037 0.122 0.000 0.662 34 A CB -0.909 18.268 19.000 0.294 0.000 0.799 34 A HN 0.790 nan 8.150 nan 0.000 0.466 35 G N -2.904 105.795 108.800 -0.168 0.000 2.134 35 G HA2 -0.208 3.752 3.960 0.000 0.000 0.209 35 G HA3 -0.208 3.752 3.960 0.000 0.000 0.209 35 G C -0.010 174.525 174.900 -0.608 0.000 0.993 35 G CA 0.440 45.311 45.100 -0.381 0.000 0.669 35 G HN 0.849 nan 8.290 nan 0.000 0.519 36 H N -1.227 117.843 119.070 0.001 0.000 2.534 36 H HA 0.626 5.182 4.556 0.000 0.000 0.250 36 H C -0.228 175.106 175.328 0.010 0.000 1.256 36 H CA -0.425 55.624 56.048 0.001 0.000 1.000 36 H CB 0.895 30.660 29.762 0.004 0.000 1.801 36 H HN 0.307 nan 8.280 nan 0.000 0.569 37 L N 1.571 122.824 121.223 0.049 0.000 2.438 37 L HA 0.427 4.767 4.340 0.000 0.000 0.270 37 L C -1.978 174.879 176.870 -0.021 0.000 0.972 37 L CA -2.024 52.856 54.840 0.068 0.000 0.831 37 L CB 1.834 43.957 42.059 0.107 0.000 1.273 37 L HN -0.069 nan 8.230 nan 0.000 0.405 38 P HA 0.037 nan 4.420 nan 0.000 0.259 38 P C -1.267 175.577 177.300 -0.761 0.000 1.307 38 P CA 0.796 63.664 63.100 -0.387 0.000 0.768 38 P CB -0.461 30.968 31.700 -0.452 0.000 1.199 39 Y N -1.223 119.063 120.300 -0.024 0.000 2.492 39 Y HA 0.222 4.772 4.550 0.000 0.000 0.346 39 Y C 0.895 176.785 175.900 -0.017 0.000 0.997 39 Y CA -0.867 57.223 58.100 -0.017 0.000 1.025 39 Y CB 1.495 39.958 38.460 0.004 0.000 1.263 39 Y HN -0.300 nan 8.280 nan 0.000 0.454 40 D N 0.473 120.944 120.400 0.118 0.000 2.348 40 D HA 0.015 4.655 4.640 0.000 0.000 0.211 40 D C -0.207 176.217 176.300 0.206 0.000 0.998 40 D CA 0.615 54.663 54.000 0.080 0.000 0.873 40 D CB 0.490 41.206 40.800 -0.140 0.000 0.925 40 D HN 0.635 nan 8.370 nan 0.000 0.524 41 E N -1.230 119.108 120.200 0.230 0.000 2.388 41 E HA 0.413 4.763 4.350 0.000 0.000 0.281 41 E C -1.774 174.872 176.600 0.078 0.000 1.046 41 E CA -0.955 55.527 56.400 0.138 0.000 0.825 41 E CB 1.419 31.184 29.700 0.107 0.000 1.243 41 E HN -0.218 nan 8.360 nan 0.000 0.438 42 V N 2.537 122.460 119.914 0.016 0.000 2.525 42 V HA 0.466 4.586 4.120 0.000 0.000 0.299 42 V C -0.316 175.756 176.094 -0.036 0.000 1.034 42 V CA -0.557 61.722 62.300 -0.034 0.000 0.863 42 V CB 1.079 32.880 31.823 -0.037 0.000 0.999 42 V HN 0.613 nan 8.190 nan 0.000 0.423 43 L N 3.320 124.512 121.223 -0.052 0.000 2.271 43 L HA 0.750 5.090 4.340 0.000 0.000 0.265 43 L C -0.283 176.555 176.870 -0.053 0.000 1.013 43 L CA -0.786 54.031 54.840 -0.039 0.000 0.820 43 L CB 2.447 44.482 42.059 -0.040 0.000 1.352 43 L HN 0.564 nan 8.230 nan 0.000 0.443 44 E N -0.622 119.556 120.200 -0.037 0.000 2.293 44 E HA 0.662 5.013 4.350 0.000 0.000 0.270 44 E C -0.922 175.595 176.600 -0.139 0.000 0.879 44 E CA -0.636 55.700 56.400 -0.107 0.000 0.756 44 E CB 2.633 32.351 29.700 0.030 0.000 1.208 44 E HN 0.721 nan 8.360 nan 0.000 0.428 45 G N 1.371 109.957 108.800 -0.358 0.000 2.696 45 G HA2 0.603 4.563 3.960 0.000 0.000 0.295 45 G HA3 0.603 4.563 3.960 0.000 0.000 0.295 45 G C -1.885 172.698 174.900 -0.529 0.000 1.398 45 G CA -0.368 44.584 45.100 -0.247 0.000 0.920 45 G HN 0.336 nan 8.290 nan 0.000 0.492 46 Y N -0.687 119.695 120.300 0.136 0.000 2.553 46 Y HA 0.392 4.942 4.550 0.000 0.000 0.347 46 Y C 0.261 176.302 175.900 0.236 0.000 1.019 46 Y CA -0.880 57.328 58.100 0.180 0.000 1.032 46 Y CB 2.102 40.649 38.460 0.145 0.000 1.284 46 Y HN 0.681 nan 8.280 nan 0.000 0.466 47 W N 1.374 122.778 121.300 0.173 0.000 2.408 47 W HA -0.058 4.603 4.660 0.001 0.000 0.311 47 W C 1.032 177.587 176.519 0.060 0.000 1.190 47 W CA 1.740 59.114 57.345 0.048 0.000 1.321 47 W CB 0.152 29.562 29.460 -0.082 0.000 1.143 47 W HN 0.487 nan 8.180 nan 0.000 0.501 48 Q N 0.432 120.265 119.800 0.054 0.000 2.198 48 Q HA 0.129 4.469 4.340 0.000 0.000 0.209 48 Q C -0.196 175.835 176.000 0.052 0.000 0.848 48 Q CA 0.278 55.969 55.803 -0.187 0.000 0.974 48 Q CB 0.389 28.872 28.738 -0.425 0.000 1.115 48 Q HN 0.580 nan 8.270 nan 0.000 0.494 49 Q N -1.452 118.432 119.800 0.139 0.000 2.575 49 Q HA 0.433 4.773 4.340 0.000 0.000 0.290 49 Q C -1.199 174.871 176.000 0.116 0.000 0.963 49 Q CA -0.774 55.082 55.803 0.088 0.000 0.783 49 Q CB 1.231 29.991 28.738 0.036 0.000 1.467 49 Q HN -0.081 nan 8.270 nan 0.000 0.402 50 E N 1.766 121.986 120.200 0.033 0.000 2.354 50 E HA 0.270 4.620 4.350 0.000 0.000 0.269 50 E C -2.206 174.467 176.600 0.123 0.000 1.036 50 E CA -1.844 54.605 56.400 0.082 0.000 0.876 50 E CB 0.548 30.267 29.700 0.030 0.000 1.009 50 E HN 0.365 nan 8.360 nan 0.000 0.416 51 P HA 0.077 nan 4.420 nan 0.000 0.276 51 P C -0.254 177.178 177.300 0.219 0.000 1.243 51 P CA -0.152 63.068 63.100 0.200 0.000 0.768 51 P CB 0.927 32.735 31.700 0.179 0.000 0.856 52 G N 2.288 111.185 108.800 0.162 0.000 2.528 52 G HA2 0.292 4.252 3.960 0.000 0.000 0.289 52 G HA3 0.292 4.252 3.960 0.000 0.000 0.289 52 G C 1.074 176.046 174.900 0.121 0.000 1.192 52 G CA -0.839 44.359 45.100 0.163 0.000 0.921 52 G HN 0.393 nan 8.290 nan 0.000 0.512 53 L N -0.061 121.233 121.223 0.119 0.000 2.042 53 L HA -0.101 4.239 4.340 0.000 0.000 0.210 53 L C 2.955 179.842 176.870 0.029 0.000 1.076 53 L CA 0.971 55.842 54.840 0.052 0.000 0.749 53 L CB -0.268 41.805 42.059 0.023 0.000 0.893 53 L HN 0.414 nan 8.230 nan 0.000 0.432 54 R N 0.086 120.613 120.500 0.046 0.000 2.276 54 R HA -0.053 4.287 4.340 0.000 0.000 0.203 54 R C 1.883 178.217 176.300 0.057 0.000 1.017 54 R CA 0.695 56.818 56.100 0.038 0.000 1.010 54 R CB -0.055 30.266 30.300 0.035 0.000 0.900 54 R HN 0.601 nan 8.270 nan 0.000 0.469 55 Q N -0.486 119.357 119.800 0.073 0.000 2.396 55 Q HA 0.078 4.418 4.340 0.000 0.000 0.220 55 Q C 2.014 178.066 176.000 0.087 0.000 0.900 55 Q CA 0.127 55.984 55.803 0.090 0.000 0.925 55 Q CB 0.164 28.965 28.738 0.104 0.000 1.065 55 Q HN -0.001 nan 8.270 nan 0.000 0.535 56 V N 1.500 121.454 119.914 0.067 0.000 2.295 56 V HA -0.235 3.885 4.120 0.000 0.000 0.246 56 V C 1.946 178.066 176.094 0.044 0.000 1.049 56 V CA 1.627 63.959 62.300 0.054 0.000 1.024 56 V CB -0.273 31.566 31.823 0.026 0.000 0.648 56 V HN 0.362 nan 8.190 nan 0.000 0.447 57 L N 0.602 121.844 121.223 0.031 0.000 2.127 57 L HA -0.191 4.150 4.340 0.000 0.000 0.211 57 L C 2.742 179.637 176.870 0.042 0.000 1.089 57 L CA 2.197 57.050 54.840 0.021 0.000 0.757 57 L CB -0.737 41.329 42.059 0.011 0.000 0.899 57 L HN 0.477 nan 8.230 nan 0.000 0.434 58 R N 0.270 120.820 120.500 0.083 0.000 2.235 58 R HA -0.102 4.238 4.340 0.000 0.000 0.213 58 R C 1.883 178.312 176.300 0.214 0.000 1.059 58 R CA 1.485 57.665 56.100 0.133 0.000 0.997 58 R CB -0.602 29.786 30.300 0.147 0.000 0.884 58 R HN 0.367 nan 8.270 nan 0.000 0.462 59 T N -1.474 113.187 114.554 0.179 0.000 3.113 59 T HA 0.081 4.431 4.350 0.000 0.000 0.256 59 T C 0.787 175.489 174.700 0.003 0.000 1.131 59 T CA 0.141 62.389 62.100 0.246 0.000 1.074 59 T CB 0.046 69.037 68.868 0.204 0.000 0.944 59 T HN 0.136 nan 8.240 nan 0.000 0.516 60 V N 1.145 120.979 119.914 -0.133 0.000 2.530 60 V HA 0.747 4.868 4.120 0.000 0.000 0.282 60 V C 1.308 176.978 176.094 -0.706 0.000 1.048 60 V CA -0.109 61.994 62.300 -0.328 0.000 0.997 60 V CB 0.449 32.176 31.823 -0.160 0.000 0.987 60 V HN 0.378 nan 8.190 nan 0.000 0.477 61 A N 5.099 127.331 122.820 -0.979 0.000 2.021 61 A HA 0.266 4.586 4.320 0.000 0.000 0.216 61 A C 0.646 177.683 177.584 -0.911 0.000 1.163 61 A CA 0.731 51.990 52.037 -1.298 0.000 0.676 61 A CB -0.244 17.917 19.000 -1.398 0.000 0.818 61 A HN 0.898 nan 8.150 nan 0.000 0.453 62 Y N -1.160 119.051 120.300 -0.148 0.000 2.631 62 Y HA 0.435 4.985 4.550 0.000 0.000 0.328 62 Y C 1.537 177.414 175.900 -0.038 0.000 1.118 62 Y CA -1.008 57.056 58.100 -0.061 0.000 1.206 62 Y CB 1.070 39.510 38.460 -0.033 0.000 1.337 62 Y HN 0.065 nan 8.280 nan 0.000 0.515 63 S N -1.816 113.985 115.700 0.168 0.000 2.535 63 S HA 0.109 4.579 4.470 0.000 0.000 0.214 63 S C -0.231 174.413 174.600 0.074 0.000 0.980 63 S CA 0.059 58.310 58.200 0.084 0.000 0.907 63 S CB -0.162 63.078 63.200 0.067 0.000 0.790 63 S HN 0.644 nan 8.310 nan 0.000 0.510 64 D N 0.814 121.273 120.400 0.099 0.000 2.425 64 D HA 0.539 5.180 4.640 0.000 0.000 0.240 64 D C -1.183 175.184 176.300 0.112 0.000 1.080 64 D CA -0.518 53.532 54.000 0.083 0.000 0.836 64 D CB 1.980 42.818 40.800 0.064 0.000 1.125 64 D HN 0.065 nan 8.370 nan 0.000 0.525 65 V N 3.091 123.056 119.914 0.085 0.000 2.841 65 V HA 0.723 4.844 4.120 0.000 0.000 0.310 65 V C -1.129 175.000 176.094 0.059 0.000 1.090 65 V CA -0.221 62.124 62.300 0.076 0.000 0.930 65 V CB 2.231 34.076 31.823 0.037 0.000 1.014 65 V HN 0.651 nan 8.190 nan 0.000 0.425 66 T N 5.194 119.767 114.554 0.033 0.000 2.841 66 T HA 0.682 5.032 4.350 0.000 0.000 0.283 66 T C -0.983 173.685 174.700 -0.054 0.000 1.000 66 T CA -0.446 61.655 62.100 0.001 0.000 0.977 66 T CB 1.662 70.536 68.868 0.011 0.000 0.979 66 T HN 0.639 nan 8.240 nan 0.000 0.446 67 V N 3.413 123.312 119.914 -0.025 0.000 2.409 67 V HA 0.410 4.530 4.120 0.000 0.000 0.290 67 V C -0.477 175.576 176.094 -0.067 0.000 1.017 67 V CA -0.725 61.573 62.300 -0.003 0.000 0.841 67 V CB 1.629 33.528 31.823 0.127 0.000 1.003 67 V HN 0.744 nan 8.190 nan 0.000 0.426 68 V N 7.793 127.648 119.914 -0.098 0.000 2.370 68 V HA 0.423 4.543 4.120 0.000 0.000 0.283 68 V C -2.359 173.699 176.094 -0.061 0.000 1.023 68 V CA -2.152 60.070 62.300 -0.131 0.000 0.857 68 V CB 2.072 33.821 31.823 -0.122 0.000 0.985 68 V HN 0.684 nan 8.190 nan 0.000 0.443 69 P HA 0.165 nan 4.420 nan 0.000 0.282 69 P C -0.206 177.225 177.300 0.218 0.000 1.274 69 P CA -0.102 63.079 63.100 0.136 0.000 0.770 69 P CB 0.762 32.453 31.700 -0.015 0.000 0.867 70 V N 5.363 125.428 119.914 0.251 0.000 2.008 70 V HA 0.239 4.359 4.120 0.000 0.000 0.262 70 V C -0.153 175.926 176.094 -0.025 0.000 1.580 70 V CA 0.317 62.656 62.300 0.065 0.000 1.515 70 V CB -1.891 29.913 31.823 -0.031 0.000 1.474 70 V HN 0.412 nan 8.190 nan 0.000 0.504 71 F N 0.871 120.815 119.950 -0.010 0.000 2.578 71 F HA 0.500 5.027 4.527 0.000 0.000 0.311 71 F C 0.610 176.383 175.800 -0.045 0.000 1.094 71 F CA -0.742 57.264 58.000 0.009 0.000 0.923 71 F CB 2.469 41.495 39.000 0.045 0.000 1.230 71 F HN -0.025 nan 8.300 nan 0.000 0.450 72 L N 1.000 122.255 121.223 0.052 0.000 2.590 72 L HA 0.154 4.494 4.340 0.000 0.000 0.227 72 L C 0.601 177.507 176.870 0.060 0.000 1.099 72 L CA 0.113 54.880 54.840 -0.123 0.000 0.872 72 L CB 0.051 41.776 42.059 -0.557 0.000 1.088 72 L HN 0.592 nan 8.230 nan 0.000 0.479 73 S N -0.422 115.368 115.700 0.150 0.000 2.610 73 S HA 0.280 4.750 4.470 0.000 0.000 0.273 73 S C -0.222 174.466 174.600 0.146 0.000 1.274 73 S CA -0.576 57.728 58.200 0.173 0.000 1.023 73 S CB 2.055 65.370 63.200 0.193 0.000 0.962 73 S HN 0.182 nan 8.310 nan 0.000 0.523 74 E N 0.759 121.031 120.200 0.120 0.000 2.207 74 E HA 0.571 4.921 4.350 0.000 0.000 0.250 74 E C -0.046 176.598 176.600 0.073 0.000 0.890 74 E CA -0.437 56.009 56.400 0.077 0.000 0.749 74 E CB 0.297 30.042 29.700 0.075 0.000 1.193 74 E HN 0.937 nan 8.360 nan 0.000 0.423 75 G N 1.935 110.768 108.800 0.056 0.000 2.664 75 G HA2 -0.066 3.895 3.960 0.000 0.000 0.303 75 G HA3 -0.066 3.895 3.960 0.000 0.000 0.303 75 G C -0.471 174.470 174.900 0.069 0.000 1.243 75 G CA -0.502 44.651 45.100 0.088 0.000 0.826 75 G HN 0.427 nan 8.290 nan 0.000 0.498 76 Y N 0.364 120.661 120.300 -0.006 0.000 2.081 76 Y HA -0.173 4.378 4.550 0.000 0.000 0.280 76 Y C 3.006 178.833 175.900 -0.121 0.000 1.163 76 Y CA 2.802 60.878 58.100 -0.041 0.000 1.135 76 Y CB -0.460 37.995 38.460 -0.007 0.000 0.970 76 Y HN 0.102 nan 8.280 nan 0.000 0.498 77 V N -0.250 119.587 119.914 -0.128 0.000 2.233 77 V HA -0.377 3.743 4.120 0.000 0.000 0.247 77 V C 2.477 178.278 176.094 -0.488 0.000 1.050 77 V CA 2.851 64.912 62.300 -0.397 0.000 1.010 77 V CB -1.516 30.169 31.823 -0.229 0.000 0.637 77 V HN 0.669 nan 8.190 nan 0.000 0.444 78 T N -2.050 112.287 114.554 -0.360 0.000 2.951 78 T HA -0.119 4.232 4.350 0.000 0.000 0.268 78 T C 1.570 176.197 174.700 -0.121 0.000 1.073 78 T CA 1.531 63.450 62.100 -0.300 0.000 1.134 78 T CB -0.193 68.547 68.868 -0.214 0.000 0.884 78 T HN 0.600 nan 8.240 nan 0.000 0.479 79 E N 0.287 120.401 120.200 -0.143 0.000 2.251 79 E HA 0.072 4.423 4.350 0.000 0.000 0.194 79 E C 1.957 178.438 176.600 -0.198 0.000 0.964 79 E CA 0.854 57.213 56.400 -0.067 0.000 0.868 79 E CB 0.325 30.010 29.700 -0.024 0.000 0.828 79 E HN 0.451 nan 8.360 nan 0.000 0.481 80 T N 0.090 114.380 114.554 -0.439 0.000 3.082 80 T HA 0.014 4.365 4.350 0.000 0.000 0.235 80 T C 2.068 176.414 174.700 -0.590 0.000 0.991 80 T CA 0.304 62.051 62.100 -0.589 0.000 1.220 80 T CB -0.091 68.091 68.868 -1.144 0.000 0.909 80 T HN -0.109 nan 8.240 nan 0.000 0.424 81 V N 2.572 122.029 119.914 -0.762 0.000 2.237 81 V HA -0.107 4.013 4.120 0.000 0.000 0.245 81 V C 2.583 178.305 176.094 -0.620 0.000 1.046 81 V CA 1.647 63.509 62.300 -0.730 0.000 1.007 81 V CB -0.912 30.280 31.823 -1.051 0.000 0.638 81 V HN 0.379 nan 8.190 nan 0.000 0.445 82 L N -0.016 120.845 121.223 -0.603 0.000 1.994 82 L HA -0.117 4.223 4.340 0.000 0.000 0.208 82 L C 0.127 176.717 176.870 -0.468 0.000 1.071 82 L CA 1.760 56.309 54.840 -0.486 0.000 0.745 82 L CB -2.286 39.547 42.059 -0.376 0.000 0.892 82 L HN 0.362 nan 8.230 nan 0.000 0.431 83 P HA -0.178 nan 4.420 nan 0.000 0.216 83 P C 1.533 178.630 177.300 -0.337 0.000 1.150 83 P CA 1.336 64.109 63.100 -0.545 0.000 0.837 83 P CB -0.129 31.306 31.700 -0.441 0.000 0.786 84 R N 0.435 120.755 120.500 -0.300 0.000 2.070 84 R HA -0.154 4.187 4.340 0.000 0.000 0.232 84 R C 2.021 178.207 176.300 -0.190 0.000 1.138 84 R CA 1.555 57.522 56.100 -0.222 0.000 0.936 84 R CB -0.511 29.652 30.300 -0.229 0.000 0.839 84 R HN 0.045 nan 8.270 nan 0.000 0.429 85 E N 0.527 120.598 120.200 -0.215 0.000 2.150 85 E HA -0.140 4.210 4.350 0.000 0.000 0.193 85 E C 1.915 178.442 176.600 -0.122 0.000 0.985 85 E CA 0.561 56.873 56.400 -0.147 0.000 0.814 85 E CB -0.024 29.590 29.700 -0.143 0.000 0.752 85 E HN 0.288 nan 8.360 nan 0.000 0.466 86 L N -0.163 120.958 121.223 -0.170 0.000 2.291 86 L HA 0.024 4.365 4.340 0.000 0.000 0.214 86 L C 1.429 178.229 176.870 -0.116 0.000 1.120 86 L CA 1.523 56.278 54.840 -0.142 0.000 0.799 86 L CB -1.095 40.840 42.059 -0.207 0.000 0.925 86 L HN 0.305 nan 8.230 nan 0.000 0.446 87 G N -0.948 107.775 108.800 -0.128 0.000 2.142 87 G HA2 -0.255 3.705 3.960 0.000 0.000 0.225 87 G HA3 -0.255 3.705 3.960 0.000 0.000 0.225 87 G C 0.878 175.718 174.900 -0.101 0.000 1.015 87 G CA 0.411 45.454 45.100 -0.095 0.000 0.716 87 G HN 0.379 nan 8.290 nan 0.000 0.508 88 L N 0.276 121.412 121.223 -0.145 0.000 2.529 88 L HA 0.412 4.752 4.340 0.000 0.000 0.223 88 L C 1.954 178.780 176.870 -0.074 0.000 1.113 88 L CA 0.492 55.254 54.840 -0.130 0.000 0.861 88 L CB -0.066 41.856 42.059 -0.228 0.000 1.012 88 L HN 1.012 nan 8.230 nan 0.000 0.461 89 G N 1.077 109.832 108.800 -0.075 0.000 2.374 89 G HA2 -0.318 3.642 3.960 0.000 0.000 0.289 89 G HA3 -0.318 3.642 3.960 0.000 0.000 0.289 89 G C -0.318 174.592 174.900 0.017 0.000 1.004 89 G CA 0.530 45.604 45.100 -0.043 0.000 1.292 89 G HN 0.658 nan 8.290 nan 0.000 0.502 90 H N -0.382 118.616 119.070 -0.121 0.000 3.137 90 H HA 0.556 5.112 4.556 0.000 0.000 0.336 90 H C -0.322 174.936 175.328 -0.117 0.000 1.055 90 H CA -0.308 55.681 56.048 -0.098 0.000 1.349 90 H CB 1.121 30.830 29.762 -0.088 0.000 1.939 90 H HN 0.597 nan 8.280 nan 0.000 0.487 91 Q N 3.950 123.426 119.800 -0.540 0.000 2.399 91 Q HA 0.712 5.052 4.340 0.000 0.000 0.276 91 Q C -0.142 175.584 176.000 -0.457 0.000 1.098 91 Q CA -0.994 54.601 55.803 -0.347 0.000 0.827 91 Q CB 3.165 31.776 28.738 -0.212 0.000 1.386 91 Q HN 1.070 nan 8.270 nan 0.000 0.443 92 G N 0.699 109.387 108.800 -0.188 0.000 2.756 92 G HA2 -0.140 3.820 3.960 0.000 0.000 0.678 92 G HA3 -0.140 3.820 3.960 0.000 0.000 0.678 92 G C -2.752 172.191 174.900 0.070 0.000 1.349 92 G CA -0.988 44.062 45.100 -0.085 0.000 0.847 92 G HN 0.557 nan 8.290 nan 0.000 0.548 93 P HA 0.221 nan 4.420 nan 0.000 0.259 93 P C 0.467 177.895 177.300 0.212 0.000 1.163 93 P CA -0.099 63.071 63.100 0.117 0.000 0.760 93 P CB 0.462 32.202 31.700 0.067 0.000 0.762 94 V N 7.185 127.191 119.914 0.152 0.000 2.530 94 V HA 0.206 4.326 4.120 0.000 0.000 0.282 94 V C -1.215 174.895 176.094 0.026 0.000 1.048 94 V CA -1.196 61.137 62.300 0.056 0.000 0.997 94 V CB 0.526 32.325 31.823 -0.041 0.000 0.987 94 V HN 0.597 nan 8.190 nan 0.000 0.477 95 P HA 0.215 nan 4.420 nan 0.000 0.276 95 P C -0.139 177.159 177.300 -0.003 0.000 1.261 95 P CA -0.403 62.706 63.100 0.016 0.000 0.800 95 P CB 0.433 32.147 31.700 0.024 0.000 1.066 96 T N 0.041 114.598 114.554 0.005 0.000 2.940 96 T HA 0.341 4.692 4.350 0.000 0.000 0.309 96 T C 1.343 176.046 174.700 0.004 0.000 1.056 96 T CA 1.455 63.560 62.100 0.008 0.000 1.137 96 T CB -0.352 68.522 68.868 0.010 0.000 0.976 96 T HN 0.832 nan 8.240 nan 0.000 0.547 97 G N 1.550 110.354 108.800 0.007 0.000 2.179 97 G HA2 0.047 4.007 3.960 0.000 0.000 0.260 97 G HA3 0.047 4.007 3.960 0.000 0.000 0.260 97 G C 0.812 175.702 174.900 -0.017 0.000 0.977 97 G CA 0.289 45.391 45.100 0.002 0.000 0.641 97 G HN 1.791 nan 8.290 nan 0.000 0.533 98 G N -2.197 106.579 108.800 -0.040 0.000 2.553 98 G HA2 0.152 4.112 3.960 0.000 0.000 0.242 98 G HA3 0.152 4.112 3.960 0.000 0.000 0.242 98 G C -0.207 174.655 174.900 -0.064 0.000 1.277 98 G CA 0.275 45.332 45.100 -0.072 0.000 0.910 98 G HN 1.614 nan 8.290 nan 0.000 0.576 99 V N 0.118 120.001 119.914 -0.052 0.000 2.524 99 V HA 0.546 4.666 4.120 0.000 0.000 0.297 99 V C 0.225 176.312 176.094 -0.011 0.000 1.035 99 V CA -0.537 61.723 62.300 -0.067 0.000 0.867 99 V CB 1.568 33.277 31.823 -0.191 0.000 1.004 99 V HN 0.974 nan 8.190 nan 0.000 0.426 100 V N 6.458 126.368 119.914 -0.006 0.000 2.427 100 V HA 0.698 4.818 4.120 0.000 0.000 0.286 100 V C 0.074 176.170 176.094 0.002 0.000 1.034 100 V CA -0.637 61.666 62.300 0.005 0.000 0.893 100 V CB 1.594 33.422 31.823 0.007 0.000 0.982 100 V HN 0.771 nan 8.190 nan 0.000 0.452 101 R N 2.732 123.232 120.500 0.001 0.000 2.836 101 R HA 0.708 5.048 4.340 0.000 0.000 0.269 101 R C -1.609 174.690 176.300 -0.001 0.000 1.010 101 R CA -0.811 55.286 56.100 -0.004 0.000 0.930 101 R CB 2.364 32.654 30.300 -0.017 0.000 1.218 101 R HN 0.418 nan 8.270 nan 0.000 0.473 102 V N 3.396 123.308 119.914 -0.003 0.000 2.357 102 V HA 0.543 4.663 4.120 0.000 0.000 0.284 102 V C -0.291 175.800 176.094 -0.005 0.000 1.018 102 V CA -0.680 61.619 62.300 -0.000 0.000 0.841 102 V CB 1.225 33.049 31.823 0.001 0.000 0.991 102 V HN 0.526 nan 8.190 nan 0.000 0.437 103 L N 2.856 124.077 121.223 -0.004 0.000 2.472 103 L HA 1.030 5.370 4.340 0.000 0.000 0.260 103 L C 0.443 177.314 176.870 0.003 0.000 0.963 103 L CA -0.558 54.278 54.840 -0.006 0.000 0.829 103 L CB 1.686 43.736 42.059 -0.015 0.000 1.348 103 L HN 0.853 nan 8.230 nan 0.000 0.408 104 G N 1.210 110.013 108.800 0.005 0.000 2.622 104 G HA2 -0.166 3.795 3.960 0.000 0.000 0.272 104 G HA3 -0.166 3.795 3.960 0.000 0.000 0.272 104 G C 0.472 175.381 174.900 0.015 0.000 1.308 104 G CA 0.029 45.139 45.100 0.016 0.000 0.919 104 G HN 1.500 nan 8.290 nan 0.000 0.565 105 G N 0.146 108.959 108.800 0.022 0.000 3.574 105 G HA2 0.507 4.467 3.960 0.000 0.000 0.262 105 G HA3 0.507 4.467 3.960 0.000 0.000 0.262 105 G C 0.487 175.402 174.900 0.025 0.000 1.231 105 G CA 0.224 45.337 45.100 0.023 0.000 1.608 105 G HN 0.665 nan 8.290 nan 0.000 0.628 106 R N -0.011 120.501 120.500 0.020 0.000 2.628 106 R HA 0.438 4.778 4.340 0.000 0.000 0.288 106 R C -0.712 175.599 176.300 0.019 0.000 0.980 106 R CA -1.022 55.092 56.100 0.023 0.000 0.891 106 R CB 2.230 32.542 30.300 0.019 0.000 1.188 106 R HN 0.159 nan 8.270 nan 0.000 0.450 107 R N 1.897 122.411 120.500 0.024 0.000 2.265 107 R HA 0.347 4.687 4.340 0.000 0.000 0.314 107 R C -0.994 175.322 176.300 0.027 0.000 1.053 107 R CA -0.259 55.854 56.100 0.022 0.000 0.931 107 R CB 0.981 31.294 30.300 0.022 0.000 1.024 107 R HN 0.359 nan 8.270 nan 0.000 0.457 108 V N 5.505 125.431 119.914 0.020 0.000 2.483 108 V HA 0.419 4.539 4.120 0.000 0.000 0.297 108 V C -0.449 175.663 176.094 0.030 0.000 1.027 108 V CA -0.786 61.529 62.300 0.024 0.000 0.855 108 V CB 1.567 33.396 31.823 0.010 0.000 0.995 108 V HN 0.713 nan 8.190 nan 0.000 0.424 109 R N 3.674 124.199 120.500 0.041 0.000 2.310 109 R HA 0.474 4.814 4.340 0.000 0.000 0.324 109 R C -1.706 174.636 176.300 0.070 0.000 0.955 109 R CA -0.599 55.527 56.100 0.044 0.000 0.830 109 R CB 1.094 31.412 30.300 0.030 0.000 1.154 109 R HN 0.703 nan 8.270 nan 0.000 0.458 110 Y N 4.636 124.887 120.300 -0.082 0.000 2.353 110 Y HA 0.251 4.801 4.550 0.000 0.000 0.340 110 Y C -0.104 175.733 175.900 -0.104 0.000 0.972 110 Y CA -0.332 57.706 58.100 -0.103 0.000 1.157 110 Y CB 1.120 39.498 38.460 -0.136 0.000 1.157 110 Y HN 0.742 nan 8.280 nan 0.000 0.495 111 T N 3.544 117.819 114.554 -0.465 0.000 2.824 111 T HA 0.502 4.852 4.350 0.000 0.000 0.277 111 T C 0.213 174.626 174.700 -0.478 0.000 0.975 111 T CA -0.875 61.012 62.100 -0.355 0.000 0.966 111 T CB 0.710 69.448 68.868 -0.215 0.000 1.054 111 T HN 0.732 nan 8.240 nan 0.000 0.533 112 R N 1.585 121.943 120.500 -0.236 0.000 2.694 112 R HA 0.281 4.621 4.340 0.000 0.000 0.268 112 R C -2.021 174.188 176.300 -0.151 0.000 1.061 112 R CA -1.366 54.636 56.100 -0.162 0.000 1.133 112 R CB -0.122 30.157 30.300 -0.034 0.000 1.020 112 R HN 0.581 nan 8.270 nan 0.000 0.475 113 P HA -0.073 nan 4.420 nan 0.000 0.273 113 P C 0.544 177.865 177.300 0.035 0.000 1.250 113 P CA -0.251 62.828 63.100 -0.034 0.000 0.793 113 P CB 0.507 32.224 31.700 0.028 0.000 1.011 114 L N 1.834 123.087 121.223 0.050 0.000 2.042 114 L HA -0.101 4.239 4.340 0.000 0.000 0.210 114 L C 2.391 179.328 176.870 0.112 0.000 1.076 114 L CA 2.738 57.607 54.840 0.049 0.000 0.749 114 L CB -1.717 40.350 42.059 0.014 0.000 0.893 114 L HN 0.548 nan 8.230 nan 0.000 0.432 115 G N -1.486 107.390 108.800 0.128 0.000 2.470 115 G HA2 -0.167 3.793 3.960 0.000 0.000 0.220 115 G HA3 -0.167 3.793 3.960 0.000 0.000 0.220 115 G C 1.533 176.682 174.900 0.415 0.000 1.121 115 G CA 0.647 45.904 45.100 0.262 0.000 0.766 115 G HN 0.641 nan 8.290 nan 0.000 0.553 116 A N -0.267 122.711 122.820 0.264 0.000 2.014 116 A HA 0.135 4.455 4.320 0.000 0.000 0.218 116 A C 1.170 178.911 177.584 0.261 0.000 1.163 116 A CA 0.407 52.575 52.037 0.219 0.000 0.652 116 A CB -0.398 18.673 19.000 0.119 0.000 0.808 116 A HN 0.469 nan 8.150 nan 0.000 0.449 117 H N 0.310 119.487 119.070 0.178 0.000 2.732 117 H HA 0.221 4.777 4.556 0.000 0.000 0.351 117 H C -1.493 173.979 175.328 0.240 0.000 1.090 117 H CA -1.180 54.956 56.048 0.146 0.000 1.431 117 H CB 1.095 30.903 29.762 0.077 0.000 1.447 117 H HN 0.027 nan 8.280 nan 0.000 0.582 118 P HA -0.093 nan 4.420 nan 0.000 0.220 118 P C 1.346 178.706 177.300 0.100 0.000 1.148 118 P CA 1.450 64.568 63.100 0.030 0.000 0.803 118 P CB -0.040 31.586 31.700 -0.123 0.000 0.782 119 G N 0.016 108.946 108.800 0.216 0.000 2.516 119 G HA2 -0.246 3.714 3.960 0.000 0.000 0.221 119 G HA3 -0.246 3.714 3.960 0.000 0.000 0.221 119 G C 1.433 176.387 174.900 0.090 0.000 1.107 119 G CA 0.552 45.791 45.100 0.232 0.000 0.747 119 G HN 0.115 nan 8.290 nan 0.000 0.567 120 M N 1.016 120.616 119.600 -0.000 0.000 2.267 120 M HA -0.004 4.476 4.480 0.000 0.000 0.263 120 M C 2.931 179.110 176.300 -0.201 0.000 1.063 120 M CA 0.995 56.192 55.300 -0.171 0.000 1.090 120 M CB -1.176 31.169 32.600 -0.426 0.000 1.392 120 M HN 0.344 nan 8.290 nan 0.000 0.422 121 A N 0.804 123.530 122.820 -0.156 0.000 1.873 121 A HA -0.217 4.103 4.320 0.000 0.000 0.218 121 A C 1.881 179.461 177.584 -0.007 0.000 1.193 121 A CA 2.157 54.170 52.037 -0.040 0.000 0.629 121 A CB -0.824 18.204 19.000 0.048 0.000 0.826 121 A HN 0.423 nan 8.150 nan 0.000 0.447 122 D N 0.073 120.482 120.400 0.016 0.000 2.116 122 D HA -0.129 4.511 4.640 0.000 0.000 0.193 122 D C 2.229 178.531 176.300 0.004 0.000 0.998 122 D CA 1.728 55.744 54.000 0.027 0.000 0.836 122 D CB -0.597 40.228 40.800 0.041 0.000 0.951 122 D HN 0.457 nan 8.370 nan 0.000 0.449 123 A N 0.688 123.506 122.820 -0.003 0.000 1.933 123 A HA -0.143 4.177 4.320 0.000 0.000 0.218 123 A C 2.406 179.936 177.584 -0.090 0.000 1.175 123 A CA 0.926 52.950 52.037 -0.021 0.000 0.628 123 A CB -0.716 18.294 19.000 0.016 0.000 0.814 123 A HN 0.201 nan 8.150 nan 0.000 0.444 124 I N -0.366 120.169 120.570 -0.059 0.000 2.252 124 I HA -0.257 3.914 4.170 0.000 0.000 0.245 124 I C 2.919 178.979 176.117 -0.095 0.000 1.102 124 I CA 1.034 62.289 61.300 -0.074 0.000 1.385 124 I CB -0.248 37.710 38.000 -0.070 0.000 1.064 124 I HN 0.349 nan 8.210 nan 0.000 0.414 125 A N 0.594 123.395 122.820 -0.031 0.000 1.898 125 A HA -0.084 4.236 4.320 0.000 0.000 0.216 125 A C 2.531 180.138 177.584 0.039 0.000 1.181 125 A CA 1.596 53.688 52.037 0.091 0.000 0.620 125 A CB -0.792 18.317 19.000 0.181 0.000 0.819 125 A HN 0.403 nan 8.150 nan 0.000 0.442 126 A N -0.931 121.845 122.820 -0.075 0.000 1.933 126 A HA -0.178 4.142 4.320 0.000 0.000 0.218 126 A C 2.130 179.477 177.584 -0.395 0.000 1.175 126 A CA 2.068 54.007 52.037 -0.163 0.000 0.628 126 A CB -0.458 18.467 19.000 -0.125 0.000 0.814 126 A HN 0.531 nan 8.150 nan 0.000 0.444 127 Q N -0.072 119.393 119.800 -0.559 0.000 2.084 127 Q HA -0.026 4.314 4.340 0.000 0.000 0.202 127 Q C 2.080 178.008 176.000 -0.121 0.000 0.978 127 Q CA 2.128 57.695 55.803 -0.394 0.000 0.844 127 Q CB -0.601 27.972 28.738 -0.274 0.000 0.898 127 Q HN 0.552 nan 8.270 nan 0.000 0.426 128 A N 0.545 123.324 122.820 -0.068 0.000 1.858 128 A HA -0.215 4.106 4.320 0.000 0.000 0.216 128 A C 2.109 179.744 177.584 0.084 0.000 1.190 128 A CA 1.675 53.721 52.037 0.014 0.000 0.617 128 A CB -0.578 18.426 19.000 0.007 0.000 0.827 128 A HN 0.422 nan 8.150 nan 0.000 0.443 129 R N -0.364 120.204 120.500 0.112 0.000 2.096 129 R HA -0.156 4.184 4.340 0.000 0.000 0.240 129 R C 1.421 177.740 176.300 0.031 0.000 1.139 129 R CA 1.592 57.735 56.100 0.072 0.000 0.952 129 R CB -0.527 29.805 30.300 0.054 0.000 0.854 129 R HN 0.436 nan 8.270 nan 0.000 0.436 130 D N -0.619 119.802 120.400 0.034 0.000 2.350 130 D HA -0.062 4.578 4.640 0.000 0.000 0.216 130 D C 1.304 177.618 176.300 0.023 0.000 0.968 130 D CA 1.052 55.084 54.000 0.054 0.000 0.894 130 D CB 0.056 40.945 40.800 0.148 0.000 0.909 130 D HN 0.213 nan 8.370 nan 0.000 0.520 131 T N 0.042 114.598 114.554 0.004 0.000 3.044 131 T HA 0.134 4.484 4.350 0.000 0.000 0.255 131 T C 1.111 175.760 174.700 -0.085 0.000 1.073 131 T CA -0.124 61.966 62.100 -0.017 0.000 1.125 131 T CB 0.490 69.358 68.868 -0.001 0.000 0.908 131 T HN 0.053 nan 8.240 nan 0.000 0.480 132 L N 3.409 124.578 121.223 -0.089 0.000 2.416 132 L HA 0.221 4.562 4.340 0.000 0.000 0.272 132 L C -1.996 174.738 176.870 -0.228 0.000 1.161 132 L CA -1.980 52.738 54.840 -0.204 0.000 0.845 132 L CB -0.051 41.962 42.059 -0.076 0.000 1.119 132 L HN -0.039 nan 8.230 nan 0.000 0.464 133 P HA -0.030 nan 4.420 nan 0.000 0.258 133 P C -0.591 176.643 177.300 -0.109 0.000 1.187 133 P CA -0.001 62.975 63.100 -0.206 0.000 0.767 133 P CB 0.123 31.701 31.700 -0.204 0.000 0.770 134 E N 2.323 122.481 120.200 -0.071 0.000 3.231 134 E HA -0.015 4.336 4.350 0.000 0.000 0.271 134 E C 1.399 177.977 176.600 -0.037 0.000 0.877 134 E CA 1.257 57.631 56.400 -0.044 0.000 0.973 134 E CB -0.505 29.178 29.700 -0.029 0.000 0.922 134 E HN 0.802 nan 8.360 nan 0.000 0.532 135 G N 2.793 111.574 108.800 -0.032 0.000 2.345 135 G HA2 -0.300 3.660 3.960 0.000 0.000 0.218 135 G HA3 -0.300 3.660 3.960 0.000 0.000 0.218 135 G C 0.596 175.482 174.900 -0.024 0.000 1.058 135 G CA -0.003 45.082 45.100 -0.024 0.000 0.632 135 G HN 0.587 nan 8.290 nan 0.000 0.508 136 T N 2.215 116.752 114.554 -0.029 0.000 2.923 136 T HA 0.329 4.680 4.350 0.000 0.000 0.320 136 T C -0.057 174.631 174.700 -0.020 0.000 1.074 136 T CA 1.223 63.315 62.100 -0.014 0.000 1.131 136 T CB 0.904 69.761 68.868 -0.017 0.000 1.058 136 T HN 0.469 nan 8.240 nan 0.000 0.535 137 D N 2.688 123.080 120.400 -0.013 0.000 2.256 137 D HA 0.237 4.877 4.640 0.000 0.000 0.240 137 D C -1.815 174.453 176.300 -0.052 0.000 1.062 137 D CA -2.442 51.533 54.000 -0.041 0.000 0.832 137 D CB 2.021 42.799 40.800 -0.036 0.000 1.135 137 D HN 0.098 nan 8.370 nan 0.000 0.484 138 P HA -0.093 nan 4.420 nan 0.000 0.216 138 P C 1.043 178.239 177.300 -0.173 0.000 1.150 138 P CA 1.093 64.029 63.100 -0.273 0.000 0.837 138 P CB 0.163 31.431 31.700 -0.720 0.000 0.786 139 A N -0.091 122.644 122.820 -0.141 0.000 2.070 139 A HA -0.174 4.146 4.320 0.000 0.000 0.220 139 A C 1.545 179.136 177.584 0.012 0.000 1.159 139 A CA 1.639 53.642 52.037 -0.057 0.000 0.656 139 A CB -1.059 17.908 19.000 -0.055 0.000 0.800 139 A HN 0.153 nan 8.150 nan 0.000 0.453 140 D N -0.597 119.817 120.400 0.022 0.000 2.342 140 D HA 0.216 4.856 4.640 0.000 0.000 0.221 140 D C -0.314 176.037 176.300 0.086 0.000 1.101 140 D CA 0.352 54.382 54.000 0.049 0.000 0.837 140 D CB 0.536 41.360 40.800 0.039 0.000 0.938 140 D HN 0.192 nan 8.370 nan 0.000 0.508 141 V N 0.835 120.826 119.914 0.128 0.000 2.588 141 V HA 0.234 4.354 4.120 0.000 0.000 0.304 141 V C 0.249 176.463 176.094 0.201 0.000 1.042 141 V CA -0.828 61.576 62.300 0.173 0.000 0.877 141 V CB 2.149 34.117 31.823 0.241 0.000 0.996 141 V HN -0.130 nan 8.190 nan 0.000 0.425 142 T N 5.613 120.237 114.554 0.116 0.000 2.794 142 T HA 0.364 4.714 4.350 0.000 0.000 0.296 142 T C -0.114 174.574 174.700 -0.021 0.000 0.949 142 T CA -0.096 62.044 62.100 0.068 0.000 1.101 142 T CB 0.744 69.644 68.868 0.054 0.000 0.905 142 T HN 0.477 nan 8.240 nan 0.000 0.516 143 L N 5.081 126.225 121.223 -0.133 0.000 2.268 143 L HA 0.308 4.649 4.340 0.000 0.000 0.289 143 L C -1.101 175.637 176.870 -0.221 0.000 1.064 143 L CA -0.785 53.857 54.840 -0.330 0.000 0.824 143 L CB 0.273 41.882 42.059 -0.750 0.000 1.202 143 L HN 0.420 nan 8.230 nan 0.000 0.433 144 L N 6.193 127.302 121.223 -0.190 0.000 2.292 144 L HA 0.411 4.751 4.340 0.000 0.000 0.284 144 L C -0.090 176.691 176.870 -0.149 0.000 1.065 144 L CA 0.055 54.805 54.840 -0.149 0.000 0.806 144 L CB 1.409 43.366 42.059 -0.169 0.000 1.175 144 L HN 0.446 nan 8.230 nan 0.000 0.431 145 L N 4.783 125.936 121.223 -0.116 0.000 2.298 145 L HA 0.408 4.748 4.340 0.000 0.000 0.284 145 L C -0.619 176.219 176.870 -0.053 0.000 1.013 145 L CA -0.814 53.968 54.840 -0.096 0.000 0.824 145 L CB 1.721 43.702 42.059 -0.130 0.000 1.221 145 L HN 0.360 nan 8.230 nan 0.000 0.418 146 L N 4.030 125.240 121.223 -0.021 0.000 2.278 146 L HA 0.602 4.942 4.340 0.000 0.000 0.287 146 L C 0.210 177.116 176.870 0.060 0.000 1.072 146 L CA 0.135 54.977 54.840 0.003 0.000 0.819 146 L CB 1.073 43.122 42.059 -0.017 0.000 1.176 146 L HN 0.657 nan 8.230 nan 0.000 0.435 147 A N 4.113 126.964 122.820 0.051 0.000 2.312 147 A HA 0.747 5.067 4.320 0.000 0.000 0.326 147 A C 0.828 178.450 177.584 0.062 0.000 1.172 147 A CA 0.018 52.107 52.037 0.087 0.000 0.821 147 A CB 1.203 20.239 19.000 0.059 0.000 1.166 147 A HN 1.014 nan 8.150 nan 0.000 0.493 148 A N 1.567 124.431 122.820 0.073 0.000 1.874 148 A HA 0.102 4.423 4.320 0.000 0.000 0.214 148 A C 1.450 179.062 177.584 0.048 0.000 1.189 148 A CA 1.052 53.115 52.037 0.044 0.000 0.615 148 A CB -0.123 18.897 19.000 0.034 0.000 0.830 148 A HN 0.741 nan 8.150 nan 0.000 0.443 149 R N 1.192 121.732 120.500 0.067 0.000 2.215 149 R HA 0.296 4.637 4.340 0.000 0.000 0.336 149 R C -2.763 173.569 176.300 0.052 0.000 0.996 149 R CA -2.344 53.794 56.100 0.063 0.000 0.847 149 R CB 0.736 31.084 30.300 0.080 0.000 1.127 149 R HN 0.107 nan 8.270 nan 0.000 0.465 150 P HA -0.077 nan 4.420 nan 0.000 0.252 150 P C 0.256 177.573 177.300 0.029 0.000 1.147 150 P CA 1.274 64.391 63.100 0.028 0.000 0.779 150 P CB 0.342 32.057 31.700 0.026 0.000 0.733 151 G N 2.417 111.229 108.800 0.020 0.000 2.131 151 G HA2 -0.232 3.729 3.960 0.000 0.000 0.223 151 G HA3 -0.232 3.729 3.960 0.000 0.000 0.223 151 G C 0.239 175.151 174.900 0.020 0.000 0.990 151 G CA -0.450 44.660 45.100 0.016 0.000 0.671 151 G HN 0.717 nan 8.290 nan 0.000 0.521 152 N N 1.151 119.866 118.700 0.025 0.000 2.434 152 N HA 0.437 5.177 4.740 0.000 0.000 0.273 152 N C 1.678 177.178 175.510 -0.016 0.000 1.210 152 N CA 0.854 53.925 53.050 0.036 0.000 0.992 152 N CB 0.582 39.116 38.487 0.078 0.000 1.355 152 N HN 0.537 nan 8.380 nan 0.000 0.495 153 A N 4.357 127.167 122.820 -0.016 0.000 1.851 153 A HA -0.189 4.132 4.320 0.000 0.000 0.216 153 A C 2.198 179.709 177.584 -0.121 0.000 1.195 153 A CA 2.035 54.039 52.037 -0.055 0.000 0.622 153 A CB -0.993 17.986 19.000 -0.035 0.000 0.831 153 A HN 0.687 nan 8.150 nan 0.000 0.444 154 A N -0.584 122.176 122.820 -0.101 0.000 1.884 154 A HA -0.177 4.143 4.320 0.000 0.000 0.219 154 A C 2.175 179.470 177.584 -0.481 0.000 1.197 154 A CA 2.107 54.008 52.037 -0.225 0.000 0.637 154 A CB -0.806 18.217 19.000 0.038 0.000 0.827 154 A HN 0.853 nan 8.150 nan 0.000 0.450 155 L N -0.190 120.876 121.223 -0.263 0.000 2.042 155 L HA -0.150 4.191 4.340 0.000 0.000 0.210 155 L C 2.191 178.885 176.870 -0.293 0.000 1.076 155 L CA 2.354 56.956 54.840 -0.397 0.000 0.749 155 L CB -0.705 41.098 42.059 -0.427 0.000 0.893 155 L HN 0.425 nan 8.230 nan 0.000 0.432 156 E N -0.899 119.174 120.200 -0.212 0.000 2.150 156 E HA -0.145 4.205 4.350 0.000 0.000 0.193 156 E C 2.019 178.522 176.600 -0.163 0.000 0.985 156 E CA 1.514 57.822 56.400 -0.152 0.000 0.814 156 E CB -0.320 29.319 29.700 -0.103 0.000 0.752 156 E HN 0.557 nan 8.360 nan 0.000 0.466 157 T N 0.463 114.876 114.554 -0.235 0.000 2.652 157 T HA -0.175 4.175 4.350 0.000 0.000 0.267 157 T C 1.672 176.249 174.700 -0.204 0.000 1.039 157 T CA 1.787 63.741 62.100 -0.245 0.000 1.153 157 T CB -0.466 68.194 68.868 -0.347 0.000 0.863 157 T HN 0.417 nan 8.240 nan 0.000 0.428 158 H N 0.979 119.973 119.070 -0.127 0.000 2.353 158 H HA 0.162 4.718 4.556 0.000 0.000 0.300 158 H C 2.602 177.855 175.328 -0.126 0.000 1.090 158 H CA 0.847 56.818 56.048 -0.128 0.000 1.327 158 H CB -0.290 29.357 29.762 -0.192 0.000 1.383 158 H HN 0.376 nan 8.280 nan 0.000 0.508 159 A N 0.924 123.713 122.820 -0.051 0.000 1.917 159 A HA -0.330 3.990 4.320 0.000 0.000 0.219 159 A C 2.266 179.823 177.584 -0.045 0.000 1.182 159 A CA 2.174 54.168 52.037 -0.073 0.000 0.633 159 A CB -0.517 18.424 19.000 -0.097 0.000 0.819 159 A HN 0.355 nan 8.150 nan 0.000 0.448 160 Q N -0.542 119.231 119.800 -0.044 0.000 2.049 160 Q HA 0.097 4.437 4.340 0.000 0.000 0.198 160 Q C 2.122 178.117 176.000 -0.009 0.000 0.971 160 Q CA 2.039 57.825 55.803 -0.029 0.000 0.833 160 Q CB -0.703 28.010 28.738 -0.041 0.000 0.896 160 Q HN 0.540 nan 8.270 nan 0.000 0.434 161 A N 0.084 122.902 122.820 -0.003 0.000 1.978 161 A HA -0.147 4.174 4.320 0.000 0.000 0.220 161 A C 2.099 179.703 177.584 0.033 0.000 1.170 161 A CA 1.386 53.434 52.037 0.018 0.000 0.636 161 A CB -0.718 18.303 19.000 0.035 0.000 0.810 161 A HN 0.447 nan 8.150 nan 0.000 0.448 162 L N -1.352 119.889 121.223 0.031 0.000 2.072 162 L HA -0.142 4.199 4.340 0.000 0.000 0.205 162 L C 2.816 179.730 176.870 0.073 0.000 1.079 162 L CA 1.167 56.040 54.840 0.055 0.000 0.752 162 L CB -0.403 41.661 42.059 0.009 0.000 0.906 162 L HN 0.339 nan 8.230 nan 0.000 0.436 163 R N -0.051 120.472 120.500 0.039 0.000 2.112 163 R HA -0.200 4.141 4.340 0.000 0.000 0.242 163 R C 2.224 178.548 176.300 0.041 0.000 1.137 163 R CA 1.729 57.853 56.100 0.040 0.000 0.944 163 R CB -0.432 29.877 30.300 0.015 0.000 0.857 163 R HN 0.369 nan 8.270 nan 0.000 0.435 164 E N 0.639 120.856 120.200 0.029 0.000 2.077 164 E HA -0.196 4.154 4.350 0.000 0.000 0.193 164 E C 2.011 178.628 176.600 0.028 0.000 0.989 164 E CA 1.289 57.703 56.400 0.022 0.000 0.800 164 E CB -0.308 29.401 29.700 0.015 0.000 0.746 164 E HN 0.374 nan 8.360 nan 0.000 0.452 165 R N 0.050 120.574 120.500 0.039 0.000 2.120 165 R HA -0.024 4.317 4.340 0.000 0.000 0.234 165 R C 1.440 177.762 176.300 0.036 0.000 1.123 165 R CA 0.867 56.989 56.100 0.038 0.000 0.975 165 R CB -0.435 29.896 30.300 0.051 0.000 0.866 165 R HN 0.316 nan 8.270 nan 0.000 0.446 166 G N 1.286 110.123 108.800 0.061 0.000 2.356 166 G HA2 -0.339 3.622 3.960 0.000 0.000 0.296 166 G HA3 -0.339 3.622 3.960 0.000 0.000 0.296 166 G C 0.399 175.311 174.900 0.020 0.000 1.022 166 G CA 0.702 45.837 45.100 0.059 0.000 0.961 166 G HN 0.452 nan 8.290 nan 0.000 0.510 167 Q N -1.786 118.014 119.800 0.001 0.000 2.369 167 Q HA 0.191 4.531 4.340 0.000 0.000 0.206 167 Q C 0.441 176.176 176.000 -0.441 0.000 0.963 167 Q CA 0.665 56.329 55.803 -0.231 0.000 0.894 167 Q CB 0.216 28.752 28.738 -0.338 0.000 0.965 167 Q HN 0.659 nan 8.270 nan 0.000 0.475 168 F N -1.890 118.057 119.950 -0.004 0.000 2.538 168 F HA 0.407 4.934 4.527 0.000 0.000 0.325 168 F C 0.962 176.763 175.800 0.001 0.000 1.066 168 F CA -0.693 57.306 58.000 -0.002 0.000 0.946 168 F CB 0.936 39.932 39.000 -0.006 0.000 1.199 168 F HN -0.210 nan 8.300 nan 0.000 0.473 169 A N 1.918 124.851 122.820 0.189 0.000 1.915 169 A HA 0.209 4.529 4.320 0.000 0.000 0.220 169 A C 1.120 178.768 177.584 0.107 0.000 1.198 169 A CA 2.152 54.258 52.037 0.115 0.000 0.647 169 A CB -1.012 18.049 19.000 0.101 0.000 0.825 169 A HN 1.048 nan 8.150 nan 0.000 0.456 170 G N -4.226 104.648 108.800 0.124 0.000 2.600 170 G HA2 0.506 4.466 3.960 0.000 0.000 0.293 170 G HA3 0.506 4.466 3.960 0.000 0.000 0.293 170 G C -1.760 173.158 174.900 0.030 0.000 1.408 170 G CA 0.170 45.312 45.100 0.070 0.000 0.782 170 G HN 0.706 nan 8.290 nan 0.000 0.482 171 V N 1.032 120.941 119.914 -0.009 0.000 2.559 171 V HA 0.542 4.662 4.120 0.000 0.000 0.289 171 V C -1.270 174.791 176.094 -0.054 0.000 1.036 171 V CA -0.814 61.447 62.300 -0.065 0.000 0.887 171 V CB 1.447 33.230 31.823 -0.066 0.000 1.022 171 V HN 0.695 nan 8.190 nan 0.000 0.442 172 E N 2.999 123.162 120.200 -0.062 0.000 2.272 172 E HA 0.560 4.910 4.350 0.000 0.000 0.269 172 E C -1.138 175.430 176.600 -0.054 0.000 0.877 172 E CA -0.682 55.693 56.400 -0.043 0.000 0.755 172 E CB 3.240 32.931 29.700 -0.014 0.000 1.192 172 E HN 0.350 nan 8.360 nan 0.000 0.422 173 V N 2.555 122.440 119.914 -0.048 0.000 2.465 173 V HA 0.324 4.444 4.120 0.000 0.000 0.279 173 V C 0.305 176.386 176.094 -0.021 0.000 1.045 173 V CA -0.532 61.739 62.300 -0.049 0.000 0.938 173 V CB 1.281 33.069 31.823 -0.057 0.000 0.986 173 V HN 0.493 nan 8.190 nan 0.000 0.467 174 V N 3.808 123.714 119.914 -0.014 0.000 3.001 174 V HA 0.676 4.797 4.120 0.000 0.000 0.314 174 V C -0.712 175.389 176.094 0.012 0.000 1.099 174 V CA -0.959 61.346 62.300 0.010 0.000 0.989 174 V CB 2.175 34.016 31.823 0.030 0.000 1.040 174 V HN 0.602 nan 8.190 nan 0.000 0.434 175 L N 1.615 122.851 121.223 0.022 0.000 2.325 175 L HA 0.565 4.905 4.340 0.000 0.000 0.278 175 L C 0.715 177.599 176.870 0.025 0.000 1.023 175 L CA -0.515 54.339 54.840 0.023 0.000 0.811 175 L CB 1.879 43.952 42.059 0.023 0.000 1.249 175 L HN 0.838 nan 8.230 nan 0.000 0.431 176 E N 0.769 120.982 120.200 0.021 0.000 2.455 176 E HA 0.077 4.428 4.350 0.000 0.000 0.259 176 E C -0.243 176.369 176.600 0.020 0.000 1.245 176 E CA 0.133 56.543 56.400 0.016 0.000 1.013 176 E CB 0.905 30.611 29.700 0.009 0.000 0.978 176 E HN 0.628 nan 8.360 nan 0.000 0.479 191 V N 0.522 120.442 119.914 0.010 0.000 2.953 191 V HA 0.337 4.457 4.120 0.000 0.000 0.304 191 V C -1.771 174.338 176.094 0.026 0.000 1.138 191 V CA -0.592 61.718 62.300 0.017 0.000 1.266 191 V CB -0.396 31.434 31.823 0.012 0.000 0.923 191 V HN 0.678 nan 8.190 nan 0.000 0.505 192 P HA 0.083 nan 4.420 nan 0.000 0.272 192 P C 0.725 178.063 177.300 0.064 0.000 1.230 192 P CA -0.465 62.660 63.100 0.041 0.000 0.788 192 P CB 1.014 32.737 31.700 0.039 0.000 0.949 193 L N 3.094 124.363 121.223 0.077 0.000 2.081 193 L HA -0.218 4.123 4.340 0.000 0.000 0.212 193 L C 2.238 179.238 176.870 0.217 0.000 1.080 193 L CA 2.730 57.649 54.840 0.132 0.000 0.754 193 L CB -1.661 40.446 42.059 0.079 0.000 0.893 193 L HN 0.482 nan 8.230 nan 0.000 0.433 194 S N -1.523 114.258 115.700 0.136 0.000 2.595 194 S HA -0.061 4.409 4.470 0.000 0.000 0.235 194 S C 1.130 175.747 174.600 0.029 0.000 0.974 194 S CA 0.914 59.184 58.200 0.117 0.000 0.942 194 S CB -0.570 62.680 63.200 0.084 0.000 0.766 194 S HN 0.701 nan 8.310 nan 0.000 0.536 195 E N 0.625 120.819 120.200 -0.010 0.000 2.693 195 E HA 0.066 4.416 4.350 0.000 0.000 0.214 195 E C 1.160 177.581 176.600 -0.299 0.000 0.990 195 E CA -0.217 56.102 56.400 -0.134 0.000 1.047 195 E CB -0.230 29.457 29.700 -0.021 0.000 1.039 195 E HN 0.861 nan 8.360 nan 0.000 0.475 196 W N 1.659 122.829 121.300 -0.216 0.000 2.313 196 W HA -0.088 4.572 4.660 0.000 0.000 0.293 196 W C -1.466 174.873 176.519 -0.300 0.000 1.216 196 W CA 0.817 58.037 57.345 -0.209 0.000 1.223 196 W CB -1.894 27.476 29.460 -0.151 0.000 1.138 196 W HN 0.020 nan 8.180 nan 0.000 0.535 197 P HA -0.195 nan 4.420 nan 0.000 0.221 197 P C 2.333 179.282 177.300 -0.584 0.000 1.150 197 P CA 3.204 65.659 63.100 -1.074 0.000 0.800 197 P CB -0.264 30.424 31.700 -1.688 0.000 0.787 198 S N 0.125 115.472 115.700 -0.588 0.000 2.372 198 S HA -0.209 4.262 4.470 0.000 0.000 0.227 198 S C 1.785 176.322 174.600 -0.104 0.000 1.044 198 S CA 1.167 59.238 58.200 -0.216 0.000 1.050 198 S CB -0.994 62.140 63.200 -0.110 0.000 0.901 198 S HN -0.032 nan 8.310 nan 0.000 0.447 199 R N 1.181 121.636 120.500 -0.076 0.000 2.363 199 R HA 0.437 4.777 4.340 0.000 0.000 0.236 199 R C -0.636 175.679 176.300 0.025 0.000 0.966 199 R CA -0.106 55.989 56.100 -0.007 0.000 1.100 199 R CB -0.717 29.592 30.300 0.016 0.000 1.125 199 R HN 0.402 nan 8.270 nan 0.000 0.514 200 V N -0.067 119.856 119.914 0.014 0.000 2.540 200 V HA 0.247 4.367 4.120 0.000 0.000 0.302 200 V C 0.644 176.758 176.094 0.033 0.000 1.035 200 V CA -0.512 61.824 62.300 0.060 0.000 0.873 200 V CB 2.540 34.463 31.823 0.167 0.000 0.992 200 V HN 0.097 nan 8.190 nan 0.000 0.428 201 E N 2.136 122.362 120.200 0.043 0.000 2.441 201 E HA 0.420 4.770 4.350 0.000 0.000 0.212 201 E C 0.974 177.600 176.600 0.043 0.000 0.840 201 E CA 0.387 56.808 56.400 0.035 0.000 1.143 201 E CB 0.953 30.671 29.700 0.029 0.000 1.153 201 E HN 0.875 nan 8.360 nan 0.000 0.539 202 A N 0.073 122.926 122.820 0.055 0.000 2.387 202 A HA 0.356 4.677 4.320 0.000 0.000 0.251 202 A C 1.426 179.046 177.584 0.059 0.000 1.113 202 A CA 0.521 52.593 52.037 0.059 0.000 0.794 202 A CB -0.106 18.937 19.000 0.072 0.000 1.069 202 A HN 0.322 nan 8.150 nan 0.000 0.506 203 G N -1.560 107.274 108.800 0.056 0.000 2.448 203 G HA2 0.196 4.157 3.960 0.000 0.000 0.218 203 G HA3 0.196 4.157 3.960 0.000 0.000 0.218 203 G C 0.701 175.636 174.900 0.059 0.000 1.135 203 G CA 0.779 45.911 45.100 0.054 0.000 0.784 203 G HN 0.706 nan 8.290 nan 0.000 0.543 204 Q N -1.274 118.563 119.800 0.061 0.000 2.458 204 Q HA 0.693 5.033 4.340 0.000 0.000 0.282 204 Q C -1.066 174.953 176.000 0.033 0.000 1.106 204 Q CA -0.817 55.005 55.803 0.032 0.000 0.814 204 Q CB 2.507 31.281 28.738 0.059 0.000 1.425 204 Q HN 0.206 nan 8.270 nan 0.000 0.437 205 A N 0.652 123.437 122.820 -0.059 0.000 2.498 205 A HA 0.775 5.095 4.320 0.000 0.000 0.298 205 A C -1.719 175.768 177.584 -0.162 0.000 1.075 205 A CA -0.571 51.404 52.037 -0.103 0.000 0.714 205 A CB 1.993 20.881 19.000 -0.186 0.000 1.299 205 A HN 0.401 nan 8.150 nan 0.000 0.407 206 V N 2.622 122.464 119.914 -0.120 0.000 2.577 206 V HA 0.615 4.735 4.120 0.000 0.000 0.303 206 V C -1.567 174.419 176.094 -0.180 0.000 1.042 206 V CA -0.631 61.617 62.300 -0.087 0.000 0.872 206 V CB 1.408 33.249 31.823 0.030 0.000 0.998 206 V HN 0.959 nan 8.190 nan 0.000 0.423 207 L N 7.829 128.932 121.223 -0.199 0.000 2.264 207 L HA 0.665 5.006 4.340 0.000 0.000 0.289 207 L C -0.631 176.160 176.870 -0.132 0.000 1.044 207 L CA 0.238 54.955 54.840 -0.205 0.000 0.807 207 L CB 1.567 43.470 42.059 -0.261 0.000 1.192 207 L HN 0.481 nan 8.230 nan 0.000 0.425 208 V N 7.566 127.410 119.914 -0.117 0.000 2.326 208 V HA 0.415 4.536 4.120 0.000 0.000 0.281 208 V C -2.191 173.886 176.094 -0.029 0.000 1.015 208 V CA -1.531 60.725 62.300 -0.074 0.000 0.823 208 V CB 1.367 33.139 31.823 -0.085 0.000 1.009 208 V HN 0.692 nan 8.190 nan 0.000 0.436 209 P HA 0.117 nan 4.420 nan 0.000 0.271 209 P C -0.237 177.108 177.300 0.074 0.000 1.233 209 P CA -0.154 62.952 63.100 0.010 0.000 0.764 209 P CB 0.220 31.901 31.700 -0.031 0.000 0.825 210 F N 5.518 125.435 119.950 -0.055 0.000 2.668 210 F HA 0.193 4.721 4.527 0.000 0.000 0.365 210 F C -0.305 175.472 175.800 -0.039 0.000 1.165 210 F CA 0.139 58.117 58.000 -0.036 0.000 1.344 210 F CB -0.840 38.154 39.000 -0.009 0.000 1.658 210 F HN 0.131 nan 8.300 nan 0.000 0.620 211 L N -0.010 121.133 121.223 -0.134 0.000 2.309 211 L HA 0.378 4.719 4.340 0.000 0.000 0.261 211 L C 1.413 178.154 176.870 -0.215 0.000 1.021 211 L CA -0.622 54.092 54.840 -0.210 0.000 0.823 211 L CB 1.723 43.658 42.059 -0.206 0.000 1.366 211 L HN 0.117 nan 8.230 nan 0.000 0.423 212 T N -3.874 110.558 114.554 -0.204 0.000 3.023 212 T HA 0.036 4.386 4.350 0.000 0.000 0.266 212 T C 0.353 175.067 174.700 0.025 0.000 1.093 212 T CA 0.834 62.884 62.100 -0.083 0.000 1.129 212 T CB -0.401 68.460 68.868 -0.012 0.000 0.899 212 T HN 0.780 nan 8.240 nan 0.000 0.491 213 H N -1.474 117.522 119.070 -0.124 0.000 2.987 213 H HA 0.581 5.137 4.556 0.000 0.000 0.316 213 H C -2.294 172.967 175.328 -0.112 0.000 1.380 213 H CA -1.431 54.548 56.048 -0.114 0.000 1.160 213 H CB 1.016 30.699 29.762 -0.132 0.000 1.865 213 H HN 0.115 nan 8.280 nan 0.000 0.521 214 L N 2.278 123.454 121.223 -0.077 0.000 2.442 214 L HA 0.539 4.879 4.340 0.000 0.000 0.261 214 L C 0.499 177.333 176.870 -0.059 0.000 1.000 214 L CA 0.203 54.971 54.840 -0.119 0.000 0.882 214 L CB 1.006 43.015 42.059 -0.084 0.000 1.207 214 L HN 1.008 nan 8.230 nan 0.000 0.443 215 G N 2.268 111.025 108.800 -0.072 0.000 2.631 215 G HA2 0.116 4.076 3.960 0.000 0.000 0.271 215 G HA3 0.116 4.076 3.960 0.000 0.000 0.271 215 G C 0.579 175.389 174.900 -0.150 0.000 1.302 215 G CA -0.309 44.708 45.100 -0.138 0.000 1.002 215 G HN 0.665 nan 8.290 nan 0.000 0.519 216 K N -1.208 119.058 120.400 -0.224 0.000 2.057 216 K HA -0.094 4.226 4.320 0.000 0.000 0.207 216 K C 2.111 178.721 176.600 0.016 0.000 1.049 216 K CA 1.478 57.695 56.287 -0.117 0.000 0.931 216 K CB -0.183 32.232 32.500 -0.142 0.000 0.714 216 K HN 0.650 nan 8.250 nan 0.000 0.440 217 H N -0.435 118.570 119.070 -0.109 0.000 2.395 217 H HA -0.007 4.550 4.556 0.000 0.000 0.299 217 H C 2.148 177.436 175.328 -0.066 0.000 1.070 217 H CA 0.478 56.482 56.048 -0.074 0.000 1.356 217 H CB 0.114 29.836 29.762 -0.066 0.000 1.401 217 H HN 0.238 nan 8.280 nan 0.000 0.524 218 A N 1.487 124.327 122.820 0.033 0.000 1.877 218 A HA -0.167 4.153 4.320 0.000 0.000 0.216 218 A C 2.573 180.146 177.584 -0.019 0.000 1.186 218 A CA 1.468 53.494 52.037 -0.018 0.000 0.620 218 A CB -0.939 18.013 19.000 -0.081 0.000 0.822 218 A HN 0.460 nan 8.150 nan 0.000 0.443 219 A N -0.504 122.302 122.820 -0.024 0.000 1.883 219 A HA -0.206 4.114 4.320 0.000 0.000 0.217 219 A C 1.961 179.543 177.584 -0.003 0.000 1.186 219 A CA 1.970 53.995 52.037 -0.021 0.000 0.624 219 A CB -0.639 18.345 19.000 -0.026 0.000 0.822 219 A HN 0.628 nan 8.150 nan 0.000 0.444 220 E N -0.576 119.632 120.200 0.014 0.000 2.049 220 E HA -0.240 4.111 4.350 0.000 0.000 0.198 220 E C 2.336 178.938 176.600 0.004 0.000 1.007 220 E CA 1.743 58.151 56.400 0.013 0.000 0.809 220 E CB -0.098 29.615 29.700 0.021 0.000 0.749 220 E HN 0.580 nan 8.360 nan 0.000 0.450 221 R N -0.174 120.328 120.500 0.004 0.000 2.092 221 R HA -0.134 4.207 4.340 0.000 0.000 0.231 221 R C 2.399 178.703 176.300 0.007 0.000 1.119 221 R CA 0.978 57.079 56.100 0.002 0.000 0.970 221 R CB -0.390 29.911 30.300 0.001 0.000 0.864 221 R HN 0.203 nan 8.270 nan 0.000 0.440 222 L N 1.223 122.446 121.223 0.000 0.000 2.012 222 L HA -0.214 4.127 4.340 0.000 0.000 0.210 222 L C 1.873 178.747 176.870 0.006 0.000 1.073 222 L CA 1.906 56.743 54.840 -0.004 0.000 0.748 222 L CB -0.746 41.300 42.059 -0.022 0.000 0.891 222 L HN 0.128 nan 8.230 nan 0.000 0.431 223 Q N -0.365 119.439 119.800 0.007 0.000 2.079 223 Q HA -0.226 4.115 4.340 0.000 0.000 0.200 223 Q C 2.255 178.272 176.000 0.029 0.000 0.974 223 Q CA 1.738 57.551 55.803 0.016 0.000 0.840 223 Q CB -0.412 28.333 28.738 0.011 0.000 0.898 223 Q HN 0.713 nan 8.270 nan 0.000 0.430 224 Q N -0.065 119.748 119.800 0.022 0.000 2.112 224 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 224 Q C 1.846 177.871 176.000 0.042 0.000 0.987 224 Q CA 1.809 57.627 55.803 0.025 0.000 0.858 224 Q CB -0.076 28.669 28.738 0.012 0.000 0.905 224 Q HN 0.376 nan 8.270 nan 0.000 0.420 225 A N 0.358 123.206 122.820 0.048 0.000 1.933 225 A HA -0.135 4.185 4.320 0.000 0.000 0.218 225 A C 1.967 179.622 177.584 0.118 0.000 1.175 225 A CA 1.027 53.108 52.037 0.073 0.000 0.628 225 A CB -0.506 18.535 19.000 0.068 0.000 0.814 225 A HN 0.441 nan 8.150 nan 0.000 0.444 226 L N -1.198 120.093 121.223 0.113 0.000 2.156 226 L HA -0.107 4.233 4.340 0.000 0.000 0.208 226 L C 3.009 179.969 176.870 0.151 0.000 1.095 226 L CA 1.044 55.984 54.840 0.168 0.000 0.770 226 L CB -0.708 41.413 42.059 0.103 0.000 0.914 226 L HN 0.472 nan 8.230 nan 0.000 0.439 227 A N -0.215 122.663 122.820 0.096 0.000 1.897 227 A HA -0.203 4.117 4.320 0.000 0.000 0.215 227 A C 2.191 179.820 177.584 0.075 0.000 1.181 227 A CA 1.114 53.196 52.037 0.076 0.000 0.620 227 A CB -0.320 18.710 19.000 0.050 0.000 0.821 227 A HN 0.415 nan 8.150 nan 0.000 0.443 228 Q N -0.551 119.293 119.800 0.074 0.000 2.124 228 Q HA -0.073 4.268 4.340 0.000 0.000 0.202 228 Q C 2.353 178.405 176.000 0.087 0.000 0.977 228 Q CA 1.336 57.179 55.803 0.068 0.000 0.850 228 Q CB -0.371 28.404 28.738 0.061 0.000 0.901 228 Q HN 0.677 nan 8.270 nan 0.000 0.429 229 A N 0.953 123.837 122.820 0.106 0.000 1.969 229 A HA -0.078 4.242 4.320 0.000 0.000 0.218 229 A C 2.259 179.891 177.584 0.081 0.000 1.169 229 A CA 1.417 53.490 52.037 0.060 0.000 0.635 229 A CB -0.640 18.384 19.000 0.041 0.000 0.810 229 A HN 0.389 nan 8.150 nan 0.000 0.445 230 A N 0.307 123.191 122.820 0.107 0.000 1.902 230 A HA -0.148 4.173 4.320 0.000 0.000 0.217 230 A C 1.886 179.512 177.584 0.070 0.000 1.181 230 A CA 1.665 53.758 52.037 0.094 0.000 0.623 230 A CB -0.458 18.598 19.000 0.092 0.000 0.818 230 A HN 0.667 nan 8.150 nan 0.000 0.443 231 E N -0.021 120.212 120.200 0.054 0.000 2.008 231 E HA -0.135 4.215 4.350 0.000 0.000 0.191 231 E C 2.045 178.640 176.600 -0.009 0.000 0.986 231 E CA 0.892 57.302 56.400 0.017 0.000 0.807 231 E CB -0.367 29.337 29.700 0.007 0.000 0.766 231 E HN 0.456 nan 8.360 nan 0.000 0.450 232 R N 0.303 120.814 120.500 0.019 0.000 2.244 232 R HA -0.144 4.196 4.340 0.000 0.000 0.252 232 R C 0.213 176.324 176.300 -0.314 0.000 1.177 232 R CA 1.040 57.104 56.100 -0.060 0.000 1.004 232 R CB -0.379 29.985 30.300 0.108 0.000 0.873 232 R HN 0.218 nan 8.270 nan 0.000 0.469 233 F N -0.079 119.794 119.950 -0.128 0.000 2.971 233 F HA 0.245 4.772 4.527 0.000 0.000 0.373 233 F C -1.805 173.930 175.800 -0.109 0.000 1.288 233 F CA -1.867 56.042 58.000 -0.150 0.000 1.204 233 F CB 1.966 40.808 39.000 -0.263 0.000 1.852 233 F HN -0.214 nan 8.300 nan 0.000 0.624 234 P HA -0.152 nan 4.420 nan 0.000 0.239 234 P C 0.603 177.919 177.300 0.026 0.000 1.184 234 P CA 0.969 64.081 63.100 0.019 0.000 0.760 234 P CB 0.349 32.040 31.700 -0.015 0.000 0.884 235 Q N -1.270 118.554 119.800 0.039 0.000 2.189 235 Q HA 0.258 4.598 4.340 0.000 0.000 0.223 235 Q C 0.447 176.471 176.000 0.041 0.000 0.828 235 Q CA -0.252 55.571 55.803 0.033 0.000 0.967 235 Q CB -0.258 28.493 28.738 0.021 0.000 1.139 235 Q HN -0.017 nan 8.270 nan 0.000 0.497 236 A N 3.596 126.440 122.820 0.040 0.000 2.445 236 A HA 0.503 4.823 4.320 0.000 0.000 0.242 236 A C -1.769 175.848 177.584 0.055 0.000 1.075 236 A CA -0.781 51.244 52.037 -0.019 0.000 0.777 236 A CB -0.386 18.514 19.000 -0.167 0.000 1.013 236 A HN 0.301 nan 8.150 nan 0.000 0.493 237 P HA 0.311 nan 4.420 nan 0.000 0.274 237 P C -2.732 174.661 177.300 0.156 0.000 1.260 237 P CA -1.234 61.934 63.100 0.115 0.000 0.793 237 P CB -0.829 30.941 31.700 0.117 0.000 1.048 238 P HA 0.217 nan 4.420 nan 0.000 0.276 238 P C -0.688 176.454 177.300 -0.262 0.000 1.253 238 P CA -0.110 62.937 63.100 -0.089 0.000 0.766 238 P CB 0.120 31.735 31.700 -0.142 0.000 0.845 239 L N 5.605 126.675 121.223 -0.255 0.000 2.257 239 L HA 0.290 4.631 4.340 0.000 0.000 0.290 239 L C -0.216 176.411 176.870 -0.406 0.000 1.044 239 L CA -0.280 54.283 54.840 -0.461 0.000 0.810 239 L CB -0.140 41.515 42.059 -0.673 0.000 1.193 239 L HN 0.384 nan 8.230 nan 0.000 0.425 240 H N 5.037 124.022 119.070 -0.142 0.000 2.604 240 H HA 0.315 4.871 4.556 0.000 0.000 0.306 240 H C -0.613 174.635 175.328 -0.134 0.000 1.075 240 H CA -0.590 55.398 56.048 -0.100 0.000 1.357 240 H CB 1.150 30.879 29.762 -0.056 0.000 1.426 240 H HN 0.327 nan 8.280 nan 0.000 0.470 241 V N 3.746 123.655 119.914 -0.008 0.000 2.348 241 V HA 0.297 4.418 4.120 0.000 0.000 0.270 241 V C 1.170 177.247 176.094 -0.027 0.000 1.037 241 V CA -0.685 61.579 62.300 -0.060 0.000 0.872 241 V CB 1.055 32.835 31.823 -0.072 0.000 1.002 241 V HN 0.894 nan 8.190 nan 0.000 0.464 242 G N 3.284 112.060 108.800 -0.039 0.000 2.476 242 G HA2 0.570 4.530 3.960 0.000 0.000 0.286 242 G HA3 0.570 4.530 3.960 0.000 0.000 0.286 242 G C 0.371 175.257 174.900 -0.023 0.000 1.177 242 G CA -0.072 45.014 45.100 -0.024 0.000 0.870 242 G HN 0.962 nan 8.290 nan 0.000 0.528 243 G N 0.029 108.826 108.800 -0.005 0.000 2.599 243 G HA2 0.543 4.503 3.960 0.000 0.000 0.264 243 G HA3 0.543 4.503 3.960 0.000 0.000 0.264 243 G C -2.224 172.672 174.900 -0.007 0.000 1.200 243 G CA -0.958 44.139 45.100 -0.005 0.000 0.896 243 G HN 0.538 nan 8.290 nan 0.000 0.536 244 P HA -0.049 nan 4.420 nan 0.000 0.262 244 P C 1.089 178.384 177.300 -0.008 0.000 1.182 244 P CA -0.157 62.926 63.100 -0.028 0.000 0.761 244 P CB 1.333 33.005 31.700 -0.047 0.000 0.795 245 V N 4.028 123.934 119.914 -0.013 0.000 2.594 245 V HA -0.153 3.967 4.120 0.000 0.000 0.253 245 V C 2.286 178.383 176.094 0.005 0.000 1.069 245 V CA 2.672 64.975 62.300 0.005 0.000 1.082 245 V CB -1.311 30.529 31.823 0.028 0.000 0.680 245 V HN 0.771 nan 8.190 nan 0.000 0.469 246 G N -1.117 107.653 108.800 -0.050 0.000 2.559 246 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 246 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 246 G C 1.252 176.149 174.900 -0.005 0.000 1.126 246 G CA 0.609 45.680 45.100 -0.049 0.000 0.778 246 G HN 0.636 nan 8.290 nan 0.000 0.543 247 E N -0.638 119.573 120.200 0.018 0.000 2.474 247 E HA 0.054 4.404 4.350 0.000 0.000 0.195 247 E C 0.233 176.852 176.600 0.031 0.000 1.039 247 E CA -0.438 55.972 56.400 0.016 0.000 0.881 247 E CB 0.188 29.895 29.700 0.011 0.000 0.970 247 E HN 0.399 nan 8.360 nan 0.000 0.486 248 H N 1.072 120.129 119.070 -0.021 0.000 2.683 248 H HA 0.050 4.606 4.556 0.000 0.000 0.339 248 H C -1.749 173.572 175.328 -0.012 0.000 1.081 248 H CA -1.749 54.291 56.048 -0.013 0.000 1.432 248 H CB 1.489 31.246 29.762 -0.008 0.000 1.462 248 H HN -0.131 nan 8.280 nan 0.000 0.557 249 P HA -0.169 nan 4.420 nan 0.000 0.217 249 P C 1.034 178.305 177.300 -0.048 0.000 1.148 249 P CA 1.847 64.811 63.100 -0.226 0.000 0.834 249 P CB 0.066 31.579 31.700 -0.312 0.000 0.783 250 A N -0.380 122.514 122.820 0.123 0.000 2.125 250 A HA -0.129 4.191 4.320 0.000 0.000 0.219 250 A C 2.172 179.818 177.584 0.102 0.000 1.156 250 A CA 1.588 53.731 52.037 0.177 0.000 0.671 250 A CB -1.657 17.513 19.000 0.282 0.000 0.794 250 A HN 0.247 nan 8.150 nan 0.000 0.459 251 V N -2.493 117.474 119.914 0.088 0.000 2.759 251 V HA -0.062 4.058 4.120 0.000 0.000 0.256 251 V C 2.304 178.401 176.094 0.004 0.000 1.080 251 V CA 1.746 64.066 62.300 0.033 0.000 1.101 251 V CB -1.304 30.528 31.823 0.014 0.000 0.698 251 V HN 0.511 nan 8.190 nan 0.000 0.477 252 A N 0.230 123.052 122.820 0.003 0.000 1.917 252 A HA -0.223 4.097 4.320 0.000 0.000 0.219 252 A C 2.185 179.763 177.584 -0.010 0.000 1.182 252 A CA 2.094 54.126 52.037 -0.009 0.000 0.633 252 A CB -0.638 18.359 19.000 -0.006 0.000 0.819 252 A HN 0.586 nan 8.150 nan 0.000 0.448 253 E N -0.288 119.914 120.200 0.003 0.000 2.106 253 E HA -0.088 4.262 4.350 0.000 0.000 0.192 253 E C 2.225 178.807 176.600 -0.029 0.000 0.984 253 E CA 1.231 57.632 56.400 0.001 0.000 0.806 253 E CB -0.497 29.216 29.700 0.020 0.000 0.750 253 E HN 0.425 nan 8.360 nan 0.000 0.458 254 V N 0.693 120.587 119.914 -0.034 0.000 2.358 254 V HA -0.197 3.923 4.120 0.000 0.000 0.246 254 V C 2.574 178.555 176.094 -0.188 0.000 1.047 254 V CA 1.158 63.400 62.300 -0.096 0.000 1.035 254 V CB -0.599 31.209 31.823 -0.024 0.000 0.658 254 V HN 0.051 nan 8.190 nan 0.000 0.452 255 V N -0.061 119.788 119.914 -0.108 0.000 2.324 255 V HA -0.301 3.819 4.120 0.000 0.000 0.250 255 V C 2.343 178.369 176.094 -0.113 0.000 1.060 255 V CA 2.154 64.389 62.300 -0.110 0.000 1.042 255 V CB -0.565 31.213 31.823 -0.076 0.000 0.650 255 V HN 0.450 nan 8.190 nan 0.000 0.450 256 L N -0.343 120.837 121.223 -0.071 0.000 2.141 256 L HA -0.130 4.210 4.340 0.000 0.000 0.209 256 L C 2.699 179.545 176.870 -0.041 0.000 1.094 256 L CA 1.290 56.121 54.840 -0.016 0.000 0.763 256 L CB -0.722 41.353 42.059 0.027 0.000 0.908 256 L HN 0.378 nan 8.230 nan 0.000 0.437 257 A N 0.152 122.893 122.820 -0.133 0.000 1.883 257 A HA -0.205 4.116 4.320 0.000 0.000 0.217 257 A C 2.230 179.684 177.584 -0.217 0.000 1.186 257 A CA 1.554 53.478 52.037 -0.188 0.000 0.624 257 A CB -0.673 18.090 19.000 -0.395 0.000 0.822 257 A HN 0.361 nan 8.150 nan 0.000 0.444 258 L N -1.018 120.006 121.223 -0.333 0.000 2.109 258 L HA -0.133 4.207 4.340 0.000 0.000 0.207 258 L C 3.049 179.872 176.870 -0.079 0.000 1.086 258 L CA 0.875 55.601 54.840 -0.191 0.000 0.760 258 L CB -0.382 41.564 42.059 -0.187 0.000 0.910 258 L HN 0.444 nan 8.230 nan 0.000 0.437 259 A N -0.237 122.547 122.820 -0.060 0.000 1.969 259 A HA -0.124 4.196 4.320 0.000 0.000 0.218 259 A C 2.412 180.045 177.584 0.081 0.000 1.169 259 A CA 1.622 53.666 52.037 0.013 0.000 0.635 259 A CB -0.529 18.486 19.000 0.026 0.000 0.810 259 A HN 0.403 nan 8.150 nan 0.000 0.445 260 A N -0.474 122.383 122.820 0.062 0.000 2.021 260 A HA 0.052 4.372 4.320 0.000 0.000 0.216 260 A C 1.198 178.808 177.584 0.044 0.000 1.163 260 A CA 0.609 52.681 52.037 0.058 0.000 0.676 260 A CB -0.331 18.696 19.000 0.045 0.000 0.818 260 A HN 0.576 nan 8.150 nan 0.000 0.453 261 E N 0.188 120.413 120.200 0.042 0.000 2.271 261 E HA 0.280 4.631 4.350 0.000 0.000 0.255 261 E C 0.953 177.574 176.600 0.035 0.000 1.177 261 E CA 0.520 56.953 56.400 0.055 0.000 0.946 261 E CB -0.546 29.206 29.700 0.087 0.000 1.009 261 E HN 0.658 nan 8.360 nan 0.000 0.451 262 G N 4.680 113.498 108.800 0.030 0.000 2.179 262 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 262 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 262 G C 0.423 175.334 174.900 0.018 0.000 0.990 262 G CA 0.013 45.125 45.100 0.020 0.000 0.646 262 G HN 0.593 nan 8.290 nan 0.000 0.517 263 R N 0.966 121.479 120.500 0.021 0.000 2.446 263 R HA 0.303 4.644 4.340 0.000 0.000 0.314 263 R C 1.528 177.832 176.300 0.006 0.000 1.003 263 R CA 0.345 56.455 56.100 0.016 0.000 1.018 263 R CB 0.103 30.414 30.300 0.018 0.000 0.945 263 R HN 0.429 nan 8.270 nan 0.000 0.419 264 E N 2.211 122.414 120.200 0.004 0.000 2.219 264 E HA -0.232 4.118 4.350 0.000 0.000 0.198 264 E C -0.304 176.292 176.600 -0.007 0.000 0.998 264 E CA 1.820 58.220 56.400 -0.001 0.000 0.818 264 E CB -0.047 29.652 29.700 -0.001 0.000 0.741 264 E HN 0.769 nan 8.360 nan 0.000 0.477 265 D N -0.293 120.100 120.400 -0.013 0.000 9.936 265 D HA -0.261 4.379 4.640 0.000 0.000 0.297 265 D C 0.088 176.374 176.300 -0.024 0.000 2.809 265 D CA 1.467 55.453 54.000 -0.022 0.000 2.577 265 D CB -0.538 40.252 40.800 -0.017 0.000 1.078 265 D HN 0.328 nan 8.370 nan 0.000 0.807 266 E N 0.978 121.158 120.200 -0.033 0.000 4.287 266 E HA -0.173 4.177 4.350 0.000 0.000 0.423 266 E C -0.702 175.879 176.600 -0.031 0.000 0.527 266 E CA 0.496 56.878 56.400 -0.030 0.000 1.509 266 E CB -0.474 29.214 29.700 -0.020 0.000 1.968 266 E HN 0.738 nan 8.360 nan 0.000 0.308 267 R N -0.284 120.195 120.500 -0.034 0.000 2.807 267 R HA 0.732 5.073 4.340 0.000 0.000 0.276 267 R C 0.190 176.464 176.300 -0.044 0.000 0.979 267 R CA -0.123 55.958 56.100 -0.031 0.000 0.928 267 R CB 2.156 32.445 30.300 -0.018 0.000 1.191 267 R HN 0.060 nan 8.270 nan 0.000 0.471 268 G N -0.304 108.471 108.800 -0.042 0.000 3.021 268 G HA2 0.684 4.644 3.960 0.000 0.000 0.290 268 G HA3 0.684 4.644 3.960 0.000 0.000 0.290 268 G C -1.124 173.758 174.900 -0.031 0.000 1.291 268 G CA -0.588 44.480 45.100 -0.054 0.000 0.834 268 G HN 0.621 nan 8.290 nan 0.000 0.564 269 G N -1.513 107.266 108.800 -0.036 0.000 2.816 269 G HA2 0.573 4.534 3.960 0.000 0.000 0.288 269 G HA3 0.573 4.534 3.960 0.000 0.000 0.288 269 G C -1.575 173.320 174.900 -0.009 0.000 1.334 269 G CA -0.275 44.825 45.100 0.000 0.000 0.978 269 G HN 0.459 nan 8.290 nan 0.000 0.493 270 D N -1.089 119.335 120.400 0.040 0.000 2.506 270 D HA 0.422 5.062 4.640 0.000 0.000 0.254 270 D C 0.185 176.588 176.300 0.171 0.000 1.089 270 D CA -0.469 53.567 54.000 0.060 0.000 1.050 270 D CB 2.005 42.835 40.800 0.049 0.000 1.221 270 D HN 0.390 nan 8.370 nan 0.000 0.589 271 I N -0.460 120.229 120.570 0.198 0.000 2.588 271 I HA 0.145 4.315 4.170 0.000 0.000 0.283 271 I C 0.341 176.542 176.117 0.139 0.000 1.119 271 I CA -0.103 61.355 61.300 0.263 0.000 1.419 271 I CB 0.447 38.586 38.000 0.232 0.000 1.394 271 I HN 0.038 nan 8.210 nan 0.000 0.562 272 D N 5.810 126.264 120.400 0.090 0.000 2.382 272 D HA -0.028 4.613 4.640 0.000 0.000 0.259 272 D C 0.572 176.933 176.300 0.102 0.000 1.224 272 D CA -0.118 53.923 54.000 0.070 0.000 0.894 272 D CB 1.083 41.899 40.800 0.026 0.000 1.127 272 D HN 0.658 nan 8.370 nan 0.000 0.487 273 Q N 3.250 123.099 119.800 0.082 0.000 2.124 273 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 273 Q C 1.886 177.929 176.000 0.071 0.000 0.977 273 Q CA 1.172 57.017 55.803 0.070 0.000 0.850 273 Q CB -0.457 28.309 28.738 0.047 0.000 0.901 273 Q HN 0.670 nan 8.270 nan 0.000 0.429 274 A N 0.828 123.701 122.820 0.088 0.000 1.898 274 A HA -0.214 4.106 4.320 0.000 0.000 0.216 274 A C 2.079 179.725 177.584 0.102 0.000 1.181 274 A CA 1.588 53.681 52.037 0.092 0.000 0.620 274 A CB -0.823 18.241 19.000 0.106 0.000 0.819 274 A HN 0.469 nan 8.150 nan 0.000 0.442 275 H N 0.147 119.254 119.070 0.062 0.000 2.321 275 H HA -0.086 4.471 4.556 0.000 0.000 0.300 275 H C 2.303 177.731 175.328 0.167 0.000 1.087 275 H CA 1.820 57.948 56.048 0.133 0.000 1.319 275 H CB -0.236 29.588 29.762 0.104 0.000 1.379 275 H HN 0.392 nan 8.280 nan 0.000 0.501 276 A N 1.141 124.081 122.820 0.201 0.000 1.940 276 A HA -0.184 4.136 4.320 0.000 0.000 0.219 276 A C 2.379 179.955 177.584 -0.013 0.000 1.176 276 A CA 1.727 53.839 52.037 0.126 0.000 0.631 276 A CB -0.494 18.576 19.000 0.116 0.000 0.814 276 A HN 0.626 nan 8.150 nan 0.000 0.446 277 E N -0.383 119.755 120.200 -0.104 0.000 2.031 277 E HA -0.132 4.218 4.350 0.000 0.000 0.193 277 E C 2.413 178.572 176.600 -0.734 0.000 0.994 277 E CA 0.960 57.183 56.400 -0.295 0.000 0.800 277 E CB -0.333 29.238 29.700 -0.215 0.000 0.752 277 E HN 0.606 nan 8.360 nan 0.000 0.447 278 A N 0.679 122.962 122.820 -0.896 0.000 1.917 278 A HA -0.202 4.118 4.320 0.000 0.000 0.219 278 A C 1.764 178.862 177.584 -0.810 0.000 1.182 278 A CA 1.523 52.823 52.037 -1.228 0.000 0.633 278 A CB -1.029 17.543 19.000 -0.713 0.000 0.819 278 A HN 0.382 nan 8.150 nan 0.000 0.448 279 W N -0.747 120.309 121.300 -0.407 0.000 2.518 279 W HA 0.205 4.865 4.660 0.000 0.000 0.273 279 W C 2.681 179.111 176.519 -0.148 0.000 1.247 279 W CA 0.734 57.934 57.345 -0.242 0.000 1.288 279 W CB -0.099 29.199 29.460 -0.270 0.000 1.107 279 W HN 0.374 nan 8.180 nan 0.000 0.586 280 A N 0.584 123.410 122.820 0.010 0.000 1.933 280 A HA -0.096 4.224 4.320 0.000 0.000 0.218 280 A C 2.091 179.677 177.584 0.003 0.000 1.175 280 A CA 2.286 54.327 52.037 0.007 0.000 0.628 280 A CB -1.150 17.829 19.000 -0.035 0.000 0.814 280 A HN 0.179 nan 8.150 nan 0.000 0.444 281 A N -0.447 122.296 122.820 -0.129 0.000 1.930 281 A HA 0.019 4.339 4.320 0.000 0.000 0.217 281 A C 2.124 179.852 177.584 0.241 0.000 1.175 281 A CA 1.406 53.440 52.037 -0.005 0.000 0.627 281 A CB -0.490 18.347 19.000 -0.271 0.000 0.815 281 A HN 0.529 nan 8.150 nan 0.000 0.443 282 L N -0.013 121.312 121.223 0.170 0.000 2.017 282 L HA -0.152 4.188 4.340 0.000 0.000 0.208 282 L C 2.391 179.336 176.870 0.125 0.000 1.073 282 L CA 2.000 56.951 54.840 0.186 0.000 0.745 282 L CB -0.931 41.118 42.059 -0.017 0.000 0.894 282 L HN 0.421 nan 8.230 nan 0.000 0.432 283 R N -1.199 119.379 120.500 0.130 0.000 2.105 283 R HA -0.220 4.120 4.340 0.000 0.000 0.239 283 R C 2.305 178.699 176.300 0.156 0.000 1.135 283 R CA 1.462 57.622 56.100 0.101 0.000 0.967 283 R CB -0.620 29.758 30.300 0.130 0.000 0.861 283 R HN 0.618 nan 8.270 nan 0.000 0.442 284 H N 0.972 120.100 119.070 0.097 0.000 2.326 284 H HA -0.083 4.473 4.556 0.000 0.000 0.301 284 H C 2.180 177.573 175.328 0.109 0.000 1.081 284 H CA 1.542 57.654 56.048 0.106 0.000 1.334 284 H CB 0.025 29.848 29.762 0.102 0.000 1.385 284 H HN 0.189 nan 8.280 nan 0.000 0.504 285 L N 0.668 121.956 121.223 0.109 0.000 2.017 285 L HA -0.150 4.190 4.340 0.000 0.000 0.208 285 L C 2.800 179.669 176.870 -0.001 0.000 1.073 285 L CA 1.608 56.461 54.840 0.021 0.000 0.745 285 L CB -0.642 41.454 42.059 0.062 0.000 0.894 285 L HN 0.326 nan 8.230 nan 0.000 0.432 286 A N -0.130 122.695 122.820 0.007 0.000 1.917 286 A HA -0.263 4.057 4.320 0.000 0.000 0.219 286 A C 2.044 179.755 177.584 0.211 0.000 1.182 286 A CA 2.075 54.112 52.037 0.000 0.000 0.633 286 A CB -0.620 18.188 19.000 -0.319 0.000 0.819 286 A HN 0.687 nan 8.150 nan 0.000 0.448 287 E N -0.717 119.599 120.200 0.193 0.000 2.285 287 E HA -0.101 4.249 4.350 0.000 0.000 0.194 287 E C 2.008 178.653 176.600 0.074 0.000 0.997 287 E CA 0.607 57.138 56.400 0.217 0.000 0.845 287 E CB -0.116 29.696 29.700 0.187 0.000 0.782 287 E HN 0.603 nan 8.360 nan 0.000 0.491 288 R N 0.474 120.963 120.500 -0.019 0.000 2.246 288 R HA 0.114 4.454 4.340 0.000 0.000 0.199 288 R C 0.770 177.077 176.300 0.011 0.000 0.984 288 R CA 0.528 56.603 56.100 -0.041 0.000 1.015 288 R CB 0.425 30.652 30.300 -0.121 0.000 0.930 288 R HN 0.091 nan 8.270 nan 0.000 0.475 289 G N -0.200 108.629 108.800 0.048 0.000 2.692 289 G HA2 0.155 4.115 3.960 0.000 0.000 0.686 289 G HA3 0.155 4.115 3.960 0.000 0.000 0.686 289 G C -0.317 174.593 174.900 0.017 0.000 1.243 289 G CA -0.723 44.409 45.100 0.052 0.000 0.782 289 G HN 0.537 nan 8.290 nan 0.000 0.625 290 G N -0.099 108.708 108.800 0.013 0.000 2.342 290 G HA2 0.784 4.745 3.960 0.000 0.000 0.297 290 G HA3 0.784 4.745 3.960 0.000 0.000 0.297 290 G C -1.261 173.627 174.900 -0.019 0.000 1.313 290 G CA -0.565 44.526 45.100 -0.016 0.000 0.830 290 G HN 0.915 nan 8.290 nan 0.000 0.506 291 R N -0.387 120.086 120.500 -0.044 0.000 2.532 291 R HA 0.589 4.929 4.340 0.000 0.000 0.297 291 R C -1.083 175.169 176.300 -0.080 0.000 0.984 291 R CA -0.669 55.405 56.100 -0.043 0.000 0.884 291 R CB 2.100 32.376 30.300 -0.040 0.000 1.182 291 R HN 0.348 nan 8.270 nan 0.000 0.442 292 L N 2.827 124.014 121.223 -0.060 0.000 2.343 292 L HA 0.498 4.838 4.340 0.000 0.000 0.278 292 L C 1.022 177.842 176.870 -0.084 0.000 0.996 292 L CA -0.488 54.283 54.840 -0.115 0.000 0.831 292 L CB 1.696 43.706 42.059 -0.082 0.000 1.232 292 L HN 0.971 nan 8.230 nan 0.000 0.413 293 G N 3.030 111.726 108.800 -0.174 0.000 2.629 293 G HA2 -0.330 3.630 3.960 0.000 0.000 0.313 293 G HA3 -0.330 3.630 3.960 0.000 0.000 0.313 293 G C 0.469 175.351 174.900 -0.029 0.000 1.217 293 G CA 0.495 45.499 45.100 -0.160 0.000 0.994 293 G HN 0.731 nan 8.290 nan 0.000 0.549 294 E N -0.030 120.213 120.200 0.070 0.000 2.394 294 E HA 0.406 4.756 4.350 0.000 0.000 0.191 294 E C -0.178 176.315 176.600 -0.179 0.000 1.044 294 E CA -0.137 56.195 56.400 -0.113 0.000 0.939 294 E CB 0.651 30.218 29.700 -0.223 0.000 1.089 294 E HN 0.248 nan 8.360 nan 0.000 0.456 295 V N 1.772 121.709 119.914 0.038 0.000 2.604 295 V HA 0.258 4.378 4.120 0.000 0.000 0.305 295 V C -0.599 175.514 176.094 0.031 0.000 1.043 295 V CA -0.979 61.364 62.300 0.072 0.000 0.888 295 V CB 1.970 33.938 31.823 0.241 0.000 0.995 295 V HN 0.104 nan 8.190 nan 0.000 0.429 296 L N 5.462 126.682 121.223 -0.006 0.000 2.282 296 L HA 0.664 5.005 4.340 0.000 0.000 0.288 296 L C -0.896 175.987 176.870 0.022 0.000 1.033 296 L CA -0.040 54.797 54.840 -0.005 0.000 0.807 296 L CB 1.240 43.281 42.059 -0.031 0.000 1.209 296 L HN 0.615 nan 8.230 nan 0.000 0.423 297 L N 4.782 126.030 121.223 0.041 0.000 2.325 297 L HA 0.679 5.020 4.340 0.000 0.000 0.281 297 L C -0.685 176.250 176.870 0.108 0.000 1.004 297 L CA 0.272 55.160 54.840 0.078 0.000 0.823 297 L CB 1.898 43.991 42.059 0.056 0.000 1.236 297 L HN 0.724 nan 8.230 nan 0.000 0.415 298 T N 5.406 120.054 114.554 0.157 0.000 2.881 298 T HA 0.502 4.852 4.350 0.000 0.000 0.290 298 T C -2.806 172.040 174.700 0.244 0.000 1.000 298 T CA -1.150 61.049 62.100 0.165 0.000 0.978 298 T CB 1.848 70.786 68.868 0.118 0.000 0.997 298 T HN 0.285 nan 8.240 nan 0.000 0.443 299 P HA 0.229 nan 4.420 nan 0.000 0.276 299 P C -1.367 175.983 177.300 0.084 0.000 1.235 299 P CA -0.364 62.785 63.100 0.081 0.000 0.772 299 P CB 0.452 32.183 31.700 0.053 0.000 0.871 300 Y N 3.431 123.643 120.300 -0.147 0.000 2.628 300 Y HA 0.433 4.984 4.550 0.000 0.000 0.354 300 Y C 0.977 176.802 175.900 -0.125 0.000 1.061 300 Y CA 0.632 58.677 58.100 -0.091 0.000 1.251 300 Y CB 0.452 38.882 38.460 -0.050 0.000 1.098 300 Y HN 0.843 nan 8.280 nan 0.000 0.626 301 G N 2.632 111.330 108.800 -0.171 0.000 2.596 301 G HA2 -0.383 3.577 3.960 0.000 0.000 0.304 301 G HA3 -0.383 3.577 3.960 0.000 0.000 0.304 301 G C 1.097 175.908 174.900 -0.148 0.000 1.189 301 G CA 0.204 45.210 45.100 -0.156 0.000 0.986 301 G HN 1.330 nan 8.290 nan 0.000 0.548 302 G N -0.008 108.714 108.800 -0.128 0.000 3.189 302 G HA2 0.555 4.515 3.960 0.000 0.000 0.225 302 G HA3 0.555 4.515 3.960 0.000 0.000 0.225 302 G C 0.667 175.431 174.900 -0.227 0.000 1.159 302 G CA 0.656 45.663 45.100 -0.155 0.000 0.763 302 G HN 0.607 nan 8.290 nan 0.000 0.549 303 L N -1.179 119.916 121.223 -0.213 0.000 2.491 303 L HA 0.722 5.063 4.340 0.000 0.000 0.264 303 L C -0.833 175.744 176.870 -0.489 0.000 1.053 303 L CA -1.225 53.507 54.840 -0.182 0.000 0.858 303 L CB 1.365 43.480 42.059 0.093 0.000 1.519 303 L HN -0.083 nan 8.230 nan 0.000 0.508 304 F N -0.468 119.546 119.950 0.107 0.000 2.547 304 F HA 0.372 4.899 4.527 0.000 0.000 0.316 304 F C -0.050 175.749 175.800 -0.003 0.000 1.121 304 F CA -0.587 57.460 58.000 0.078 0.000 0.911 304 F CB 1.756 40.802 39.000 0.077 0.000 1.179 304 F HN 0.284 nan 8.300 nan 0.000 0.443 305 E N 3.216 123.482 120.200 0.111 0.000 2.216 305 E HA 0.637 4.988 4.350 0.000 0.000 0.279 305 E C -1.664 174.976 176.600 0.067 0.000 0.997 305 E CA -0.689 55.683 56.400 -0.046 0.000 0.817 305 E CB 1.334 30.901 29.700 -0.222 0.000 1.096 305 E HN 0.505 nan 8.360 nan 0.000 0.393 306 L N 4.260 125.528 121.223 0.076 0.000 2.362 306 L HA 0.592 4.932 4.340 0.000 0.000 0.271 306 L C -0.207 176.628 176.870 -0.060 0.000 1.002 306 L CA -0.497 54.413 54.840 0.117 0.000 0.818 306 L CB 1.805 44.043 42.059 0.298 0.000 1.298 306 L HN 0.593 nan 8.230 nan 0.000 0.420 307 R N -0.226 120.086 120.500 -0.313 0.000 2.752 307 R HA 0.500 4.840 4.340 0.000 0.000 0.271 307 R C -0.940 174.939 176.300 -0.701 0.000 1.026 307 R CA -0.993 54.564 56.100 -0.905 0.000 0.901 307 R CB 0.895 30.875 30.300 -0.534 0.000 1.243 307 R HN 0.488 nan 8.270 nan 0.000 0.463 308 H N 1.210 119.729 119.070 -0.918 0.000 2.928 308 H HA -0.008 4.548 4.556 0.000 0.000 0.338 308 H C 0.626 175.840 175.328 -0.191 0.000 1.047 308 H CA 1.552 57.413 56.048 -0.312 0.000 1.435 308 H CB 1.477 31.105 29.762 -0.223 0.000 1.428 308 H HN 0.804 nan 8.280 nan 0.000 0.590 309 T N 2.217 116.782 114.554 0.018 0.000 2.849 309 T HA -0.140 4.211 4.350 0.000 0.000 0.270 309 T C 2.337 177.110 174.700 0.122 0.000 1.066 309 T CA 1.049 63.180 62.100 0.053 0.000 1.130 309 T CB -0.112 68.763 68.868 0.011 0.000 0.864 309 T HN 0.550 nan 8.240 nan 0.000 0.481 310 L N 0.723 122.125 121.223 0.299 0.000 2.376 310 L HA 0.029 4.369 4.340 0.000 0.000 0.219 310 L C 1.701 178.555 176.870 -0.028 0.000 1.133 310 L CA 0.937 55.822 54.840 0.076 0.000 0.816 310 L CB -0.309 41.716 42.059 -0.058 0.000 0.933 310 L HN 0.185 nan 8.230 nan 0.000 0.449 311 D N -0.325 120.047 120.400 -0.046 0.000 2.328 311 D HA -0.015 4.625 4.640 0.000 0.000 0.221 311 D C 0.664 176.914 176.300 -0.084 0.000 1.072 311 D CA 0.094 54.033 54.000 -0.102 0.000 0.850 311 D CB 0.094 40.784 40.800 -0.184 0.000 0.922 311 D HN 0.323 nan 8.370 nan 0.000 0.516 312 E N -0.014 120.156 120.200 -0.051 0.000 2.502 312 E HA 0.124 4.474 4.350 0.000 0.000 0.261 312 E C 1.221 177.801 176.600 -0.034 0.000 0.974 312 E CA 0.832 57.208 56.400 -0.040 0.000 0.936 312 E CB 0.289 29.977 29.700 -0.020 0.000 0.926 312 E HN 0.242 nan 8.360 nan 0.000 0.459 313 G N 3.921 112.705 108.800 -0.027 0.000 2.245 313 G HA2 -0.393 3.568 3.960 0.000 0.000 0.264 313 G HA3 -0.393 3.568 3.960 0.000 0.000 0.264 313 G C 0.458 175.344 174.900 -0.024 0.000 0.985 313 G CA 0.545 45.634 45.100 -0.019 0.000 0.625 313 G HN 0.644 nan 8.290 nan 0.000 0.536 314 R N 1.244 121.720 120.500 -0.039 0.000 2.491 314 R HA 0.574 4.914 4.340 0.000 0.000 0.283 314 R C 1.085 177.366 176.300 -0.032 0.000 1.072 314 R CA 0.257 56.332 56.100 -0.042 0.000 1.048 314 R CB 0.220 30.482 30.300 -0.064 0.000 0.983 314 R HN 0.775 nan 8.270 nan 0.000 0.450 315 A N 3.649 126.456 122.820 -0.021 0.000 2.565 315 A HA -0.013 4.307 4.320 0.000 0.000 0.237 315 A C 1.143 178.720 177.584 -0.012 0.000 1.053 315 A CA 0.274 52.306 52.037 -0.010 0.000 0.755 315 A CB 0.208 19.205 19.000 -0.006 0.000 0.980 315 A HN 0.986 nan 8.150 nan 0.000 0.506 316 T N 2.706 117.261 114.554 0.001 0.000 2.720 316 T HA -0.152 4.198 4.350 0.000 0.000 0.268 316 T C 1.562 176.263 174.700 0.003 0.000 1.037 316 T CA 1.936 64.037 62.100 0.002 0.000 1.144 316 T CB -0.362 68.523 68.868 0.027 0.000 0.864 316 T HN 0.526 nan 8.240 nan 0.000 0.444 317 L N 0.757 121.984 121.223 0.008 0.000 2.610 317 L HA 0.050 4.390 4.340 0.000 0.000 0.232 317 L C 1.864 178.736 176.870 0.004 0.000 1.149 317 L CA 0.563 55.409 54.840 0.009 0.000 0.872 317 L CB -0.283 41.783 42.059 0.012 0.000 0.992 317 L HN 0.123 nan 8.230 nan 0.000 0.447 318 D N -0.135 120.262 120.400 -0.004 0.000 2.340 318 D HA 0.134 4.774 4.640 0.000 0.000 0.220 318 D C 0.450 176.743 176.300 -0.012 0.000 1.039 318 D CA 0.381 54.376 54.000 -0.008 0.000 0.866 318 D CB 0.340 41.131 40.800 -0.016 0.000 0.913 318 D HN 0.139 nan 8.370 nan 0.000 0.523 319 L N 0.030 121.247 121.223 -0.010 0.000 2.286 319 L HA 0.448 4.788 4.340 0.000 0.000 0.265 319 L C 0.012 176.898 176.870 0.027 0.000 1.012 319 L CA -1.041 53.796 54.840 -0.006 0.000 0.818 319 L CB 1.869 43.905 42.059 -0.038 0.000 1.337 319 L HN -0.242 nan 8.230 nan 0.000 0.438 320 Q N 0.908 120.745 119.800 0.063 0.000 2.372 320 Q HA 0.312 4.653 4.340 0.000 0.000 0.259 320 Q C -1.282 174.779 176.000 0.102 0.000 0.993 320 Q CA -0.433 55.417 55.803 0.078 0.000 0.854 320 Q CB 1.337 30.130 28.738 0.092 0.000 1.231 320 Q HN 0.594 nan 8.270 nan 0.000 0.462 321 T N 3.305 117.901 114.554 0.069 0.000 2.845 321 T HA 0.422 4.773 4.350 0.000 0.000 0.288 321 T C -0.251 174.489 174.700 0.066 0.000 0.980 321 T CA -0.524 61.616 62.100 0.067 0.000 1.071 321 T CB 0.971 69.859 68.868 0.033 0.000 0.941 321 T HN 0.501 nan 8.240 nan 0.000 0.487 322 V N 1.394 121.355 119.914 0.077 0.000 2.815 322 V HA 0.769 4.889 4.120 0.000 0.000 0.314 322 V C 0.567 176.688 176.094 0.045 0.000 1.064 322 V CA -0.885 61.446 62.300 0.051 0.000 0.952 322 V CB 1.637 33.481 31.823 0.034 0.000 1.020 322 V HN 0.705 nan 8.190 nan 0.000 0.439 323 V N -0.897 119.038 119.914 0.034 0.000 3.346 323 V HA 0.430 4.550 4.120 0.000 0.000 0.309 323 V C 0.515 176.628 176.094 0.032 0.000 1.457 323 V CA 0.705 63.026 62.300 0.036 0.000 1.069 323 V CB -0.537 31.307 31.823 0.036 0.000 0.944 323 V HN 1.177 nan 8.190 nan 0.000 0.449 324 T N -3.429 111.138 114.554 0.021 0.000 2.924 324 T HA 0.646 4.997 4.350 0.000 0.000 0.291 324 T C -2.094 172.606 174.700 -0.000 0.000 1.045 324 T CA -1.703 60.406 62.100 0.014 0.000 1.015 324 T CB 1.994 70.866 68.868 0.007 0.000 1.103 324 T HN -0.035 nan 8.240 nan 0.000 0.496 325 P HA -0.074 nan 4.420 nan 0.000 0.216 325 P C 1.090 178.364 177.300 -0.043 0.000 1.150 325 P CA 1.126 64.212 63.100 -0.023 0.000 0.843 325 P CB 0.122 31.812 31.700 -0.017 0.000 0.787 326 E N -0.908 119.275 120.200 -0.030 0.000 2.107 326 E HA -0.047 4.303 4.350 0.000 0.000 0.191 326 E C 2.275 178.845 176.600 -0.049 0.000 0.982 326 E CA 1.355 57.735 56.400 -0.033 0.000 0.809 326 E CB -1.168 28.524 29.700 -0.014 0.000 0.756 326 E HN 0.220 nan 8.360 nan 0.000 0.459 327 G N 0.886 109.661 108.800 -0.042 0.000 2.402 327 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 327 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 327 G C 1.502 176.341 174.900 -0.102 0.000 1.162 327 G CA 0.631 45.701 45.100 -0.049 0.000 0.777 327 G HN 0.200 nan 8.290 nan 0.000 0.539 328 L N 1.046 122.196 121.223 -0.121 0.000 1.990 328 L HA -0.082 4.258 4.340 0.000 0.000 0.213 328 L C 2.676 179.351 176.870 -0.325 0.000 1.072 328 L CA 2.403 57.095 54.840 -0.246 0.000 0.755 328 L CB -0.618 41.323 42.059 -0.198 0.000 0.889 328 L HN 0.201 nan 8.230 nan 0.000 0.432 329 R N -0.230 120.136 120.500 -0.224 0.000 2.096 329 R HA -0.206 4.134 4.340 0.000 0.000 0.240 329 R C 1.891 178.056 176.300 -0.224 0.000 1.139 329 R CA 2.290 58.257 56.100 -0.222 0.000 0.952 329 R CB -0.845 29.376 30.300 -0.132 0.000 0.854 329 R HN 0.506 nan 8.270 nan 0.000 0.436 330 D N 0.576 120.884 120.400 -0.154 0.000 2.117 330 D HA -0.142 4.498 4.640 0.000 0.000 0.197 330 D C 1.944 178.156 176.300 -0.146 0.000 0.987 330 D CA 0.831 54.766 54.000 -0.108 0.000 0.829 330 D CB -0.171 40.598 40.800 -0.052 0.000 0.961 330 D HN 0.164 nan 8.370 nan 0.000 0.460 331 L N 0.590 121.694 121.223 -0.197 0.000 2.275 331 L HA -0.053 4.287 4.340 0.000 0.000 0.215 331 L C 2.168 178.840 176.870 -0.329 0.000 1.119 331 L CA 1.349 56.060 54.840 -0.215 0.000 0.790 331 L CB -0.894 41.039 42.059 -0.211 0.000 0.919 331 L HN 0.135 nan 8.230 nan 0.000 0.443 332 T N -5.652 108.639 114.554 -0.438 0.000 3.092 332 T HA 0.288 4.638 4.350 0.000 0.000 0.258 332 T C 1.637 176.110 174.700 -0.380 0.000 1.031 332 T CA 0.384 62.208 62.100 -0.460 0.000 0.925 332 T CB 0.144 68.623 68.868 -0.647 0.000 1.036 332 T HN 0.105 nan 8.240 nan 0.000 0.544 333 A N 1.641 124.244 122.820 -0.360 0.000 2.066 333 A HA 0.281 4.602 4.320 0.000 0.000 0.218 333 A C 1.230 178.515 177.584 -0.499 0.000 1.157 333 A CA 0.317 52.034 52.037 -0.534 0.000 0.670 333 A CB -0.093 18.627 19.000 -0.467 0.000 0.804 333 A HN 0.533 nan 8.150 nan 0.000 0.453 334 R N 0.025 120.398 120.500 -0.212 0.000 2.807 334 R HA 0.423 4.763 4.340 0.000 0.000 0.276 334 R C -1.196 175.075 176.300 -0.048 0.000 0.979 334 R CA -0.586 55.466 56.100 -0.079 0.000 0.928 334 R CB 1.259 31.594 30.300 0.058 0.000 1.191 334 R HN 0.404 nan 8.270 nan 0.000 0.471 335 D N 0.219 120.616 120.400 -0.005 0.000 2.414 335 D HA -0.024 4.616 4.640 0.000 0.000 0.251 335 D C 0.346 176.674 176.300 0.046 0.000 1.252 335 D CA -0.344 53.676 54.000 0.034 0.000 0.999 335 D CB 0.539 41.375 40.800 0.060 0.000 1.093 335 D HN 0.519 nan 8.370 nan 0.000 0.515 336 E N -0.835 119.397 120.200 0.053 0.000 2.331 336 E HA -0.140 4.210 4.350 0.000 0.000 0.199 336 E C 1.393 178.019 176.600 0.044 0.000 1.008 336 E CA 1.096 57.524 56.400 0.046 0.000 0.843 336 E CB -0.180 29.543 29.700 0.037 0.000 0.761 336 E HN 0.554 nan 8.360 nan 0.000 0.507 337 A N 0.115 122.965 122.820 0.051 0.000 2.278 337 A HA 0.291 4.611 4.320 0.000 0.000 0.212 337 A C 1.599 179.218 177.584 0.058 0.000 1.213 337 A CA 0.601 52.669 52.037 0.052 0.000 0.840 337 A CB -0.236 18.798 19.000 0.056 0.000 0.866 337 A HN 0.285 nan 8.150 nan 0.000 0.489 338 G N -0.291 108.545 108.800 0.060 0.000 2.160 338 G HA2 -0.282 3.678 3.960 0.000 0.000 0.251 338 G HA3 -0.282 3.678 3.960 0.000 0.000 0.251 338 G C 0.230 175.188 174.900 0.095 0.000 1.008 338 G CA 0.411 45.554 45.100 0.071 0.000 0.724 338 G HN 0.653 nan 8.290 nan 0.000 0.514 339 R N -0.866 119.691 120.500 0.094 0.000 2.410 339 R HA 0.315 4.655 4.340 0.000 0.000 0.288 339 R C 0.573 176.958 176.300 0.141 0.000 1.051 339 R CA -0.746 55.427 56.100 0.121 0.000 1.021 339 R CB 0.896 31.261 30.300 0.107 0.000 1.032 339 R HN 0.361 nan 8.270 nan 0.000 0.481 340 W N 3.563 124.822 121.300 -0.067 0.000 2.193 340 W HA 0.011 4.671 4.660 0.000 0.000 0.338 340 W C -0.344 176.076 176.519 -0.164 0.000 1.310 340 W CA 0.035 57.308 57.345 -0.121 0.000 1.243 340 W CB 0.585 29.952 29.460 -0.155 0.000 1.165 340 W HN 0.376 nan 8.180 nan 0.000 0.566 341 R N 6.223 126.368 120.500 -0.591 0.000 2.575 341 R HA 0.123 4.463 4.340 0.000 0.000 0.281 341 R C -1.406 174.469 176.300 -0.708 0.000 1.272 341 R CA -1.318 54.456 56.100 -0.545 0.000 1.417 341 R CB 0.804 30.849 30.300 -0.426 0.000 1.121 341 R HN 0.324 nan 8.270 nan 0.000 0.583 342 P HA -0.099 nan 4.420 nan 0.000 0.217 342 P C 0.308 177.383 177.300 -0.375 0.000 1.150 342 P CA 1.073 63.933 63.100 -0.400 0.000 0.832 342 P CB 0.390 31.958 31.700 -0.221 0.000 0.787 343 I N 0.822 121.079 120.570 -0.522 0.000 2.307 343 I HA 0.234 4.404 4.170 0.000 0.000 0.289 343 I C 1.634 177.603 176.117 -0.247 0.000 1.021 343 I CA -0.613 60.450 61.300 -0.395 0.000 1.224 343 I CB 0.859 38.510 38.000 -0.581 0.000 1.376 343 I HN -0.131 nan 8.210 nan 0.000 0.470 344 R N 2.275 122.721 120.500 -0.089 0.000 2.276 344 R HA -0.050 4.290 4.340 0.000 0.000 0.203 344 R C 1.606 178.056 176.300 0.251 0.000 1.017 344 R CA 1.030 57.132 56.100 0.004 0.000 1.010 344 R CB 0.072 30.350 30.300 -0.036 0.000 0.900 344 R HN 0.760 nan 8.270 nan 0.000 0.469 345 T N -3.014 111.687 114.554 0.245 0.000 3.148 345 T HA -0.005 4.346 4.350 0.000 0.000 0.253 345 T C 0.253 175.159 174.700 0.342 0.000 1.134 345 T CA -0.359 61.898 62.100 0.261 0.000 1.051 345 T CB -0.031 68.915 68.868 0.129 0.000 0.959 345 T HN 0.036 nan 8.240 nan 0.000 0.525 346 W N 2.675 123.997 121.300 0.036 0.000 2.170 346 W HA 0.315 4.975 4.660 0.000 0.000 0.342 346 W C 1.234 177.781 176.519 0.047 0.000 1.294 346 W CA -1.628 55.728 57.345 0.018 0.000 1.246 346 W CB 0.179 29.632 29.460 -0.013 0.000 1.156 346 W HN 0.037 nan 8.180 nan 0.000 0.572 347 R N 2.081 122.681 120.500 0.168 0.000 4.779 347 R HA 0.024 4.364 4.340 0.000 0.000 0.217 347 R C 0.468 176.856 176.300 0.146 0.000 1.934 347 R CA 0.689 56.856 56.100 0.112 0.000 1.623 347 R CB -0.688 29.620 30.300 0.014 0.000 1.364 347 R HN 0.595 nan 8.270 nan 0.000 0.799 348 T N -2.490 112.183 114.554 0.199 0.000 3.399 348 T HA 0.099 4.450 4.350 0.000 0.000 0.305 348 T C 0.033 174.834 174.700 0.168 0.000 0.983 348 T CA -0.577 61.629 62.100 0.177 0.000 0.967 348 T CB 0.039 69.026 68.868 0.198 0.000 1.186 348 T HN 0.117 nan 8.240 nan 0.000 0.504 349 L N 4.600 125.955 121.223 0.220 0.000 2.455 349 L HA 0.413 4.754 4.340 0.000 0.000 0.272 349 L C -2.277 174.795 176.870 0.336 0.000 1.174 349 L CA -1.500 53.477 54.840 0.228 0.000 0.869 349 L CB 0.337 42.533 42.059 0.228 0.000 1.130 349 L HN 0.009 nan 8.230 nan 0.000 0.474 350 P HA 0.175 nan 4.420 nan 0.000 0.274 350 P C -0.868 176.646 177.300 0.356 0.000 1.237 350 P CA -0.321 62.918 63.100 0.231 0.000 0.793 350 P CB 0.737 32.530 31.700 0.155 0.000 0.977 351 R N -0.145 120.403 120.500 0.080 0.000 2.531 351 R HA 0.529 4.869 4.340 0.000 0.000 0.260 351 R C 1.122 177.464 176.300 0.070 0.000 1.144 351 R CA 0.132 56.207 56.100 -0.043 0.000 1.171 351 R CB -0.215 29.950 30.300 -0.225 0.000 1.199 351 R HN 0.796 nan 8.270 nan 0.000 0.594 352 G N -0.334 108.421 108.800 -0.076 0.000 2.176 352 G HA2 -0.169 3.791 3.960 0.000 0.000 0.232 352 G HA3 -0.169 3.791 3.960 0.000 0.000 0.232 352 G C -0.279 174.646 174.900 0.042 0.000 0.986 352 G CA 0.129 45.220 45.100 -0.015 0.000 0.643 352 G HN 0.650 nan 8.290 nan 0.000 0.522 353 W N 0.565 121.865 121.300 -0.000 0.000 2.576 353 W HA 0.878 5.538 4.660 0.000 0.000 0.360 353 W C 0.039 176.554 176.519 -0.006 0.000 1.109 353 W CA -0.705 56.637 57.345 -0.005 0.000 1.237 353 W CB 0.694 30.149 29.460 -0.010 0.000 1.369 353 W HN 0.611 nan 8.180 nan 0.000 0.609 354 R N 0.967 121.614 120.500 0.245 0.000 2.643 354 R HA 0.747 5.087 4.340 0.000 0.000 0.269 354 R C -1.993 174.467 176.300 0.267 0.000 1.037 354 R CA -0.746 55.437 56.100 0.138 0.000 0.894 354 R CB 1.472 31.720 30.300 -0.087 0.000 1.238 354 R HN 0.653 nan 8.270 nan 0.000 0.459 355 A N 2.509 125.488 122.820 0.265 0.000 2.331 355 A HA 0.634 4.954 4.320 0.000 0.000 0.320 355 A C -0.902 176.711 177.584 0.049 0.000 1.138 355 A CA -0.808 51.333 52.037 0.174 0.000 0.790 355 A CB 1.795 20.928 19.000 0.222 0.000 1.206 355 A HN 0.419 nan 8.150 nan 0.000 0.470 356 V N 4.251 124.170 119.914 0.008 0.000 2.334 356 V HA 0.414 4.534 4.120 0.000 0.000 0.281 356 V C -0.364 175.761 176.094 0.052 0.000 1.016 356 V CA -0.150 62.129 62.300 -0.035 0.000 0.832 356 V CB 0.772 32.527 31.823 -0.113 0.000 0.999 356 V HN 0.754 nan 8.190 nan 0.000 0.439 357 L N 4.066 125.357 121.223 0.113 0.000 2.346 357 L HA 0.598 4.938 4.340 0.000 0.000 0.276 357 L C 0.651 177.646 176.870 0.208 0.000 1.006 357 L CA -0.515 54.415 54.840 0.150 0.000 0.817 357 L CB 2.422 44.579 42.059 0.164 0.000 1.272 357 L HN 0.740 nan 8.230 nan 0.000 0.421 358 S N 1.492 117.287 115.700 0.158 0.000 2.584 358 S HA 0.203 4.673 4.470 0.000 0.000 0.270 358 S C -1.932 172.824 174.600 0.260 0.000 1.346 358 S CA -0.880 57.418 58.200 0.163 0.000 1.018 358 S CB 0.826 64.089 63.200 0.104 0.000 0.899 358 S HN 0.449 nan 8.310 nan 0.000 0.542 359 P HA -0.016 nan 4.420 nan 0.000 0.218 359 P C 1.421 178.834 177.300 0.188 0.000 1.148 359 P CA 1.668 64.995 63.100 0.379 0.000 0.822 359 P CB -0.232 31.662 31.700 0.324 0.000 0.784 360 A N -0.339 122.557 122.820 0.128 0.000 2.015 360 A HA -0.156 4.164 4.320 0.000 0.000 0.219 360 A C 1.734 179.345 177.584 0.044 0.000 1.163 360 A CA 1.744 53.824 52.037 0.072 0.000 0.646 360 A CB -1.002 18.033 19.000 0.059 0.000 0.806 360 A HN 0.074 nan 8.150 nan 0.000 0.448 361 D N -1.082 119.357 120.400 0.065 0.000 2.360 361 D HA 0.062 4.702 4.640 0.000 0.000 0.210 361 D C 1.599 177.912 176.300 0.021 0.000 1.047 361 D CA 0.023 54.044 54.000 0.036 0.000 0.854 361 D CB 0.085 40.916 40.800 0.052 0.000 0.936 361 D HN 0.310 nan 8.370 nan 0.000 0.514 362 L N 1.207 122.452 121.223 0.036 0.000 2.013 362 L HA -0.168 4.172 4.340 0.000 0.000 0.212 362 L C 2.291 179.143 176.870 -0.029 0.000 1.073 362 L CA 1.773 56.613 54.840 -0.001 0.000 0.753 362 L CB -0.217 41.781 42.059 -0.101 0.000 0.890 362 L HN -0.132 nan 8.230 nan 0.000 0.432 363 R N -1.045 119.365 120.500 -0.150 0.000 2.070 363 R HA -0.200 4.141 4.340 0.000 0.000 0.233 363 R C 2.307 178.411 176.300 -0.328 0.000 1.137 363 R CA 2.019 57.842 56.100 -0.461 0.000 0.945 363 R CB -0.558 29.274 30.300 -0.779 0.000 0.845 363 R HN 0.402 nan 8.270 nan 0.000 0.430 364 L N 0.612 121.717 121.223 -0.198 0.000 2.046 364 L HA -0.004 4.336 4.340 0.000 0.000 0.208 364 L C 2.133 178.981 176.870 -0.037 0.000 1.077 364 L CA 2.348 57.126 54.840 -0.105 0.000 0.747 364 L CB -1.106 40.911 42.059 -0.070 0.000 0.896 364 L HN 0.331 nan 8.230 nan 0.000 0.432 365 G N -0.252 108.535 108.800 -0.021 0.000 2.491 365 G HA2 -0.280 3.681 3.960 0.000 0.000 0.218 365 G HA3 -0.280 3.681 3.960 0.000 0.000 0.218 365 G C 1.505 176.420 174.900 0.025 0.000 1.180 365 G CA 1.014 46.112 45.100 -0.003 0.000 0.774 365 G HN 0.346 nan 8.290 nan 0.000 0.562 366 L N 0.693 121.976 121.223 0.101 0.000 2.141 366 L HA 0.039 4.379 4.340 0.000 0.000 0.209 366 L C 2.584 179.606 176.870 0.253 0.000 1.094 366 L CA 1.705 56.669 54.840 0.207 0.000 0.763 366 L CB -0.826 41.452 42.059 0.366 0.000 0.908 366 L HN 0.288 nan 8.230 nan 0.000 0.437 367 E N -0.484 119.861 120.200 0.243 0.000 2.152 367 E HA -0.123 4.227 4.350 0.000 0.000 0.192 367 E C 2.214 178.891 176.600 0.128 0.000 0.983 367 E CA 1.015 57.561 56.400 0.243 0.000 0.818 367 E CB -0.108 29.695 29.700 0.172 0.000 0.758 367 E HN 0.444 nan 8.360 nan 0.000 0.467 368 L N -0.214 121.040 121.223 0.052 0.000 2.270 368 L HA -0.009 4.331 4.340 0.000 0.000 0.210 368 L C 2.208 179.035 176.870 -0.072 0.000 1.104 368 L CA 0.281 55.120 54.840 -0.001 0.000 0.804 368 L CB -0.278 41.764 42.059 -0.028 0.000 0.937 368 L HN 0.216 nan 8.230 nan 0.000 0.450 369 L N -0.867 120.297 121.223 -0.098 0.000 2.044 369 L HA -0.101 4.239 4.340 0.000 0.000 0.205 369 L C 0.091 176.797 176.870 -0.274 0.000 1.075 369 L CA 1.846 56.529 54.840 -0.262 0.000 0.747 369 L CB -0.089 41.798 42.059 -0.286 0.000 0.903 369 L HN 0.052 nan 8.230 nan 0.000 0.435 370 Y N 0.094 120.393 120.300 -0.001 0.000 2.592 370 Y HA 0.432 4.982 4.550 0.000 0.000 0.354 370 Y C -2.321 173.610 175.900 0.051 0.000 1.063 370 Y CA -3.735 54.371 58.100 0.010 0.000 1.205 370 Y CB -0.026 38.441 38.460 0.010 0.000 1.106 370 Y HN 0.093 nan 8.280 nan 0.000 0.649 371 P HA 0.148 nan 4.420 nan 0.000 0.264 371 P C 0.555 177.955 177.300 0.167 0.000 1.193 371 P CA 1.391 64.595 63.100 0.173 0.000 0.763 371 P CB 1.059 32.839 31.700 0.132 0.000 0.810 372 A N 1.836 124.767 122.820 0.185 0.000 3.383 372 A HA -0.223 4.098 4.320 0.000 0.000 0.264 372 A C 1.455 179.109 177.584 0.118 0.000 1.154 372 A CA 1.429 53.562 52.037 0.159 0.000 1.179 372 A CB -2.634 16.447 19.000 0.135 0.000 1.133 372 A HN 0.350 nan 8.150 nan 0.000 0.933 373 V N -0.023 119.948 119.914 0.095 0.000 2.379 373 V HA -0.198 3.922 4.120 0.000 0.000 0.245 373 V C 2.363 178.458 176.094 0.003 0.000 1.044 373 V CA 1.952 64.263 62.300 0.018 0.000 1.036 373 V CB -0.539 31.242 31.823 -0.070 0.000 0.664 373 V HN 0.651 nan 8.190 nan 0.000 0.453 374 I N 0.455 120.992 120.570 -0.055 0.000 2.163 374 I HA -0.210 3.960 4.170 0.000 0.000 0.243 374 I C 2.457 178.539 176.117 -0.059 0.000 1.085 374 I CA 1.523 62.719 61.300 -0.173 0.000 1.347 374 I CB -1.190 36.317 38.000 -0.822 0.000 1.044 374 I HN 0.358 nan 8.210 nan 0.000 0.408 375 E N 0.478 120.646 120.200 -0.053 0.000 2.028 375 E HA -0.175 4.175 4.350 0.000 0.000 0.191 375 E C 2.193 178.868 176.600 0.125 0.000 0.988 375 E CA 1.215 57.635 56.400 0.033 0.000 0.799 375 E CB -0.238 29.543 29.700 0.135 0.000 0.755 375 E HN 0.497 nan 8.360 nan 0.000 0.447 376 E N 0.109 120.385 120.200 0.126 0.000 2.110 376 E HA -0.110 4.240 4.350 0.000 0.000 0.193 376 E C 2.061 178.759 176.600 0.163 0.000 0.988 376 E CA 1.102 57.585 56.400 0.140 0.000 0.804 376 E CB -0.009 29.759 29.700 0.113 0.000 0.745 376 E HN 0.044 nan 8.360 nan 0.000 0.458 377 S N 0.017 115.826 115.700 0.181 0.000 2.387 377 S HA -0.131 4.339 4.470 0.000 0.000 0.226 377 S C 1.640 176.418 174.600 0.296 0.000 1.026 377 S CA 0.648 58.993 58.200 0.243 0.000 0.972 377 S CB -0.220 63.111 63.200 0.218 0.000 0.814 377 S HN 0.339 nan 8.310 nan 0.000 0.477 378 Y N 2.451 122.810 120.300 0.100 0.000 2.163 378 Y HA -0.044 4.506 4.550 0.000 0.000 0.288 378 Y C 2.438 178.334 175.900 -0.007 0.000 1.136 378 Y CA 0.937 58.917 58.100 -0.200 0.000 1.147 378 Y CB -0.872 37.344 38.460 -0.407 0.000 0.987 378 Y HN 0.204 nan 8.280 nan 0.000 0.509 379 A N -0.640 122.243 122.820 0.106 0.000 1.917 379 A HA -0.320 4.000 4.320 0.000 0.000 0.219 379 A C 2.058 179.672 177.584 0.050 0.000 1.182 379 A CA 2.294 54.382 52.037 0.084 0.000 0.633 379 A CB -1.323 17.769 19.000 0.154 0.000 0.819 379 A HN 0.723 nan 8.150 nan 0.000 0.448 380 H N -0.782 118.287 119.070 -0.002 0.000 2.395 380 H HA -0.049 4.507 4.556 0.000 0.000 0.299 380 H C 1.966 177.231 175.328 -0.104 0.000 1.070 380 H CA 1.760 57.802 56.048 -0.009 0.000 1.356 380 H CB -0.062 29.715 29.762 0.025 0.000 1.401 380 H HN 0.494 nan 8.280 nan 0.000 0.524 381 E N 0.095 120.157 120.200 -0.231 0.000 2.097 381 E HA -0.199 4.151 4.350 0.000 0.000 0.196 381 E C 0.909 177.103 176.600 -0.677 0.000 1.000 381 E CA 1.596 57.720 56.400 -0.461 0.000 0.804 381 E CB -0.266 29.104 29.700 -0.550 0.000 0.740 381 E HN 0.655 nan 8.360 nan 0.000 0.454 382 H N 0.309 119.164 119.070 -0.358 0.000 2.568 382 H HA 0.281 4.837 4.556 0.000 0.000 0.302 382 H C -0.062 175.150 175.328 -0.195 0.000 1.065 382 H CA 0.399 56.271 56.048 -0.294 0.000 1.140 382 H CB -0.134 29.403 29.762 -0.374 0.000 1.474 382 H HN 0.141 nan 8.280 nan 0.000 0.545 383 R N 1.107 121.505 120.500 -0.170 0.000 3.405 383 R HA -0.208 4.132 4.340 0.000 0.000 0.258 383 R C 0.280 176.580 176.300 -0.000 0.000 1.030 383 R CA 0.785 56.815 56.100 -0.116 0.000 0.691 383 R CB -1.696 28.546 30.300 -0.096 0.000 1.093 383 R HN 0.550 nan 8.270 nan 0.000 0.448 384 R N -0.343 120.178 120.500 0.036 0.000 2.690 384 R HA 0.207 4.548 4.340 0.000 0.000 0.419 384 R C -0.403 175.975 176.300 0.131 0.000 1.090 384 R CA -0.719 55.426 56.100 0.076 0.000 1.064 384 R CB 0.426 30.758 30.300 0.054 0.000 1.391 384 R HN 0.057 nan 8.270 nan 0.000 0.586 385 L N 2.017 123.354 121.223 0.191 0.000 2.257 385 L HA 0.327 4.668 4.340 0.000 0.000 0.290 385 L C -0.601 176.437 176.870 0.280 0.000 1.044 385 L CA -0.705 54.281 54.840 0.243 0.000 0.810 385 L CB 0.631 42.863 42.059 0.287 0.000 1.193 385 L HN 0.257 nan 8.230 nan 0.000 0.425 386 H N 6.092 125.241 119.070 0.132 0.000 2.690 386 H HA 0.335 4.891 4.556 0.000 0.000 0.314 386 H C -1.005 174.425 175.328 0.170 0.000 1.069 386 H CA -0.437 55.647 56.048 0.061 0.000 1.436 386 H CB 0.446 30.209 29.762 0.002 0.000 1.462 386 H HN 0.634 nan 8.280 nan 0.000 0.511 387 W N 3.790 124.854 121.300 -0.394 0.000 2.578 387 W HA 0.509 5.170 4.660 0.001 0.000 0.346 387 W C -1.345 174.903 176.519 -0.452 0.000 1.075 387 W CA -1.134 56.032 57.345 -0.298 0.000 1.233 387 W CB 0.671 30.119 29.460 -0.021 0.000 1.358 387 W HN 0.413 nan 8.180 nan 0.000 0.574 388 T N 3.862 118.511 114.554 0.159 0.000 2.743 388 T HA 0.273 4.624 4.350 0.000 0.000 0.292 388 T C -2.378 172.535 174.700 0.354 0.000 0.972 388 T CA -1.198 60.959 62.100 0.095 0.000 0.967 388 T CB 1.218 70.096 68.868 0.017 0.000 0.926 388 T HN 0.009 nan 8.240 nan 0.000 0.459 389 P HA -0.073 nan 4.420 nan 0.000 0.265 389 P C 0.925 178.406 177.300 0.300 0.000 1.187 389 P CA -0.353 63.034 63.100 0.478 0.000 0.766 389 P CB 0.539 32.427 31.700 0.313 0.000 0.820 390 W N 4.209 125.654 121.300 0.241 0.000 2.290 390 W HA -0.297 4.364 4.660 0.001 0.000 0.318 390 W C 1.371 177.908 176.519 0.029 0.000 1.248 390 W CA 1.765 59.143 57.345 0.054 0.000 1.263 390 W CB -0.622 28.949 29.460 0.185 0.000 1.147 390 W HN 0.265 nan 8.180 nan 0.000 0.494 391 M N 1.129 120.738 119.600 0.014 0.000 2.254 391 M HA -0.127 4.353 4.480 0.000 0.000 0.265 391 M C 2.541 178.743 176.300 -0.162 0.000 1.066 391 M CA 2.188 57.422 55.300 -0.109 0.000 1.123 391 M CB -0.940 31.732 32.600 0.120 0.000 1.388 391 M HN -0.058 nan 8.290 nan 0.000 0.425 392 S N -0.920 114.729 115.700 -0.085 0.000 2.370 392 S HA -0.161 4.309 4.470 0.000 0.000 0.226 392 S C 1.798 176.293 174.600 -0.175 0.000 1.033 392 S CA 2.094 60.242 58.200 -0.086 0.000 1.011 392 S CB -0.434 62.755 63.200 -0.019 0.000 0.852 392 S HN 0.654 nan 8.310 nan 0.000 0.457 393 T N 1.741 116.125 114.554 -0.283 0.000 2.777 393 T HA 0.081 4.431 4.350 0.000 0.000 0.266 393 T C 2.058 176.506 174.700 -0.419 0.000 1.040 393 T CA 1.210 63.104 62.100 -0.343 0.000 1.141 393 T CB -0.580 68.019 68.868 -0.448 0.000 0.868 393 T HN 0.496 nan 8.240 nan 0.000 0.444 394 A N 1.731 124.168 122.820 -0.640 0.000 1.898 394 A HA -0.033 4.287 4.320 0.000 0.000 0.216 394 A C 2.359 179.788 177.584 -0.257 0.000 1.181 394 A CA 1.075 52.766 52.037 -0.576 0.000 0.620 394 A CB -0.440 18.115 19.000 -0.741 0.000 0.819 394 A HN 0.351 nan 8.150 nan 0.000 0.442 395 R N -0.612 119.770 120.500 -0.197 0.000 2.152 395 R HA -0.044 4.296 4.340 0.000 0.000 0.232 395 R C 2.251 178.507 176.300 -0.073 0.000 1.117 395 R CA 1.095 57.137 56.100 -0.096 0.000 0.981 395 R CB -0.217 30.044 30.300 -0.065 0.000 0.870 395 R HN 0.481 nan 8.270 nan 0.000 0.451 396 R N 0.345 120.788 120.500 -0.094 0.000 2.148 396 R HA -0.042 4.298 4.340 0.000 0.000 0.227 396 R C 0.385 176.665 176.300 -0.033 0.000 1.103 396 R CA 0.647 56.708 56.100 -0.065 0.000 0.983 396 R CB -0.004 30.250 30.300 -0.077 0.000 0.874 396 R HN 0.168 nan 8.270 nan 0.000 0.451 397 Q N 1.224 121.003 119.800 -0.034 0.000 2.364 397 Q HA 0.066 4.406 4.340 0.000 0.000 0.267 397 Q C 0.395 176.434 176.000 0.065 0.000 0.999 397 Q CA 0.527 56.346 55.803 0.027 0.000 0.886 397 Q CB 1.146 29.892 28.738 0.014 0.000 1.243 397 Q HN 0.192 nan 8.270 nan 0.000 0.415 398 T N -2.599 112.034 114.554 0.131 0.000 2.883 398 T HA 0.796 5.146 4.350 0.000 0.000 0.284 398 T C 0.610 175.403 174.700 0.156 0.000 1.041 398 T CA -0.209 61.983 62.100 0.154 0.000 1.007 398 T CB 1.725 70.756 68.868 0.273 0.000 1.220 398 T HN 0.781 nan 8.240 nan 0.000 0.552 399 G N 1.008 109.861 108.800 0.089 0.000 2.550 399 G HA2 -0.334 3.626 3.960 0.000 0.000 0.277 399 G HA3 -0.334 3.626 3.960 0.000 0.000 0.277 399 G C 1.103 176.045 174.900 0.069 0.000 1.190 399 G CA 1.626 46.765 45.100 0.065 0.000 0.971 399 G HN 1.884 nan 8.290 nan 0.000 0.559 400 T N -1.400 113.204 114.554 0.083 0.000 2.867 400 T HA 0.050 4.400 4.350 0.000 0.000 0.268 400 T C 2.442 177.193 174.700 0.084 0.000 1.057 400 T CA 2.063 64.208 62.100 0.075 0.000 1.136 400 T CB -0.120 68.792 68.868 0.073 0.000 0.874 400 T HN 0.745 nan 8.240 nan 0.000 0.466 401 L N 1.543 122.827 121.223 0.102 0.000 2.353 401 L HA 0.304 4.645 4.340 0.000 0.000 0.220 401 L C 2.808 179.727 176.870 0.082 0.000 1.133 401 L CA 0.806 55.706 54.840 0.100 0.000 0.798 401 L CB -1.267 40.863 42.059 0.119 0.000 0.922 401 L HN 0.434 nan 8.230 nan 0.000 0.445 402 A N -0.907 121.958 122.820 0.075 0.000 2.024 402 A HA -0.207 4.113 4.320 0.000 0.000 0.220 402 A C 2.283 179.903 177.584 0.061 0.000 1.164 402 A CA 1.194 53.265 52.037 0.057 0.000 0.643 402 A CB -0.417 18.613 19.000 0.050 0.000 0.806 402 A HN 0.335 nan 8.150 nan 0.000 0.451 403 R N -0.057 120.487 120.500 0.073 0.000 2.193 403 R HA -0.121 4.219 4.340 0.000 0.000 0.229 403 R C 2.107 178.479 176.300 0.120 0.000 1.110 403 R CA 1.480 57.630 56.100 0.085 0.000 0.988 403 R CB -1.329 29.019 30.300 0.081 0.000 0.871 403 R HN 0.695 nan 8.270 nan 0.000 0.458 404 V N -0.961 119.038 119.914 0.142 0.000 2.546 404 V HA -0.276 3.844 4.120 0.000 0.000 0.254 404 V C 1.914 178.185 176.094 0.295 0.000 1.076 404 V CA 1.582 64.031 62.300 0.249 0.000 1.087 404 V CB -0.733 31.255 31.823 0.276 0.000 0.674 404 V HN 0.197 nan 8.190 nan 0.000 0.470 405 Q N 0.194 120.087 119.800 0.154 0.000 2.234 405 Q HA -0.122 4.219 4.340 0.000 0.000 0.206 405 Q C 2.309 178.418 176.000 0.182 0.000 0.980 405 Q CA 1.662 57.550 55.803 0.143 0.000 0.869 405 Q CB -0.195 28.582 28.738 0.065 0.000 0.912 405 Q HN 0.612 nan 8.270 nan 0.000 0.436 406 R N 0.166 120.759 120.500 0.154 0.000 2.236 406 R HA 0.176 4.517 4.340 0.000 0.000 0.208 406 R C 0.526 176.906 176.300 0.134 0.000 1.036 406 R CA 0.462 56.638 56.100 0.126 0.000 1.001 406 R CB -0.566 29.790 30.300 0.094 0.000 0.896 406 R HN 0.087 nan 8.270 nan 0.000 0.464 407 A N 2.312 125.239 122.820 0.179 0.000 2.546 407 A HA 0.133 4.453 4.320 0.000 0.000 0.243 407 A C 0.679 178.315 177.584 0.087 0.000 1.063 407 A CA 0.113 52.223 52.037 0.122 0.000 0.757 407 A CB -0.054 19.021 19.000 0.125 0.000 0.991 407 A HN 0.391 nan 8.150 nan 0.000 0.503 408 T N 1.335 115.910 114.554 0.035 0.000 2.860 408 T HA 0.358 4.708 4.350 0.000 0.000 0.299 408 T C -1.756 172.922 174.700 -0.037 0.000 1.045 408 T CA -1.113 60.998 62.100 0.018 0.000 1.071 408 T CB 0.550 69.425 68.868 0.011 0.000 0.985 408 T HN 0.361 nan 8.240 nan 0.000 0.537 409 P HA -0.125 nan 4.420 nan 0.000 0.216 409 P C 1.015 178.268 177.300 -0.079 0.000 1.157 409 P CA 1.220 64.284 63.100 -0.060 0.000 0.880 409 P CB -0.046 31.648 31.700 -0.009 0.000 0.791 410 D N -0.984 119.388 120.400 -0.047 0.000 2.123 410 D HA -0.179 4.461 4.640 0.000 0.000 0.196 410 D C 2.113 178.376 176.300 -0.063 0.000 0.992 410 D CA 1.144 55.117 54.000 -0.046 0.000 0.833 410 D CB -0.762 40.023 40.800 -0.026 0.000 0.954 410 D HN 0.297 nan 8.370 nan 0.000 0.455 411 Q N 0.010 119.772 119.800 -0.063 0.000 2.096 411 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 411 Q C 2.383 178.306 176.000 -0.128 0.000 0.982 411 Q CA 1.368 57.130 55.803 -0.068 0.000 0.850 411 Q CB -0.109 28.604 28.738 -0.041 0.000 0.901 411 Q HN 0.317 nan 8.270 nan 0.000 0.422 412 V N 0.154 119.931 119.914 -0.229 0.000 2.379 412 V HA -0.200 3.921 4.120 0.000 0.000 0.245 412 V C 1.284 177.249 176.094 -0.215 0.000 1.044 412 V CA 2.103 64.179 62.300 -0.372 0.000 1.036 412 V CB -0.311 30.955 31.823 -0.929 0.000 0.664 412 V HN 0.225 nan 8.190 nan 0.000 0.453 413 D N 0.370 120.675 120.400 -0.159 0.000 2.144 413 D HA -0.111 4.529 4.640 0.000 0.000 0.200 413 D C 2.284 178.534 176.300 -0.083 0.000 0.978 413 D CA 1.990 55.923 54.000 -0.111 0.000 0.833 413 D CB -0.494 40.256 40.800 -0.084 0.000 0.961 413 D HN 0.526 nan 8.370 nan 0.000 0.470 414 T N 0.539 115.050 114.554 -0.072 0.000 2.737 414 T HA -0.065 4.285 4.350 0.000 0.000 0.265 414 T C 2.254 176.929 174.700 -0.042 0.000 1.038 414 T CA 0.631 62.701 62.100 -0.050 0.000 1.144 414 T CB -0.165 68.678 68.868 -0.040 0.000 0.866 414 T HN -0.037 nan 8.240 nan 0.000 0.434 415 V N 1.597 121.485 119.914 -0.045 0.000 2.323 415 V HA -0.095 4.025 4.120 0.000 0.000 0.244 415 V C 2.873 178.964 176.094 -0.006 0.000 1.041 415 V CA 1.606 63.896 62.300 -0.017 0.000 1.025 415 V CB -1.142 30.674 31.823 -0.011 0.000 0.656 415 V HN 0.500 nan 8.190 nan 0.000 0.451 416 A N 0.131 122.940 122.820 -0.018 0.000 1.940 416 A HA -0.146 4.174 4.320 0.000 0.000 0.219 416 A C 2.424 179.977 177.584 -0.051 0.000 1.176 416 A CA 2.078 54.118 52.037 0.006 0.000 0.631 416 A CB -0.800 18.202 19.000 0.003 0.000 0.814 416 A HN 0.580 nan 8.150 nan 0.000 0.446 417 A N -1.149 121.631 122.820 -0.066 0.000 1.940 417 A HA -0.202 4.119 4.320 0.000 0.000 0.219 417 A C 2.136 179.678 177.584 -0.070 0.000 1.176 417 A CA 1.797 53.792 52.037 -0.069 0.000 0.631 417 A CB -0.368 18.599 19.000 -0.054 0.000 0.814 417 A HN 0.531 nan 8.150 nan 0.000 0.446 418 Q N -0.651 119.118 119.800 -0.052 0.000 2.089 418 Q HA -0.003 4.337 4.340 0.000 0.000 0.195 418 Q C 2.385 178.339 176.000 -0.076 0.000 0.963 418 Q CA 1.474 57.244 55.803 -0.055 0.000 0.834 418 Q CB -0.832 27.891 28.738 -0.025 0.000 0.906 418 Q HN 0.475 nan 8.270 nan 0.000 0.452 419 V N 0.397 120.293 119.914 -0.030 0.000 2.283 419 V HA -0.223 3.897 4.120 0.000 0.000 0.243 419 V C 2.435 178.448 176.094 -0.135 0.000 1.039 419 V CA 1.527 63.825 62.300 -0.003 0.000 1.016 419 V CB -0.616 31.294 31.823 0.145 0.000 0.650 419 V HN 0.317 nan 8.190 nan 0.000 0.449 420 C N 0.609 119.865 119.300 -0.073 0.000 2.437 420 C HA 0.061 4.521 4.460 0.000 0.000 0.283 420 C C 3.022 177.871 174.990 -0.236 0.000 1.424 420 C CA 0.197 59.150 59.018 -0.109 0.000 1.782 420 C CB -1.554 26.151 27.740 -0.059 0.000 1.833 420 C HN 0.617 nan 8.230 nan 0.000 0.532 421 A N 0.746 123.424 122.820 -0.237 0.000 1.997 421 A HA -0.207 4.113 4.320 0.000 0.000 0.221 421 A C 2.221 179.598 177.584 -0.346 0.000 1.172 421 A CA 2.343 54.238 52.037 -0.238 0.000 0.645 421 A CB -0.645 18.242 19.000 -0.189 0.000 0.813 421 A HN 0.568 nan 8.150 nan 0.000 0.454 422 S N -2.132 113.204 115.700 -0.607 0.000 2.522 422 S HA 0.017 4.487 4.470 0.000 0.000 0.227 422 S C 0.684 174.793 174.600 -0.819 0.000 0.986 422 S CA 0.394 58.075 58.200 -0.864 0.000 0.929 422 S CB -0.653 61.553 63.200 -1.656 0.000 0.769 422 S HN 0.636 nan 8.310 nan 0.000 0.529 423 C N 1.769 120.705 119.300 -0.606 0.000 2.358 423 C HA 0.471 4.931 4.460 0.000 0.000 0.342 423 C C 1.483 176.403 174.990 -0.117 0.000 1.234 423 C CA -0.785 58.065 59.018 -0.280 0.000 1.969 423 C CB -0.036 27.669 27.740 -0.058 0.000 2.346 423 C HN 0.288 nan 8.230 nan 0.000 0.525 424 L N 3.503 124.710 121.223 -0.027 0.000 2.291 424 L HA 0.153 4.493 4.340 0.000 0.000 0.214 424 L C 1.677 178.507 176.870 -0.067 0.000 1.120 424 L CA 1.406 56.214 54.840 -0.055 0.000 0.799 424 L CB -1.096 40.923 42.059 -0.067 0.000 0.925 424 L HN 0.663 nan 8.230 nan 0.000 0.446 425 R N -1.059 119.417 120.500 -0.039 0.000 2.560 425 R HA 0.311 4.651 4.340 0.000 0.000 0.270 425 R C -0.041 176.209 176.300 -0.083 0.000 1.074 425 R CA -0.099 55.971 56.100 -0.049 0.000 1.140 425 R CB 0.452 30.755 30.300 0.004 0.000 1.073 425 R HN -0.053 nan 8.270 nan 0.000 0.527 426 T N 2.487 116.972 114.554 -0.115 0.000 2.758 426 T HA 0.169 4.520 4.350 0.000 0.000 0.285 426 T C -0.033 174.518 174.700 -0.248 0.000 0.981 426 T CA -0.770 61.232 62.100 -0.163 0.000 0.965 426 T CB 0.688 69.473 68.868 -0.139 0.000 0.927 426 T HN 0.492 nan 8.240 nan 0.000 0.448 427 R N 4.045 124.290 120.500 -0.426 0.000 3.641 427 R HA 0.113 4.454 4.340 0.000 0.000 0.189 427 R C 0.604 176.383 176.300 -0.867 0.000 1.706 427 R CA -0.468 55.183 56.100 -0.749 0.000 1.311 427 R CB -0.602 29.038 30.300 -1.100 0.000 1.330 427 R HN 0.338 nan 8.270 nan 0.000 0.727 428 L N 2.113 122.999 121.223 -0.561 0.000 2.064 428 L HA -0.253 4.087 4.340 0.000 0.000 0.216 428 L C 2.191 178.382 176.870 -1.131 0.000 1.077 428 L CA 1.698 56.133 54.840 -0.675 0.000 0.766 428 L CB -0.921 40.844 42.059 -0.490 0.000 0.890 428 L HN 0.761 nan 8.230 nan 0.000 0.435 429 W N -1.232 119.633 121.300 -0.725 0.000 2.468 429 W HA 0.053 4.713 4.660 0.000 0.000 0.262 429 W C 1.372 177.627 176.519 -0.440 0.000 1.241 429 W CA 0.685 57.681 57.345 -0.582 0.000 1.232 429 W CB -0.892 28.561 29.460 -0.012 0.000 1.124 429 W HN 0.301 nan 8.180 nan 0.000 0.597 430 A N 0.726 122.961 122.820 -0.974 0.000 2.545 430 A HA 0.526 4.846 4.320 0.000 0.000 0.277 430 A C 1.733 179.109 177.584 -0.345 0.000 1.301 430 A CA 0.518 52.146 52.037 -0.681 0.000 0.935 430 A CB -0.861 17.487 19.000 -1.087 0.000 1.093 430 A HN 0.645 nan 8.150 nan 0.000 0.519 431 G N -0.560 107.977 108.800 -0.439 0.000 2.184 431 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 431 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 431 G C 0.154 174.958 174.900 -0.160 0.000 0.975 431 G CA 0.494 45.444 45.100 -0.250 0.000 0.642 431 G HN 0.773 nan 8.290 nan 0.000 0.536 432 H N 1.435 120.265 119.070 -0.400 0.000 2.732 432 H HA 0.387 4.943 4.556 0.000 0.000 0.351 432 H C 1.020 176.189 175.328 -0.265 0.000 1.090 432 H CA 0.726 56.592 56.048 -0.304 0.000 1.431 432 H CB 0.828 30.392 29.762 -0.330 0.000 1.447 432 H HN 0.435 nan 8.280 nan 0.000 0.582 433 T N 0.696 115.196 114.554 -0.089 0.000 2.952 433 T HA 0.473 4.824 4.350 0.000 0.000 0.286 433 T C -0.443 174.234 174.700 -0.038 0.000 1.024 433 T CA -1.076 60.990 62.100 -0.057 0.000 1.029 433 T CB 1.674 70.528 68.868 -0.024 0.000 1.094 433 T HN 0.253 nan 8.240 nan 0.000 0.515 434 L N 1.557 122.793 121.223 0.023 0.000 2.446 434 L HA 0.683 5.023 4.340 0.000 0.000 0.268 434 L C 0.604 177.575 176.870 0.168 0.000 0.975 434 L CA -0.038 54.828 54.840 0.043 0.000 0.848 434 L CB 1.213 43.227 42.059 -0.075 0.000 1.225 434 L HN 0.917 nan 8.230 nan 0.000 0.410 435 G N 3.305 112.148 108.800 0.070 0.000 2.662 435 G HA2 0.002 3.962 3.960 0.000 0.000 0.215 435 G HA3 0.002 3.962 3.960 0.000 0.000 0.215 435 G C 0.111 175.035 174.900 0.041 0.000 1.310 435 G CA 0.033 45.159 45.100 0.044 0.000 0.849 435 G HN 0.598 nan 8.290 nan 0.000 0.568 436 Q N 0.076 119.887 119.800 0.019 0.000 2.306 436 Q HA 0.493 4.833 4.340 0.000 0.000 0.241 436 Q C 0.250 176.268 176.000 0.031 0.000 0.948 436 Q CA -0.120 55.691 55.803 0.012 0.000 0.886 436 Q CB 1.485 30.220 28.738 -0.005 0.000 1.227 436 Q HN 0.510 nan 8.270 nan 0.000 0.457 437 T N -2.888 111.686 114.554 0.033 0.000 2.883 437 T HA 0.392 4.742 4.350 0.000 0.000 0.284 437 T C 1.175 175.856 174.700 -0.032 0.000 1.041 437 T CA -0.766 61.353 62.100 0.032 0.000 1.007 437 T CB 0.371 69.311 68.868 0.119 0.000 1.220 437 T HN 0.680 nan 8.240 nan 0.000 0.552 438 I N -1.736 118.764 120.570 -0.117 0.000 2.399 438 I HA -0.010 4.160 4.170 0.000 0.000 0.254 438 I C 1.598 177.516 176.117 -0.331 0.000 1.146 438 I CA 1.505 62.646 61.300 -0.266 0.000 1.412 438 I CB -0.769 36.982 38.000 -0.414 0.000 1.076 438 I HN 0.422 nan 8.210 nan 0.000 0.432 439 F N 1.816 121.751 119.950 -0.025 0.000 2.780 439 F HA 0.071 4.598 4.527 0.000 0.000 0.299 439 F C 1.879 177.670 175.800 -0.016 0.000 1.146 439 F CA 0.629 58.626 58.000 -0.004 0.000 1.428 439 F CB -0.200 38.808 39.000 0.014 0.000 1.115 439 F HN 0.235 nan 8.300 nan 0.000 0.583 440 S N -1.417 114.338 115.700 0.091 0.000 2.751 440 S HA 0.555 5.025 4.470 0.000 0.000 0.247 440 S C 1.059 175.668 174.600 0.014 0.000 1.103 440 S CA -0.049 58.179 58.200 0.047 0.000 1.090 440 S CB 0.213 63.421 63.200 0.014 0.000 0.928 440 S HN 0.460 nan 8.310 nan 0.000 0.502 441 G N 0.223 109.021 108.800 -0.003 0.000 2.157 441 G HA2 -0.219 3.741 3.960 0.000 0.000 0.239 441 G HA3 -0.219 3.741 3.960 0.000 0.000 0.239 441 G C -0.112 174.766 174.900 -0.035 0.000 0.982 441 G CA -0.069 45.020 45.100 -0.018 0.000 0.650 441 G HN 0.889 nan 8.290 nan 0.000 0.527 442 V N 1.039 120.924 119.914 -0.047 0.000 2.334 442 V HA 0.349 4.469 4.120 0.000 0.000 0.281 442 V C -0.638 175.409 176.094 -0.078 0.000 1.016 442 V CA -0.918 61.352 62.300 -0.051 0.000 0.832 442 V CB 1.800 33.599 31.823 -0.040 0.000 0.999 442 V HN 0.020 nan 8.190 nan 0.000 0.439 443 P HA -0.075 nan 4.420 nan 0.000 0.216 443 P C 1.464 178.697 177.300 -0.111 0.000 1.150 443 P CA 1.220 64.262 63.100 -0.096 0.000 0.837 443 P CB 0.308 31.968 31.700 -0.068 0.000 0.786 444 G N -1.046 107.702 108.800 -0.088 0.000 3.088 444 G HA2 0.139 4.099 3.960 0.000 0.000 0.212 444 G HA3 0.139 4.099 3.960 0.000 0.000 0.212 444 G C 0.741 175.586 174.900 -0.092 0.000 1.173 444 G CA 0.047 45.093 45.100 -0.090 0.000 0.779 444 G HN 0.347 nan 8.290 nan 0.000 0.540 445 G N 0.651 109.398 108.800 -0.090 0.000 2.770 445 G HA2 0.488 4.449 3.960 0.000 0.000 0.307 445 G HA3 0.488 4.449 3.960 0.000 0.000 0.307 445 G C -0.990 173.861 174.900 -0.081 0.000 0.863 445 G CA -0.234 44.823 45.100 -0.071 0.000 1.595 445 G HN 0.131 nan 8.290 nan 0.000 0.496 446 L N 4.222 125.388 121.223 -0.096 0.000 2.410 446 L HA 0.505 4.846 4.340 0.000 0.000 0.270 446 L C -2.202 174.607 176.870 -0.103 0.000 0.983 446 L CA -1.925 52.855 54.840 -0.100 0.000 0.822 446 L CB 3.103 45.082 42.059 -0.134 0.000 1.285 446 L HN 0.219 nan 8.230 nan 0.000 0.409 447 P HA 0.163 nan 4.420 nan 0.000 0.282 447 P C -1.043 176.225 177.300 -0.053 0.000 1.249 447 P CA -0.555 62.451 63.100 -0.158 0.000 0.806 447 P CB 1.599 33.158 31.700 -0.235 0.000 0.984 448 C N 3.023 122.301 119.300 -0.037 0.000 2.251 448 C HA 0.633 5.094 4.460 0.000 0.000 0.323 448 C C 1.567 176.664 174.990 0.179 0.000 1.241 448 C CA -0.088 58.988 59.018 0.098 0.000 1.601 448 C CB -0.942 26.899 27.740 0.168 0.000 2.251 448 C HN 0.698 nan 8.230 nan 0.000 0.488 449 A N 4.039 126.973 122.820 0.190 0.000 2.178 449 A HA 0.303 4.623 4.320 0.000 0.000 0.211 449 A C 0.582 178.321 177.584 0.259 0.000 1.157 449 A CA 0.556 52.738 52.037 0.243 0.000 0.780 449 A CB 0.002 19.114 19.000 0.186 0.000 0.828 449 A HN 0.907 nan 8.150 nan 0.000 0.476 450 E N -1.559 118.735 120.200 0.156 0.000 2.400 450 E HA 0.495 4.845 4.350 0.000 0.000 0.285 450 E C -0.767 175.575 176.600 -0.431 0.000 1.005 450 E CA -0.490 55.801 56.400 -0.182 0.000 0.816 450 E CB 1.347 30.997 29.700 -0.083 0.000 1.220 450 E HN 0.322 nan 8.360 nan 0.000 0.426 451 A N 2.526 124.726 122.820 -1.032 0.000 2.580 451 A HA 0.147 4.468 4.320 0.000 0.000 0.244 451 A C 0.679 178.134 177.584 -0.215 0.000 1.045 451 A CA 0.402 52.027 52.037 -0.687 0.000 0.761 451 A CB -1.096 17.463 19.000 -0.735 0.000 0.962 451 A HN 0.708 nan 8.150 nan 0.000 0.512 452 C N 1.993 121.272 119.300 -0.034 0.000 2.403 452 C HA 0.704 5.164 4.460 0.000 0.000 0.361 452 C C 2.036 177.046 174.990 0.034 0.000 1.274 452 C CA 0.160 59.188 59.018 0.016 0.000 2.433 452 C CB 0.298 28.067 27.740 0.048 0.000 2.323 452 C HN 1.106 nan 8.230 nan 0.000 0.614 453 T N -0.738 113.850 114.554 0.056 0.000 2.833 453 T HA -0.139 4.211 4.350 0.000 0.000 0.269 453 T C 1.463 176.229 174.700 0.110 0.000 1.054 453 T CA 1.754 63.921 62.100 0.112 0.000 1.135 453 T CB -0.723 68.237 68.868 0.153 0.000 0.869 453 T HN 0.626 nan 8.240 nan 0.000 0.466 454 V N 1.370 121.218 119.914 -0.111 0.000 2.307 454 V HA -0.045 4.075 4.120 0.000 0.000 0.245 454 V C 2.566 178.661 176.094 0.002 0.000 1.045 454 V CA 1.584 63.708 62.300 -0.293 0.000 1.024 454 V CB -0.801 30.737 31.823 -0.475 0.000 0.651 454 V HN 0.417 nan 8.190 nan 0.000 0.449 455 L N -0.272 121.007 121.223 0.094 0.000 2.042 455 L HA -0.151 4.189 4.340 0.000 0.000 0.210 455 L C 2.177 179.172 176.870 0.208 0.000 1.076 455 L CA 1.851 56.796 54.840 0.176 0.000 0.749 455 L CB -0.601 41.595 42.059 0.228 0.000 0.893 455 L HN 0.212 nan 8.230 nan 0.000 0.432 456 L N -0.633 120.706 121.223 0.194 0.000 2.012 456 L HA -0.213 4.127 4.340 0.000 0.000 0.210 456 L C 2.679 179.662 176.870 0.188 0.000 1.073 456 L CA 1.383 56.351 54.840 0.214 0.000 0.748 456 L CB -1.018 41.103 42.059 0.104 0.000 0.891 456 L HN 0.374 nan 8.230 nan 0.000 0.431 457 A N -0.147 122.769 122.820 0.160 0.000 1.933 457 A HA -0.139 4.181 4.320 0.000 0.000 0.218 457 A C 2.508 180.176 177.584 0.140 0.000 1.175 457 A CA 1.656 53.785 52.037 0.153 0.000 0.628 457 A CB -0.681 18.436 19.000 0.194 0.000 0.814 457 A HN 0.409 nan 8.150 nan 0.000 0.444 458 A N -0.710 122.190 122.820 0.134 0.000 1.969 458 A HA 0.054 4.374 4.320 0.000 0.000 0.218 458 A C 2.178 179.829 177.584 0.112 0.000 1.169 458 A CA 1.661 53.769 52.037 0.118 0.000 0.635 458 A CB -0.687 18.384 19.000 0.118 0.000 0.810 458 A HN 0.354 nan 8.150 nan 0.000 0.445 459 V N -0.129 119.871 119.914 0.143 0.000 2.453 459 V HA -0.189 3.931 4.120 0.000 0.000 0.247 459 V C 2.588 178.768 176.094 0.143 0.000 1.048 459 V CA 1.972 64.354 62.300 0.137 0.000 1.049 459 V CB -0.744 31.206 31.823 0.211 0.000 0.672 459 V HN 0.654 nan 8.190 nan 0.000 0.457 460 R N 0.326 120.920 120.500 0.157 0.000 2.080 460 R HA -0.218 4.122 4.340 0.000 0.000 0.236 460 R C 2.032 178.391 176.300 0.098 0.000 1.137 460 R CA 2.306 58.483 56.100 0.128 0.000 0.943 460 R CB -0.426 29.947 30.300 0.121 0.000 0.846 460 R HN 0.472 nan 8.270 nan 0.000 0.431 461 D N 0.046 120.502 120.400 0.094 0.000 2.149 461 D HA -0.188 4.452 4.640 0.000 0.000 0.198 461 D C 1.776 178.114 176.300 0.064 0.000 0.990 461 D CA 1.410 55.456 54.000 0.076 0.000 0.839 461 D CB -0.160 40.686 40.800 0.077 0.000 0.948 461 D HN 0.372 nan 8.370 nan 0.000 0.460 462 E N 0.542 120.781 120.200 0.065 0.000 2.046 462 E HA -0.093 4.257 4.350 0.000 0.000 0.190 462 E C 2.007 178.636 176.600 0.048 0.000 0.982 462 E CA 0.694 57.123 56.400 0.049 0.000 0.800 462 E CB -0.255 29.468 29.700 0.039 0.000 0.756 462 E HN 0.012 nan 8.360 nan 0.000 0.449 463 V N 0.737 120.688 119.914 0.062 0.000 2.392 463 V HA -0.226 3.894 4.120 0.000 0.000 0.249 463 V C 2.333 178.460 176.094 0.055 0.000 1.059 463 V CA 1.969 64.307 62.300 0.063 0.000 1.051 463 V CB -1.210 30.665 31.823 0.086 0.000 0.658 463 V HN 0.525 nan 8.190 nan 0.000 0.455 464 G N -0.615 108.220 108.800 0.057 0.000 2.418 464 G HA2 -0.298 3.663 3.960 0.000 0.000 0.217 464 G HA3 -0.298 3.663 3.960 0.000 0.000 0.217 464 G C 1.729 176.653 174.900 0.040 0.000 1.158 464 G CA 0.862 45.992 45.100 0.049 0.000 0.771 464 G HN 0.427 nan 8.290 nan 0.000 0.545 465 R N 0.244 120.767 120.500 0.038 0.000 2.148 465 R HA -0.008 4.332 4.340 0.000 0.000 0.227 465 R C 0.660 176.976 176.300 0.027 0.000 1.103 465 R CA 0.681 56.800 56.100 0.031 0.000 0.983 465 R CB 0.001 30.319 30.300 0.030 0.000 0.874 465 R HN 0.300 nan 8.270 nan 0.000 0.451 466 E N 0.000 120.218 120.200 0.029 0.000 2.725 466 E HA 0.000 4.350 4.350 0.000 0.000 0.291 466 E CA 0.000 56.416 56.400 0.026 0.000 0.976 466 E CB 0.000 29.715 29.700 0.026 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440