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 2z1k_1_B DATA FIRST_RESID 2 DATA SEQUENCE AWYEGAFFYQ IFPDRFFRAG PPGRPAPAGP FEPWEAPPTL RGFKGGTLWG DATA SEQUENCE VAEKLPYLLD LGVEAIYLNP VFASTANHRY HTVDYFQVDP ILGGNEALRH DATA SEQUENCE LLEVAHAHGV RVILDGVFNH TGRGFFAFQH LXENGEQSPY RDWYHVKGFP DATA SEQUENCE LKAYTAHPNY EAWWGNPELP KLKVETPAVR EYLLAVAEHW IRFGVDGWRL DATA SEQUENCE DVPNEIPDPT FWREFRQRVK GANPEAYIVG EIWEEADFWL QGDXFDAVXN DATA SEQUENCE YPLARAVLGF VGGEALDRDL AAQTGLGRIE PLQALAFSHR LEDLFGRYRP DATA SEQUENCE EVVRAQXNLL TSHDTPRLLS LXRGSVERAR LALALLFLLP GNPTVYYGEE DATA SEQUENCE VGXAGGKDPE NRGGXVWEEA RWQKDLRETV KRLARLRKEH PALRTAPYLR DATA SEQUENCE IYAQDGHLAF ARGPYLAVVN ASPHPFRQDF PLHGVFPRGG RAVDLLSGEV DATA SEQUENCE cTPQGGRLcG PVLPPFSLAL WREA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.317 177.584 -0.444 0.000 1.274 2 A CA 0.000 51.749 52.037 -0.479 0.000 0.836 2 A CB 0.000 18.905 19.000 -0.158 0.000 0.831 3 W N 1.776 122.888 121.300 -0.315 0.000 2.363 3 W HA -0.135 4.525 4.660 0.001 0.000 0.296 3 W C 1.379 177.817 176.519 -0.135 0.000 1.212 3 W CA 1.779 59.029 57.345 -0.159 0.000 1.260 3 W CB -1.156 28.269 29.460 -0.059 0.000 1.131 3 W HN 0.682 nan 8.180 nan 0.000 0.530 4 Y N 1.649 121.307 120.300 -1.070 0.000 2.473 4 Y HA 0.391 4.942 4.550 0.001 0.000 0.329 4 Y C -0.071 175.513 175.900 -0.527 0.000 1.207 4 Y CA -0.161 57.245 58.100 -1.157 0.000 1.266 4 Y CB -1.149 36.061 38.460 -2.085 0.000 1.091 4 Y HN -0.038 nan 8.280 nan 0.000 0.501 5 E N 1.061 121.090 120.200 -0.284 0.000 2.149 5 E HA 0.400 4.750 4.350 0.001 0.000 0.255 5 E C 0.482 177.065 176.600 -0.028 0.000 0.888 5 E CA -0.235 56.089 56.400 -0.128 0.000 0.742 5 E CB 1.102 30.706 29.700 -0.161 0.000 1.164 5 E HN 0.618 nan 8.360 nan 0.000 0.422 6 G N 2.414 111.228 108.800 0.022 0.000 2.141 6 G HA2 -0.265 3.696 3.960 0.001 0.000 0.231 6 G HA3 -0.265 3.696 3.960 0.001 0.000 0.231 6 G C 0.347 175.318 174.900 0.118 0.000 0.984 6 G CA -0.100 45.034 45.100 0.056 0.000 0.660 6 G HN 0.675 nan 8.290 nan 0.000 0.525 7 A N 0.075 122.999 122.820 0.174 0.000 2.322 7 A HA 0.653 4.973 4.320 0.001 0.000 0.269 7 A C 0.041 177.830 177.584 0.343 0.000 1.094 7 A CA -0.417 51.758 52.037 0.230 0.000 0.807 7 A CB 0.474 19.603 19.000 0.214 0.000 1.047 7 A HN 1.289 nan 8.150 nan 0.000 0.487 8 F N 2.651 122.676 119.950 0.125 0.000 2.438 8 F HA 0.526 5.054 4.527 0.001 0.000 0.360 8 F C -1.157 174.726 175.800 0.138 0.000 1.118 8 F CA -1.481 56.624 58.000 0.175 0.000 1.164 8 F CB -0.515 38.640 39.000 0.258 0.000 1.131 8 F HN 0.376 nan 8.300 nan 0.000 0.527 9 F N 6.331 126.593 119.950 0.521 0.000 2.399 9 F HA 0.334 4.862 4.527 0.001 0.000 0.334 9 F C -0.893 175.101 175.800 0.324 0.000 1.097 9 F CA -0.503 57.678 58.000 0.303 0.000 1.076 9 F CB 1.214 40.377 39.000 0.272 0.000 1.162 9 F HN 0.412 nan 8.300 nan 0.000 0.495 10 Y N 3.631 124.041 120.300 0.183 0.000 2.338 10 Y HA 0.289 4.840 4.550 0.001 0.000 0.333 10 Y C -0.596 175.417 175.900 0.189 0.000 0.968 10 Y CA -0.846 57.331 58.100 0.129 0.000 1.123 10 Y CB 1.183 39.572 38.460 -0.117 0.000 1.165 10 Y HN 0.546 nan 8.280 nan 0.000 0.452 11 Q N 6.742 126.535 119.800 -0.013 0.000 2.274 11 Q HA 0.544 4.885 4.340 0.001 0.000 0.256 11 Q C -1.481 174.430 176.000 -0.149 0.000 0.927 11 Q CA -0.405 55.395 55.803 -0.005 0.000 0.939 11 Q CB 0.777 29.628 28.738 0.189 0.000 1.201 11 Q HN 0.788 nan 8.270 nan 0.000 0.426 12 I N 3.952 124.384 120.570 -0.231 0.000 2.433 12 I HA 0.285 4.456 4.170 0.001 0.000 0.292 12 I C -0.904 175.041 176.117 -0.286 0.000 1.001 12 I CA -0.874 60.229 61.300 -0.327 0.000 1.119 12 I CB 1.433 39.162 38.000 -0.451 0.000 1.289 12 I HN 0.639 nan 8.210 nan 0.000 0.438 13 F N 8.880 128.535 119.950 -0.491 0.000 2.303 13 F HA 0.392 4.920 4.527 0.001 0.000 0.368 13 F C -1.729 173.893 175.800 -0.297 0.000 1.105 13 F CA -2.004 55.806 58.000 -0.318 0.000 1.153 13 F CB 0.866 39.776 39.000 -0.150 0.000 1.362 13 F HN 0.307 nan 8.300 nan 0.000 0.511 14 P HA -0.316 nan 4.420 nan 0.000 0.222 14 P C 1.154 178.466 177.300 0.020 0.000 1.159 14 P CA 1.961 64.972 63.100 -0.149 0.000 0.920 14 P CB 0.182 31.725 31.700 -0.263 0.000 0.793 15 D N -2.036 118.358 120.400 -0.010 0.000 2.351 15 D HA -0.131 4.510 4.640 0.001 0.000 0.216 15 D C 1.206 177.613 176.300 0.177 0.000 0.968 15 D CA 0.730 54.800 54.000 0.118 0.000 0.899 15 D CB -0.012 40.824 40.800 0.059 0.000 0.907 15 D HN -0.029 nan 8.370 nan 0.000 0.514 16 R N -0.870 119.747 120.500 0.195 0.000 2.508 16 R HA 0.123 4.464 4.340 0.001 0.000 0.300 16 R C 0.637 177.126 176.300 0.314 0.000 0.970 16 R CA -0.214 55.905 56.100 0.031 0.000 1.102 16 R CB -0.417 29.871 30.300 -0.019 0.000 1.246 16 R HN 0.229 nan 8.270 nan 0.000 0.539 17 F N 0.225 120.373 119.950 0.330 0.000 2.208 17 F HA 0.299 4.827 4.527 0.001 0.000 0.282 17 F C -0.053 176.296 175.800 0.915 0.000 1.071 17 F CA 0.216 58.497 58.000 0.468 0.000 1.228 17 F CB 0.421 39.566 39.000 0.242 0.000 1.088 17 F HN -0.120 nan 8.300 nan 0.000 0.512 18 F N 0.949 121.161 119.950 0.437 0.000 2.639 18 F HA 0.324 4.852 4.527 0.001 0.000 0.326 18 F C -0.640 175.116 175.800 -0.073 0.000 1.150 18 F CA -1.255 56.719 58.000 -0.043 0.000 1.057 18 F CB 0.691 39.529 39.000 -0.270 0.000 1.300 18 F HN -0.185 nan 8.300 nan 0.000 0.486 19 R N 4.478 124.417 120.500 -0.936 0.000 2.216 19 R HA 0.817 5.157 4.340 0.001 0.000 0.332 19 R C -1.295 174.450 176.300 -0.926 0.000 1.056 19 R CA 0.139 55.828 56.100 -0.686 0.000 0.901 19 R CB 0.504 30.486 30.300 -0.530 0.000 1.039 19 R HN 0.851 nan 8.270 nan 0.000 0.456 20 A N 2.989 125.525 122.820 -0.474 0.000 2.597 20 A HA 0.658 4.979 4.320 0.001 0.000 0.292 20 A C -0.461 177.068 177.584 -0.092 0.000 1.057 20 A CA -0.211 51.623 52.037 -0.339 0.000 0.674 20 A CB 1.131 19.948 19.000 -0.306 0.000 1.278 20 A HN 1.104 nan 8.150 nan 0.000 0.416 21 G N 0.281 108.970 108.800 -0.186 0.000 2.829 21 G HA2 0.133 4.094 3.960 0.001 0.000 0.628 21 G HA3 0.133 4.094 3.960 0.001 0.000 0.628 21 G C -2.528 172.222 174.900 -0.249 0.000 1.412 21 G CA -0.216 44.663 45.100 -0.368 0.000 0.864 21 G HN 1.219 nan 8.290 nan 0.000 0.544 22 P HA 0.388 nan 4.420 nan 0.000 0.279 22 P C -2.379 175.016 177.300 0.159 0.000 1.239 22 P CA -1.091 61.952 63.100 -0.096 0.000 0.789 22 P CB 1.277 32.884 31.700 -0.155 0.000 0.933 23 P HA 0.159 nan 4.420 nan 0.000 0.276 23 P C 0.412 177.820 177.300 0.181 0.000 1.252 23 P CA 0.034 63.239 63.100 0.175 0.000 0.802 23 P CB 0.844 32.623 31.700 0.131 0.000 1.035 24 G N 0.877 109.780 108.800 0.171 0.000 2.494 24 G HA2 0.333 4.293 3.960 0.001 0.000 0.270 24 G HA3 0.333 4.293 3.960 0.001 0.000 0.270 24 G C -0.637 174.330 174.900 0.111 0.000 1.423 24 G CA -0.620 44.571 45.100 0.151 0.000 1.055 24 G HN 0.614 nan 8.290 nan 0.000 0.536 25 R N 0.240 120.799 120.500 0.098 0.000 2.494 25 R HA 0.431 4.772 4.340 0.001 0.000 0.305 25 R C -2.290 174.051 176.300 0.068 0.000 0.959 25 R CA -1.487 54.658 56.100 0.075 0.000 0.864 25 R CB 1.653 31.994 30.300 0.069 0.000 1.159 25 R HN 0.402 nan 8.270 nan 0.000 0.446 26 P HA 0.145 nan 4.420 nan 0.000 0.276 26 P C -1.037 176.290 177.300 0.046 0.000 1.235 26 P CA -0.339 62.786 63.100 0.041 0.000 0.772 26 P CB 1.408 33.124 31.700 0.027 0.000 0.871 27 A N 5.942 128.791 122.820 0.048 0.000 2.388 27 A HA 0.491 4.812 4.320 0.001 0.000 0.257 27 A C -1.592 176.019 177.584 0.045 0.000 1.095 27 A CA -1.072 51.001 52.037 0.061 0.000 0.791 27 A CB -0.799 18.238 19.000 0.062 0.000 1.029 27 A HN 0.512 nan 8.150 nan 0.000 0.489 28 P HA 0.449 nan 4.420 nan 0.000 0.272 28 P C -0.761 176.544 177.300 0.008 0.000 1.223 28 P CA -0.070 63.036 63.100 0.009 0.000 0.784 28 P CB 1.291 33.020 31.700 0.049 0.000 0.923 29 A N 1.116 123.901 122.820 -0.059 0.000 2.876 29 A HA 0.678 4.998 4.320 0.001 0.000 0.309 29 A C -0.083 177.444 177.584 -0.096 0.000 1.168 29 A CA 0.136 52.147 52.037 -0.042 0.000 0.762 29 A CB 0.471 19.457 19.000 -0.024 0.000 1.262 29 A HN 0.862 nan 8.150 nan 0.000 0.435 30 G N 1.366 110.083 108.800 -0.139 0.000 2.325 30 G HA2 0.617 4.578 3.960 0.001 0.000 0.295 30 G HA3 0.617 4.578 3.960 0.001 0.000 0.295 30 G C -3.125 171.635 174.900 -0.233 0.000 1.274 30 G CA -0.303 44.692 45.100 -0.175 0.000 0.857 30 G HN 0.599 nan 8.290 nan 0.000 0.499 31 P HA 0.540 nan 4.420 nan 0.000 0.276 31 P C -1.607 175.535 177.300 -0.263 0.000 1.253 31 P CA 0.037 63.046 63.100 -0.152 0.000 0.766 31 P CB 0.664 32.324 31.700 -0.067 0.000 0.845 32 F N 1.113 121.108 119.950 0.076 0.000 2.411 32 F HA 0.235 4.762 4.527 0.001 0.000 0.352 32 F C 1.228 177.102 175.800 0.122 0.000 1.123 32 F CA -0.976 57.094 58.000 0.117 0.000 1.044 32 F CB 1.382 40.455 39.000 0.122 0.000 1.135 32 F HN 0.377 nan 8.300 nan 0.000 0.461 33 E N 5.984 126.379 120.200 0.325 0.000 2.465 33 E HA 0.041 4.392 4.350 0.001 0.000 0.260 33 E C -2.129 174.608 176.600 0.227 0.000 0.980 33 E CA -1.500 55.028 56.400 0.214 0.000 0.927 33 E CB 0.551 30.353 29.700 0.170 0.000 0.934 33 E HN 0.193 nan 8.360 nan 0.000 0.459 34 P HA -0.170 nan 4.420 nan 0.000 0.266 34 P C 0.497 177.927 177.300 0.217 0.000 1.195 34 P CA 0.100 63.322 63.100 0.203 0.000 0.768 34 P CB 0.429 32.219 31.700 0.151 0.000 0.838 35 W N 3.634 124.986 121.300 0.087 0.000 2.305 35 W HA -0.186 4.475 4.660 0.001 0.000 0.308 35 W C 1.064 177.632 176.519 0.082 0.000 1.226 35 W CA 1.742 59.141 57.345 0.089 0.000 1.253 35 W CB -0.011 29.504 29.460 0.092 0.000 1.146 35 W HN 0.489 nan 8.180 nan 0.000 0.507 36 E N -0.268 120.061 120.200 0.215 0.000 2.479 36 E HA 0.115 4.466 4.350 0.001 0.000 0.193 36 E C 0.741 177.366 176.600 0.041 0.000 1.049 36 E CA -0.108 56.358 56.400 0.111 0.000 0.870 36 E CB 0.148 29.940 29.700 0.153 0.000 0.944 36 E HN 0.014 nan 8.360 nan 0.000 0.492 37 A N 2.864 125.707 122.820 0.039 0.000 2.425 37 A HA 0.240 4.561 4.320 0.001 0.000 0.242 37 A C -2.279 175.297 177.584 -0.014 0.000 1.077 37 A CA -1.117 50.934 52.037 0.024 0.000 0.781 37 A CB -0.109 18.917 19.000 0.044 0.000 1.020 37 A HN -0.127 nan 8.150 nan 0.000 0.494 38 P HA 0.194 nan 4.420 nan 0.000 0.266 38 P C -2.433 174.848 177.300 -0.032 0.000 1.195 38 P CA -0.432 62.655 63.100 -0.022 0.000 0.768 38 P CB -0.102 31.593 31.700 -0.008 0.000 0.838 39 P HA 0.112 nan 4.420 nan 0.000 0.271 39 P C -0.256 177.027 177.300 -0.028 0.000 1.216 39 P CA 0.130 63.194 63.100 -0.059 0.000 0.771 39 P CB 0.388 32.035 31.700 -0.089 0.000 0.864 40 T N -0.386 114.160 114.554 -0.013 0.000 2.910 40 T HA 0.326 4.677 4.350 0.001 0.000 0.287 40 T C 0.800 175.510 174.700 0.017 0.000 1.050 40 T CA -0.725 61.381 62.100 0.009 0.000 1.011 40 T CB 0.591 69.476 68.868 0.027 0.000 1.195 40 T HN 0.020 nan 8.240 nan 0.000 0.540 41 L N 0.178 121.423 121.223 0.038 0.000 2.131 41 L HA 0.137 4.478 4.340 0.001 0.000 0.210 41 L C 2.378 179.284 176.870 0.061 0.000 1.092 41 L CA 1.614 56.491 54.840 0.061 0.000 0.759 41 L CB -0.495 41.608 42.059 0.073 0.000 0.903 41 L HN 0.609 nan 8.230 nan 0.000 0.435 42 R N -1.364 119.174 120.500 0.063 0.000 2.419 42 R HA 0.331 4.671 4.340 0.001 0.000 0.235 42 R C 0.764 177.135 176.300 0.118 0.000 0.899 42 R CA 0.494 56.647 56.100 0.089 0.000 1.048 42 R CB -0.387 29.995 30.300 0.137 0.000 1.182 42 R HN 0.272 nan 8.270 nan 0.000 0.544 43 G N 1.114 109.964 108.800 0.084 0.000 2.432 43 G HA2 0.257 4.218 3.960 0.001 0.000 0.239 43 G HA3 0.257 4.218 3.960 0.001 0.000 0.239 43 G C -0.804 174.153 174.900 0.095 0.000 1.291 43 G CA -0.107 45.080 45.100 0.145 0.000 0.863 43 G HN 0.002 nan 8.290 nan 0.000 0.560 44 F N 0.338 120.358 119.950 0.116 0.000 2.458 44 F HA 0.391 4.918 4.527 0.001 0.000 0.336 44 F C 1.314 177.313 175.800 0.331 0.000 1.114 44 F CA -0.766 57.361 58.000 0.211 0.000 0.987 44 F CB 2.713 41.864 39.000 0.252 0.000 1.130 44 F HN 0.411 nan 8.300 nan 0.000 0.458 45 K N 1.651 122.268 120.400 0.361 0.000 2.352 45 K HA 0.226 4.546 4.320 0.001 0.000 0.194 45 K C 1.219 177.999 176.600 0.301 0.000 1.038 45 K CA 0.579 57.045 56.287 0.299 0.000 1.023 45 K CB 0.490 32.960 32.500 -0.051 0.000 0.840 45 K HN 1.001 nan 8.250 nan 0.000 0.519 46 G N 1.492 110.437 108.800 0.242 0.000 2.141 46 G HA2 -0.217 3.744 3.960 0.001 0.000 0.231 46 G HA3 -0.217 3.744 3.960 0.001 0.000 0.231 46 G C 0.392 175.302 174.900 0.017 0.000 0.984 46 G CA -0.260 44.729 45.100 -0.185 0.000 0.660 46 G HN 0.453 nan 8.290 nan 0.000 0.525 47 G N -0.052 108.909 108.800 0.267 0.000 2.562 47 G HA2 0.572 4.533 3.960 0.001 0.000 0.233 47 G HA3 0.572 4.533 3.960 0.001 0.000 0.233 47 G C 0.526 175.504 174.900 0.131 0.000 1.266 47 G CA 1.493 46.765 45.100 0.287 0.000 0.852 47 G HN 1.650 nan 8.290 nan 0.000 0.581 48 T N -0.944 113.674 114.554 0.107 0.000 2.887 48 T HA 0.467 4.818 4.350 0.001 0.000 0.292 48 T C 1.253 175.994 174.700 0.068 0.000 1.087 48 T CA -0.957 61.190 62.100 0.078 0.000 1.009 48 T CB 1.346 70.293 68.868 0.131 0.000 1.203 48 T HN 0.176 nan 8.240 nan 0.000 0.518 49 L N -0.827 120.363 121.223 -0.056 0.000 2.313 49 L HA 0.157 4.498 4.340 0.001 0.000 0.214 49 L C 2.127 178.980 176.870 -0.029 0.000 1.119 49 L CA 0.654 55.431 54.840 -0.106 0.000 0.809 49 L CB -0.353 41.557 42.059 -0.248 0.000 0.933 49 L HN 0.724 nan 8.230 nan 0.000 0.449 50 W N 0.227 121.573 121.300 0.077 0.000 2.358 50 W HA -0.108 4.553 4.660 0.001 0.000 0.303 50 W C 2.513 179.107 176.519 0.125 0.000 1.208 50 W CA 0.891 58.293 57.345 0.096 0.000 1.274 50 W CB -0.687 28.784 29.460 0.018 0.000 1.138 50 W HN 0.109 nan 8.180 nan 0.000 0.515 51 G N 0.232 109.235 108.800 0.338 0.000 2.418 51 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 51 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 51 G C 1.434 176.600 174.900 0.444 0.000 1.158 51 G CA 1.530 46.866 45.100 0.392 0.000 0.771 51 G HN 0.142 nan 8.290 nan 0.000 0.545 52 V N 1.585 121.717 119.914 0.363 0.000 2.343 52 V HA -0.156 3.965 4.120 0.001 0.000 0.247 52 V C 3.330 179.547 176.094 0.206 0.000 1.051 52 V CA 2.039 64.545 62.300 0.344 0.000 1.036 52 V CB -0.906 30.983 31.823 0.111 0.000 0.654 52 V HN 0.478 nan 8.190 nan 0.000 0.451 53 A N -0.543 122.372 122.820 0.158 0.000 1.902 53 A HA -0.250 4.070 4.320 0.001 0.000 0.217 53 A C 2.177 179.825 177.584 0.106 0.000 1.181 53 A CA 1.859 53.956 52.037 0.100 0.000 0.623 53 A CB -0.499 18.618 19.000 0.195 0.000 0.818 53 A HN 0.613 nan 8.150 nan 0.000 0.443 54 E N -0.558 119.745 120.200 0.172 0.000 2.268 54 E HA -0.111 4.240 4.350 0.001 0.000 0.195 54 E C 0.766 177.322 176.600 -0.074 0.000 0.995 54 E CA 0.709 57.158 56.400 0.082 0.000 0.836 54 E CB 0.055 29.851 29.700 0.160 0.000 0.763 54 E HN 0.293 nan 8.360 nan 0.000 0.491 55 K N 0.513 120.888 120.400 -0.042 0.000 2.437 55 K HA 0.062 4.383 4.320 0.001 0.000 0.205 55 K C 1.410 178.062 176.600 0.088 0.000 1.026 55 K CA -0.101 56.126 56.287 -0.099 0.000 1.153 55 K CB 0.419 32.826 32.500 -0.156 0.000 0.863 55 K HN 0.075 nan 8.250 nan 0.000 0.502 56 L N 2.743 123.970 121.223 0.006 0.000 2.083 56 L HA -0.072 4.269 4.340 0.001 0.000 0.209 56 L C -1.047 175.774 176.870 -0.082 0.000 1.083 56 L CA 1.932 56.733 54.840 -0.066 0.000 0.752 56 L CB -0.911 41.034 42.059 -0.191 0.000 0.899 56 L HN 0.031 nan 8.230 nan 0.000 0.433 57 P HA -0.271 nan 4.420 nan 0.000 0.218 57 P C 1.437 178.740 177.300 0.005 0.000 1.148 57 P CA 1.663 64.732 63.100 -0.052 0.000 0.822 57 P CB -0.330 31.348 31.700 -0.037 0.000 0.784 58 Y N 0.998 121.279 120.300 -0.031 0.000 2.200 58 Y HA -0.128 4.423 4.550 0.001 0.000 0.290 58 Y C 2.350 178.234 175.900 -0.026 0.000 1.137 58 Y CA 1.366 59.491 58.100 0.042 0.000 1.163 58 Y CB -1.040 37.527 38.460 0.178 0.000 0.988 58 Y HN -0.254 nan 8.280 nan 0.000 0.518 59 L N -0.465 120.729 121.223 -0.048 0.000 2.056 59 L HA -0.211 4.130 4.340 0.001 0.000 0.207 59 L C 2.419 179.114 176.870 -0.292 0.000 1.078 59 L CA 1.085 55.757 54.840 -0.281 0.000 0.749 59 L CB -0.612 41.312 42.059 -0.225 0.000 0.901 59 L HN 0.292 nan 8.230 nan 0.000 0.433 60 L N -0.206 120.906 121.223 -0.186 0.000 2.046 60 L HA -0.245 4.096 4.340 0.001 0.000 0.208 60 L C 2.250 179.046 176.870 -0.124 0.000 1.077 60 L CA 1.524 56.284 54.840 -0.133 0.000 0.747 60 L CB -0.547 41.462 42.059 -0.084 0.000 0.896 60 L HN 0.315 nan 8.230 nan 0.000 0.432 61 D N 0.237 120.545 120.400 -0.152 0.000 2.123 61 D HA -0.245 4.396 4.640 0.001 0.000 0.196 61 D C 2.062 178.262 176.300 -0.168 0.000 0.992 61 D CA 0.975 54.892 54.000 -0.137 0.000 0.833 61 D CB 0.044 40.763 40.800 -0.134 0.000 0.954 61 D HN 0.089 nan 8.370 nan 0.000 0.455 62 L N -0.511 120.536 121.223 -0.293 0.000 2.275 62 L HA 0.172 4.513 4.340 0.001 0.000 0.215 62 L C 1.753 178.634 176.870 0.018 0.000 1.119 62 L CA 1.812 56.528 54.840 -0.207 0.000 0.790 62 L CB -0.244 41.597 42.059 -0.364 0.000 0.919 62 L HN 0.387 nan 8.230 nan 0.000 0.443 63 G N -1.910 106.873 108.800 -0.029 0.000 2.163 63 G HA2 -0.202 3.759 3.960 0.001 0.000 0.213 63 G HA3 -0.202 3.759 3.960 0.001 0.000 0.213 63 G C 0.232 175.170 174.900 0.064 0.000 0.991 63 G CA 0.003 45.161 45.100 0.096 0.000 0.653 63 G HN 0.188 nan 8.290 nan 0.000 0.518 64 V N 0.773 120.505 119.914 -0.305 0.000 2.617 64 V HA 0.154 4.275 4.120 0.001 0.000 0.304 64 V C 1.417 177.339 176.094 -0.285 0.000 1.040 64 V CA 1.591 63.518 62.300 -0.622 0.000 1.149 64 V CB 1.141 32.569 31.823 -0.659 0.000 0.914 64 V HN 0.549 nan 8.190 nan 0.000 0.487 65 E N 2.808 122.868 120.200 -0.233 0.000 2.372 65 E HA 0.415 4.766 4.350 0.001 0.000 0.201 65 E C 0.422 176.868 176.600 -0.258 0.000 0.938 65 E CA 0.588 56.903 56.400 -0.143 0.000 0.944 65 E CB 0.863 30.560 29.700 -0.006 0.000 0.937 65 E HN 0.792 nan 8.360 nan 0.000 0.495 66 A N 1.129 123.702 122.820 -0.411 0.000 2.486 66 A HA 0.627 4.948 4.320 0.001 0.000 0.300 66 A C -1.185 176.208 177.584 -0.319 0.000 1.048 66 A CA -0.614 51.102 52.037 -0.534 0.000 0.696 66 A CB 1.145 19.418 19.000 -1.211 0.000 1.278 66 A HN 0.058 nan 8.150 nan 0.000 0.405 67 I N 2.185 122.688 120.570 -0.111 0.000 2.378 67 I HA 0.280 4.451 4.170 0.001 0.000 0.291 67 I C -1.170 175.102 176.117 0.260 0.000 0.992 67 I CA -0.608 60.726 61.300 0.056 0.000 1.154 67 I CB 1.581 39.554 38.000 -0.044 0.000 1.315 67 I HN 0.719 nan 8.210 nan 0.000 0.448 68 Y N 8.065 128.496 120.300 0.217 0.000 2.369 68 Y HA 0.579 5.130 4.550 0.001 0.000 0.337 68 Y C -1.354 174.566 175.900 0.034 0.000 0.961 68 Y CA -1.373 56.846 58.100 0.198 0.000 1.186 68 Y CB 0.746 39.369 38.460 0.271 0.000 1.139 68 Y HN 0.368 nan 8.280 nan 0.000 0.494 69 L N 6.477 127.659 121.223 -0.069 0.000 2.309 69 L HA 0.386 4.727 4.340 0.001 0.000 0.282 69 L C 0.424 177.001 176.870 -0.489 0.000 1.036 69 L CA -0.726 53.905 54.840 -0.348 0.000 0.806 69 L CB 0.899 42.794 42.059 -0.273 0.000 1.220 69 L HN 0.642 nan 8.230 nan 0.000 0.429 70 N N 2.670 120.998 118.700 -0.619 0.000 2.326 70 N HA 0.163 4.903 4.740 0.001 0.000 0.239 70 N C -2.353 172.783 175.510 -0.623 0.000 1.301 70 N CA -1.095 51.584 53.050 -0.618 0.000 0.909 70 N CB 0.250 38.332 38.487 -0.675 0.000 1.156 70 N HN 0.278 nan 8.380 nan 0.000 0.462 71 P HA -0.110 nan 4.420 nan 0.000 0.261 71 P C 0.705 177.588 177.300 -0.695 0.000 1.158 71 P CA 0.426 63.066 63.100 -0.767 0.000 0.758 71 P CB 0.384 31.554 31.700 -0.884 0.000 0.763 72 V N 0.238 119.663 119.914 -0.816 0.000 3.477 72 V HA 0.303 4.424 4.120 0.001 0.000 0.297 72 V C 0.245 176.058 176.094 -0.469 0.000 1.433 72 V CA 0.102 62.028 62.300 -0.623 0.000 1.052 72 V CB -0.815 30.652 31.823 -0.594 0.000 0.895 72 V HN 0.062 nan 8.190 nan 0.000 0.438 73 F N 2.310 122.089 119.950 -0.284 0.000 2.406 73 F HA 0.769 5.297 4.527 0.001 0.000 0.327 73 F C 1.291 177.011 175.800 -0.133 0.000 1.153 73 F CA -1.107 56.769 58.000 -0.206 0.000 1.218 73 F CB 0.365 39.250 39.000 -0.191 0.000 1.215 73 F HN 0.155 nan 8.300 nan 0.000 0.570 74 A N 1.650 124.570 122.820 0.167 0.000 2.580 74 A HA 0.375 4.696 4.320 0.001 0.000 0.244 74 A C 0.372 178.002 177.584 0.077 0.000 1.045 74 A CA 0.683 52.782 52.037 0.104 0.000 0.761 74 A CB -0.400 18.673 19.000 0.122 0.000 0.962 74 A HN 0.730 nan 8.150 nan 0.000 0.512 75 S N 0.346 116.085 115.700 0.065 0.000 2.570 75 S HA 0.564 5.035 4.470 0.001 0.000 0.270 75 S C 0.738 175.403 174.600 0.108 0.000 1.149 75 S CA 0.177 58.419 58.200 0.071 0.000 0.837 75 S CB 1.037 64.236 63.200 -0.002 0.000 1.124 75 S HN 1.369 nan 8.310 nan 0.000 0.465 76 T N 0.303 114.939 114.554 0.137 0.000 3.081 76 T HA 0.514 4.865 4.350 0.001 0.000 0.250 76 T C 0.655 175.503 174.700 0.248 0.000 1.100 76 T CA 0.431 62.629 62.100 0.164 0.000 1.038 76 T CB -0.055 68.910 68.868 0.163 0.000 0.962 76 T HN 0.895 nan 8.240 nan 0.000 0.516 77 A N 2.519 125.387 122.820 0.079 0.000 2.303 77 A HA 0.578 4.899 4.320 0.001 0.000 0.317 77 A C 1.195 178.555 177.584 -0.374 0.000 1.149 77 A CA -0.708 51.171 52.037 -0.264 0.000 0.822 77 A CB 0.710 19.101 19.000 -1.014 0.000 1.131 77 A HN 0.331 nan 8.150 nan 0.000 0.493 78 N N 1.189 119.427 118.700 -0.770 0.000 2.309 78 N HA -0.208 4.532 4.740 0.001 0.000 0.182 78 N C 0.911 176.121 175.510 -0.501 0.000 1.018 78 N CA 2.289 54.675 53.050 -1.107 0.000 0.876 78 N CB -0.759 37.013 38.487 -1.191 0.000 0.972 78 N HN 0.894 nan 8.380 nan 0.000 0.434 79 H N -2.165 116.783 119.070 -0.202 0.000 2.551 79 H HA 0.406 4.963 4.556 0.001 0.000 0.266 79 H C 0.479 175.542 175.328 -0.443 0.000 0.964 79 H CA 0.070 55.995 56.048 -0.205 0.000 1.180 79 H CB -0.040 29.884 29.762 0.269 0.000 1.408 79 H HN 0.003 nan 8.280 nan 0.000 0.563 80 R N -1.787 118.473 120.500 -0.400 0.000 3.951 80 R HA -0.231 4.110 4.340 0.001 0.000 0.352 80 R C -0.483 175.654 176.300 -0.271 0.000 1.178 80 R CA 0.932 56.830 56.100 -0.336 0.000 0.949 80 R CB -2.703 27.346 30.300 -0.419 0.000 1.452 80 R HN 0.483 nan 8.270 nan 0.000 0.540 81 Y N -0.735 119.635 120.300 0.117 0.000 2.529 81 Y HA 0.099 4.650 4.550 0.001 0.000 0.290 81 Y C 0.743 176.790 175.900 0.245 0.000 1.177 81 Y CA 0.640 58.798 58.100 0.096 0.000 1.305 81 Y CB 0.283 38.752 38.460 0.015 0.000 1.047 81 Y HN 0.254 nan 8.280 nan 0.000 0.522 82 H N -0.394 118.797 119.070 0.201 0.000 2.572 82 H HA 0.219 4.776 4.556 0.001 0.000 0.248 82 H C -0.007 175.353 175.328 0.053 0.000 1.397 82 H CA -0.728 55.404 56.048 0.140 0.000 1.319 82 H CB 0.280 30.113 29.762 0.118 0.000 1.452 82 H HN -0.027 nan 8.280 nan 0.000 0.535 83 T N 1.437 116.055 114.554 0.106 0.000 2.916 83 T HA -0.005 4.346 4.350 0.001 0.000 0.303 83 T C 1.408 176.148 174.700 0.066 0.000 1.025 83 T CA -0.211 61.845 62.100 -0.073 0.000 1.142 83 T CB 1.809 70.362 68.868 -0.526 0.000 0.947 83 T HN 0.292 nan 8.240 nan 0.000 0.544 84 V N 0.866 120.855 119.914 0.125 0.000 3.048 84 V HA 0.209 4.330 4.120 0.001 0.000 0.241 84 V C 0.341 176.675 176.094 0.400 0.000 1.129 84 V CA 0.452 62.923 62.300 0.286 0.000 1.128 84 V CB 0.360 32.294 31.823 0.184 0.000 0.849 84 V HN 0.869 nan 8.190 nan 0.000 0.475 85 D N -1.775 118.781 120.400 0.260 0.000 2.470 85 D HA 0.230 4.871 4.640 0.001 0.000 0.233 85 D C -0.132 176.307 176.300 0.231 0.000 1.372 85 D CA -0.463 53.750 54.000 0.356 0.000 0.994 85 D CB 1.031 41.986 40.800 0.258 0.000 1.377 85 D HN 0.127 nan 8.370 nan 0.000 0.586 86 Y N 1.760 122.281 120.300 0.367 0.000 2.574 86 Y HA 0.055 4.606 4.550 0.001 0.000 0.294 86 Y C 1.446 177.049 175.900 -0.494 0.000 1.142 86 Y CA 0.634 58.663 58.100 -0.117 0.000 1.314 86 Y CB -0.014 38.455 38.460 0.016 0.000 0.991 86 Y HN 0.370 nan 8.280 nan 0.000 0.555 87 F N -0.599 119.450 119.950 0.164 0.000 2.641 87 F HA 0.206 4.734 4.527 0.001 0.000 0.302 87 F C 0.351 176.284 175.800 0.222 0.000 1.098 87 F CA 0.024 58.084 58.000 0.100 0.000 1.318 87 F CB 0.315 39.266 39.000 -0.081 0.000 1.035 87 F HN -0.138 nan 8.300 nan 0.000 0.551 88 Q N 0.482 120.471 119.800 0.314 0.000 2.305 88 Q HA 0.352 4.693 4.340 0.001 0.000 0.271 88 Q C -0.661 175.497 176.000 0.265 0.000 1.046 88 Q CA -0.553 55.428 55.803 0.298 0.000 0.798 88 Q CB 3.147 32.016 28.738 0.219 0.000 1.286 88 Q HN -0.187 nan 8.270 nan 0.000 0.435 89 V N 1.921 121.972 119.914 0.228 0.000 2.686 89 V HA -0.013 4.107 4.120 0.001 0.000 0.295 89 V C 0.426 176.576 176.094 0.094 0.000 1.055 89 V CA -0.140 62.234 62.300 0.123 0.000 1.050 89 V CB 0.952 32.777 31.823 0.003 0.000 0.984 89 V HN 0.724 nan 8.190 nan 0.000 0.482 90 D N 5.487 125.917 120.400 0.050 0.000 2.571 90 D HA 0.006 4.647 4.640 0.001 0.000 0.231 90 D C -1.557 174.779 176.300 0.059 0.000 1.133 90 D CA -0.536 53.495 54.000 0.052 0.000 0.862 90 D CB 1.156 41.968 40.800 0.020 0.000 1.179 90 D HN 0.300 nan 8.370 nan 0.000 0.474 91 P HA -0.142 nan 4.420 nan 0.000 0.215 91 P C 1.287 178.649 177.300 0.104 0.000 1.153 91 P CA 1.073 64.226 63.100 0.089 0.000 0.853 91 P CB 0.099 31.846 31.700 0.078 0.000 0.788 92 I N -1.539 119.097 120.570 0.110 0.000 2.454 92 I HA -0.191 3.980 4.170 0.001 0.000 0.254 92 I C 2.021 178.205 176.117 0.112 0.000 1.156 92 I CA 1.161 62.551 61.300 0.150 0.000 1.433 92 I CB -0.499 37.632 38.000 0.219 0.000 1.082 92 I HN -0.070 nan 8.210 nan 0.000 0.432 93 L N 0.058 121.320 121.223 0.065 0.000 2.395 93 L HA 0.060 4.401 4.340 0.001 0.000 0.218 93 L C 1.670 178.516 176.870 -0.039 0.000 1.130 93 L CA 0.935 55.776 54.840 0.002 0.000 0.826 93 L CB -0.237 41.782 42.059 -0.067 0.000 0.941 93 L HN 0.530 nan 8.230 nan 0.000 0.451 94 G N -1.207 107.615 108.800 0.037 0.000 2.229 94 G HA2 -0.023 3.938 3.960 0.001 0.000 0.189 94 G HA3 -0.023 3.938 3.960 0.001 0.000 0.189 94 G C 0.616 175.548 174.900 0.053 0.000 1.000 94 G CA -0.297 44.855 45.100 0.087 0.000 0.663 94 G HN 0.738 nan 8.290 nan 0.000 0.493 95 G N -0.000 108.812 108.800 0.021 0.000 2.782 95 G HA2 -0.052 3.909 3.960 0.001 0.000 0.228 95 G HA3 -0.052 3.909 3.960 0.001 0.000 0.228 95 G C 0.555 175.481 174.900 0.043 0.000 1.372 95 G CA 0.438 45.578 45.100 0.067 0.000 0.862 95 G HN 0.947 nan 8.290 nan 0.000 0.547 96 N N 0.515 119.300 118.700 0.141 0.000 2.091 96 N HA -0.109 4.631 4.740 0.001 0.000 0.193 96 N C 2.071 177.731 175.510 0.249 0.000 1.021 96 N CA 1.916 55.102 53.050 0.227 0.000 0.862 96 N CB -0.218 38.469 38.487 0.333 0.000 1.018 96 N HN 0.627 nan 8.380 nan 0.000 0.429 97 E N 0.598 120.905 120.200 0.178 0.000 2.153 97 E HA -0.069 4.281 4.350 0.001 0.000 0.194 97 E C 1.863 178.342 176.600 -0.201 0.000 0.988 97 E CA 0.811 57.295 56.400 0.140 0.000 0.811 97 E CB -0.344 29.516 29.700 0.268 0.000 0.746 97 E HN 0.396 nan 8.360 nan 0.000 0.466 98 A N 1.121 123.597 122.820 -0.573 0.000 1.898 98 A HA -0.138 4.183 4.320 0.001 0.000 0.216 98 A C 2.235 179.505 177.584 -0.522 0.000 1.181 98 A CA 1.179 52.452 52.037 -1.275 0.000 0.620 98 A CB -0.525 17.712 19.000 -1.271 0.000 0.819 98 A HN 0.248 nan 8.150 nan 0.000 0.442 99 L N -0.235 120.863 121.223 -0.208 0.000 2.027 99 L HA -0.080 4.261 4.340 0.001 0.000 0.206 99 L C 2.393 179.329 176.870 0.110 0.000 1.074 99 L CA 2.446 57.263 54.840 -0.040 0.000 0.745 99 L CB -0.712 41.361 42.059 0.023 0.000 0.898 99 L HN 0.400 nan 8.230 nan 0.000 0.433 100 R N -1.062 119.596 120.500 0.264 0.000 2.096 100 R HA -0.280 4.061 4.340 0.001 0.000 0.240 100 R C 2.445 178.769 176.300 0.039 0.000 1.139 100 R CA 2.181 58.367 56.100 0.143 0.000 0.952 100 R CB -0.920 29.455 30.300 0.125 0.000 0.854 100 R HN 0.664 nan 8.270 nan 0.000 0.436 101 H N -0.553 118.488 119.070 -0.048 0.000 2.389 101 H HA -0.064 4.493 4.556 0.001 0.000 0.299 101 H C 1.649 176.957 175.328 -0.034 0.000 1.081 101 H CA 1.768 57.818 56.048 0.003 0.000 1.345 101 H CB -0.256 29.573 29.762 0.112 0.000 1.393 101 H HN 0.252 nan 8.280 nan 0.000 0.520 102 L N 0.016 121.152 121.223 -0.146 0.000 2.046 102 L HA -0.087 4.254 4.340 0.001 0.000 0.208 102 L C 1.986 178.702 176.870 -0.256 0.000 1.077 102 L CA 1.447 56.167 54.840 -0.200 0.000 0.747 102 L CB -0.643 41.328 42.059 -0.147 0.000 0.896 102 L HN 0.380 nan 8.230 nan 0.000 0.432 103 L N -0.751 120.325 121.223 -0.245 0.000 2.017 103 L HA -0.199 4.142 4.340 0.001 0.000 0.208 103 L C 2.549 179.150 176.870 -0.448 0.000 1.073 103 L CA 1.557 56.131 54.840 -0.444 0.000 0.745 103 L CB -0.694 41.177 42.059 -0.313 0.000 0.894 103 L HN 0.334 nan 8.230 nan 0.000 0.432 104 E N -0.208 119.851 120.200 -0.236 0.000 2.058 104 E HA -0.212 4.139 4.350 0.001 0.000 0.194 104 E C 2.266 178.800 176.600 -0.111 0.000 0.997 104 E CA 1.557 57.882 56.400 -0.126 0.000 0.801 104 E CB -0.123 29.530 29.700 -0.078 0.000 0.746 104 E HN 0.249 nan 8.360 nan 0.000 0.450 105 V N 1.190 120.976 119.914 -0.214 0.000 2.343 105 V HA -0.269 3.852 4.120 0.001 0.000 0.247 105 V C 2.266 178.343 176.094 -0.029 0.000 1.051 105 V CA 1.859 64.077 62.300 -0.137 0.000 1.036 105 V CB -0.695 30.950 31.823 -0.298 0.000 0.654 105 V HN 0.326 nan 8.190 nan 0.000 0.451 106 A N -0.958 121.777 122.820 -0.141 0.000 1.873 106 A HA -0.233 4.088 4.320 0.001 0.000 0.215 106 A C 2.027 179.622 177.584 0.018 0.000 1.186 106 A CA 1.905 53.875 52.037 -0.111 0.000 0.616 106 A CB -0.900 17.974 19.000 -0.210 0.000 0.823 106 A HN 0.704 nan 8.150 nan 0.000 0.442 107 H N -0.742 118.288 119.070 -0.066 0.000 2.387 107 H HA -0.030 4.527 4.556 0.001 0.000 0.299 107 H C 2.383 177.679 175.328 -0.054 0.000 1.090 107 H CA 0.650 56.647 56.048 -0.085 0.000 1.332 107 H CB 0.021 29.725 29.762 -0.096 0.000 1.386 107 H HN 0.559 nan 8.280 nan 0.000 0.516 108 A N 0.475 123.364 122.820 0.114 0.000 2.125 108 A HA -0.170 4.151 4.320 0.001 0.000 0.219 108 A C 0.927 178.436 177.584 -0.125 0.000 1.156 108 A CA 1.435 53.473 52.037 0.002 0.000 0.671 108 A CB -0.326 18.679 19.000 0.008 0.000 0.794 108 A HN 0.464 nan 8.150 nan 0.000 0.459 109 H N -1.967 117.080 119.070 -0.038 0.000 2.528 109 H HA 0.403 4.959 4.556 0.001 0.000 0.282 109 H C 1.314 176.609 175.328 -0.056 0.000 1.097 109 H CA 0.093 56.112 56.048 -0.047 0.000 1.121 109 H CB 0.266 29.994 29.762 -0.056 0.000 1.590 109 H HN 0.483 nan 8.280 nan 0.000 0.553 110 G N 0.595 109.409 108.800 0.022 0.000 2.160 110 G HA2 -0.271 3.690 3.960 0.001 0.000 0.251 110 G HA3 -0.271 3.690 3.960 0.001 0.000 0.251 110 G C -0.170 174.696 174.900 -0.057 0.000 1.008 110 G CA 0.428 45.508 45.100 -0.032 0.000 0.724 110 G HN 0.261 nan 8.290 nan 0.000 0.514 111 V N 1.749 121.642 119.914 -0.035 0.000 2.398 111 V HA 0.592 4.713 4.120 0.001 0.000 0.286 111 V C 0.698 176.728 176.094 -0.107 0.000 1.026 111 V CA -1.096 61.142 62.300 -0.103 0.000 0.868 111 V CB 1.532 33.288 31.823 -0.112 0.000 0.982 111 V HN 0.325 nan 8.190 nan 0.000 0.443 112 R N 2.849 123.197 120.500 -0.253 0.000 2.500 112 R HA 0.717 5.058 4.340 0.001 0.000 0.277 112 R C -1.049 175.144 176.300 -0.178 0.000 1.026 112 R CA -0.532 55.374 56.100 -0.323 0.000 1.058 112 R CB 1.899 31.648 30.300 -0.919 0.000 1.078 112 R HN 0.468 nan 8.270 nan 0.000 0.509 113 V N 4.040 123.908 119.914 -0.076 0.000 2.525 113 V HA 0.430 4.550 4.120 0.001 0.000 0.299 113 V C 0.098 176.234 176.094 0.071 0.000 1.034 113 V CA -0.841 61.447 62.300 -0.021 0.000 0.863 113 V CB 1.759 33.519 31.823 -0.106 0.000 0.999 113 V HN 0.682 nan 8.190 nan 0.000 0.423 114 I N 3.005 123.683 120.570 0.181 0.000 2.648 114 I HA 0.766 4.937 4.170 0.001 0.000 0.304 114 I C -0.950 175.210 176.117 0.073 0.000 1.009 114 I CA -0.783 60.617 61.300 0.168 0.000 1.114 114 I CB 1.961 40.175 38.000 0.357 0.000 1.293 114 I HN 0.389 nan 8.210 nan 0.000 0.449 115 L N 2.506 123.669 121.223 -0.100 0.000 2.313 115 L HA 0.510 4.851 4.340 0.001 0.000 0.268 115 L C -0.440 176.498 176.870 0.115 0.000 1.010 115 L CA -0.782 53.968 54.840 -0.150 0.000 0.814 115 L CB 1.538 43.306 42.059 -0.485 0.000 1.304 115 L HN 0.648 nan 8.230 nan 0.000 0.441 116 D N 0.609 121.048 120.400 0.065 0.000 2.232 116 D HA 0.334 4.975 4.640 0.001 0.000 0.242 116 D C -0.422 175.946 176.300 0.113 0.000 1.093 116 D CA -0.150 53.929 54.000 0.132 0.000 0.845 116 D CB 2.008 42.809 40.800 0.002 0.000 1.124 116 D HN 0.628 nan 8.370 nan 0.000 0.467 117 G N 2.475 111.320 108.800 0.074 0.000 2.415 117 G HA2 0.427 4.388 3.960 0.001 0.000 0.317 117 G HA3 0.427 4.388 3.960 0.001 0.000 0.317 117 G C -0.319 174.030 174.900 -0.918 0.000 1.152 117 G CA -0.507 44.255 45.100 -0.563 0.000 0.956 117 G HN 0.356 nan 8.290 nan 0.000 0.458 118 V N 3.562 123.030 119.914 -0.743 0.000 2.247 118 V HA 0.235 4.356 4.120 0.001 0.000 0.262 118 V C -0.002 175.854 176.094 -0.397 0.000 1.096 118 V CA -0.474 61.568 62.300 -0.429 0.000 0.895 118 V CB -0.342 31.402 31.823 -0.131 0.000 1.141 118 V HN 0.670 nan 8.190 nan 0.000 0.478 119 F N 1.417 121.353 119.950 -0.024 0.000 2.721 119 F HA 0.194 4.722 4.527 0.002 0.000 0.301 119 F C 1.942 177.660 175.800 -0.138 0.000 1.096 119 F CA -0.241 57.709 58.000 -0.084 0.000 1.308 119 F CB -0.452 38.519 39.000 -0.049 0.000 1.086 119 F HN 0.457 nan 8.300 nan 0.000 0.587 120 N N -0.068 118.602 118.700 -0.050 0.000 2.300 120 N HA -0.102 4.639 4.740 0.001 0.000 0.179 120 N C 0.195 175.755 175.510 0.084 0.000 1.016 120 N CA 0.833 53.895 53.050 0.020 0.000 0.876 120 N CB 0.087 38.651 38.487 0.128 0.000 0.979 120 N HN 0.371 nan 8.380 nan 0.000 0.432 121 H N -3.870 115.300 119.070 0.167 0.000 3.017 121 H HA 0.403 4.959 4.556 0.002 0.000 0.346 121 H C -0.937 174.511 175.328 0.201 0.000 1.286 121 H CA -0.689 55.478 56.048 0.198 0.000 1.120 121 H CB 0.786 30.663 29.762 0.191 0.000 1.860 121 H HN 0.054 nan 8.280 nan 0.000 0.542 122 T N -1.355 113.402 114.554 0.339 0.000 2.848 122 T HA 0.649 5.000 4.350 0.001 0.000 0.281 122 T C 0.585 175.373 174.700 0.146 0.000 1.026 122 T CA -0.355 61.870 62.100 0.207 0.000 1.005 122 T CB 1.705 70.606 68.868 0.055 0.000 1.246 122 T HN 0.842 nan 8.240 nan 0.000 0.562 123 G N -0.673 108.189 108.800 0.105 0.000 2.522 123 G HA2 0.429 4.390 3.960 0.001 0.000 0.304 123 G HA3 0.429 4.390 3.960 0.001 0.000 0.304 123 G C 0.493 175.294 174.900 -0.164 0.000 1.210 123 G CA -0.963 44.133 45.100 -0.007 0.000 0.960 123 G HN 0.779 nan 8.290 nan 0.000 0.497 124 R N -0.480 119.844 120.500 -0.293 0.000 2.235 124 R HA -0.020 4.321 4.340 0.001 0.000 0.213 124 R C 2.438 178.754 176.300 0.026 0.000 1.059 124 R CA 0.837 56.668 56.100 -0.448 0.000 0.997 124 R CB -0.007 30.101 30.300 -0.320 0.000 0.884 124 R HN 0.542 nan 8.270 nan 0.000 0.462 125 G N 0.424 109.289 108.800 0.108 0.000 2.679 125 G HA2 -0.175 3.786 3.960 0.001 0.000 0.212 125 G HA3 -0.175 3.786 3.960 0.001 0.000 0.212 125 G C 0.238 175.282 174.900 0.240 0.000 1.137 125 G CA -0.382 44.824 45.100 0.177 0.000 0.787 125 G HN 0.117 nan 8.290 nan 0.000 0.534 126 F N 0.791 120.819 119.950 0.130 0.000 2.602 126 F HA 0.275 4.802 4.527 0.001 0.000 0.367 126 F C 1.419 177.322 175.800 0.173 0.000 1.126 126 F CA -1.419 56.692 58.000 0.185 0.000 1.321 126 F CB 0.491 39.647 39.000 0.259 0.000 1.094 126 F HN 0.065 nan 8.300 nan 0.000 0.594 127 F N 4.664 124.194 119.950 -0.700 0.000 2.065 127 F HA -0.254 4.274 4.527 0.001 0.000 0.298 127 F C 2.075 177.556 175.800 -0.533 0.000 1.112 127 F CA 2.349 59.989 58.000 -0.601 0.000 1.212 127 F CB -0.758 37.785 39.000 -0.761 0.000 0.975 127 F HN 0.524 nan 8.300 nan 0.000 0.476 128 A N -0.449 121.964 122.820 -0.678 0.000 1.902 128 A HA -0.227 4.094 4.320 0.001 0.000 0.217 128 A C 2.188 179.797 177.584 0.041 0.000 1.181 128 A CA 1.693 53.423 52.037 -0.513 0.000 0.623 128 A CB -1.582 17.230 19.000 -0.313 0.000 0.818 128 A HN 0.530 nan 8.150 nan 0.000 0.443 129 F N 0.256 120.309 119.950 0.170 0.000 2.146 129 F HA -0.144 4.384 4.527 0.001 0.000 0.298 129 F C 2.561 178.291 175.800 -0.116 0.000 1.096 129 F CA 1.880 59.848 58.000 -0.053 0.000 1.275 129 F CB -0.084 38.794 39.000 -0.202 0.000 1.008 129 F HN 0.173 nan 8.300 nan 0.000 0.480 130 Q N -0.510 119.306 119.800 0.027 0.000 2.170 130 Q HA -0.244 4.097 4.340 0.001 0.000 0.203 130 Q C 2.260 178.112 176.000 -0.247 0.000 0.976 130 Q CA 1.449 57.201 55.803 -0.086 0.000 0.858 130 Q CB -0.887 27.804 28.738 -0.079 0.000 0.907 130 Q HN 0.567 nan 8.270 nan 0.000 0.433 131 H N 0.107 118.895 119.070 -0.470 0.000 2.389 131 H HA 0.045 4.602 4.556 0.001 0.000 0.299 131 H C 1.043 176.227 175.328 -0.240 0.000 1.081 131 H CA 0.496 56.270 56.048 -0.456 0.000 1.345 131 H CB -0.004 29.331 29.762 -0.711 0.000 1.393 131 H HN 0.123 nan 8.280 nan 0.000 0.520 135 N N 1.140 119.750 118.700 -0.150 0.000 2.197 135 N HA 0.167 4.908 4.740 0.001 0.000 0.201 135 N C 1.193 176.580 175.510 -0.206 0.000 1.148 135 N CA 0.967 53.934 53.050 -0.138 0.000 0.883 135 N CB 2.130 40.562 38.487 -0.090 0.000 1.012 135 N HN 0.232 nan 8.380 nan 0.000 0.507 136 G N 2.636 111.279 108.800 -0.262 0.000 2.596 136 G HA2 -0.363 3.597 3.960 0.001 0.000 0.295 136 G HA3 -0.363 3.597 3.960 0.001 0.000 0.295 136 G C 0.723 175.102 174.900 -0.869 0.000 1.240 136 G CA 0.466 45.120 45.100 -0.743 0.000 0.985 136 G HN 0.198 nan 8.290 nan 0.000 0.555 137 E N 0.545 120.050 120.200 -1.158 0.000 2.219 137 E HA -0.148 4.202 4.350 0.001 0.000 0.198 137 E C 2.569 179.056 176.600 -0.189 0.000 0.998 137 E CA 1.631 57.723 56.400 -0.512 0.000 0.818 137 E CB -0.147 29.357 29.700 -0.326 0.000 0.741 137 E HN 0.680 nan 8.360 nan 0.000 0.477 138 Q N 0.099 119.792 119.800 -0.178 0.000 2.444 138 Q HA 0.041 4.382 4.340 0.001 0.000 0.206 138 Q C 0.477 176.480 176.000 0.005 0.000 0.948 138 Q CA -0.144 55.619 55.803 -0.067 0.000 0.946 138 Q CB 0.395 29.094 28.738 -0.065 0.000 1.027 138 Q HN -0.096 nan 8.270 nan 0.000 0.513 139 S N 1.800 117.517 115.700 0.028 0.000 2.499 139 S HA 0.163 4.634 4.470 0.001 0.000 0.275 139 S C -1.831 172.834 174.600 0.110 0.000 1.257 139 S CA -1.606 56.693 58.200 0.165 0.000 1.050 139 S CB 0.755 64.095 63.200 0.234 0.000 0.937 139 S HN 0.079 nan 8.310 nan 0.000 0.490 140 P HA 0.094 nan 4.420 nan 0.000 0.256 140 P C -0.430 176.698 177.300 -0.287 0.000 1.335 140 P CA 0.331 63.362 63.100 -0.115 0.000 0.808 140 P CB -0.273 31.326 31.700 -0.168 0.000 1.305 141 Y N -1.056 119.225 120.300 -0.031 0.000 2.612 141 Y HA 0.311 4.862 4.550 0.001 0.000 0.250 141 Y C 2.411 178.454 175.900 0.238 0.000 1.175 141 Y CA -0.425 57.698 58.100 0.038 0.000 1.205 141 Y CB 0.020 38.308 38.460 -0.285 0.000 1.201 141 Y HN -0.187 nan 8.280 nan 0.000 0.532 142 R N 0.779 121.449 120.500 0.283 0.000 2.103 142 R HA -0.183 4.158 4.340 0.001 0.000 0.242 142 R C 0.658 177.128 176.300 0.283 0.000 1.142 142 R CA 2.141 58.420 56.100 0.299 0.000 0.960 142 R CB -0.082 30.363 30.300 0.242 0.000 0.858 142 R HN 0.257 nan 8.270 nan 0.000 0.439 143 D N -1.125 119.405 120.400 0.217 0.000 2.324 143 D HA -0.092 4.549 4.640 0.001 0.000 0.235 143 D C 0.557 176.871 176.300 0.024 0.000 1.095 143 D CA 0.363 54.421 54.000 0.097 0.000 0.871 143 D CB -0.057 40.750 40.800 0.012 0.000 0.906 143 D HN 0.371 nan 8.370 nan 0.000 0.522 144 W N -0.101 121.173 121.300 -0.043 0.000 2.770 144 W HA 0.033 4.693 4.660 0.001 0.000 0.256 144 W C 0.297 176.464 176.519 -0.588 0.000 1.291 144 W CA 0.212 57.406 57.345 -0.252 0.000 1.396 144 W CB 0.175 29.540 29.460 -0.158 0.000 1.114 144 W HN -0.100 nan 8.180 nan 0.000 0.637 145 Y N -1.905 118.505 120.300 0.183 0.000 2.665 145 Y HA 0.313 4.864 4.550 0.002 0.000 0.336 145 Y C 0.257 176.144 175.900 -0.023 0.000 1.085 145 Y CA -1.556 56.606 58.100 0.103 0.000 1.096 145 Y CB 0.650 39.238 38.460 0.214 0.000 1.301 145 Y HN -0.283 nan 8.280 nan 0.000 0.493 146 H N 1.226 120.501 119.070 0.342 0.000 2.726 146 H HA 0.281 4.838 4.556 0.001 0.000 0.244 146 H C -0.853 174.606 175.328 0.219 0.000 1.669 146 H CA -0.140 56.040 56.048 0.220 0.000 1.293 146 H CB -0.071 29.807 29.762 0.193 0.000 1.640 146 H HN 0.186 nan 8.280 nan 0.000 0.553 147 V N 3.694 123.744 119.914 0.227 0.000 2.470 147 V HA -0.022 4.099 4.120 0.001 0.000 0.276 147 V C 1.332 177.438 176.094 0.021 0.000 1.040 147 V CA 0.001 62.353 62.300 0.087 0.000 1.008 147 V CB 1.196 32.970 31.823 -0.082 0.000 0.990 147 V HN 0.628 nan 8.190 nan 0.000 0.477 148 K N 3.375 123.779 120.400 0.006 0.000 2.243 148 K HA 0.339 4.659 4.320 0.001 0.000 0.201 148 K C 0.902 177.455 176.600 -0.079 0.000 1.051 148 K CA 0.814 57.093 56.287 -0.013 0.000 0.970 148 K CB 0.309 32.806 32.500 -0.003 0.000 0.755 148 K HN 0.899 nan 8.250 nan 0.000 0.465 149 G N -0.169 108.498 108.800 -0.222 0.000 2.317 149 G HA2 0.352 4.313 3.960 0.001 0.000 0.293 149 G HA3 0.352 4.313 3.960 0.001 0.000 0.293 149 G C -1.950 172.645 174.900 -0.508 0.000 1.287 149 G CA -1.013 43.933 45.100 -0.255 0.000 0.850 149 G HN -0.019 nan 8.290 nan 0.000 0.515 150 F N 1.420 121.406 119.950 0.060 0.000 2.576 150 F HA 0.672 5.200 4.527 0.001 0.000 0.313 150 F C -1.468 174.358 175.800 0.044 0.000 1.078 150 F CA -1.316 56.714 58.000 0.051 0.000 0.921 150 F CB 1.955 40.976 39.000 0.035 0.000 1.232 150 F HN 0.410 nan 8.300 nan 0.000 0.459 151 P HA 0.263 nan 4.420 nan 0.000 0.274 151 P C 0.626 178.031 177.300 0.175 0.000 1.246 151 P CA -0.400 62.858 63.100 0.264 0.000 0.795 151 P CB 1.181 32.987 31.700 0.177 0.000 1.006 152 L N -0.169 121.173 121.223 0.198 0.000 2.191 152 L HA -0.123 4.218 4.340 0.001 0.000 0.212 152 L C 0.952 177.958 176.870 0.226 0.000 1.103 152 L CA 0.856 55.811 54.840 0.192 0.000 0.769 152 L CB -0.766 41.391 42.059 0.163 0.000 0.908 152 L HN 0.572 nan 8.230 nan 0.000 0.438 153 K N -0.576 119.938 120.400 0.190 0.000 3.148 153 K HA -0.253 4.067 4.320 0.001 0.000 0.267 153 K C 1.050 177.739 176.600 0.149 0.000 0.996 153 K CA 0.223 56.603 56.287 0.156 0.000 0.737 153 K CB -1.408 31.144 32.500 0.087 0.000 1.308 153 K HN 0.425 nan 8.250 nan 0.000 0.470 154 A N -0.309 122.651 122.820 0.234 0.000 2.121 154 A HA -0.097 4.224 4.320 0.001 0.000 0.218 154 A C 0.951 178.320 177.584 -0.359 0.000 1.154 154 A CA 1.036 53.138 52.037 0.109 0.000 0.679 154 A CB -0.218 18.859 19.000 0.129 0.000 0.795 154 A HN 0.503 nan 8.150 nan 0.000 0.458 155 Y N 0.368 120.752 120.300 0.140 0.000 2.720 155 Y HA 0.242 4.792 4.550 0.001 0.000 0.277 155 Y C 1.114 177.043 175.900 0.048 0.000 1.144 155 Y CA 0.076 58.227 58.100 0.086 0.000 1.221 155 Y CB 0.068 38.577 38.460 0.081 0.000 1.163 155 Y HN 0.296 nan 8.280 nan 0.000 0.537 156 T N -4.161 110.437 114.554 0.072 0.000 2.910 156 T HA 0.684 5.035 4.350 0.001 0.000 0.287 156 T C 1.089 175.744 174.700 -0.074 0.000 1.050 156 T CA -0.406 61.713 62.100 0.033 0.000 1.011 156 T CB 1.730 70.633 68.868 0.058 0.000 1.195 156 T HN 0.003 nan 8.240 nan 0.000 0.540 157 A N -0.287 122.445 122.820 -0.147 0.000 2.238 157 A HA 0.168 4.488 4.320 0.001 0.000 0.208 157 A C 0.709 177.900 177.584 -0.655 0.000 1.177 157 A CA 0.262 52.081 52.037 -0.363 0.000 0.804 157 A CB -0.612 18.143 19.000 -0.409 0.000 0.823 157 A HN 0.835 nan 8.150 nan 0.000 0.482 158 H N 0.418 119.439 119.070 -0.081 0.000 2.380 158 H HA 0.228 4.785 4.556 0.001 0.000 0.231 158 H C -2.834 172.393 175.328 -0.168 0.000 1.415 158 H CA -1.901 54.080 56.048 -0.112 0.000 1.433 158 H CB 0.167 29.885 29.762 -0.074 0.000 1.544 158 H HN 0.331 nan 8.280 nan 0.000 0.503 159 P HA -0.030 nan 4.420 nan 0.000 0.269 159 P C 0.626 177.662 177.300 -0.441 0.000 1.209 159 P CA -0.267 62.525 63.100 -0.514 0.000 0.776 159 P CB 1.411 32.440 31.700 -1.119 0.000 0.876 160 N N 1.616 120.152 118.700 -0.274 0.000 2.509 160 N HA 0.059 4.799 4.740 0.001 0.000 0.239 160 N C -0.669 174.855 175.510 0.023 0.000 1.215 160 N CA 0.067 53.063 53.050 -0.091 0.000 0.882 160 N CB -0.874 37.594 38.487 -0.031 0.000 1.189 160 N HN 0.453 nan 8.380 nan 0.000 0.490 161 Y N -2.905 117.413 120.300 0.031 0.000 2.641 161 Y HA 0.405 4.956 4.550 0.001 0.000 0.333 161 Y C -0.532 175.435 175.900 0.112 0.000 1.174 161 Y CA -1.385 56.768 58.100 0.087 0.000 1.057 161 Y CB 0.465 39.007 38.460 0.136 0.000 1.322 161 Y HN -0.194 nan 8.280 nan 0.000 0.457 162 E N 1.488 121.890 120.200 0.337 0.000 2.384 162 E HA 0.544 4.895 4.350 0.001 0.000 0.266 162 E C -0.684 176.116 176.600 0.333 0.000 1.012 162 E CA 0.046 56.580 56.400 0.224 0.000 0.901 162 E CB 0.985 30.770 29.700 0.142 0.000 0.967 162 E HN 0.756 nan 8.360 nan 0.000 0.435 163 A N 2.992 125.931 122.820 0.198 0.000 2.498 163 A HA 0.287 4.608 4.320 0.001 0.000 0.298 163 A C -1.708 175.990 177.584 0.190 0.000 1.075 163 A CA -0.780 51.392 52.037 0.225 0.000 0.714 163 A CB 0.642 19.728 19.000 0.144 0.000 1.299 163 A HN 0.733 nan 8.150 nan 0.000 0.407 164 W N 2.413 123.715 121.300 0.004 0.000 2.505 164 W HA 0.324 4.984 4.660 0.001 0.000 0.332 164 W C -0.387 176.207 176.519 0.123 0.000 1.434 164 W CA 1.021 58.360 57.345 -0.011 0.000 1.320 164 W CB -0.145 29.080 29.460 -0.392 0.000 1.363 164 W HN 0.651 nan 8.180 nan 0.000 0.565 165 W N 4.497 125.374 121.300 -0.704 0.000 4.551 165 W HA -0.229 4.431 4.660 0.001 0.000 0.343 165 W C 1.710 178.016 176.519 -0.355 0.000 1.269 165 W CA 1.571 58.505 57.345 -0.685 0.000 0.799 165 W CB -1.714 27.082 29.460 -1.106 0.000 2.352 165 W HN 1.207 nan 8.180 nan 0.000 1.462 166 G N -0.593 108.182 108.800 -0.042 0.000 2.168 166 G HA2 -0.400 3.561 3.960 0.001 0.000 0.263 166 G HA3 -0.400 3.561 3.960 0.001 0.000 0.263 166 G C 0.394 175.254 174.900 -0.067 0.000 0.977 166 G CA 0.165 45.225 45.100 -0.066 0.000 0.659 166 G HN 0.564 nan 8.290 nan 0.000 0.533 167 N N 1.217 119.910 118.700 -0.011 0.000 2.401 167 N HA 0.258 4.998 4.740 0.001 0.000 0.255 167 N C -0.295 175.196 175.510 -0.032 0.000 1.110 167 N CA -1.504 51.539 53.050 -0.011 0.000 0.949 167 N CB 1.473 39.996 38.487 0.059 0.000 1.110 167 N HN 0.144 nan 8.380 nan 0.000 0.490 168 P HA -0.138 nan 4.420 nan 0.000 0.223 168 P C 0.205 177.457 177.300 -0.080 0.000 1.144 168 P CA 1.242 64.301 63.100 -0.068 0.000 0.783 168 P CB 0.417 32.039 31.700 -0.130 0.000 0.771 169 E N -0.644 119.464 120.200 -0.153 0.000 2.427 169 E HA 0.004 4.355 4.350 0.001 0.000 0.196 169 E C 0.178 176.536 176.600 -0.404 0.000 1.028 169 E CA 0.387 56.600 56.400 -0.311 0.000 0.864 169 E CB -0.162 29.326 29.700 -0.352 0.000 0.813 169 E HN 0.298 nan 8.360 nan 0.000 0.514 170 L N 1.081 122.178 121.223 -0.210 0.000 2.556 170 L HA 0.304 4.645 4.340 0.001 0.000 0.243 170 L C -2.600 174.298 176.870 0.046 0.000 1.331 170 L CA -1.835 52.921 54.840 -0.140 0.000 0.927 170 L CB 0.941 42.840 42.059 -0.266 0.000 1.219 170 L HN -0.277 nan 8.230 nan 0.000 0.490 171 P HA -0.035 nan 4.420 nan 0.000 0.262 171 P C -0.199 177.357 177.300 0.426 0.000 1.199 171 P CA -0.010 63.152 63.100 0.104 0.000 0.763 171 P CB 0.434 31.782 31.700 -0.587 0.000 0.790 172 K N 4.116 124.827 120.400 0.518 0.000 2.379 172 K HA 0.111 4.432 4.320 0.001 0.000 0.284 172 K C -0.236 176.700 176.600 0.560 0.000 1.044 172 K CA -0.528 56.079 56.287 0.534 0.000 0.974 172 K CB 0.168 32.953 32.500 0.475 0.000 0.962 172 K HN 0.260 nan 8.250 nan 0.000 0.474 173 L N 4.189 125.608 121.223 0.327 0.000 2.426 173 L HA 0.106 4.447 4.340 0.001 0.000 0.271 173 L C 0.363 177.198 176.870 -0.058 0.000 1.169 173 L CA 0.613 55.458 54.840 0.009 0.000 0.836 173 L CB 0.757 42.785 42.059 -0.052 0.000 1.112 173 L HN 0.567 nan 8.230 nan 0.000 0.465 174 K N 3.042 123.244 120.400 -0.330 0.000 2.229 174 K HA 0.189 4.509 4.320 0.001 0.000 0.247 174 K C 0.741 177.129 176.600 -0.355 0.000 1.117 174 K CA -0.247 55.749 56.287 -0.485 0.000 1.036 174 K CB 0.312 32.430 32.500 -0.637 0.000 1.654 174 K HN 0.536 nan 8.250 nan 0.000 0.405 175 V N 3.036 122.786 119.914 -0.273 0.000 2.568 175 V HA -0.284 3.837 4.120 0.001 0.000 0.253 175 V C 2.187 178.109 176.094 -0.286 0.000 1.072 175 V CA 2.187 64.268 62.300 -0.365 0.000 1.084 175 V CB -0.652 30.844 31.823 -0.544 0.000 0.676 175 V HN 0.806 nan 8.190 nan 0.000 0.469 176 E N -0.041 120.042 120.200 -0.195 0.000 2.204 176 E HA -0.142 4.209 4.350 0.001 0.000 0.194 176 E C 0.817 177.325 176.600 -0.154 0.000 0.989 176 E CA 0.975 57.297 56.400 -0.130 0.000 0.824 176 E CB -0.513 29.148 29.700 -0.065 0.000 0.756 176 E HN 0.507 nan 8.360 nan 0.000 0.477 177 T N 3.629 118.046 114.554 -0.229 0.000 2.853 177 T HA 0.041 4.392 4.350 0.001 0.000 0.298 177 T C -1.867 172.676 174.700 -0.262 0.000 0.978 177 T CA -1.096 60.851 62.100 -0.255 0.000 1.152 177 T CB 1.298 69.946 68.868 -0.368 0.000 0.914 177 T HN 0.046 nan 8.240 nan 0.000 0.539 178 P HA -0.180 nan 4.420 nan 0.000 0.216 178 P C 1.458 178.665 177.300 -0.155 0.000 1.154 178 P CA 1.125 64.147 63.100 -0.129 0.000 0.865 178 P CB 0.073 31.726 31.700 -0.079 0.000 0.789 179 A N -0.882 121.811 122.820 -0.213 0.000 1.933 179 A HA -0.163 4.158 4.320 0.001 0.000 0.218 179 A C 2.315 179.658 177.584 -0.401 0.000 1.175 179 A CA 1.903 53.832 52.037 -0.180 0.000 0.628 179 A CB -1.670 17.279 19.000 -0.085 0.000 0.814 179 A HN 0.053 nan 8.150 nan 0.000 0.444 180 V N -0.011 119.416 119.914 -0.811 0.000 2.270 180 V HA -0.228 3.893 4.120 0.001 0.000 0.245 180 V C 2.622 178.538 176.094 -0.297 0.000 1.043 180 V CA 2.143 63.911 62.300 -0.887 0.000 1.014 180 V CB -0.840 30.447 31.823 -0.893 0.000 0.645 180 V HN 0.688 nan 8.190 nan 0.000 0.447 181 R N -0.031 120.339 120.500 -0.217 0.000 2.091 181 R HA -0.227 4.114 4.340 0.001 0.000 0.238 181 R C 2.400 178.727 176.300 0.044 0.000 1.136 181 R CA 1.914 58.000 56.100 -0.023 0.000 0.959 181 R CB -0.279 30.024 30.300 0.005 0.000 0.856 181 R HN 0.461 nan 8.270 nan 0.000 0.437 182 E N -0.145 120.064 120.200 0.016 0.000 2.072 182 E HA -0.210 4.140 4.350 0.001 0.000 0.191 182 E C 1.677 178.351 176.600 0.123 0.000 0.985 182 E CA 1.195 57.628 56.400 0.055 0.000 0.801 182 E CB -0.418 29.316 29.700 0.057 0.000 0.750 182 E HN 0.441 nan 8.360 nan 0.000 0.452 183 Y N 1.196 121.538 120.300 0.070 0.000 2.097 183 Y HA -0.212 4.339 4.550 0.001 0.000 0.282 183 Y C 2.304 178.272 175.900 0.113 0.000 1.152 183 Y CA 1.845 60.071 58.100 0.210 0.000 1.136 183 Y CB -0.405 38.292 38.460 0.396 0.000 0.975 183 Y HN -0.024 nan 8.280 nan 0.000 0.498 184 L N -0.457 120.842 121.223 0.127 0.000 2.083 184 L HA -0.246 4.095 4.340 0.001 0.000 0.209 184 L C 2.408 179.144 176.870 -0.224 0.000 1.083 184 L CA 1.192 55.960 54.840 -0.120 0.000 0.752 184 L CB -0.588 41.437 42.059 -0.057 0.000 0.899 184 L HN 0.329 nan 8.230 nan 0.000 0.433 185 L N -0.605 120.556 121.223 -0.105 0.000 2.109 185 L HA -0.114 4.227 4.340 0.001 0.000 0.207 185 L C 2.850 179.641 176.870 -0.131 0.000 1.086 185 L CA 0.856 55.594 54.840 -0.170 0.000 0.760 185 L CB -0.635 41.341 42.059 -0.138 0.000 0.910 185 L HN 0.211 nan 8.230 nan 0.000 0.437 186 A N -0.326 122.459 122.820 -0.058 0.000 1.972 186 A HA -0.132 4.189 4.320 0.001 0.000 0.219 186 A C 2.334 179.930 177.584 0.020 0.000 1.169 186 A CA 1.534 53.586 52.037 0.025 0.000 0.635 186 A CB -0.657 18.407 19.000 0.106 0.000 0.810 186 A HN 0.189 nan 8.150 nan 0.000 0.446 187 V N -0.243 119.569 119.914 -0.169 0.000 2.307 187 V HA -0.225 3.896 4.120 0.001 0.000 0.245 187 V C 3.075 179.276 176.094 0.178 0.000 1.045 187 V CA 1.864 64.014 62.300 -0.250 0.000 1.024 187 V CB -1.189 30.433 31.823 -0.334 0.000 0.651 187 V HN 0.609 nan 8.190 nan 0.000 0.449 188 A N -0.556 122.258 122.820 -0.010 0.000 1.908 188 A HA -0.309 4.012 4.320 0.001 0.000 0.218 188 A C 2.291 180.076 177.584 0.336 0.000 1.181 188 A CA 2.295 54.367 52.037 0.058 0.000 0.627 188 A CB -0.498 18.140 19.000 -0.604 0.000 0.818 188 A HN 0.649 nan 8.150 nan 0.000 0.445 189 E N -1.410 118.854 120.200 0.106 0.000 2.046 189 E HA -0.234 4.117 4.350 0.001 0.000 0.190 189 E C 1.912 178.604 176.600 0.152 0.000 0.982 189 E CA 1.099 57.562 56.400 0.106 0.000 0.800 189 E CB -0.289 29.429 29.700 0.030 0.000 0.756 189 E HN 0.799 nan 8.360 nan 0.000 0.449 190 H N -0.585 118.494 119.070 0.016 0.000 2.289 190 H HA -0.196 4.360 4.556 0.001 0.000 0.294 190 H C 1.580 176.810 175.328 -0.164 0.000 1.095 190 H CA 2.693 58.664 56.048 -0.129 0.000 1.256 190 H CB -0.497 29.093 29.762 -0.287 0.000 1.359 190 H HN 0.263 nan 8.280 nan 0.000 0.487 191 W N -0.085 121.329 121.300 0.189 0.000 2.425 191 W HA -0.067 4.595 4.660 0.002 0.000 0.277 191 W C 2.148 178.704 176.519 0.063 0.000 1.231 191 W CA 0.047 57.441 57.345 0.082 0.000 1.248 191 W CB 0.063 29.620 29.460 0.161 0.000 1.117 191 W HN 0.251 nan 8.180 nan 0.000 0.568 192 I N 0.494 121.221 120.570 0.262 0.000 2.202 192 I HA -0.202 3.968 4.170 0.001 0.000 0.242 192 I C 2.189 178.382 176.117 0.126 0.000 1.091 192 I CA 1.546 62.949 61.300 0.171 0.000 1.368 192 I CB -1.333 36.777 38.000 0.183 0.000 1.058 192 I HN 0.077 nan 8.210 nan 0.000 0.410 193 R N -0.372 120.171 120.500 0.073 0.000 2.148 193 R HA -0.159 4.182 4.340 0.001 0.000 0.227 193 R C 2.211 178.522 176.300 0.018 0.000 1.103 193 R CA 0.950 57.064 56.100 0.023 0.000 0.983 193 R CB -0.395 29.899 30.300 -0.011 0.000 0.874 193 R HN 0.229 nan 8.270 nan 0.000 0.451 194 F N 0.001 119.853 119.950 -0.162 0.000 2.293 194 F HA -0.033 4.495 4.527 0.001 0.000 0.300 194 F C 1.452 177.266 175.800 0.022 0.000 1.086 194 F CA 1.706 59.633 58.000 -0.123 0.000 1.375 194 F CB 0.399 39.316 39.000 -0.138 0.000 1.045 194 F HN 0.159 nan 8.300 nan 0.000 0.516 195 G N -0.642 108.282 108.800 0.207 0.000 2.672 195 G HA2 -0.144 3.817 3.960 0.001 0.000 0.197 195 G HA3 -0.144 3.817 3.960 0.001 0.000 0.197 195 G C -0.116 174.930 174.900 0.244 0.000 0.995 195 G CA -0.119 45.088 45.100 0.177 0.000 0.754 195 G HN 0.172 nan 8.290 nan 0.000 0.505 196 V N 2.345 122.400 119.914 0.235 0.000 2.788 196 V HA 0.160 4.280 4.120 0.001 0.000 0.307 196 V C 0.944 177.094 176.094 0.093 0.000 1.069 196 V CA 1.065 63.430 62.300 0.108 0.000 1.173 196 V CB 1.189 32.999 31.823 -0.021 0.000 0.925 196 V HN 0.344 nan 8.190 nan 0.000 0.492 197 D N 2.794 123.257 120.400 0.104 0.000 2.339 197 D HA 0.302 4.943 4.640 0.001 0.000 0.217 197 D C 0.644 177.145 176.300 0.335 0.000 1.050 197 D CA 0.934 55.041 54.000 0.178 0.000 0.856 197 D CB 1.091 41.914 40.800 0.038 0.000 0.922 197 D HN 0.774 nan 8.370 nan 0.000 0.518 198 G N 0.045 108.937 108.800 0.154 0.000 2.322 198 G HA2 0.326 4.287 3.960 0.001 0.000 0.295 198 G HA3 0.326 4.287 3.960 0.001 0.000 0.295 198 G C -2.250 172.634 174.900 -0.027 0.000 1.369 198 G CA -1.068 44.148 45.100 0.192 0.000 0.821 198 G HN 0.058 nan 8.290 nan 0.000 0.536 199 W N 0.007 121.403 121.300 0.160 0.000 3.022 199 W HA 0.731 5.392 4.660 0.001 0.000 0.335 199 W C 0.048 176.494 176.519 -0.122 0.000 1.133 199 W CA -0.933 56.491 57.345 0.131 0.000 1.219 199 W CB 2.243 31.926 29.460 0.371 0.000 1.409 199 W HN 0.455 nan 8.180 nan 0.000 0.507 200 R N 4.104 124.676 120.500 0.121 0.000 2.310 200 R HA 0.474 4.815 4.340 0.001 0.000 0.324 200 R C -1.425 174.788 176.300 -0.144 0.000 0.955 200 R CA -0.489 55.466 56.100 -0.242 0.000 0.830 200 R CB 0.535 30.539 30.300 -0.494 0.000 1.154 200 R HN 0.744 nan 8.270 nan 0.000 0.458 201 L N 4.518 125.531 121.223 -0.349 0.000 2.276 201 L HA 0.264 4.605 4.340 0.001 0.000 0.286 201 L C 0.126 176.797 176.870 -0.331 0.000 1.061 201 L CA -0.672 53.948 54.840 -0.367 0.000 0.807 201 L CB 1.105 42.760 42.059 -0.673 0.000 1.177 201 L HN 0.408 nan 8.230 nan 0.000 0.429 202 D N 2.070 122.353 120.400 -0.194 0.000 2.345 202 D HA 0.113 4.754 4.640 0.001 0.000 0.247 202 D C 0.666 176.902 176.300 -0.107 0.000 1.108 202 D CA -0.226 53.700 54.000 -0.124 0.000 0.894 202 D CB 1.445 42.187 40.800 -0.097 0.000 1.203 202 D HN 0.457 nan 8.370 nan 0.000 0.430 203 V N 0.263 120.143 119.914 -0.058 0.000 5.411 203 V HA -0.191 3.930 4.120 0.001 0.000 0.192 203 V C -1.252 174.888 176.094 0.077 0.000 0.723 203 V CA 0.028 62.356 62.300 0.047 0.000 0.577 203 V CB -1.541 30.392 31.823 0.184 0.000 0.223 203 V HN 0.605 nan 8.190 nan 0.000 0.455 204 P HA -0.204 nan 4.420 nan 0.000 0.218 204 P C 1.537 179.015 177.300 0.296 0.000 1.146 204 P CA 2.110 65.167 63.100 -0.071 0.000 0.813 204 P CB -0.139 31.140 31.700 -0.702 0.000 0.778 205 N N 0.199 118.998 118.700 0.166 0.000 2.453 205 N HA -0.145 4.595 4.740 0.001 0.000 0.183 205 N C 1.247 177.007 175.510 0.417 0.000 1.041 205 N CA 0.921 54.223 53.050 0.420 0.000 0.900 205 N CB -0.678 38.003 38.487 0.324 0.000 0.961 205 N HN 0.146 nan 8.380 nan 0.000 0.443 206 E N 0.660 121.087 120.200 0.379 0.000 2.347 206 E HA 0.102 4.453 4.350 0.001 0.000 0.196 206 E C 0.425 177.214 176.600 0.315 0.000 1.008 206 E CA 0.225 56.837 56.400 0.354 0.000 0.852 206 E CB 0.245 30.191 29.700 0.411 0.000 0.783 206 E HN 0.520 nan 8.360 nan 0.000 0.505 207 I N 3.798 124.600 120.570 0.387 0.000 2.310 207 I HA 0.063 4.234 4.170 0.001 0.000 0.287 207 I C -1.487 174.827 176.117 0.329 0.000 1.073 207 I CA -1.539 59.912 61.300 0.252 0.000 1.216 207 I CB 1.402 39.457 38.000 0.092 0.000 1.415 207 I HN -0.204 nan 8.210 nan 0.000 0.480 208 P HA -0.086 nan 4.420 nan 0.000 0.244 208 P C -0.068 177.343 177.300 0.184 0.000 1.211 208 P CA 0.627 63.851 63.100 0.207 0.000 0.760 208 P CB 0.009 31.786 31.700 0.127 0.000 0.961 209 D N 0.423 120.923 120.400 0.166 0.000 2.472 209 D HA 0.222 4.863 4.640 0.001 0.000 0.234 209 D C -1.726 174.698 176.300 0.206 0.000 1.088 209 D CA -2.618 51.466 54.000 0.139 0.000 0.882 209 D CB 1.081 41.918 40.800 0.062 0.000 1.037 209 D HN -0.161 nan 8.370 nan 0.000 0.520 210 P HA -0.167 nan 4.420 nan 0.000 0.217 210 P C 1.311 178.725 177.300 0.190 0.000 1.148 210 P CA 1.493 64.770 63.100 0.295 0.000 0.828 210 P CB 0.089 31.941 31.700 0.253 0.000 0.783 211 T N -4.125 110.504 114.554 0.125 0.000 2.881 211 T HA -0.192 4.159 4.350 0.001 0.000 0.270 211 T C 1.632 176.361 174.700 0.048 0.000 1.068 211 T CA 0.628 62.772 62.100 0.073 0.000 1.131 211 T CB -1.297 67.603 68.868 0.052 0.000 0.871 211 T HN -0.007 nan 8.240 nan 0.000 0.479 212 F N 0.698 120.577 119.950 -0.117 0.000 2.113 212 F HA 0.112 4.640 4.527 0.002 0.000 0.297 212 F C 1.887 177.551 175.800 -0.228 0.000 1.103 212 F CA 0.659 58.495 58.000 -0.274 0.000 1.248 212 F CB -0.524 38.158 39.000 -0.530 0.000 0.999 212 F HN 0.162 nan 8.300 nan 0.000 0.475 213 W N 0.543 121.910 121.300 0.111 0.000 2.402 213 W HA -0.068 4.593 4.660 0.001 0.000 0.286 213 W C 2.546 179.072 176.519 0.011 0.000 1.221 213 W CA 0.789 58.162 57.345 0.047 0.000 1.257 213 W CB -0.355 29.170 29.460 0.109 0.000 1.120 213 W HN -0.145 nan 8.180 nan 0.000 0.551 214 R N 0.235 120.833 120.500 0.163 0.000 2.075 214 R HA -0.144 4.197 4.340 0.001 0.000 0.232 214 R C 1.983 178.301 176.300 0.029 0.000 1.126 214 R CA 1.579 57.724 56.100 0.076 0.000 0.963 214 R CB -0.544 29.775 30.300 0.031 0.000 0.858 214 R HN 0.247 nan 8.270 nan 0.000 0.435 215 E N 0.089 120.259 120.200 -0.050 0.000 2.106 215 E HA -0.186 4.165 4.350 0.001 0.000 0.192 215 E C 1.653 178.167 176.600 -0.143 0.000 0.984 215 E CA 0.757 57.092 56.400 -0.108 0.000 0.806 215 E CB -0.034 29.572 29.700 -0.157 0.000 0.750 215 E HN 0.200 nan 8.360 nan 0.000 0.458 216 F N 1.859 121.584 119.950 -0.374 0.000 2.091 216 F HA -0.248 4.280 4.527 0.002 0.000 0.299 216 F C 2.489 178.241 175.800 -0.081 0.000 1.103 216 F CA 2.040 59.834 58.000 -0.343 0.000 1.228 216 F CB -0.162 38.638 39.000 -0.334 0.000 0.984 216 F HN -0.131 nan 8.300 nan 0.000 0.477 217 R N -0.058 120.561 120.500 0.197 0.000 2.080 217 R HA -0.206 4.135 4.340 0.001 0.000 0.236 217 R C 2.250 178.555 176.300 0.009 0.000 1.137 217 R CA 1.920 58.107 56.100 0.145 0.000 0.943 217 R CB -0.378 30.031 30.300 0.182 0.000 0.846 217 R HN 0.289 nan 8.270 nan 0.000 0.431 218 Q N 0.366 120.161 119.800 -0.007 0.000 2.096 218 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 218 Q C 2.107 178.074 176.000 -0.054 0.000 0.982 218 Q CA 1.365 57.156 55.803 -0.020 0.000 0.850 218 Q CB -0.393 28.332 28.738 -0.022 0.000 0.901 218 Q HN 0.314 nan 8.270 nan 0.000 0.422 219 R N -0.055 120.373 120.500 -0.119 0.000 2.092 219 R HA -0.018 4.322 4.340 0.001 0.000 0.231 219 R C 2.331 178.553 176.300 -0.128 0.000 1.119 219 R CA 0.752 56.769 56.100 -0.138 0.000 0.970 219 R CB -0.754 29.418 30.300 -0.213 0.000 0.864 219 R HN 0.179 nan 8.270 nan 0.000 0.440 220 V N 1.591 121.392 119.914 -0.189 0.000 2.302 220 V HA -0.153 3.968 4.120 0.001 0.000 0.243 220 V C 2.245 178.358 176.094 0.032 0.000 1.036 220 V CA 1.421 63.669 62.300 -0.086 0.000 1.020 220 V CB -0.292 31.452 31.823 -0.132 0.000 0.657 220 V HN 0.159 nan 8.190 nan 0.000 0.453 221 K N 0.698 121.123 120.400 0.042 0.000 2.280 221 K HA -0.075 4.246 4.320 0.001 0.000 0.202 221 K C 2.076 178.714 176.600 0.063 0.000 1.047 221 K CA 1.336 57.673 56.287 0.082 0.000 0.942 221 K CB -0.798 31.754 32.500 0.086 0.000 0.739 221 K HN 0.553 nan 8.250 nan 0.000 0.457 222 G N 0.812 109.630 108.800 0.030 0.000 2.448 222 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 222 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 222 G C 1.609 176.528 174.900 0.032 0.000 1.135 222 G CA 0.776 45.890 45.100 0.024 0.000 0.784 222 G HN 0.352 nan 8.290 nan 0.000 0.543 223 A N -0.352 122.491 122.820 0.038 0.000 1.935 223 A HA 0.189 4.509 4.320 0.001 0.000 0.214 223 A C 1.098 178.721 177.584 0.065 0.000 1.178 223 A CA 0.867 52.933 52.037 0.048 0.000 0.640 223 A CB 0.059 19.093 19.000 0.058 0.000 0.825 223 A HN 0.322 nan 8.150 nan 0.000 0.447 224 N N -1.195 117.558 118.700 0.089 0.000 2.699 224 N HA 0.160 4.901 4.740 0.001 0.000 0.271 224 N C -2.784 172.814 175.510 0.147 0.000 1.216 224 N CA -1.272 51.845 53.050 0.111 0.000 0.844 224 N CB 1.567 40.130 38.487 0.127 0.000 1.462 224 N HN -0.125 nan 8.380 nan 0.000 0.555 225 P HA -0.116 nan 4.420 nan 0.000 0.222 225 P C 0.290 177.730 177.300 0.232 0.000 1.142 225 P CA 1.234 64.426 63.100 0.153 0.000 0.788 225 P CB 0.534 32.302 31.700 0.113 0.000 0.767 226 E N -0.377 119.992 120.200 0.281 0.000 2.478 226 E HA 0.182 4.533 4.350 0.001 0.000 0.194 226 E C 0.888 177.879 176.600 0.652 0.000 1.045 226 E CA -0.329 56.347 56.400 0.461 0.000 0.868 226 E CB -0.061 29.903 29.700 0.441 0.000 0.885 226 E HN 0.190 nan 8.360 nan 0.000 0.505 227 A N 1.582 124.665 122.820 0.439 0.000 2.540 227 A HA -0.034 4.287 4.320 0.001 0.000 0.239 227 A C -0.606 177.170 177.584 0.320 0.000 1.061 227 A CA 0.201 52.489 52.037 0.417 0.000 0.758 227 A CB -0.140 19.029 19.000 0.281 0.000 0.991 227 A HN 0.245 nan 8.150 nan 0.000 0.502 228 Y N 2.477 122.837 120.300 0.100 0.000 2.320 228 Y HA 0.604 5.155 4.550 0.001 0.000 0.334 228 Y C -0.443 175.375 175.900 -0.136 0.000 1.055 228 Y CA -1.222 56.622 58.100 -0.427 0.000 1.143 228 Y CB 0.865 39.051 38.460 -0.456 0.000 1.193 228 Y HN 0.513 nan 8.280 nan 0.000 0.477 229 I N 7.850 128.127 120.570 -0.489 0.000 2.439 229 I HA 0.361 4.532 4.170 0.001 0.000 0.283 229 I C -1.235 174.475 176.117 -0.678 0.000 1.023 229 I CA -0.952 60.151 61.300 -0.328 0.000 1.100 229 I CB 1.657 39.706 38.000 0.082 0.000 1.238 229 I HN 0.412 nan 8.210 nan 0.000 0.445 230 V N 5.953 125.356 119.914 -0.851 0.000 2.540 230 V HA 0.835 4.956 4.120 0.001 0.000 0.302 230 V C 0.106 175.655 176.094 -0.908 0.000 1.035 230 V CA -0.081 61.694 62.300 -0.876 0.000 0.873 230 V CB 1.787 33.024 31.823 -0.977 0.000 0.992 230 V HN 0.777 nan 8.190 nan 0.000 0.428 231 G N 3.730 111.872 108.800 -1.097 0.000 2.410 231 G HA2 0.468 4.429 3.960 0.001 0.000 0.330 231 G HA3 0.468 4.429 3.960 0.001 0.000 0.330 231 G C -0.585 173.897 174.900 -0.696 0.000 1.142 231 G CA -0.507 43.817 45.100 -1.294 0.000 0.902 231 G HN 0.869 nan 8.290 nan 0.000 0.491 232 E N 1.489 121.369 120.200 -0.534 0.000 1.941 232 E HA 0.246 4.596 4.350 0.001 0.000 0.275 232 E C -0.599 175.897 176.600 -0.175 0.000 1.113 232 E CA -0.366 55.875 56.400 -0.266 0.000 0.878 232 E CB 0.224 29.872 29.700 -0.085 0.000 1.070 232 E HN 0.101 nan 8.360 nan 0.000 0.399 233 I N 5.144 125.624 120.570 -0.149 0.000 2.468 233 I HA 0.096 4.267 4.170 0.001 0.000 0.285 233 I C -0.248 175.950 176.117 0.135 0.000 1.039 233 I CA -0.669 60.610 61.300 -0.036 0.000 1.074 233 I CB 0.949 38.859 38.000 -0.150 0.000 1.228 233 I HN 0.748 nan 8.210 nan 0.000 0.436 234 W N 3.751 125.078 121.300 0.045 0.000 3.180 234 W HA 0.099 4.760 4.660 0.001 0.000 0.254 234 W C 0.758 177.342 176.519 0.108 0.000 1.318 234 W CA 0.154 57.548 57.345 0.081 0.000 1.608 234 W CB 0.122 29.512 29.460 -0.117 0.000 1.124 234 W HN 0.460 nan 8.180 nan 0.000 0.694 235 E N -1.043 119.332 120.200 0.291 0.000 2.447 235 E HA 0.257 4.608 4.350 0.001 0.000 0.258 235 E C -0.792 175.951 176.600 0.238 0.000 0.916 235 E CA -0.951 55.589 56.400 0.233 0.000 0.846 235 E CB 0.415 30.241 29.700 0.209 0.000 1.517 235 E HN -0.337 nan 8.360 nan 0.000 0.418 236 E N 0.464 120.801 120.200 0.230 0.000 2.493 236 E HA 0.243 4.593 4.350 0.001 0.000 0.255 236 E C -0.515 176.315 176.600 0.382 0.000 0.999 236 E CA 0.337 56.916 56.400 0.297 0.000 0.934 236 E CB 0.438 30.251 29.700 0.189 0.000 0.940 236 E HN 0.474 nan 8.360 nan 0.000 0.473 237 A N 3.703 126.795 122.820 0.454 0.000 2.842 237 A HA 0.149 4.470 4.320 0.001 0.000 0.298 237 A C 0.524 178.396 177.584 0.480 0.000 1.293 237 A CA -0.418 51.925 52.037 0.510 0.000 0.959 237 A CB -0.156 19.059 19.000 0.358 0.000 1.119 237 A HN 0.545 nan 8.150 nan 0.000 0.564 238 D N -0.068 120.621 120.400 0.481 0.000 2.157 238 D HA -0.281 4.360 4.640 0.001 0.000 0.191 238 D C 1.325 177.744 176.300 0.198 0.000 1.004 238 D CA 1.954 56.172 54.000 0.363 0.000 0.854 238 D CB -0.359 40.586 40.800 0.242 0.000 0.936 238 D HN 0.573 nan 8.370 nan 0.000 0.446 239 F N -0.026 119.913 119.950 -0.019 0.000 2.154 239 F HA -0.177 4.351 4.527 0.002 0.000 0.301 239 F C 1.528 177.121 175.800 -0.345 0.000 1.087 239 F CA 1.261 59.090 58.000 -0.286 0.000 1.274 239 F CB -0.165 38.459 39.000 -0.627 0.000 1.009 239 F HN 0.097 nan 8.300 nan 0.000 0.485 240 W N 0.069 121.255 121.300 -0.189 0.000 3.256 240 W HA 0.215 4.876 4.660 0.001 0.000 0.269 240 W C 0.462 176.763 176.519 -0.363 0.000 1.310 240 W CA 0.201 57.282 57.345 -0.441 0.000 1.673 240 W CB -0.322 28.988 29.460 -0.250 0.000 1.115 240 W HN 0.024 nan 8.180 nan 0.000 0.686 241 L N 0.857 122.064 121.223 -0.026 0.000 3.141 241 L HA 0.168 4.509 4.340 0.001 0.000 0.267 241 L C 1.566 178.421 176.870 -0.025 0.000 1.281 241 L CA -0.041 54.780 54.840 -0.032 0.000 1.037 241 L CB 0.075 42.088 42.059 -0.076 0.000 1.407 241 L HN -0.277 nan 8.230 nan 0.000 0.566 242 Q N 0.446 120.190 119.800 -0.095 0.000 2.425 242 Q HA 0.179 4.520 4.340 0.001 0.000 0.204 242 Q C 1.623 177.595 176.000 -0.046 0.000 0.933 242 Q CA 0.843 56.608 55.803 -0.065 0.000 0.939 242 Q CB 0.985 29.655 28.738 -0.114 0.000 1.044 242 Q HN 0.633 nan 8.270 nan 0.000 0.513 243 G N 1.216 109.985 108.800 -0.051 0.000 2.284 243 G HA2 -0.185 3.776 3.960 0.001 0.000 0.201 243 G HA3 -0.185 3.776 3.960 0.001 0.000 0.201 243 G C -0.021 174.865 174.900 -0.023 0.000 0.998 243 G CA 0.164 45.255 45.100 -0.017 0.000 0.651 243 G HN 0.457 nan 8.290 nan 0.000 0.489 247 D N 0.404 120.839 120.400 0.059 0.000 2.327 247 D HA 0.503 5.144 4.640 0.001 0.000 0.205 247 D C 0.481 176.779 176.300 -0.004 0.000 0.989 247 D CA 1.251 55.257 54.000 0.011 0.000 0.873 247 D CB 0.950 41.694 40.800 -0.093 0.000 0.955 247 D HN 0.612 nan 8.370 nan 0.000 0.515 248 A N -0.280 122.483 122.820 -0.095 0.000 2.483 248 A HA 0.545 4.866 4.320 0.001 0.000 0.294 248 A C -1.163 176.273 177.584 -0.246 0.000 1.077 248 A CA -0.434 51.515 52.037 -0.147 0.000 0.633 248 A CB 0.734 19.686 19.000 -0.080 0.000 1.318 248 A HN 0.003 nan 8.150 nan 0.000 0.455 252 Y N 0.248 120.422 120.300 -0.210 0.000 2.274 252 Y HA 0.020 4.570 4.550 0.001 0.000 0.290 252 Y C -0.623 175.247 175.900 -0.049 0.000 1.145 252 Y CA 1.276 59.261 58.100 -0.192 0.000 1.203 252 Y CB -0.902 37.368 38.460 -0.317 0.000 0.984 252 Y HN 0.366 nan 8.280 nan 0.000 0.533 253 P HA -0.185 nan 4.420 nan 0.000 0.216 253 P C 1.793 179.118 177.300 0.042 0.000 1.153 253 P CA 1.175 64.327 63.100 0.087 0.000 0.848 253 P CB -0.022 31.723 31.700 0.074 0.000 0.787 254 L N -0.390 120.835 121.223 0.004 0.000 2.093 254 L HA -0.029 4.312 4.340 0.001 0.000 0.208 254 L C 2.133 179.039 176.870 0.060 0.000 1.085 254 L CA 1.826 56.664 54.840 -0.003 0.000 0.755 254 L CB -1.604 40.445 42.059 -0.016 0.000 0.904 254 L HN -0.136 nan 8.230 nan 0.000 0.435 255 A N -0.148 122.695 122.820 0.038 0.000 1.883 255 A HA -0.227 4.094 4.320 0.001 0.000 0.217 255 A C 2.413 180.062 177.584 0.108 0.000 1.186 255 A CA 1.838 53.912 52.037 0.062 0.000 0.624 255 A CB -0.548 18.481 19.000 0.048 0.000 0.822 255 A HN 0.508 nan 8.150 nan 0.000 0.444 256 R N -0.557 120.016 120.500 0.122 0.000 2.091 256 R HA -0.126 4.215 4.340 0.001 0.000 0.238 256 R C 2.503 178.885 176.300 0.136 0.000 1.136 256 R CA 1.290 57.463 56.100 0.122 0.000 0.959 256 R CB -0.534 29.837 30.300 0.119 0.000 0.856 256 R HN 0.529 nan 8.270 nan 0.000 0.437 257 A N 0.739 123.659 122.820 0.167 0.000 1.877 257 A HA -0.118 4.203 4.320 0.001 0.000 0.216 257 A C 2.392 180.191 177.584 0.358 0.000 1.186 257 A CA 1.490 53.704 52.037 0.294 0.000 0.620 257 A CB -0.580 18.577 19.000 0.262 0.000 0.822 257 A HN 0.122 nan 8.150 nan 0.000 0.443 258 V N 0.135 120.240 119.914 0.317 0.000 2.407 258 V HA -0.235 3.885 4.120 0.001 0.000 0.248 258 V C 2.541 178.660 176.094 0.042 0.000 1.055 258 V CA 1.876 64.263 62.300 0.146 0.000 1.049 258 V CB -0.768 31.168 31.823 0.190 0.000 0.662 258 V HN 0.549 nan 8.190 nan 0.000 0.455 259 L N 0.341 121.607 121.223 0.071 0.000 2.093 259 L HA -0.032 4.309 4.340 0.001 0.000 0.208 259 L C 2.625 179.511 176.870 0.025 0.000 1.085 259 L CA 1.627 56.490 54.840 0.039 0.000 0.755 259 L CB -1.068 41.022 42.059 0.053 0.000 0.904 259 L HN 0.454 nan 8.230 nan 0.000 0.435 260 G N -0.471 108.365 108.800 0.061 0.000 2.408 260 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 260 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 260 G C 1.449 176.386 174.900 0.062 0.000 1.150 260 G CA 0.345 45.484 45.100 0.066 0.000 0.776 260 G HN 0.245 nan 8.290 nan 0.000 0.542 261 F N 1.271 121.107 119.950 -0.189 0.000 2.098 261 F HA 0.038 4.566 4.527 0.001 0.000 0.294 261 F C 2.560 178.234 175.800 -0.210 0.000 1.107 261 F CA 1.036 58.842 58.000 -0.323 0.000 1.234 261 F CB -0.333 38.089 39.000 -0.963 0.000 1.002 261 F HN -0.007 nan 8.300 nan 0.000 0.472 262 V N 0.091 119.798 119.914 -0.345 0.000 2.788 262 V HA -0.028 4.093 4.120 0.001 0.000 0.251 262 V C 2.659 178.671 176.094 -0.137 0.000 1.068 262 V CA 1.474 63.596 62.300 -0.297 0.000 1.090 262 V CB -1.297 30.445 31.823 -0.135 0.000 0.710 262 V HN 0.508 nan 8.190 nan 0.000 0.467 263 G N -0.242 108.500 108.800 -0.097 0.000 2.408 263 G HA2 0.228 4.188 3.960 0.001 0.000 0.217 263 G HA3 0.228 4.188 3.960 0.001 0.000 0.217 263 G C 1.088 175.956 174.900 -0.053 0.000 1.150 263 G CA 0.910 45.970 45.100 -0.066 0.000 0.776 263 G HN 0.863 nan 8.290 nan 0.000 0.542 264 G N 1.017 109.784 108.800 -0.054 0.000 2.622 264 G HA2 -0.315 3.646 3.960 0.001 0.000 0.272 264 G HA3 -0.315 3.646 3.960 0.001 0.000 0.272 264 G C 1.051 175.941 174.900 -0.016 0.000 1.308 264 G CA 0.702 45.781 45.100 -0.034 0.000 0.919 264 G HN 0.709 nan 8.290 nan 0.000 0.565 265 E N 0.038 120.233 120.200 -0.009 0.000 2.331 265 E HA -0.014 4.336 4.350 0.001 0.000 0.199 265 E C 2.273 178.867 176.600 -0.011 0.000 1.008 265 E CA 2.084 58.480 56.400 -0.005 0.000 0.843 265 E CB -0.752 28.947 29.700 -0.001 0.000 0.761 265 E HN 1.445 nan 8.360 nan 0.000 0.507 266 A N 0.961 123.768 122.820 -0.021 0.000 2.169 266 A HA 0.154 4.475 4.320 0.001 0.000 0.212 266 A C 1.175 178.737 177.584 -0.037 0.000 1.153 266 A CA -0.266 51.750 52.037 -0.035 0.000 0.756 266 A CB -0.317 18.647 19.000 -0.059 0.000 0.813 266 A HN 0.261 nan 8.150 nan 0.000 0.471 267 L N 0.836 122.041 121.223 -0.030 0.000 2.499 267 L HA 0.076 4.417 4.340 0.001 0.000 0.273 267 L C -0.000 176.860 176.870 -0.016 0.000 1.195 267 L CA 0.213 55.039 54.840 -0.023 0.000 0.882 267 L CB 0.251 42.302 42.059 -0.012 0.000 1.133 267 L HN 0.179 nan 8.230 nan 0.000 0.483 268 D N 4.874 125.265 120.400 -0.016 0.000 2.517 268 D HA 0.068 4.709 4.640 0.001 0.000 0.220 268 D C 1.143 177.439 176.300 -0.006 0.000 1.158 268 D CA 0.005 53.997 54.000 -0.013 0.000 0.992 268 D CB 0.336 41.127 40.800 -0.015 0.000 1.058 268 D HN 0.596 nan 8.370 nan 0.000 0.516 269 R N 1.267 121.765 120.500 -0.004 0.000 2.103 269 R HA -0.142 4.199 4.340 0.001 0.000 0.242 269 R C 1.080 177.378 176.300 -0.003 0.000 1.142 269 R CA 1.187 57.287 56.100 0.000 0.000 0.960 269 R CB 0.102 30.403 30.300 0.001 0.000 0.858 269 R HN 0.359 nan 8.270 nan 0.000 0.439 270 D N 0.626 121.022 120.400 -0.008 0.000 2.219 270 D HA -0.123 4.517 4.640 0.001 0.000 0.205 270 D C 1.818 178.110 176.300 -0.013 0.000 0.970 270 D CA 0.713 54.707 54.000 -0.011 0.000 0.851 270 D CB -0.060 40.733 40.800 -0.012 0.000 0.943 270 D HN 0.080 nan 8.370 nan 0.000 0.488 271 L N 1.107 122.323 121.223 -0.011 0.000 2.044 271 L HA 0.043 4.384 4.340 0.001 0.000 0.205 271 L C 2.202 179.067 176.870 -0.009 0.000 1.075 271 L CA 1.461 56.294 54.840 -0.012 0.000 0.747 271 L CB -0.875 41.178 42.059 -0.011 0.000 0.903 271 L HN -0.051 nan 8.230 nan 0.000 0.435 272 A N -0.271 122.548 122.820 -0.002 0.000 1.908 272 A HA -0.148 4.172 4.320 0.001 0.000 0.218 272 A C 2.367 179.950 177.584 -0.001 0.000 1.181 272 A CA 1.805 53.847 52.037 0.008 0.000 0.627 272 A CB -1.226 17.786 19.000 0.021 0.000 0.818 272 A HN 0.551 nan 8.150 nan 0.000 0.445 273 A N -1.000 121.815 122.820 -0.009 0.000 2.178 273 A HA -0.133 4.188 4.320 0.001 0.000 0.218 273 A C 1.882 179.445 177.584 -0.035 0.000 1.157 273 A CA 1.330 53.355 52.037 -0.021 0.000 0.689 273 A CB -0.467 18.521 19.000 -0.020 0.000 0.787 273 A HN 0.689 nan 8.150 nan 0.000 0.465 274 Q N -0.291 119.490 119.800 -0.031 0.000 2.444 274 Q HA 0.026 4.367 4.340 0.001 0.000 0.206 274 Q C 0.649 176.620 176.000 -0.049 0.000 0.948 274 Q CA 0.938 56.719 55.803 -0.037 0.000 0.946 274 Q CB 0.071 28.791 28.738 -0.029 0.000 1.027 274 Q HN 0.822 nan 8.270 nan 0.000 0.513 275 T N -6.536 107.984 114.554 -0.057 0.000 2.716 275 T HA 0.431 4.781 4.350 0.001 0.000 0.286 275 T C 1.089 175.701 174.700 -0.146 0.000 1.052 275 T CA -0.287 61.758 62.100 -0.092 0.000 1.024 275 T CB 1.024 69.860 68.868 -0.054 0.000 1.349 275 T HN -0.030 nan 8.240 nan 0.000 0.525 276 G N -0.138 108.468 108.800 -0.324 0.000 2.501 276 G HA2 -0.039 3.922 3.960 0.001 0.000 0.220 276 G HA3 -0.039 3.922 3.960 0.001 0.000 0.220 276 G C 1.289 176.147 174.900 -0.071 0.000 1.114 276 G CA 0.598 45.360 45.100 -0.563 0.000 0.757 276 G HN 0.677 nan 8.290 nan 0.000 0.559 277 L N 0.083 121.369 121.223 0.106 0.000 2.083 277 L HA 0.136 4.477 4.340 0.001 0.000 0.209 277 L C 1.854 178.772 176.870 0.080 0.000 1.083 277 L CA 0.728 55.662 54.840 0.157 0.000 0.752 277 L CB -0.874 41.262 42.059 0.128 0.000 0.899 277 L HN 0.488 nan 8.230 nan 0.000 0.433 278 G N -0.139 108.672 108.800 0.019 0.000 2.760 278 G HA2 -0.328 3.633 3.960 0.001 0.000 0.246 278 G HA3 -0.328 3.633 3.960 0.001 0.000 0.246 278 G C -0.199 174.708 174.900 0.012 0.000 1.359 278 G CA -0.214 44.887 45.100 0.002 0.000 0.861 278 G HN 0.274 nan 8.290 nan 0.000 0.541 279 R N 0.149 120.652 120.500 0.005 0.000 3.268 279 R HA 0.390 4.730 4.340 0.001 0.000 0.217 279 R C 1.034 177.346 176.300 0.020 0.000 1.568 279 R CA -0.395 55.709 56.100 0.007 0.000 1.322 279 R CB -0.807 29.492 30.300 -0.002 0.000 1.280 279 R HN 0.427 nan 8.270 nan 0.000 0.667 280 I N 4.202 124.791 120.570 0.031 0.000 2.821 280 I HA -0.153 4.018 4.170 0.001 0.000 0.294 280 I C 0.922 177.061 176.117 0.036 0.000 1.210 280 I CA 0.801 62.127 61.300 0.043 0.000 1.430 280 I CB 0.199 38.230 38.000 0.051 0.000 1.356 280 I HN 0.540 nan 8.210 nan 0.000 0.563 281 E N 7.755 127.980 120.200 0.042 0.000 2.266 281 E HA 0.465 4.816 4.350 0.001 0.000 0.277 281 E C -2.621 174.009 176.600 0.050 0.000 1.018 281 E CA -2.301 54.122 56.400 0.038 0.000 0.840 281 E CB 0.608 30.330 29.700 0.036 0.000 1.082 281 E HN 0.253 nan 8.360 nan 0.000 0.395 282 P HA 0.112 nan 4.420 nan 0.000 0.269 282 P C -0.878 176.468 177.300 0.076 0.000 1.215 282 P CA 0.035 63.165 63.100 0.049 0.000 0.780 282 P CB 0.479 32.197 31.700 0.030 0.000 0.898 283 L N 1.804 123.096 121.223 0.117 0.000 2.436 283 L HA 0.328 4.669 4.340 0.001 0.000 0.268 283 L C 0.141 177.155 176.870 0.240 0.000 0.974 283 L CA -1.024 53.913 54.840 0.162 0.000 0.826 283 L CB 2.017 44.200 42.059 0.206 0.000 1.291 283 L HN 0.264 nan 8.230 nan 0.000 0.406 284 Q N 0.823 120.718 119.800 0.158 0.000 2.318 284 Q HA 0.330 4.671 4.340 0.001 0.000 0.222 284 Q C 0.982 177.079 176.000 0.160 0.000 1.003 284 Q CA 0.204 56.104 55.803 0.160 0.000 0.936 284 Q CB 1.146 29.910 28.738 0.044 0.000 1.204 284 Q HN 0.817 nan 8.270 nan 0.000 0.524 285 A N 0.933 123.855 122.820 0.172 0.000 1.869 285 A HA -0.235 4.086 4.320 0.001 0.000 0.218 285 A C 1.851 179.329 177.584 -0.177 0.000 1.203 285 A CA 2.035 54.045 52.037 -0.044 0.000 0.638 285 A CB -0.789 18.239 19.000 0.047 0.000 0.831 285 A HN 0.586 nan 8.150 nan 0.000 0.450 286 L N -0.374 120.738 121.223 -0.184 0.000 2.042 286 L HA -0.087 4.254 4.340 0.001 0.000 0.210 286 L C 2.734 179.342 176.870 -0.438 0.000 1.076 286 L CA 2.340 56.980 54.840 -0.334 0.000 0.749 286 L CB -0.973 40.889 42.059 -0.327 0.000 0.893 286 L HN 0.390 nan 8.230 nan 0.000 0.432 287 A N -1.262 121.427 122.820 -0.219 0.000 1.933 287 A HA -0.261 4.060 4.320 0.001 0.000 0.218 287 A C 2.244 179.793 177.584 -0.059 0.000 1.175 287 A CA 1.764 53.743 52.037 -0.096 0.000 0.628 287 A CB -1.083 17.922 19.000 0.008 0.000 0.814 287 A HN 0.544 nan 8.150 nan 0.000 0.444 288 F N 0.653 120.445 119.950 -0.263 0.000 2.146 288 F HA -0.065 4.463 4.527 0.001 0.000 0.298 288 F C 2.592 178.200 175.800 -0.319 0.000 1.096 288 F CA 1.603 59.408 58.000 -0.327 0.000 1.275 288 F CB -0.581 38.015 39.000 -0.673 0.000 1.008 288 F HN 0.211 nan 8.300 nan 0.000 0.480 289 S N -0.884 114.551 115.700 -0.441 0.000 2.399 289 S HA -0.217 4.254 4.470 0.001 0.000 0.231 289 S C 2.013 176.455 174.600 -0.264 0.000 1.022 289 S CA 1.527 59.493 58.200 -0.389 0.000 0.983 289 S CB -0.728 62.393 63.200 -0.131 0.000 0.803 289 S HN 0.674 nan 8.310 nan 0.000 0.480 290 H N 0.072 118.995 119.070 -0.246 0.000 2.389 290 H HA 0.056 4.613 4.556 0.001 0.000 0.299 290 H C 2.504 177.660 175.328 -0.286 0.000 1.081 290 H CA 1.019 56.945 56.048 -0.204 0.000 1.345 290 H CB 0.157 29.838 29.762 -0.134 0.000 1.393 290 H HN 0.193 nan 8.280 nan 0.000 0.520 291 R N 0.720 121.090 120.500 -0.216 0.000 2.075 291 R HA -0.089 4.252 4.340 0.001 0.000 0.232 291 R C 2.425 178.400 176.300 -0.542 0.000 1.126 291 R CA 0.707 56.625 56.100 -0.304 0.000 0.963 291 R CB -0.643 29.509 30.300 -0.246 0.000 0.858 291 R HN 0.376 nan 8.270 nan 0.000 0.435 292 L N 0.573 121.304 121.223 -0.820 0.000 2.046 292 L HA -0.149 4.191 4.340 0.001 0.000 0.208 292 L C 2.260 178.454 176.870 -1.126 0.000 1.077 292 L CA 1.418 55.474 54.840 -1.307 0.000 0.747 292 L CB -0.535 40.638 42.059 -1.477 0.000 0.896 292 L HN 0.200 nan 8.230 nan 0.000 0.432 293 E N 0.155 120.024 120.200 -0.551 0.000 2.077 293 E HA -0.269 4.082 4.350 0.001 0.000 0.193 293 E C 1.758 178.214 176.600 -0.240 0.000 0.989 293 E CA 1.580 57.852 56.400 -0.213 0.000 0.800 293 E CB -0.060 29.616 29.700 -0.041 0.000 0.746 293 E HN 0.417 nan 8.360 nan 0.000 0.452 294 D N 0.453 120.673 120.400 -0.300 0.000 2.097 294 D HA -0.124 4.517 4.640 0.001 0.000 0.197 294 D C 1.835 177.933 176.300 -0.336 0.000 0.984 294 D CA 0.945 54.785 54.000 -0.268 0.000 0.826 294 D CB -0.026 40.632 40.800 -0.237 0.000 0.973 294 D HN 0.093 nan 8.370 nan 0.000 0.460 295 L N -0.777 120.170 121.223 -0.460 0.000 2.201 295 L HA -0.058 4.283 4.340 0.001 0.000 0.212 295 L C 1.486 178.214 176.870 -0.237 0.000 1.105 295 L CA 0.431 55.016 54.840 -0.424 0.000 0.775 295 L CB -0.301 41.455 42.059 -0.506 0.000 0.913 295 L HN 0.059 nan 8.230 nan 0.000 0.440 296 F N -0.834 119.024 119.950 -0.154 0.000 2.765 296 F HA 0.215 4.743 4.527 0.001 0.000 0.302 296 F C 1.983 177.749 175.800 -0.056 0.000 1.111 296 F CA 0.184 58.134 58.000 -0.084 0.000 1.359 296 F CB -0.590 38.338 39.000 -0.120 0.000 1.097 296 F HN -0.073 nan 8.300 nan 0.000 0.577 297 G N 0.043 108.857 108.800 0.024 0.000 2.759 297 G HA2 0.016 3.977 3.960 0.001 0.000 0.208 297 G HA3 0.016 3.977 3.960 0.001 0.000 0.208 297 G C 1.648 176.494 174.900 -0.089 0.000 1.076 297 G CA -0.087 45.009 45.100 -0.006 0.000 0.789 297 G HN 0.316 nan 8.290 nan 0.000 0.546 298 R N -0.929 119.424 120.500 -0.244 0.000 2.236 298 R HA 0.176 4.516 4.340 0.001 0.000 0.208 298 R C -0.038 176.061 176.300 -0.335 0.000 1.036 298 R CA 0.351 56.242 56.100 -0.350 0.000 1.001 298 R CB -0.323 29.660 30.300 -0.530 0.000 0.896 298 R HN 0.299 nan 8.270 nan 0.000 0.464 299 Y N 1.027 121.349 120.300 0.037 0.000 2.602 299 Y HA 0.442 4.993 4.550 0.001 0.000 0.330 299 Y C 0.312 176.241 175.900 0.047 0.000 1.114 299 Y CA -1.806 56.321 58.100 0.045 0.000 1.182 299 Y CB 0.677 39.171 38.460 0.057 0.000 1.305 299 Y HN -0.259 nan 8.280 nan 0.000 0.502 300 R N 2.659 123.295 120.500 0.227 0.000 2.643 300 R HA 0.075 4.416 4.340 0.001 0.000 0.270 300 R C -1.592 174.789 176.300 0.136 0.000 1.061 300 R CA -1.068 55.113 56.100 0.136 0.000 1.107 300 R CB 0.011 30.373 30.300 0.103 0.000 0.999 300 R HN 0.430 nan 8.270 nan 0.000 0.460 301 P HA -0.267 nan 4.420 nan 0.000 0.217 301 P C 0.342 177.687 177.300 0.074 0.000 1.151 301 P CA 1.558 64.709 63.100 0.084 0.000 0.849 301 P CB 0.190 31.927 31.700 0.060 0.000 0.787 302 E N -0.178 120.064 120.200 0.070 0.000 2.274 302 E HA -0.044 4.307 4.350 0.001 0.000 0.194 302 E C 2.059 178.710 176.600 0.084 0.000 0.996 302 E CA 0.700 57.137 56.400 0.062 0.000 0.840 302 E CB -1.303 28.432 29.700 0.059 0.000 0.772 302 E HN 0.176 nan 8.360 nan 0.000 0.491 303 V N 1.338 121.309 119.914 0.096 0.000 2.446 303 V HA -0.142 3.979 4.120 0.001 0.000 0.244 303 V C 2.572 178.717 176.094 0.086 0.000 1.039 303 V CA 0.935 63.282 62.300 0.078 0.000 1.045 303 V CB -0.138 31.715 31.823 0.051 0.000 0.681 303 V HN 0.067 nan 8.190 nan 0.000 0.459 304 V N 0.445 120.446 119.914 0.146 0.000 2.332 304 V HA -0.251 3.870 4.120 0.001 0.000 0.248 304 V C 2.456 178.600 176.094 0.084 0.000 1.055 304 V CA 1.991 64.397 62.300 0.177 0.000 1.038 304 V CB -0.823 31.123 31.823 0.205 0.000 0.651 304 V HN 0.498 nan 8.190 nan 0.000 0.450 305 R N 0.073 120.602 120.500 0.048 0.000 2.276 305 R HA 0.128 4.469 4.340 0.001 0.000 0.203 305 R C 1.745 178.058 176.300 0.022 0.000 1.017 305 R CA 0.936 57.043 56.100 0.011 0.000 1.010 305 R CB -0.191 30.109 30.300 -0.000 0.000 0.900 305 R HN 0.510 nan 8.270 nan 0.000 0.469 306 A N 0.227 123.082 122.820 0.058 0.000 2.431 306 A HA 0.113 4.434 4.320 0.001 0.000 0.239 306 A C 0.573 178.202 177.584 0.075 0.000 1.230 306 A CA -0.319 51.774 52.037 0.093 0.000 0.928 306 A CB 0.341 19.488 19.000 0.244 0.000 1.006 306 A HN 0.036 nan 8.150 nan 0.000 0.520 310 L N -1.865 119.259 121.223 -0.166 0.000 2.335 310 L HA 0.714 5.054 4.340 0.001 0.000 0.268 310 L C -0.076 176.738 176.870 -0.093 0.000 1.016 310 L CA -0.858 53.911 54.840 -0.118 0.000 0.805 310 L CB 1.386 43.337 42.059 -0.180 0.000 1.311 310 L HN 0.215 nan 8.230 nan 0.000 0.456 311 L N -0.450 120.757 121.223 -0.027 0.000 2.600 311 L HA 0.249 4.590 4.340 0.001 0.000 0.213 311 L C 0.770 177.654 176.870 0.022 0.000 1.045 311 L CA 0.749 55.598 54.840 0.015 0.000 0.863 311 L CB 0.802 42.890 42.059 0.050 0.000 1.189 311 L HN 0.979 nan 8.230 nan 0.000 0.484 312 T N -2.875 111.685 114.554 0.010 0.000 2.838 312 T HA 0.743 5.093 4.350 0.001 0.000 0.292 312 T C -0.409 174.215 174.700 -0.127 0.000 1.113 312 T CA -0.121 61.968 62.100 -0.019 0.000 1.008 312 T CB 2.309 71.174 68.868 -0.005 0.000 1.259 312 T HN 0.145 nan 8.240 nan 0.000 0.520 313 S N -0.812 114.685 115.700 -0.338 0.000 2.724 313 S HA 0.325 4.796 4.470 0.001 0.000 0.278 313 S C 0.728 174.751 174.600 -0.961 0.000 1.190 313 S CA -0.249 57.578 58.200 -0.621 0.000 0.860 313 S CB 0.203 63.341 63.200 -0.103 0.000 1.206 313 S HN 1.207 nan 8.310 nan 0.000 0.507 314 H N 0.182 118.829 119.070 -0.705 0.000 2.545 314 H HA 0.175 4.732 4.556 0.001 0.000 0.282 314 H C -0.101 175.158 175.328 -0.114 0.000 1.020 314 H CA 1.225 57.107 56.048 -0.276 0.000 1.243 314 H CB -0.512 29.363 29.762 0.188 0.000 1.377 314 H HN 0.550 nan 8.280 nan 0.000 0.581 315 D N 1.218 121.274 120.400 -0.575 0.000 2.398 315 D HA 0.054 4.695 4.640 0.001 0.000 0.210 315 D C 0.748 176.999 176.300 -0.082 0.000 1.094 315 D CA 0.575 54.395 54.000 -0.301 0.000 0.839 315 D CB 0.888 41.593 40.800 -0.157 0.000 0.963 315 D HN 0.566 nan 8.370 nan 0.000 0.506 316 T N -2.430 112.064 114.554 -0.101 0.000 2.907 316 T HA 0.627 4.978 4.350 0.001 0.000 0.290 316 T C -2.989 171.676 174.700 -0.058 0.000 1.066 316 T CA -2.247 59.838 62.100 -0.025 0.000 1.012 316 T CB 2.482 71.373 68.868 0.038 0.000 1.184 316 T HN -0.357 nan 8.240 nan 0.000 0.522 317 P HA 0.368 nan 4.420 nan 0.000 0.274 317 P C -0.195 177.098 177.300 -0.012 0.000 1.246 317 P CA -0.700 62.388 63.100 -0.020 0.000 0.795 317 P CB 0.466 32.159 31.700 -0.011 0.000 1.006 318 R N 0.846 121.345 120.500 -0.002 0.000 2.641 318 R HA 0.105 4.445 4.340 0.001 0.000 0.269 318 R C 1.356 177.662 176.300 0.010 0.000 1.074 318 R CA -0.599 55.511 56.100 0.017 0.000 1.133 318 R CB -0.065 30.239 30.300 0.008 0.000 1.029 318 R HN 0.412 nan 8.270 nan 0.000 0.488 319 L N 2.677 123.912 121.223 0.021 0.000 2.013 319 L HA -0.217 4.123 4.340 0.001 0.000 0.212 319 L C 1.829 178.695 176.870 -0.007 0.000 1.073 319 L CA 1.786 56.633 54.840 0.013 0.000 0.753 319 L CB -0.554 41.522 42.059 0.027 0.000 0.890 319 L HN 0.582 nan 8.230 nan 0.000 0.432 320 L N -0.908 120.308 121.223 -0.012 0.000 2.083 320 L HA -0.167 4.174 4.340 0.001 0.000 0.209 320 L C 2.572 179.426 176.870 -0.027 0.000 1.083 320 L CA 1.827 56.652 54.840 -0.024 0.000 0.752 320 L CB -0.991 41.055 42.059 -0.022 0.000 0.899 320 L HN 0.329 nan 8.230 nan 0.000 0.433 321 S N -1.017 114.671 115.700 -0.020 0.000 2.368 321 S HA -0.030 4.441 4.470 0.001 0.000 0.224 321 S C 0.958 175.545 174.600 -0.021 0.000 1.029 321 S CA 0.007 58.194 58.200 -0.020 0.000 0.988 321 S CB -0.173 63.017 63.200 -0.017 0.000 0.838 321 S HN 0.117 nan 8.310 nan 0.000 0.462 325 G N 0.595 109.367 108.800 -0.046 0.000 2.189 325 G HA2 -0.354 3.606 3.960 0.001 0.000 0.267 325 G HA3 -0.354 3.606 3.960 0.001 0.000 0.267 325 G C 0.133 174.995 174.900 -0.063 0.000 0.975 325 G CA 0.797 45.870 45.100 -0.044 0.000 0.644 325 G HN 0.383 nan 8.290 nan 0.000 0.537 326 S N 0.161 115.805 115.700 -0.093 0.000 2.498 326 S HA 0.414 4.885 4.470 0.001 0.000 0.314 326 S C 1.848 176.363 174.600 -0.141 0.000 1.141 326 S CA 0.191 58.306 58.200 -0.141 0.000 1.087 326 S CB 0.716 63.785 63.200 -0.218 0.000 1.178 326 S HN 0.597 nan 8.310 nan 0.000 0.533 327 V N 5.701 125.554 119.914 -0.101 0.000 2.332 327 V HA -0.212 3.908 4.120 0.001 0.000 0.248 327 V C 2.459 178.495 176.094 -0.095 0.000 1.055 327 V CA 2.369 64.626 62.300 -0.073 0.000 1.038 327 V CB -0.736 31.065 31.823 -0.036 0.000 0.651 327 V HN 0.960 nan 8.190 nan 0.000 0.450 328 E N 0.382 120.493 120.200 -0.148 0.000 2.110 328 E HA -0.243 4.107 4.350 0.001 0.000 0.193 328 E C 2.290 178.752 176.600 -0.231 0.000 0.988 328 E CA 1.221 57.530 56.400 -0.151 0.000 0.804 328 E CB -0.378 29.230 29.700 -0.154 0.000 0.745 328 E HN 0.522 nan 8.360 nan 0.000 0.458 329 R N 0.710 120.958 120.500 -0.422 0.000 2.075 329 R HA -0.001 4.339 4.340 0.001 0.000 0.232 329 R C 2.543 178.766 176.300 -0.127 0.000 1.126 329 R CA 1.164 57.052 56.100 -0.353 0.000 0.963 329 R CB -0.363 29.689 30.300 -0.414 0.000 0.858 329 R HN 0.266 nan 8.270 nan 0.000 0.435 330 A N 1.255 124.014 122.820 -0.102 0.000 1.902 330 A HA -0.195 4.125 4.320 0.001 0.000 0.217 330 A C 2.139 179.727 177.584 0.006 0.000 1.181 330 A CA 1.361 53.378 52.037 -0.034 0.000 0.623 330 A CB -0.461 18.520 19.000 -0.030 0.000 0.818 330 A HN 0.227 nan 8.150 nan 0.000 0.443 331 R N -0.969 119.531 120.500 0.001 0.000 2.081 331 R HA -0.115 4.226 4.340 0.001 0.000 0.235 331 R C 2.013 178.353 176.300 0.066 0.000 1.131 331 R CA 1.637 57.756 56.100 0.032 0.000 0.960 331 R CB -0.376 29.939 30.300 0.025 0.000 0.856 331 R HN 0.414 nan 8.270 nan 0.000 0.436 332 L N 0.664 121.931 121.223 0.074 0.000 2.056 332 L HA -0.016 4.325 4.340 0.001 0.000 0.207 332 L C 2.279 179.227 176.870 0.129 0.000 1.078 332 L CA 2.048 56.961 54.840 0.122 0.000 0.749 332 L CB -0.659 41.497 42.059 0.162 0.000 0.901 332 L HN 0.264 nan 8.230 nan 0.000 0.433 333 A N -0.710 122.164 122.820 0.091 0.000 1.902 333 A HA -0.177 4.143 4.320 0.001 0.000 0.217 333 A C 2.268 179.935 177.584 0.139 0.000 1.181 333 A CA 1.993 54.090 52.037 0.100 0.000 0.623 333 A CB -0.832 18.202 19.000 0.056 0.000 0.818 333 A HN 0.474 nan 8.150 nan 0.000 0.443 334 L N -0.961 120.344 121.223 0.137 0.000 2.056 334 L HA -0.150 4.191 4.340 0.001 0.000 0.207 334 L C 3.113 180.154 176.870 0.285 0.000 1.078 334 L CA 0.951 55.906 54.840 0.192 0.000 0.749 334 L CB -0.529 41.627 42.059 0.161 0.000 0.901 334 L HN 0.437 nan 8.230 nan 0.000 0.433 335 A N -0.026 122.919 122.820 0.209 0.000 1.902 335 A HA -0.236 4.084 4.320 0.001 0.000 0.217 335 A C 2.191 179.957 177.584 0.302 0.000 1.181 335 A CA 1.598 53.764 52.037 0.215 0.000 0.623 335 A CB -0.747 18.332 19.000 0.133 0.000 0.818 335 A HN 0.307 nan 8.150 nan 0.000 0.443 336 L N -0.060 121.332 121.223 0.283 0.000 2.127 336 L HA -0.137 4.204 4.340 0.001 0.000 0.211 336 L C 2.246 179.297 176.870 0.301 0.000 1.089 336 L CA 1.558 56.601 54.840 0.337 0.000 0.757 336 L CB -0.563 41.705 42.059 0.349 0.000 0.899 336 L HN 0.432 nan 8.230 nan 0.000 0.434 337 L N -1.955 119.399 121.223 0.218 0.000 2.127 337 L HA -0.230 4.111 4.340 0.001 0.000 0.211 337 L C 2.154 178.987 176.870 -0.062 0.000 1.089 337 L CA 1.201 56.071 54.840 0.050 0.000 0.757 337 L CB -0.576 41.430 42.059 -0.088 0.000 0.899 337 L HN 0.192 nan 8.230 nan 0.000 0.434 338 F N -0.639 119.341 119.950 0.050 0.000 2.748 338 F HA -0.032 4.495 4.527 0.001 0.000 0.299 338 F C 1.730 177.571 175.800 0.068 0.000 1.154 338 F CA 0.600 58.609 58.000 0.014 0.000 1.446 338 F CB -0.029 38.941 39.000 -0.050 0.000 1.112 338 F HN -0.015 nan 8.300 nan 0.000 0.584 339 L N -0.189 121.203 121.223 0.281 0.000 2.728 339 L HA 0.256 4.597 4.340 0.001 0.000 0.238 339 L C -0.085 176.988 176.870 0.339 0.000 1.143 339 L CA 0.072 55.102 54.840 0.317 0.000 0.937 339 L CB 0.010 42.323 42.059 0.423 0.000 1.225 339 L HN -0.012 nan 8.230 nan 0.000 0.507 340 L N 0.576 121.902 121.223 0.173 0.000 2.322 340 L HA 0.521 4.861 4.340 0.001 0.000 0.269 340 L C -2.260 174.547 176.870 -0.105 0.000 1.012 340 L CA -2.001 52.849 54.840 0.017 0.000 0.815 340 L CB 1.869 43.948 42.059 0.033 0.000 1.295 340 L HN -0.214 nan 8.230 nan 0.000 0.438 341 P HA 0.294 nan 4.420 nan 0.000 0.271 341 P C -0.151 177.048 177.300 -0.168 0.000 1.220 341 P CA 0.377 63.321 63.100 -0.260 0.000 0.768 341 P CB 1.313 32.758 31.700 -0.426 0.000 0.848 342 G N 2.739 111.498 108.800 -0.068 0.000 2.346 342 G HA2 -0.075 3.886 3.960 0.001 0.000 0.294 342 G HA3 -0.075 3.886 3.960 0.001 0.000 0.294 342 G C -1.527 173.368 174.900 -0.008 0.000 1.294 342 G CA -0.784 44.303 45.100 -0.022 0.000 0.962 342 G HN 0.495 nan 8.290 nan 0.000 0.508 343 N N 2.555 121.259 118.700 0.006 0.000 2.527 343 N HA 0.440 5.180 4.740 0.001 0.000 0.236 343 N C -2.609 172.918 175.510 0.028 0.000 0.999 343 N CA -1.018 52.080 53.050 0.079 0.000 0.935 343 N CB 1.865 40.433 38.487 0.135 0.000 1.132 343 N HN 0.349 nan 8.380 nan 0.000 0.511 344 P HA 0.068 nan 4.420 nan 0.000 0.271 344 P C -0.566 176.739 177.300 0.008 0.000 1.226 344 P CA 0.071 62.982 63.100 -0.315 0.000 0.765 344 P CB 0.629 31.671 31.700 -1.097 0.000 0.835 345 T N 2.997 117.592 114.554 0.068 0.000 2.812 345 T HA 0.367 4.717 4.350 0.001 0.000 0.282 345 T C -0.189 174.668 174.700 0.262 0.000 0.990 345 T CA -0.433 61.829 62.100 0.271 0.000 0.960 345 T CB 1.121 70.078 68.868 0.149 0.000 0.948 345 T HN 0.063 nan 8.240 nan 0.000 0.438 346 V N 3.990 124.160 119.914 0.426 0.000 2.448 346 V HA 0.342 4.463 4.120 0.001 0.000 0.295 346 V C -0.764 175.412 176.094 0.136 0.000 1.025 346 V CA -1.062 61.440 62.300 0.336 0.000 0.859 346 V CB 1.230 33.389 31.823 0.559 0.000 0.988 346 V HN 0.822 nan 8.190 nan 0.000 0.431 347 Y N 6.647 126.927 120.300 -0.032 0.000 2.377 347 Y HA 0.356 4.907 4.550 0.001 0.000 0.330 347 Y C 0.242 175.982 175.900 -0.266 0.000 1.108 347 Y CA -1.363 56.672 58.100 -0.108 0.000 1.308 347 Y CB 0.244 38.677 38.460 -0.045 0.000 1.216 347 Y HN 0.736 nan 8.280 nan 0.000 0.518 348 Y N 4.458 124.259 120.300 -0.832 0.000 2.904 348 Y HA 0.295 4.846 4.550 0.001 0.000 0.336 348 Y C 1.101 176.759 175.900 -0.404 0.000 1.263 348 Y CA -0.125 57.581 58.100 -0.658 0.000 1.547 348 Y CB -0.077 38.188 38.460 -0.325 0.000 1.272 348 Y HN 0.951 nan 8.280 nan 0.000 0.596 349 G N 2.308 110.961 108.800 -0.245 0.000 2.299 349 G HA2 -0.338 3.623 3.960 0.001 0.000 0.237 349 G HA3 -0.338 3.623 3.960 0.001 0.000 0.237 349 G C 1.015 175.799 174.900 -0.193 0.000 1.027 349 G CA 0.277 45.190 45.100 -0.313 0.000 0.619 349 G HN 0.599 nan 8.290 nan 0.000 0.513 350 E N 1.191 121.302 120.200 -0.147 0.000 2.204 350 E HA -0.112 4.239 4.350 0.001 0.000 0.195 350 E C 2.405 179.015 176.600 0.017 0.000 0.990 350 E CA 1.438 57.821 56.400 -0.030 0.000 0.821 350 E CB -0.238 29.490 29.700 0.046 0.000 0.750 350 E HN 0.872 nan 8.360 nan 0.000 0.477 351 E N 1.165 121.401 120.200 0.060 0.000 2.274 351 E HA -0.100 4.251 4.350 0.001 0.000 0.194 351 E C 1.665 178.240 176.600 -0.040 0.000 0.996 351 E CA 1.185 57.623 56.400 0.063 0.000 0.840 351 E CB -0.185 29.608 29.700 0.155 0.000 0.772 351 E HN 0.229 nan 8.360 nan 0.000 0.491 352 V N -2.531 117.314 119.914 -0.114 0.000 3.121 352 V HA 0.527 4.648 4.120 0.001 0.000 0.344 352 V C 0.831 176.906 176.094 -0.032 0.000 1.390 352 V CA -0.111 62.096 62.300 -0.154 0.000 1.177 352 V CB -0.388 31.138 31.823 -0.494 0.000 1.163 352 V HN 0.357 nan 8.190 nan 0.000 0.484 356 G N -1.191 107.592 108.800 -0.029 0.000 2.301 356 G HA2 0.602 4.563 3.960 0.001 0.000 0.290 356 G HA3 0.602 4.563 3.960 0.001 0.000 0.290 356 G C 0.110 174.996 174.900 -0.023 0.000 1.669 356 G CA 0.367 45.449 45.100 -0.029 0.000 0.945 356 G HN 1.956 nan 8.290 nan 0.000 0.710 357 G N 0.150 108.937 108.800 -0.023 0.000 2.580 357 G HA2 0.572 4.533 3.960 0.001 0.000 0.225 357 G HA3 0.572 4.533 3.960 0.001 0.000 0.225 357 G C 0.690 175.575 174.900 -0.026 0.000 1.521 357 G CA 0.195 45.282 45.100 -0.021 0.000 1.068 357 G HN 1.158 nan 8.290 nan 0.000 0.564 358 K N -0.193 120.191 120.400 -0.027 0.000 2.149 358 K HA 0.216 4.537 4.320 0.001 0.000 0.245 358 K C -0.224 176.353 176.600 -0.038 0.000 1.024 358 K CA -0.414 55.852 56.287 -0.035 0.000 0.899 358 K CB 0.506 32.986 32.500 -0.034 0.000 1.038 358 K HN 0.281 nan 8.250 nan 0.000 0.496 359 D N 1.516 121.888 120.400 -0.048 0.000 2.658 359 D HA -0.070 4.571 4.640 0.001 0.000 0.230 359 D C -1.257 175.027 176.300 -0.028 0.000 1.118 359 D CA -1.201 52.772 54.000 -0.046 0.000 0.848 359 D CB 0.796 41.565 40.800 -0.052 0.000 1.160 359 D HN 0.474 nan 8.370 nan 0.000 0.497 360 P HA 0.054 nan 4.420 nan 0.000 0.255 360 P C 0.693 177.956 177.300 -0.062 0.000 1.248 360 P CA 0.146 63.219 63.100 -0.045 0.000 0.807 360 P CB 0.408 32.092 31.700 -0.026 0.000 1.150 361 E N 1.392 121.565 120.200 -0.046 0.000 2.331 361 E HA -0.132 4.219 4.350 0.001 0.000 0.199 361 E C 1.106 177.675 176.600 -0.052 0.000 1.008 361 E CA 0.862 57.234 56.400 -0.046 0.000 0.843 361 E CB -0.146 29.535 29.700 -0.033 0.000 0.761 361 E HN 0.439 nan 8.360 nan 0.000 0.507 362 N N 0.294 118.966 118.700 -0.046 0.000 2.383 362 N HA -0.060 4.681 4.740 0.001 0.000 0.192 362 N C 0.366 175.872 175.510 -0.007 0.000 1.141 362 N CA 0.163 53.207 53.050 -0.009 0.000 0.851 362 N CB 0.107 38.600 38.487 0.010 0.000 0.976 362 N HN 0.027 nan 8.380 nan 0.000 0.465 363 R N 0.139 120.576 120.500 -0.106 0.000 2.816 363 R HA 0.324 4.664 4.340 0.001 0.000 0.382 363 R C 0.431 176.643 176.300 -0.147 0.000 1.140 363 R CA -0.377 55.603 56.100 -0.200 0.000 1.050 363 R CB 0.832 30.819 30.300 -0.521 0.000 1.396 363 R HN 0.096 nan 8.270 nan 0.000 0.583 364 G N -0.280 108.455 108.800 -0.107 0.000 2.606 364 G HA2 0.358 4.319 3.960 0.001 0.000 0.252 364 G HA3 0.358 4.319 3.960 0.001 0.000 0.252 364 G C 0.418 175.226 174.900 -0.153 0.000 1.206 364 G CA -0.279 44.736 45.100 -0.141 0.000 0.861 364 G HN 0.242 nan 8.290 nan 0.000 0.561 368 W N 1.160 122.566 121.300 0.176 0.000 3.239 368 W HA 0.384 5.045 4.660 0.001 0.000 0.348 368 W C 1.040 177.455 176.519 -0.174 0.000 1.183 368 W CA -0.248 57.119 57.345 0.037 0.000 1.819 368 W CB 0.789 30.178 29.460 -0.119 0.000 1.091 368 W HN 0.629 nan 8.180 nan 0.000 0.629 369 E N 1.580 121.752 120.200 -0.047 0.000 1.941 369 E HA 0.037 4.388 4.350 0.001 0.000 0.275 369 E C 0.962 177.220 176.600 -0.569 0.000 1.113 369 E CA 0.298 56.579 56.400 -0.199 0.000 0.878 369 E CB 0.248 29.900 29.700 -0.080 0.000 1.070 369 E HN 0.283 nan 8.360 nan 0.000 0.399 370 E N 2.919 122.598 120.200 -0.868 0.000 2.273 370 E HA -0.246 4.105 4.350 0.001 0.000 0.198 370 E C 1.198 177.403 176.600 -0.658 0.000 1.002 370 E CA 1.129 56.696 56.400 -1.388 0.000 0.828 370 E CB -0.004 29.064 29.700 -1.053 0.000 0.747 370 E HN 0.631 nan 8.360 nan 0.000 0.491 371 A N 0.778 123.384 122.820 -0.357 0.000 2.206 371 A HA -0.047 4.274 4.320 0.001 0.000 0.211 371 A C 1.798 179.325 177.584 -0.095 0.000 1.158 371 A CA 0.512 52.450 52.037 -0.164 0.000 0.761 371 A CB -0.012 18.922 19.000 -0.109 0.000 0.801 371 A HN 0.060 nan 8.150 nan 0.000 0.473 372 R N -1.935 118.490 120.500 -0.126 0.000 2.308 372 R HA 0.052 4.392 4.340 0.001 0.000 0.202 372 R C -0.386 176.007 176.300 0.155 0.000 0.898 372 R CA -0.485 55.620 56.100 0.007 0.000 1.046 372 R CB 0.137 30.445 30.300 0.014 0.000 1.026 372 R HN 0.516 nan 8.270 nan 0.000 0.512 373 W N 1.880 123.184 121.300 0.007 0.000 2.137 373 W HA 0.062 4.723 4.660 0.001 0.000 0.344 373 W C 0.889 177.418 176.519 0.016 0.000 1.286 373 W CA -0.673 56.678 57.345 0.011 0.000 1.240 373 W CB 0.054 29.536 29.460 0.037 0.000 1.141 373 W HN -0.102 nan 8.180 nan 0.000 0.579 374 Q N 2.955 122.897 119.800 0.236 0.000 2.423 374 Q HA 0.147 4.488 4.340 0.001 0.000 0.235 374 Q C 1.372 177.451 176.000 0.131 0.000 1.100 374 Q CA 0.229 56.111 55.803 0.132 0.000 0.908 374 Q CB 0.803 29.583 28.738 0.070 0.000 1.312 374 Q HN 0.680 nan 8.270 nan 0.000 0.497 375 K N 4.122 124.607 120.400 0.142 0.000 2.034 375 K HA -0.223 4.097 4.320 0.001 0.000 0.214 375 K C 1.148 177.794 176.600 0.078 0.000 1.051 375 K CA 2.248 58.612 56.287 0.128 0.000 0.931 375 K CB -0.740 31.824 32.500 0.106 0.000 0.715 375 K HN 0.701 nan 8.250 nan 0.000 0.446 376 D N 0.522 120.956 120.400 0.056 0.000 2.104 376 D HA -0.124 4.517 4.640 0.001 0.000 0.194 376 D C 2.103 178.418 176.300 0.025 0.000 0.994 376 D CA 1.509 55.530 54.000 0.035 0.000 0.830 376 D CB -0.183 40.635 40.800 0.029 0.000 0.959 376 D HN 0.426 nan 8.370 nan 0.000 0.452 377 L N 0.362 121.600 121.223 0.026 0.000 2.017 377 L HA -0.160 4.180 4.340 0.001 0.000 0.208 377 L C 2.780 179.655 176.870 0.007 0.000 1.073 377 L CA 1.079 55.930 54.840 0.017 0.000 0.745 377 L CB -0.314 41.756 42.059 0.018 0.000 0.894 377 L HN -0.041 nan 8.230 nan 0.000 0.432 378 R N 0.272 120.777 120.500 0.007 0.000 2.075 378 R HA -0.159 4.182 4.340 0.001 0.000 0.232 378 R C 2.144 178.431 176.300 -0.022 0.000 1.126 378 R CA 1.378 57.468 56.100 -0.017 0.000 0.963 378 R CB -0.010 30.269 30.300 -0.035 0.000 0.858 378 R HN 0.399 nan 8.270 nan 0.000 0.435 379 E N -0.758 119.442 120.200 0.000 0.000 2.077 379 E HA -0.149 4.202 4.350 0.001 0.000 0.193 379 E C 1.839 178.410 176.600 -0.049 0.000 0.989 379 E CA 1.770 58.163 56.400 -0.012 0.000 0.800 379 E CB -0.034 29.672 29.700 0.010 0.000 0.746 379 E HN 0.352 nan 8.360 nan 0.000 0.452 380 T N 0.932 115.457 114.554 -0.048 0.000 2.708 380 T HA -0.130 4.221 4.350 0.001 0.000 0.266 380 T C 2.137 176.729 174.700 -0.180 0.000 1.037 380 T CA 1.100 63.152 62.100 -0.080 0.000 1.146 380 T CB -0.228 68.618 68.868 -0.037 0.000 0.865 380 T HN -0.024 nan 8.240 nan 0.000 0.435 381 V N 1.526 121.335 119.914 -0.174 0.000 2.343 381 V HA -0.182 3.939 4.120 0.001 0.000 0.247 381 V C 2.506 178.367 176.094 -0.388 0.000 1.051 381 V CA 1.731 63.834 62.300 -0.327 0.000 1.036 381 V CB -0.525 31.249 31.823 -0.082 0.000 0.654 381 V HN 0.440 nan 8.190 nan 0.000 0.451 382 K N 0.023 120.313 120.400 -0.184 0.000 2.026 382 K HA -0.251 4.070 4.320 0.001 0.000 0.208 382 K C 2.361 178.862 176.600 -0.164 0.000 1.048 382 K CA 1.707 57.916 56.287 -0.131 0.000 0.929 382 K CB -0.119 32.334 32.500 -0.078 0.000 0.713 382 K HN 0.213 nan 8.250 nan 0.000 0.439 383 R N 0.908 121.313 120.500 -0.158 0.000 2.080 383 R HA -0.099 4.241 4.340 0.001 0.000 0.236 383 R C 2.173 178.365 176.300 -0.181 0.000 1.137 383 R CA 1.675 57.696 56.100 -0.132 0.000 0.943 383 R CB -0.726 29.514 30.300 -0.101 0.000 0.846 383 R HN 0.233 nan 8.270 nan 0.000 0.431 384 L N -0.098 120.938 121.223 -0.310 0.000 2.141 384 L HA -0.000 4.340 4.340 0.001 0.000 0.209 384 L C 2.383 179.005 176.870 -0.413 0.000 1.094 384 L CA 1.403 56.029 54.840 -0.356 0.000 0.763 384 L CB -0.437 41.366 42.059 -0.428 0.000 0.908 384 L HN 0.350 nan 8.230 nan 0.000 0.437 385 A N -0.349 122.095 122.820 -0.627 0.000 1.930 385 A HA -0.213 4.107 4.320 0.001 0.000 0.217 385 A C 2.364 179.941 177.584 -0.011 0.000 1.175 385 A CA 1.543 53.421 52.037 -0.264 0.000 0.627 385 A CB -0.395 18.512 19.000 -0.156 0.000 0.815 385 A HN 0.273 nan 8.150 nan 0.000 0.443 386 R N -0.608 119.860 120.500 -0.053 0.000 2.075 386 R HA -0.023 4.318 4.340 0.001 0.000 0.232 386 R C 1.748 178.058 176.300 0.017 0.000 1.126 386 R CA 1.322 57.418 56.100 -0.006 0.000 0.963 386 R CB -0.814 29.472 30.300 -0.024 0.000 0.858 386 R HN 0.378 nan 8.270 nan 0.000 0.435 387 L N 0.515 121.751 121.223 0.020 0.000 2.083 387 L HA -0.036 4.305 4.340 0.001 0.000 0.209 387 L C 2.504 179.463 176.870 0.149 0.000 1.083 387 L CA 1.790 56.700 54.840 0.117 0.000 0.752 387 L CB -0.571 41.509 42.059 0.036 0.000 0.899 387 L HN 0.195 nan 8.230 nan 0.000 0.433 388 R N -0.701 119.862 120.500 0.104 0.000 2.115 388 R HA -0.138 4.202 4.340 0.001 0.000 0.226 388 R C 2.321 178.684 176.300 0.105 0.000 1.100 388 R CA 0.887 57.064 56.100 0.128 0.000 0.980 388 R CB -0.026 30.403 30.300 0.215 0.000 0.875 388 R HN 0.108 nan 8.270 nan 0.000 0.445 389 K N 1.182 121.634 120.400 0.087 0.000 2.097 389 K HA -0.130 4.191 4.320 0.001 0.000 0.205 389 K C 0.988 177.581 176.600 -0.011 0.000 1.050 389 K CA 1.543 57.864 56.287 0.057 0.000 0.938 389 K CB 0.143 32.679 32.500 0.060 0.000 0.718 389 K HN 0.335 nan 8.250 nan 0.000 0.442 390 E N -0.574 119.576 120.200 -0.083 0.000 2.479 390 E HA -0.012 4.339 4.350 0.001 0.000 0.193 390 E C -0.315 175.957 176.600 -0.547 0.000 1.049 390 E CA 0.120 56.353 56.400 -0.279 0.000 0.870 390 E CB 0.245 29.740 29.700 -0.342 0.000 0.944 390 E HN 0.270 nan 8.360 nan 0.000 0.492 391 H N 0.227 119.303 119.070 0.009 0.000 2.490 391 H HA 0.107 4.664 4.556 0.001 0.000 0.230 391 H C -1.944 173.406 175.328 0.037 0.000 1.417 391 H CA -1.671 54.385 56.048 0.014 0.000 1.449 391 H CB 0.818 30.455 29.762 -0.208 0.000 1.649 391 H HN 0.051 nan 8.280 nan 0.000 0.519 392 P HA -0.215 nan 4.420 nan 0.000 0.219 392 P C 1.435 178.821 177.300 0.143 0.000 1.145 392 P CA 1.302 64.471 63.100 0.115 0.000 0.813 392 P CB 0.243 31.996 31.700 0.088 0.000 0.771 393 A N -0.203 122.753 122.820 0.227 0.000 2.070 393 A HA -0.096 4.225 4.320 0.001 0.000 0.220 393 A C 2.278 179.982 177.584 0.199 0.000 1.159 393 A CA 0.942 53.130 52.037 0.251 0.000 0.656 393 A CB -1.415 17.843 19.000 0.428 0.000 0.800 393 A HN 0.199 nan 8.150 nan 0.000 0.453 394 L N -1.342 119.965 121.223 0.140 0.000 2.551 394 L HA -0.041 4.300 4.340 0.001 0.000 0.228 394 L C 2.367 179.285 176.870 0.081 0.000 1.153 394 L CA 0.591 55.489 54.840 0.097 0.000 0.851 394 L CB -0.219 41.862 42.059 0.038 0.000 0.959 394 L HN 0.366 nan 8.230 nan 0.000 0.451 395 R N -1.309 119.237 120.500 0.077 0.000 2.307 395 R HA 0.075 4.416 4.340 0.001 0.000 0.200 395 R C 1.754 178.073 176.300 0.031 0.000 0.893 395 R CA 1.072 57.200 56.100 0.047 0.000 1.042 395 R CB 0.330 30.662 30.300 0.054 0.000 1.059 395 R HN 0.354 nan 8.270 nan 0.000 0.530 396 T N -3.011 111.573 114.554 0.051 0.000 2.954 396 T HA 0.352 4.703 4.350 0.001 0.000 0.252 396 T C 0.871 175.599 174.700 0.046 0.000 0.983 396 T CA -0.025 62.099 62.100 0.040 0.000 0.941 396 T CB 0.367 69.262 68.868 0.045 0.000 1.141 396 T HN 0.092 nan 8.240 nan 0.000 0.500 397 A N 3.057 125.922 122.820 0.075 0.000 2.346 397 A HA 0.654 4.975 4.320 0.001 0.000 0.252 397 A C -2.266 175.353 177.584 0.060 0.000 1.089 397 A CA -1.123 50.963 52.037 0.083 0.000 0.797 397 A CB -0.327 18.751 19.000 0.130 0.000 1.047 397 A HN 0.326 nan 8.150 nan 0.000 0.494 398 P HA 0.281 nan 4.420 nan 0.000 0.277 398 P C -1.152 176.212 177.300 0.107 0.000 1.276 398 P CA -0.008 63.132 63.100 0.067 0.000 0.788 398 P CB 0.249 31.991 31.700 0.069 0.000 1.114 399 Y N 0.530 120.824 120.300 -0.011 0.000 2.335 399 Y HA 0.606 5.157 4.550 0.001 0.000 0.338 399 Y C -1.298 174.651 175.900 0.082 0.000 0.977 399 Y CA -0.699 57.415 58.100 0.023 0.000 1.114 399 Y CB 0.683 39.117 38.460 -0.042 0.000 1.182 399 Y HN 0.172 nan 8.280 nan 0.000 0.463 400 L N 8.076 129.056 121.223 -0.404 0.000 2.404 400 L HA 0.536 4.877 4.340 0.001 0.000 0.272 400 L C -0.776 175.863 176.870 -0.386 0.000 0.980 400 L CA -0.886 53.789 54.840 -0.276 0.000 0.836 400 L CB 1.082 43.084 42.059 -0.095 0.000 1.238 400 L HN 0.734 nan 8.230 nan 0.000 0.408 401 R N 4.217 124.532 120.500 -0.308 0.000 2.442 401 R HA 0.199 4.540 4.340 0.001 0.000 0.291 401 R C 0.065 176.312 176.300 -0.089 0.000 1.069 401 R CA -0.114 55.888 56.100 -0.164 0.000 1.022 401 R CB 0.796 31.064 30.300 -0.053 0.000 0.976 401 R HN 0.710 nan 8.270 nan 0.000 0.443 402 I N 3.707 124.273 120.570 -0.007 0.000 4.124 402 I HA 0.101 4.272 4.170 0.001 0.000 0.311 402 I C -0.205 175.993 176.117 0.136 0.000 1.259 402 I CA 0.265 61.599 61.300 0.055 0.000 1.315 402 I CB -0.193 37.885 38.000 0.131 0.000 1.223 402 I HN 0.539 nan 8.210 nan 0.000 0.441 403 Y N 0.986 121.230 120.300 -0.093 0.000 2.519 403 Y HA 0.678 5.228 4.550 0.001 0.000 0.336 403 Y C -1.557 174.291 175.900 -0.087 0.000 1.089 403 Y CA -1.100 56.916 58.100 -0.141 0.000 1.025 403 Y CB 1.716 39.865 38.460 -0.519 0.000 1.318 403 Y HN -0.028 nan 8.280 nan 0.000 0.452 404 A N 5.606 128.006 122.820 -0.700 0.000 2.466 404 A HA 0.655 4.976 4.320 0.001 0.000 0.284 404 A C -1.980 175.264 177.584 -0.567 0.000 1.049 404 A CA -0.476 51.294 52.037 -0.446 0.000 0.760 404 A CB 1.756 20.604 19.000 -0.254 0.000 1.274 404 A HN 0.549 nan 8.150 nan 0.000 0.412 405 Q N 2.396 121.970 119.800 -0.378 0.000 2.378 405 Q HA 0.395 4.736 4.340 0.001 0.000 0.262 405 Q C -0.232 175.676 176.000 -0.153 0.000 0.978 405 Q CA 0.582 56.244 55.803 -0.235 0.000 0.918 405 Q CB 1.928 30.551 28.738 -0.191 0.000 1.415 405 Q HN 1.164 nan 8.270 nan 0.000 0.409 406 D N 2.661 122.976 120.400 -0.142 0.000 3.608 406 D HA -0.268 4.373 4.640 0.001 0.000 0.152 406 D C 0.241 176.458 176.300 -0.138 0.000 0.971 406 D CA 2.852 56.741 54.000 -0.185 0.000 1.072 406 D CB -1.280 39.307 40.800 -0.355 0.000 0.507 406 D HN 0.792 nan 8.370 nan 0.000 0.520 407 G N -1.030 107.584 108.800 -0.310 0.000 3.959 407 G HA2 0.370 4.331 3.960 0.001 0.000 0.298 407 G HA3 0.370 4.331 3.960 0.001 0.000 0.298 407 G C -0.695 174.143 174.900 -0.104 0.000 1.211 407 G CA -0.082 44.930 45.100 -0.148 0.000 1.001 407 G HN 0.535 nan 8.290 nan 0.000 0.561 408 H N -0.229 118.759 119.070 -0.136 0.000 2.539 408 H HA 0.550 5.107 4.556 0.001 0.000 0.332 408 H C -1.285 174.015 175.328 -0.047 0.000 1.031 408 H CA -0.863 54.906 56.048 -0.465 0.000 1.206 408 H CB 2.646 31.715 29.762 -1.155 0.000 1.446 408 H HN 0.183 nan 8.280 nan 0.000 0.496 409 L N 2.955 124.347 121.223 0.283 0.000 2.431 409 L HA 0.775 5.116 4.340 0.001 0.000 0.266 409 L C -1.395 175.706 176.870 0.385 0.000 0.978 409 L CA -0.500 54.555 54.840 0.358 0.000 0.822 409 L CB 1.779 44.090 42.059 0.419 0.000 1.310 409 L HN 0.715 nan 8.230 nan 0.000 0.409 410 A N 4.268 127.256 122.820 0.280 0.000 2.374 410 A HA 0.866 5.187 4.320 0.001 0.000 0.305 410 A C -1.398 176.307 177.584 0.202 0.000 1.053 410 A CA -0.378 51.751 52.037 0.153 0.000 0.726 410 A CB 0.871 19.801 19.000 -0.117 0.000 1.229 410 A HN 0.827 nan 8.150 nan 0.000 0.431 411 F N -0.072 119.924 119.950 0.076 0.000 2.626 411 F HA 0.907 5.435 4.527 0.001 0.000 0.311 411 F C -0.141 175.630 175.800 -0.048 0.000 1.088 411 F CA -1.023 56.917 58.000 -0.101 0.000 0.949 411 F CB 1.429 40.261 39.000 -0.281 0.000 1.322 411 F HN 0.772 nan 8.300 nan 0.000 0.461 412 A N 1.724 124.582 122.820 0.063 0.000 2.340 412 A HA 0.904 5.225 4.320 0.001 0.000 0.331 412 A C -0.701 176.979 177.584 0.160 0.000 1.140 412 A CA -1.005 51.062 52.037 0.050 0.000 0.801 412 A CB 1.205 20.188 19.000 -0.027 0.000 1.234 412 A HN 0.701 nan 8.150 nan 0.000 0.469 413 R N 1.408 122.031 120.500 0.205 0.000 2.547 413 R HA 0.467 4.808 4.340 0.001 0.000 0.280 413 R C 0.811 177.251 176.300 0.233 0.000 1.630 413 R CA 0.313 56.562 56.100 0.247 0.000 1.470 413 R CB 0.120 30.610 30.300 0.318 0.000 1.178 413 R HN 1.738 nan 8.270 nan 0.000 0.591 414 G N 4.065 112.945 108.800 0.133 0.000 2.543 414 G HA2 -0.319 3.641 3.960 0.001 0.000 0.286 414 G HA3 -0.319 3.641 3.960 0.001 0.000 0.286 414 G C -1.390 173.530 174.900 0.034 0.000 1.153 414 G CA 0.120 45.273 45.100 0.089 0.000 0.968 414 G HN 0.403 nan 8.290 nan 0.000 0.544 415 P HA 0.196 nan 4.420 nan 0.000 0.249 415 P C -0.247 176.970 177.300 -0.138 0.000 1.229 415 P CA 0.707 63.720 63.100 -0.144 0.000 0.788 415 P CB 0.052 31.573 31.700 -0.297 0.000 1.072 416 Y N 0.513 120.916 120.300 0.172 0.000 2.323 416 Y HA 0.431 4.982 4.550 0.001 0.000 0.331 416 Y C 0.545 176.508 175.900 0.104 0.000 1.092 416 Y CA -1.241 56.962 58.100 0.172 0.000 1.150 416 Y CB 1.075 39.585 38.460 0.084 0.000 1.200 416 Y HN -0.255 nan 8.280 nan 0.000 0.472 417 L N 3.447 124.866 121.223 0.326 0.000 2.294 417 L HA 0.818 5.159 4.340 0.001 0.000 0.283 417 L C -0.466 176.482 176.870 0.131 0.000 1.015 417 L CA -0.679 54.246 54.840 0.143 0.000 0.831 417 L CB 0.434 42.561 42.059 0.113 0.000 1.217 417 L HN 0.678 nan 8.230 nan 0.000 0.420 418 A N 5.068 127.759 122.820 -0.214 0.000 2.301 418 A HA 0.729 5.049 4.320 0.001 0.000 0.298 418 A C -0.840 176.632 177.584 -0.186 0.000 1.185 418 A CA -0.449 51.360 52.037 -0.380 0.000 0.830 418 A CB 0.811 19.079 19.000 -1.218 0.000 1.112 418 A HN 0.568 nan 8.150 nan 0.000 0.508 419 V N 3.507 123.483 119.914 0.103 0.000 2.483 419 V HA 0.433 4.554 4.120 0.001 0.000 0.297 419 V C -0.545 175.738 176.094 0.315 0.000 1.027 419 V CA -0.499 61.975 62.300 0.290 0.000 0.855 419 V CB 1.517 33.598 31.823 0.429 0.000 0.995 419 V HN 0.630 nan 8.190 nan 0.000 0.424 420 V N 3.740 123.887 119.914 0.388 0.000 2.378 420 V HA 0.449 4.570 4.120 0.001 0.000 0.288 420 V C -0.143 176.139 176.094 0.313 0.000 1.016 420 V CA -0.630 61.893 62.300 0.370 0.000 0.840 420 V CB 1.796 33.913 31.823 0.489 0.000 0.994 420 V HN 0.846 nan 8.190 nan 0.000 0.431 421 N N 3.993 122.828 118.700 0.225 0.000 2.801 421 N HA 0.424 5.164 4.740 0.001 0.000 0.235 421 N C 0.113 175.553 175.510 -0.116 0.000 1.069 421 N CA -0.285 52.822 53.050 0.096 0.000 0.946 421 N CB 1.324 39.891 38.487 0.134 0.000 1.212 421 N HN 0.808 nan 8.380 nan 0.000 0.509 422 A N 2.334 125.027 122.820 -0.212 0.000 3.215 422 A HA 0.480 4.801 4.320 0.001 0.000 0.269 422 A C -0.092 177.133 177.584 -0.600 0.000 1.517 422 A CA -0.338 51.442 52.037 -0.429 0.000 1.221 422 A CB -0.728 17.807 19.000 -0.774 0.000 1.160 422 A HN 0.599 nan 8.150 nan 0.000 0.620 423 S N -1.213 113.926 115.700 -0.935 0.000 2.588 423 S HA 0.653 5.124 4.470 0.001 0.000 0.269 423 S C -3.018 170.985 174.600 -0.996 0.000 1.157 423 S CA -0.941 56.797 58.200 -0.770 0.000 0.824 423 S CB 1.410 64.393 63.200 -0.361 0.000 1.126 423 S HN -0.040 nan 8.310 nan 0.000 0.464 424 P HA 0.166 nan 4.420 nan 0.000 0.236 424 P C -0.272 176.823 177.300 -0.342 0.000 1.177 424 P CA 0.798 63.656 63.100 -0.403 0.000 0.773 424 P CB -0.123 31.361 31.700 -0.360 0.000 0.878 425 H N -0.837 118.207 119.070 -0.044 0.000 2.479 425 H HA 0.353 4.910 4.556 0.001 0.000 0.335 425 H C -2.225 173.157 175.328 0.089 0.000 1.142 425 H CA -3.066 53.009 56.048 0.045 0.000 1.234 425 H CB -0.218 29.591 29.762 0.078 0.000 1.503 425 H HN -0.119 nan 8.280 nan 0.000 0.510 426 P HA -0.073 nan 4.420 nan 0.000 0.267 426 P C -0.537 176.872 177.300 0.182 0.000 1.201 426 P CA 0.317 63.510 63.100 0.155 0.000 0.775 426 P CB 0.300 32.072 31.700 0.121 0.000 0.854 427 F N 3.204 123.083 119.950 -0.119 0.000 2.500 427 F HA 0.369 4.896 4.527 0.001 0.000 0.349 427 F C 0.013 175.732 175.800 -0.134 0.000 1.127 427 F CA -1.464 56.346 58.000 -0.316 0.000 0.998 427 F CB 0.760 39.449 39.000 -0.519 0.000 1.237 427 F HN 0.126 nan 8.300 nan 0.000 0.439 428 R N 4.984 125.405 120.500 -0.133 0.000 2.370 428 R HA 0.146 4.487 4.340 0.001 0.000 0.309 428 R C -0.262 175.703 176.300 -0.557 0.000 1.059 428 R CA -0.087 55.865 56.100 -0.247 0.000 0.981 428 R CB 0.370 30.612 30.300 -0.096 0.000 0.972 428 R HN 0.626 nan 8.270 nan 0.000 0.437 429 Q N 3.167 122.671 119.800 -0.493 0.000 2.844 429 Q HA 0.023 4.364 4.340 0.001 0.000 0.235 429 Q C -0.288 175.326 176.000 -0.644 0.000 1.336 429 Q CA -0.039 55.408 55.803 -0.594 0.000 1.026 429 Q CB 0.353 28.849 28.738 -0.403 0.000 1.513 429 Q HN 0.592 nan 8.270 nan 0.000 0.577 430 D N 0.174 120.226 120.400 -0.580 0.000 2.636 430 D HA 0.016 4.657 4.640 0.001 0.000 0.270 430 D C -0.162 175.897 176.300 -0.403 0.000 1.430 430 D CA -0.464 53.256 54.000 -0.466 0.000 0.796 430 D CB -0.422 40.228 40.800 -0.250 0.000 1.117 430 D HN 0.233 nan 8.370 nan 0.000 0.480 431 F N 0.352 120.101 119.950 -0.335 0.000 2.378 431 F HA 0.664 5.192 4.527 0.001 0.000 0.319 431 F C -2.268 173.438 175.800 -0.156 0.000 1.155 431 F CA -2.760 55.094 58.000 -0.244 0.000 1.157 431 F CB -0.459 38.266 39.000 -0.458 0.000 1.252 431 F HN -0.330 nan 8.300 nan 0.000 0.550 432 P HA 0.100 nan 4.420 nan 0.000 0.271 432 P C 0.133 177.458 177.300 0.041 0.000 1.220 432 P CA -0.036 63.027 63.100 -0.062 0.000 0.768 432 P CB 1.284 32.864 31.700 -0.200 0.000 0.848 433 L N 2.252 123.425 121.223 -0.083 0.000 2.599 433 L HA 0.004 4.344 4.340 0.001 0.000 0.230 433 L C 0.620 177.521 176.870 0.052 0.000 1.141 433 L CA 0.219 55.048 54.840 -0.019 0.000 0.877 433 L CB -1.382 40.581 42.059 -0.160 0.000 1.009 433 L HN 0.539 nan 8.230 nan 0.000 0.447 434 H N -0.161 118.917 119.070 0.013 0.000 2.731 434 H HA -0.207 4.350 4.556 0.001 0.000 0.305 434 H C 1.408 176.721 175.328 -0.024 0.000 1.132 434 H CA 0.585 56.637 56.048 0.007 0.000 1.148 434 H CB -1.503 28.274 29.762 0.025 0.000 1.379 434 H HN 0.523 nan 8.280 nan 0.000 0.398 435 G N -1.759 107.047 108.800 0.010 0.000 2.136 435 G HA2 -0.338 3.623 3.960 0.001 0.000 0.242 435 G HA3 -0.338 3.623 3.960 0.001 0.000 0.242 435 G C 1.133 176.005 174.900 -0.047 0.000 0.989 435 G CA 0.336 45.433 45.100 -0.005 0.000 0.682 435 G HN 0.467 nan 8.290 nan 0.000 0.522 436 V N -0.805 119.016 119.914 -0.155 0.000 2.407 436 V HA 0.108 4.229 4.120 0.001 0.000 0.248 436 V C 1.220 177.141 176.094 -0.289 0.000 1.055 436 V CA 1.755 63.864 62.300 -0.319 0.000 1.049 436 V CB -0.500 30.953 31.823 -0.618 0.000 0.662 436 V HN 0.343 nan 8.190 nan 0.000 0.455 437 F N 0.286 120.225 119.950 -0.019 0.000 2.508 437 F HA 0.570 5.098 4.527 0.001 0.000 0.325 437 F C -2.178 173.601 175.800 -0.034 0.000 1.090 437 F CA -3.879 54.100 58.000 -0.035 0.000 0.945 437 F CB 0.572 39.540 39.000 -0.053 0.000 1.156 437 F HN -0.117 nan 8.300 nan 0.000 0.463 438 P HA 0.242 nan 4.420 nan 0.000 0.271 438 P C -0.165 177.168 177.300 0.055 0.000 1.220 438 P CA -0.291 62.856 63.100 0.079 0.000 0.768 438 P CB 0.411 32.143 31.700 0.052 0.000 0.848 439 R N 2.120 122.637 120.500 0.030 0.000 2.678 439 R HA 0.330 4.670 4.340 0.001 0.000 0.264 439 R C 1.228 177.527 176.300 -0.002 0.000 0.995 439 R CA 0.526 56.631 56.100 0.008 0.000 1.098 439 R CB -1.652 28.646 30.300 -0.003 0.000 0.949 439 R HN 1.017 nan 8.270 nan 0.000 0.422 440 G N 0.019 108.810 108.800 -0.015 0.000 2.540 440 G HA2 0.417 4.378 3.960 0.001 0.000 0.260 440 G HA3 0.417 4.378 3.960 0.001 0.000 0.260 440 G C 0.474 175.358 174.900 -0.027 0.000 0.993 440 G CA 0.429 45.516 45.100 -0.022 0.000 1.327 440 G HN 2.324 nan 8.290 nan 0.000 0.485 441 G N -0.830 107.945 108.800 -0.042 0.000 2.519 441 G HA2 0.966 4.927 3.960 0.001 0.000 0.292 441 G HA3 0.966 4.927 3.960 0.001 0.000 0.292 441 G C -0.584 174.265 174.900 -0.085 0.000 1.507 441 G CA 0.312 45.375 45.100 -0.061 0.000 0.806 441 G HN 1.828 nan 8.290 nan 0.000 0.523 442 R N -0.944 119.502 120.500 -0.091 0.000 2.404 442 R HA 0.938 5.279 4.340 0.001 0.000 0.291 442 R C 0.198 176.415 176.300 -0.138 0.000 1.025 442 R CA 0.126 56.174 56.100 -0.086 0.000 0.991 442 R CB 1.174 31.441 30.300 -0.054 0.000 1.053 442 R HN 2.321 nan 8.270 nan 0.000 0.479 443 A N 1.136 123.898 122.820 -0.096 0.000 2.331 443 A HA 0.687 5.008 4.320 0.001 0.000 0.320 443 A C -0.815 176.885 177.584 0.194 0.000 1.138 443 A CA -0.591 51.399 52.037 -0.078 0.000 0.790 443 A CB 1.739 20.657 19.000 -0.136 0.000 1.206 443 A HN 1.518 nan 8.150 nan 0.000 0.470 444 V N 2.313 122.310 119.914 0.137 0.000 2.540 444 V HA 0.511 4.632 4.120 0.001 0.000 0.302 444 V C -1.171 174.823 176.094 -0.168 0.000 1.035 444 V CA -0.604 61.716 62.300 0.033 0.000 0.873 444 V CB 1.755 33.557 31.823 -0.036 0.000 0.992 444 V HN 0.964 nan 8.190 nan 0.000 0.428 445 D N 5.069 125.077 120.400 -0.653 0.000 2.339 445 D HA 0.245 4.885 4.640 0.001 0.000 0.241 445 D C 1.120 177.142 176.300 -0.463 0.000 1.183 445 D CA -0.014 53.386 54.000 -0.999 0.000 0.859 445 D CB 1.170 41.025 40.800 -1.574 0.000 1.067 445 D HN 0.536 nan 8.370 nan 0.000 0.484 446 L N 3.226 124.265 121.223 -0.306 0.000 2.191 446 L HA -0.152 4.189 4.340 0.001 0.000 0.212 446 L C 2.048 178.820 176.870 -0.163 0.000 1.103 446 L CA 0.684 55.417 54.840 -0.178 0.000 0.769 446 L CB -0.271 41.696 42.059 -0.153 0.000 0.908 446 L HN 0.532 nan 8.230 nan 0.000 0.438 447 L N -0.787 120.313 121.223 -0.206 0.000 2.068 447 L HA -0.098 4.242 4.340 0.001 0.000 0.204 447 L C 2.633 179.421 176.870 -0.137 0.000 1.076 447 L CA 1.486 56.238 54.840 -0.147 0.000 0.753 447 L CB -0.348 41.633 42.059 -0.130 0.000 0.910 447 L HN 0.323 nan 8.230 nan 0.000 0.439 448 S N -1.461 114.126 115.700 -0.189 0.000 2.517 448 S HA 0.210 4.681 4.470 0.001 0.000 0.214 448 S C 1.537 176.055 174.600 -0.136 0.000 0.991 448 S CA 0.389 58.502 58.200 -0.144 0.000 0.906 448 S CB 0.854 63.967 63.200 -0.144 0.000 0.789 448 S HN 0.499 nan 8.310 nan 0.000 0.513 449 G N 0.684 109.380 108.800 -0.174 0.000 2.179 449 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 449 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 449 G C -0.078 174.744 174.900 -0.131 0.000 0.977 449 G CA 0.277 45.299 45.100 -0.129 0.000 0.641 449 G HN 0.622 nan 8.290 nan 0.000 0.533 450 E N -0.317 119.770 120.200 -0.188 0.000 2.436 450 E HA 0.463 4.813 4.350 0.001 0.000 0.262 450 E C 0.346 176.907 176.600 -0.065 0.000 1.063 450 E CA 0.501 56.828 56.400 -0.122 0.000 0.944 450 E CB 0.868 30.479 29.700 -0.148 0.000 0.950 450 E HN 0.486 nan 8.360 nan 0.000 0.444 451 V N 2.618 122.568 119.914 0.060 0.000 2.971 451 V HA 0.619 4.740 4.120 0.001 0.000 0.309 451 V C -0.678 175.501 176.094 0.141 0.000 1.130 451 V CA -0.648 61.716 62.300 0.107 0.000 0.964 451 V CB 1.346 33.189 31.823 0.034 0.000 1.029 451 V HN 1.035 nan 8.190 nan 0.000 0.427 452 c N 0.630 119.311 118.600 0.134 0.000 3.253 452 c HA 0.752 5.323 4.570 0.001 0.000 0.342 452 c C -0.596 173.479 174.090 -0.023 0.000 1.306 452 c CA -0.527 55.826 56.329 0.040 0.000 1.207 452 c CB 1.236 43.758 42.510 0.020 0.000 1.479 452 c HN 0.818 nan 8.230 nan 0.000 0.469 453 T N 3.284 117.802 114.554 -0.059 0.000 2.809 453 T HA 0.607 4.958 4.350 0.001 0.000 0.296 453 T C -2.648 171.991 174.700 -0.103 0.000 1.015 453 T CA -0.287 61.767 62.100 -0.077 0.000 0.954 453 T CB 1.180 70.015 68.868 -0.056 0.000 0.950 453 T HN 0.726 nan 8.240 nan 0.000 0.450 454 P HA 0.182 nan 4.420 nan 0.000 0.268 454 P C -0.547 176.692 177.300 -0.102 0.000 1.208 454 P CA -0.177 62.841 63.100 -0.137 0.000 0.777 454 P CB 0.509 32.144 31.700 -0.109 0.000 0.875 455 Q N 0.404 120.137 119.800 -0.112 0.000 2.331 455 Q HA 0.492 4.832 4.340 0.001 0.000 0.272 455 Q C 0.231 176.178 176.000 -0.088 0.000 1.062 455 Q CA -0.596 55.156 55.803 -0.086 0.000 0.806 455 Q CB 1.983 30.673 28.738 -0.079 0.000 1.312 455 Q HN 0.719 nan 8.270 nan 0.000 0.431 456 G N 1.236 109.996 108.800 -0.068 0.000 2.323 456 G HA2 -0.219 3.742 3.960 0.001 0.000 0.292 456 G HA3 -0.219 3.742 3.960 0.001 0.000 0.292 456 G C 0.752 175.602 174.900 -0.082 0.000 1.040 456 G CA 0.814 45.875 45.100 -0.066 0.000 0.942 456 G HN 1.379 nan 8.290 nan 0.000 0.506 457 G N -1.647 107.103 108.800 -0.083 0.000 2.203 457 G HA2 -0.312 3.649 3.960 0.001 0.000 0.263 457 G HA3 -0.312 3.649 3.960 0.001 0.000 0.263 457 G C 0.409 175.221 174.900 -0.146 0.000 1.012 457 G CA 1.158 46.198 45.100 -0.100 0.000 0.749 457 G HN 1.037 nan 8.290 nan 0.000 0.512 458 R N -1.002 119.397 120.500 -0.169 0.000 2.589 458 R HA 0.617 4.958 4.340 0.001 0.000 0.293 458 R C 0.246 176.337 176.300 -0.348 0.000 0.963 458 R CA -1.097 54.852 56.100 -0.251 0.000 0.905 458 R CB 1.532 31.706 30.300 -0.210 0.000 1.144 458 R HN 0.175 nan 8.270 nan 0.000 0.459 459 L N 2.335 123.211 121.223 -0.579 0.000 2.473 459 L HA 0.029 4.370 4.340 0.001 0.000 0.268 459 L C 0.730 177.247 176.870 -0.589 0.000 1.215 459 L CA 0.365 54.779 54.840 -0.710 0.000 0.823 459 L CB 0.901 42.246 42.059 -1.191 0.000 1.099 459 L HN 0.969 nan 8.230 nan 0.000 0.483 460 c N 0.509 118.768 118.600 -0.568 0.000 3.188 460 c HA 0.536 5.107 4.570 0.001 0.000 0.315 460 c C 1.278 175.167 174.090 -0.337 0.000 1.285 460 c CA -0.320 55.779 56.329 -0.385 0.000 1.729 460 c CB -1.274 41.079 42.510 -0.262 0.000 2.257 460 c HN 0.940 nan 8.230 nan 0.000 0.645 461 G N 3.232 111.732 108.800 -0.500 0.000 2.818 461 G HA2 0.354 4.314 3.960 0.001 0.000 0.235 461 G HA3 0.354 4.314 3.960 0.001 0.000 0.235 461 G C -1.812 173.066 174.900 -0.037 0.000 1.244 461 G CA 0.055 45.090 45.100 -0.108 0.000 0.853 461 G HN 0.490 nan 8.290 nan 0.000 0.596 462 P HA 0.245 nan 4.420 nan 0.000 0.279 462 P C 0.394 177.695 177.300 0.002 0.000 1.282 462 P CA -0.359 62.755 63.100 0.024 0.000 0.788 462 P CB 0.581 32.312 31.700 0.050 0.000 1.139 463 V N -1.700 118.210 119.914 -0.007 0.000 2.599 463 V HA 0.057 4.178 4.120 0.001 0.000 0.300 463 V C 0.351 176.461 176.094 0.027 0.000 1.034 463 V CA -0.383 61.911 62.300 -0.010 0.000 1.115 463 V CB -0.762 31.070 31.823 0.015 0.000 0.934 463 V HN 0.298 nan 8.190 nan 0.000 0.485 464 L N 8.814 130.055 121.223 0.031 0.000 2.278 464 L HA 0.557 4.898 4.340 0.001 0.000 0.287 464 L C -1.777 175.153 176.870 0.100 0.000 1.072 464 L CA -1.751 53.143 54.840 0.090 0.000 0.819 464 L CB 0.869 43.016 42.059 0.147 0.000 1.176 464 L HN 0.615 nan 8.230 nan 0.000 0.435 465 P HA 0.141 nan 4.420 nan 0.000 0.271 465 P C -2.695 174.645 177.300 0.066 0.000 1.233 465 P CA -1.352 61.794 63.100 0.076 0.000 0.789 465 P CB -0.399 31.343 31.700 0.071 0.000 0.951 466 P HA -0.030 nan 4.420 nan 0.000 0.264 466 P C -0.225 177.084 177.300 0.015 0.000 1.183 466 P CA 0.670 63.726 63.100 -0.074 0.000 0.763 466 P CB -0.451 31.243 31.700 -0.009 0.000 0.807 467 F N -0.543 119.426 119.950 0.031 0.000 3.079 467 F HA -0.252 4.276 4.527 0.001 0.000 0.274 467 F C 0.595 176.421 175.800 0.043 0.000 0.940 467 F CA 0.813 58.821 58.000 0.014 0.000 0.932 467 F CB -2.476 36.515 39.000 -0.015 0.000 0.891 467 F HN 0.120 nan 8.300 nan 0.000 0.722 468 S N -0.293 115.493 115.700 0.143 0.000 2.704 468 S HA 0.879 5.350 4.470 0.001 0.000 0.305 468 S C -0.513 174.176 174.600 0.148 0.000 1.107 468 S CA -0.805 57.476 58.200 0.135 0.000 0.993 468 S CB 2.549 65.815 63.200 0.109 0.000 1.110 468 S HN 0.201 nan 8.310 nan 0.000 0.534 469 L N 0.905 122.202 121.223 0.124 0.000 2.371 469 L HA 0.910 5.251 4.340 0.001 0.000 0.262 469 L C -1.094 175.825 176.870 0.082 0.000 1.006 469 L CA -0.379 54.540 54.840 0.132 0.000 0.818 469 L CB 1.676 43.807 42.059 0.121 0.000 1.354 469 L HN 0.815 nan 8.230 nan 0.000 0.415 470 A N 3.305 126.180 122.820 0.093 0.000 2.486 470 A HA 0.773 5.094 4.320 0.001 0.000 0.300 470 A C -2.094 175.488 177.584 -0.003 0.000 1.048 470 A CA -0.387 51.648 52.037 -0.003 0.000 0.696 470 A CB 1.590 20.670 19.000 0.134 0.000 1.278 470 A HN 0.670 nan 8.150 nan 0.000 0.405 471 L N 2.032 123.156 121.223 -0.165 0.000 2.492 471 L HA 0.651 4.992 4.340 0.001 0.000 0.258 471 L C -1.598 175.239 176.870 -0.056 0.000 1.028 471 L CA -0.149 54.664 54.840 -0.044 0.000 0.900 471 L CB 0.187 42.196 42.059 -0.083 0.000 1.191 471 L HN 0.738 nan 8.230 nan 0.000 0.459 472 W N 4.587 125.974 121.300 0.144 0.000 2.283 472 W HA 0.738 5.398 4.660 0.001 0.000 0.341 472 W C 0.374 177.058 176.519 0.275 0.000 1.206 472 W CA -0.286 57.165 57.345 0.176 0.000 1.294 472 W CB 0.743 30.349 29.460 0.244 0.000 1.154 472 W HN 0.507 nan 8.180 nan 0.000 0.613 473 R N -0.156 120.495 120.500 0.252 0.000 2.692 473 R HA 0.340 4.680 4.340 0.001 0.000 0.269 473 R C -0.971 175.066 176.300 -0.437 0.000 1.030 473 R CA -1.081 55.010 56.100 -0.015 0.000 0.882 473 R CB 1.125 31.446 30.300 0.035 0.000 1.250 473 R HN 0.227 nan 8.270 nan 0.000 0.465 474 E N 1.405 121.284 120.200 -0.536 0.000 2.351 474 E HA 0.158 4.509 4.350 0.001 0.000 0.266 474 E C 0.380 176.847 176.600 -0.222 0.000 1.031 474 E CA 0.479 56.597 56.400 -0.470 0.000 0.911 474 E CB 1.219 30.752 29.700 -0.278 0.000 0.986 474 E HN 0.649 nan 8.360 nan 0.000 0.446 475 A N 0.000 122.713 122.820 -0.178 0.000 2.254 475 A HA 0.000 4.321 4.320 0.001 0.000 0.244 475 A CA 0.000 51.984 52.037 -0.089 0.000 0.836 475 A CB 0.000 18.959 19.000 -0.069 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486