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 2jg7_1_A DATA FIRST_RESID 1 DATA SEQUENCE SGLLINQPKY SWLKELGLSE DNPGVYNGSW GGSGEVITSY CPANNEPIAR DATA SEQUENCE VTQATLAEYE ETVQKTREAW KMWADIPAPK RGEIVRQIGD ALRKKIKVLG DATA SEQUENCE SLVSLEMGKI YVEGVGEVQE YVDVCDYAVG LSRMIGGPVL PSERPGHALI DATA SEQUENCE EQWNPVGLVG IITAFNFPVA VYGWNNAIAL TCGNVCLWKG APTTPLTSVA DATA SEQUENCE VTKIVAEVLE QNNLPGAICS MTCGGADIGT AMAKDERVDL LSFTGSTHVG DATA SEQUENCE KMVAMMVQER FGRKLLELGG NNAIIVFEDA DLNLVVPSAV FASVGTAGQR DATA SEQUENCE CTTTRRLMLH ESVHDAVVER IAKAYKQVRI GDPWDPSTLY GPLHTKQAVD DATA SEQUENCE QYLAAIEQAK QQGGTLVCGG KVMDRPGNYV EPTIITGLAH DAPIVHTETF DATA SEQUENCE VPILYVLKFK TEEEAFAWNN EVQQGLSSSI FTKDLGRVFR WLGPKGSDCG DATA SEQUENCE IVNVNIPTSG AEIGGAFGGE KHTGGGRESG SDSWKQYMRR STCTINYSKD DATA SEQUENCE LPLAQGIKF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 G N 1.544 110.324 108.800 -0.033 0.000 2.804 2 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.230 2 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.230 2 G C -0.596 174.253 174.900 -0.085 0.000 1.386 2 G CA -0.238 44.830 45.100 -0.054 0.000 0.875 2 G HN 0.686 nan 8.290 nan 0.000 0.557 3 L N 0.119 121.276 121.223 -0.110 0.000 2.397 3 L HA 0.269 4.609 4.340 -0.001 0.000 0.271 3 L C 1.919 178.678 176.870 -0.185 0.000 1.148 3 L CA -1.089 53.654 54.840 -0.162 0.000 0.825 3 L CB 0.722 42.683 42.059 -0.164 0.000 1.117 3 L HN 0.501 nan 8.230 nan 0.000 0.456 4 L N 2.746 123.803 121.223 -0.277 0.000 2.042 4 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 4 L C 2.065 178.730 176.870 -0.341 0.000 1.076 4 L CA 1.640 56.225 54.840 -0.425 0.000 0.749 4 L CB -0.655 40.934 42.059 -0.783 0.000 0.893 4 L HN 0.612 nan 8.230 nan 0.000 0.432 5 I N -0.428 119.964 120.570 -0.297 0.000 2.335 5 I HA -0.341 3.828 4.170 -0.001 0.000 0.251 5 I C 1.882 177.913 176.117 -0.143 0.000 1.129 5 I CA 1.147 62.310 61.300 -0.229 0.000 1.402 5 I CB -0.095 37.775 38.000 -0.217 0.000 1.069 5 I HN 0.410 nan 8.210 nan 0.000 0.424 6 N N 0.860 119.488 118.700 -0.119 0.000 2.459 6 N HA -0.080 4.660 4.740 -0.001 0.000 0.181 6 N C 0.207 175.687 175.510 -0.049 0.000 1.046 6 N CA 0.533 53.536 53.050 -0.080 0.000 0.904 6 N CB -0.081 38.362 38.487 -0.074 0.000 0.964 6 N HN 0.560 nan 8.380 nan 0.000 0.444 7 Q N 0.443 120.228 119.800 -0.026 0.000 2.288 7 Q HA 0.135 4.474 4.340 -0.001 0.000 0.254 7 Q C -1.570 174.442 176.000 0.019 0.000 0.932 7 Q CA -1.642 54.174 55.803 0.022 0.000 0.902 7 Q CB 0.982 29.776 28.738 0.093 0.000 1.203 7 Q HN 0.038 nan 8.270 nan 0.000 0.415 8 P HA -0.190 nan 4.420 nan 0.000 0.216 8 P C 0.754 178.018 177.300 -0.061 0.000 1.150 8 P CA 1.200 64.280 63.100 -0.032 0.000 0.837 8 P CB 0.250 31.931 31.700 -0.031 0.000 0.786 9 K N -1.706 118.640 120.400 -0.090 0.000 2.360 9 K HA -0.148 4.172 4.320 -0.001 0.000 0.201 9 K C 0.440 176.776 176.600 -0.439 0.000 1.046 9 K CA 1.159 57.295 56.287 -0.251 0.000 0.940 9 K CB -0.242 32.074 32.500 -0.306 0.000 0.748 9 K HN 0.215 nan 8.250 nan 0.000 0.465 10 Y N -1.147 119.033 120.300 -0.200 0.000 2.706 10 Y HA 0.103 4.653 4.550 -0.001 0.000 0.255 10 Y C 1.381 176.891 175.900 -0.649 0.000 1.163 10 Y CA -0.294 57.497 58.100 -0.516 0.000 1.174 10 Y CB 0.710 38.910 38.460 -0.434 0.000 1.200 10 Y HN 0.075 nan 8.280 nan 0.000 0.544 11 S N -0.576 114.989 115.700 -0.225 0.000 2.555 11 S HA -0.130 4.340 4.470 -0.001 0.000 0.230 11 S C 1.610 176.161 174.600 -0.082 0.000 0.978 11 S CA 0.335 58.451 58.200 -0.141 0.000 0.934 11 S CB -0.765 62.406 63.200 -0.047 0.000 0.766 11 S HN 0.704 nan 8.310 nan 0.000 0.533 12 W N 1.334 122.657 121.300 0.038 0.000 2.465 12 W HA 0.091 4.751 4.660 -0.001 0.000 0.268 12 W C 1.073 177.643 176.519 0.086 0.000 1.242 12 W CA -0.148 57.236 57.345 0.066 0.000 1.248 12 W CB -0.978 28.543 29.460 0.101 0.000 1.118 12 W HN 0.272 nan 8.180 nan 0.000 0.587 13 L N 1.650 122.645 121.223 -0.381 0.000 2.261 13 L HA -0.186 4.154 4.340 -0.001 0.000 0.216 13 L C 2.588 179.411 176.870 -0.078 0.000 1.114 13 L CA 1.453 56.123 54.840 -0.283 0.000 0.777 13 L CB -0.546 41.206 42.059 -0.512 0.000 0.910 13 L HN -0.083 nan 8.230 nan 0.000 0.440 14 K N -0.097 120.266 120.400 -0.061 0.000 2.296 14 K HA -0.104 4.216 4.320 -0.001 0.000 0.200 14 K C 1.651 178.256 176.600 0.008 0.000 1.048 14 K CA 0.751 57.015 56.287 -0.039 0.000 0.966 14 K CB -0.015 32.458 32.500 -0.045 0.000 0.754 14 K HN 0.430 nan 8.250 nan 0.000 0.466 15 E N 0.974 121.218 120.200 0.073 0.000 2.268 15 E HA -0.078 4.272 4.350 -0.001 0.000 0.195 15 E C 1.488 178.134 176.600 0.077 0.000 0.995 15 E CA 0.561 57.015 56.400 0.090 0.000 0.836 15 E CB 0.014 29.805 29.700 0.152 0.000 0.763 15 E HN 0.232 nan 8.360 nan 0.000 0.491 16 L N -0.421 120.852 121.223 0.085 0.000 2.591 16 L HA 0.147 4.487 4.340 -0.001 0.000 0.228 16 L C 1.144 178.008 176.870 -0.009 0.000 1.133 16 L CA 0.222 55.100 54.840 0.064 0.000 0.880 16 L CB 0.162 42.288 42.059 0.111 0.000 1.033 16 L HN 0.249 nan 8.230 nan 0.000 0.450 17 G N 0.588 109.363 108.800 -0.041 0.000 2.137 17 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.237 17 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.237 17 G C 0.050 174.863 174.900 -0.145 0.000 1.002 17 G CA -0.152 44.883 45.100 -0.108 0.000 0.702 17 G HN 0.228 nan 8.290 nan 0.000 0.515 18 L N 0.290 121.449 121.223 -0.106 0.000 2.360 18 L HA 0.800 5.139 4.340 -0.001 0.000 0.271 18 L C 0.723 177.519 176.870 -0.123 0.000 1.057 18 L CA -0.119 54.648 54.840 -0.120 0.000 0.803 18 L CB 1.821 43.821 42.059 -0.098 0.000 1.207 18 L HN 0.298 nan 8.230 nan 0.000 0.445 19 S N 0.031 115.654 115.700 -0.127 0.000 2.806 19 S HA 0.301 4.771 4.470 -0.001 0.000 0.306 19 S C 0.577 175.109 174.600 -0.115 0.000 1.167 19 S CA -0.570 57.561 58.200 -0.116 0.000 0.847 19 S CB 1.443 64.576 63.200 -0.111 0.000 1.216 19 S HN 0.718 nan 8.310 nan 0.000 0.532 20 E N 0.264 120.402 120.200 -0.103 0.000 2.023 20 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 20 E C -0.450 176.092 176.600 -0.097 0.000 1.003 20 E CA 1.663 58.001 56.400 -0.103 0.000 0.809 20 E CB -0.166 29.482 29.700 -0.086 0.000 0.755 20 E HN 0.609 nan 8.360 nan 0.000 0.449 21 D N 0.160 120.512 120.400 -0.081 0.000 2.185 21 D HA 0.283 4.923 4.640 -0.001 0.000 0.247 21 D C -0.607 175.650 176.300 -0.072 0.000 1.027 21 D CA -0.364 53.595 54.000 -0.069 0.000 0.861 21 D CB 1.004 41.774 40.800 -0.051 0.000 1.202 21 D HN -0.060 nan 8.370 nan 0.000 0.453 22 N N 1.788 120.451 118.700 -0.061 0.000 2.249 22 N HA 0.341 5.081 4.740 -0.001 0.000 0.296 22 N C -2.790 172.716 175.510 -0.006 0.000 1.051 22 N CA -1.447 51.565 53.050 -0.063 0.000 0.815 22 N CB 2.119 40.560 38.487 -0.077 0.000 1.487 22 N HN 0.086 nan 8.380 nan 0.000 0.475 23 P HA 0.125 nan 4.420 nan 0.000 0.271 23 P C 0.677 178.101 177.300 0.208 0.000 1.220 23 P CA -0.016 63.172 63.100 0.146 0.000 0.768 23 P CB 0.602 32.459 31.700 0.263 0.000 0.848 24 G N 1.988 110.877 108.800 0.147 0.000 3.126 24 G HA2 0.197 4.157 3.960 -0.001 0.000 0.224 24 G HA3 0.197 4.157 3.960 -0.001 0.000 0.224 24 G C -0.167 174.797 174.900 0.108 0.000 1.142 24 G CA 0.098 45.262 45.100 0.107 0.000 0.759 24 G HN 0.402 nan 8.290 nan 0.000 0.550 25 V N 0.341 120.345 119.914 0.150 0.000 2.495 25 V HA 0.552 4.672 4.120 -0.001 0.000 0.298 25 V C -1.270 174.854 176.094 0.050 0.000 1.031 25 V CA -1.070 61.277 62.300 0.079 0.000 0.871 25 V CB 1.502 33.353 31.823 0.047 0.000 0.988 25 V HN 0.260 nan 8.190 nan 0.000 0.432 26 Y N 4.940 125.065 120.300 -0.291 0.000 2.421 26 Y HA 0.603 5.152 4.550 -0.001 0.000 0.339 26 Y C 0.023 175.698 175.900 -0.374 0.000 0.996 26 Y CA -0.641 57.082 58.100 -0.628 0.000 1.046 26 Y CB 2.033 39.723 38.460 -1.283 0.000 1.226 26 Y HN 0.747 nan 8.280 nan 0.000 0.445 27 N N 2.767 120.824 118.700 -1.071 0.000 2.453 27 N HA 0.338 5.078 4.740 -0.001 0.000 0.267 27 N C 0.376 175.406 175.510 -0.799 0.000 1.482 27 N CA 0.078 52.679 53.050 -0.748 0.000 0.841 27 N CB 1.033 39.302 38.487 -0.364 0.000 1.408 27 N HN 1.003 nan 8.380 nan 0.000 0.490 28 G N -0.305 107.655 108.800 -1.401 0.000 2.284 28 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.216 28 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.216 28 G C -0.102 174.548 174.900 -0.417 0.000 1.009 28 G CA 0.169 44.861 45.100 -0.681 0.000 0.625 28 G HN 1.151 nan 8.290 nan 0.000 0.501 29 S N -0.900 114.519 115.700 -0.468 0.000 2.569 29 S HA 0.726 5.196 4.470 -0.001 0.000 0.280 29 S C -0.946 173.595 174.600 -0.098 0.000 1.111 29 S CA -0.879 57.256 58.200 -0.108 0.000 0.887 29 S CB 1.769 64.964 63.200 -0.009 0.000 1.095 29 S HN 0.554 nan 8.310 nan 0.000 0.476 30 W N 0.528 121.935 121.300 0.178 0.000 2.381 30 W HA 0.735 5.395 4.660 -0.001 0.000 0.329 30 W C 0.867 177.434 176.519 0.081 0.000 1.157 30 W CA 0.607 58.058 57.345 0.178 0.000 1.240 30 W CB 1.593 31.148 29.460 0.158 0.000 1.199 30 W HN 1.273 nan 8.180 nan 0.000 0.579 31 G N -0.283 108.705 108.800 0.314 0.000 2.392 31 G HA2 0.543 4.503 3.960 -0.001 0.000 0.260 31 G HA3 0.543 4.503 3.960 -0.001 0.000 0.260 31 G C -0.618 174.366 174.900 0.140 0.000 1.226 31 G CA 0.072 45.279 45.100 0.180 0.000 0.913 31 G HN 1.289 nan 8.290 nan 0.000 0.483 32 G N -1.960 106.893 108.800 0.088 0.000 2.801 32 G HA2 0.513 4.473 3.960 -0.001 0.000 0.648 32 G HA3 0.513 4.473 3.960 -0.001 0.000 0.648 32 G C -0.011 174.919 174.900 0.050 0.000 1.415 32 G CA 0.668 45.808 45.100 0.067 0.000 0.887 32 G HN 2.132 nan 8.290 nan 0.000 0.627 33 S N 0.465 116.189 115.700 0.039 0.000 3.082 33 S HA 0.609 5.078 4.470 -0.001 0.000 0.253 33 S C 1.146 175.761 174.600 0.024 0.000 0.961 33 S CA 0.783 59.001 58.200 0.029 0.000 1.129 33 S CB 0.507 63.723 63.200 0.027 0.000 1.083 33 S HN 1.855 nan 8.310 nan 0.000 0.605 34 G N 1.142 109.958 108.800 0.026 0.000 2.504 34 G HA2 0.459 4.419 3.960 -0.001 0.000 0.257 34 G HA3 0.459 4.419 3.960 -0.001 0.000 0.257 34 G C -0.405 174.503 174.900 0.015 0.000 1.451 34 G CA -0.769 44.343 45.100 0.021 0.000 1.059 34 G HN 0.478 nan 8.290 nan 0.000 0.550 35 E N -1.058 119.149 120.200 0.012 0.000 2.414 35 E HA 0.232 4.582 4.350 -0.001 0.000 0.263 35 E C -0.408 176.195 176.600 0.005 0.000 1.000 35 E CA -0.147 56.258 56.400 0.008 0.000 0.914 35 E CB 1.168 30.873 29.700 0.009 0.000 0.948 35 E HN 0.051 nan 8.360 nan 0.000 0.444 36 V N 5.612 125.527 119.914 0.002 0.000 2.408 36 V HA 0.203 4.323 4.120 -0.001 0.000 0.267 36 V C 0.239 176.329 176.094 -0.007 0.000 1.047 36 V CA -0.155 62.142 62.300 -0.006 0.000 0.937 36 V CB 0.526 32.343 31.823 -0.011 0.000 0.999 36 V HN 0.563 nan 8.190 nan 0.000 0.472 37 I N 4.107 124.669 120.570 -0.012 0.000 2.437 37 I HA 0.447 4.616 4.170 -0.001 0.000 0.298 37 I C 0.202 176.295 176.117 -0.040 0.000 0.984 37 I CA 0.075 61.370 61.300 -0.008 0.000 1.214 37 I CB 1.941 39.941 38.000 0.001 0.000 1.365 37 I HN 0.574 nan 8.210 nan 0.000 0.469 38 T N 5.073 119.601 114.554 -0.043 0.000 2.758 38 T HA 0.180 4.529 4.350 -0.001 0.000 0.285 38 T C -0.337 174.226 174.700 -0.228 0.000 0.981 38 T CA -0.301 61.692 62.100 -0.178 0.000 0.965 38 T CB 1.017 69.735 68.868 -0.250 0.000 0.927 38 T HN 0.531 nan 8.240 nan 0.000 0.448 39 S N 3.447 118.996 115.700 -0.252 0.000 2.465 39 S HA 0.463 4.932 4.470 -0.001 0.000 0.279 39 S C -0.935 173.496 174.600 -0.281 0.000 1.201 39 S CA -0.569 57.536 58.200 -0.158 0.000 1.053 39 S CB -0.074 63.073 63.200 -0.088 0.000 0.953 39 S HN 0.497 nan 8.310 nan 0.000 0.488 40 Y N 2.514 122.763 120.300 -0.085 0.000 2.361 40 Y HA 0.392 4.941 4.550 -0.001 0.000 0.332 40 Y C 0.752 176.597 175.900 -0.091 0.000 1.101 40 Y CA -0.811 57.232 58.100 -0.095 0.000 1.137 40 Y CB 0.995 39.392 38.460 -0.105 0.000 1.207 40 Y HN 0.676 nan 8.280 nan 0.000 0.463 41 C N 7.074 126.417 119.300 0.071 0.000 2.442 41 C HA 0.244 4.704 4.460 -0.001 0.000 0.362 41 C C -1.021 173.994 174.990 0.041 0.000 1.242 41 C CA -1.965 57.084 59.018 0.050 0.000 1.741 41 C CB -0.386 27.375 27.740 0.036 0.000 2.378 41 C HN 0.677 nan 8.230 nan 0.000 0.549 42 P HA -0.013 nan 4.420 nan 0.000 0.234 42 P C 1.041 178.294 177.300 -0.078 0.000 1.167 42 P CA 1.317 64.366 63.100 -0.086 0.000 0.763 42 P CB 0.031 31.644 31.700 -0.146 0.000 0.835 43 A N 1.069 123.901 122.820 0.020 0.000 2.072 43 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 43 A C 1.490 179.206 177.584 0.219 0.000 1.156 43 A CA 1.304 53.420 52.037 0.132 0.000 0.701 43 A CB -0.677 18.448 19.000 0.208 0.000 0.816 43 A HN 0.372 nan 8.150 nan 0.000 0.458 44 N N -3.355 115.424 118.700 0.130 0.000 1.986 44 N HA 0.036 4.776 4.740 -0.001 0.000 0.227 44 N C -0.131 175.424 175.510 0.075 0.000 1.387 44 N CA 0.349 53.468 53.050 0.114 0.000 0.810 44 N CB -1.062 37.490 38.487 0.109 0.000 1.140 44 N HN 0.288 nan 8.380 nan 0.000 0.504 45 N N 0.118 118.854 118.700 0.060 0.000 2.708 45 N HA -0.185 4.555 4.740 -0.001 0.000 0.251 45 N C -1.288 174.315 175.510 0.155 0.000 1.123 45 N CA 0.945 54.026 53.050 0.051 0.000 0.739 45 N CB -0.563 37.907 38.487 -0.029 0.000 1.113 45 N HN 0.424 nan 8.380 nan 0.000 0.561 46 E N 0.560 120.842 120.200 0.137 0.000 2.266 46 E HA 0.242 4.592 4.350 -0.001 0.000 0.277 46 E C -2.209 174.422 176.600 0.052 0.000 1.018 46 E CA -1.766 54.694 56.400 0.101 0.000 0.840 46 E CB 0.709 30.411 29.700 0.002 0.000 1.082 46 E HN 0.127 nan 8.360 nan 0.000 0.395 47 P HA 0.155 nan 4.420 nan 0.000 0.276 47 P C 0.423 177.515 177.300 -0.346 0.000 1.230 47 P CA 0.117 62.926 63.100 -0.485 0.000 0.776 47 P CB 0.909 32.317 31.700 -0.488 0.000 0.888 48 I N 1.667 122.022 120.570 -0.359 0.000 2.499 48 I HA 0.223 4.393 4.170 -0.001 0.000 0.243 48 I C 1.197 177.150 176.117 -0.274 0.000 1.085 48 I CA 0.873 61.989 61.300 -0.306 0.000 1.422 48 I CB -0.143 37.715 38.000 -0.237 0.000 1.165 48 I HN 0.418 nan 8.210 nan 0.000 0.440 49 A N 0.028 122.698 122.820 -0.251 0.000 2.515 49 A HA 0.677 4.997 4.320 -0.001 0.000 0.292 49 A C -1.160 176.315 177.584 -0.182 0.000 1.065 49 A CA -0.706 51.211 52.037 -0.200 0.000 0.641 49 A CB 0.984 19.883 19.000 -0.170 0.000 1.306 49 A HN 0.056 nan 8.150 nan 0.000 0.441 50 R N -0.597 119.820 120.500 -0.139 0.000 2.732 50 R HA 0.755 5.094 4.340 -0.001 0.000 0.278 50 R C -1.411 174.842 176.300 -0.079 0.000 0.976 50 R CA -0.766 55.268 56.100 -0.110 0.000 0.963 50 R CB 2.151 32.395 30.300 -0.093 0.000 1.150 50 R HN 0.447 nan 8.270 nan 0.000 0.478 51 V N 1.203 121.082 119.914 -0.058 0.000 2.638 51 V HA 0.264 4.383 4.120 -0.001 0.000 0.306 51 V C -0.470 175.613 176.094 -0.018 0.000 1.052 51 V CA -0.831 61.448 62.300 -0.035 0.000 0.885 51 V CB 2.312 34.114 31.823 -0.035 0.000 0.999 51 V HN 0.794 nan 8.190 nan 0.000 0.424 52 T N 4.956 119.510 114.554 -0.000 0.000 2.727 52 T HA 0.376 4.725 4.350 -0.001 0.000 0.298 52 T C 0.038 174.751 174.700 0.022 0.000 0.942 52 T CA -0.254 61.852 62.100 0.011 0.000 0.997 52 T CB 0.598 69.477 68.868 0.019 0.000 0.917 52 T HN 0.665 nan 8.240 nan 0.000 0.487 53 Q N 1.290 121.098 119.800 0.013 0.000 2.414 53 Q HA 0.610 4.949 4.340 -0.001 0.000 0.206 53 Q C 0.324 176.341 176.000 0.027 0.000 1.058 53 Q CA -0.803 55.008 55.803 0.013 0.000 1.025 53 Q CB 0.573 29.313 28.738 0.003 0.000 1.196 53 Q HN 0.795 nan 8.270 nan 0.000 0.586 54 A N 0.609 123.448 122.820 0.032 0.000 2.302 54 A HA 0.434 4.754 4.320 -0.001 0.000 0.285 54 A C 0.017 177.629 177.584 0.047 0.000 1.105 54 A CA -0.459 51.608 52.037 0.050 0.000 0.816 54 A CB 0.363 19.408 19.000 0.076 0.000 1.067 54 A HN 0.688 nan 8.150 nan 0.000 0.489 55 T N -0.079 114.506 114.554 0.053 0.000 2.874 55 T HA 0.413 4.763 4.350 -0.001 0.000 0.281 55 T C 1.086 175.833 174.700 0.079 0.000 0.994 55 T CA -0.493 61.637 62.100 0.050 0.000 1.015 55 T CB 0.562 69.455 68.868 0.042 0.000 1.028 55 T HN 0.320 nan 8.240 nan 0.000 0.523 56 L N 1.489 122.754 121.223 0.069 0.000 2.042 56 L HA -0.019 4.320 4.340 -0.001 0.000 0.210 56 L C 3.021 179.981 176.870 0.150 0.000 1.076 56 L CA 2.301 57.206 54.840 0.108 0.000 0.749 56 L CB -1.099 40.999 42.059 0.066 0.000 0.893 56 L HN 0.992 nan 8.230 nan 0.000 0.432 57 A N -1.025 121.849 122.820 0.089 0.000 1.940 57 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 57 A C 2.211 179.827 177.584 0.054 0.000 1.176 57 A CA 1.959 54.035 52.037 0.064 0.000 0.631 57 A CB -0.475 18.550 19.000 0.040 0.000 0.814 57 A HN 0.536 nan 8.150 nan 0.000 0.446 58 E N -1.989 118.250 120.200 0.065 0.000 2.158 58 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 58 E C 1.782 178.415 176.600 0.055 0.000 0.982 58 E CA 1.025 57.452 56.400 0.045 0.000 0.823 58 E CB -0.267 29.461 29.700 0.046 0.000 0.766 58 E HN 0.811 nan 8.360 nan 0.000 0.468 59 Y N 2.247 122.546 120.300 -0.001 0.000 2.114 59 Y HA -0.303 4.247 4.550 -0.001 0.000 0.284 59 Y C 2.303 178.204 175.900 0.000 0.000 1.143 59 Y CA 2.118 60.219 58.100 0.001 0.000 1.135 59 Y CB -0.206 38.260 38.460 0.010 0.000 0.980 59 Y HN -0.057 nan 8.280 nan 0.000 0.499 60 E N 0.785 120.950 120.200 -0.059 0.000 2.065 60 E HA -0.307 4.043 4.350 -0.001 0.000 0.201 60 E C 2.210 178.702 176.600 -0.180 0.000 1.016 60 E CA 2.245 58.563 56.400 -0.137 0.000 0.818 60 E CB -0.585 29.131 29.700 0.027 0.000 0.749 60 E HN 0.694 nan 8.360 nan 0.000 0.453 61 E N -1.219 118.916 120.200 -0.109 0.000 2.150 61 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 61 E C 1.726 178.244 176.600 -0.137 0.000 0.985 61 E CA 1.512 57.854 56.400 -0.097 0.000 0.814 61 E CB -0.041 29.624 29.700 -0.058 0.000 0.752 61 E HN 0.347 nan 8.360 nan 0.000 0.466 62 T N 0.284 114.732 114.554 -0.177 0.000 2.821 62 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 62 T C 1.899 176.470 174.700 -0.214 0.000 1.046 62 T CA 0.987 62.975 62.100 -0.187 0.000 1.139 62 T CB -0.031 68.743 68.868 -0.157 0.000 0.871 62 T HN 0.020 nan 8.240 nan 0.000 0.454 63 V N 1.457 121.173 119.914 -0.329 0.000 2.343 63 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 63 V C 2.580 178.585 176.094 -0.148 0.000 1.051 63 V CA 1.620 63.753 62.300 -0.277 0.000 1.036 63 V CB -0.627 30.955 31.823 -0.403 0.000 0.654 63 V HN 0.496 nan 8.190 nan 0.000 0.451 64 Q N -0.306 119.416 119.800 -0.130 0.000 2.050 64 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 64 Q C 2.361 178.331 176.000 -0.050 0.000 0.980 64 Q CA 1.654 57.414 55.803 -0.071 0.000 0.840 64 Q CB -0.182 28.520 28.738 -0.060 0.000 0.898 64 Q HN 0.535 nan 8.270 nan 0.000 0.424 65 K N -0.424 119.932 120.400 -0.073 0.000 2.097 65 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 65 K C 2.153 178.725 176.600 -0.046 0.000 1.049 65 K CA 1.448 57.695 56.287 -0.067 0.000 0.933 65 K CB -0.005 32.429 32.500 -0.110 0.000 0.717 65 K HN 0.109 nan 8.250 nan 0.000 0.442 66 T N 0.452 114.975 114.554 -0.051 0.000 2.674 66 T HA -0.090 4.260 4.350 -0.001 0.000 0.265 66 T C 1.755 176.496 174.700 0.067 0.000 1.039 66 T CA 0.986 63.082 62.100 -0.007 0.000 1.150 66 T CB -0.022 68.833 68.868 -0.023 0.000 0.864 66 T HN 0.085 nan 8.240 nan 0.000 0.427 67 R N 0.991 121.518 120.500 0.044 0.000 2.117 67 R HA -0.046 4.293 4.340 -0.001 0.000 0.243 67 R C 2.332 178.737 176.300 0.175 0.000 1.143 67 R CA 1.296 57.450 56.100 0.089 0.000 0.968 67 R CB -0.714 29.599 30.300 0.022 0.000 0.863 67 R HN 0.398 nan 8.270 nan 0.000 0.444 68 E N 0.269 120.533 120.200 0.108 0.000 2.072 68 E HA -0.012 4.337 4.350 -0.001 0.000 0.190 68 E C 1.763 178.440 176.600 0.128 0.000 0.982 68 E CA 1.367 57.831 56.400 0.106 0.000 0.803 68 E CB -0.199 29.530 29.700 0.048 0.000 0.755 68 E HN 0.279 nan 8.360 nan 0.000 0.453 69 A N -0.205 122.683 122.820 0.114 0.000 1.933 69 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 69 A C 2.093 179.803 177.584 0.210 0.000 1.175 69 A CA 1.435 53.539 52.037 0.112 0.000 0.628 69 A CB -1.260 17.765 19.000 0.043 0.000 0.814 69 A HN 0.601 nan 8.150 nan 0.000 0.444 70 W N 1.021 122.381 121.300 0.100 0.000 2.338 70 W HA -0.215 4.444 4.660 -0.000 0.000 0.304 70 W C 2.019 178.642 176.519 0.174 0.000 1.212 70 W CA 2.225 59.676 57.345 0.178 0.000 1.264 70 W CB -0.097 29.445 29.460 0.137 0.000 1.142 70 W HN 0.281 nan 8.180 nan 0.000 0.512 71 K N -0.372 120.138 120.400 0.184 0.000 2.034 71 K HA -0.303 4.017 4.320 -0.001 0.000 0.214 71 K C 2.008 178.515 176.600 -0.155 0.000 1.051 71 K CA 2.868 59.141 56.287 -0.024 0.000 0.931 71 K CB -0.671 31.890 32.500 0.102 0.000 0.715 71 K HN 0.339 nan 8.250 nan 0.000 0.446 72 M N -0.833 118.746 119.600 -0.034 0.000 2.254 72 M HA -0.076 4.403 4.480 -0.001 0.000 0.265 72 M C 1.852 178.138 176.300 -0.025 0.000 1.066 72 M CA 1.360 56.646 55.300 -0.023 0.000 1.123 72 M CB -0.853 31.770 32.600 0.038 0.000 1.388 72 M HN 0.301 nan 8.290 nan 0.000 0.425 73 W N 1.497 122.672 121.300 -0.210 0.000 2.381 73 W HA -0.038 4.622 4.660 -0.001 0.000 0.301 73 W C 1.938 178.275 176.519 -0.304 0.000 1.205 73 W CA 1.700 58.927 57.345 -0.197 0.000 1.285 73 W CB -0.199 29.194 29.460 -0.110 0.000 1.133 73 W HN 0.423 nan 8.180 nan 0.000 0.521 74 A N 0.385 122.840 122.820 -0.608 0.000 2.070 74 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 74 A C 1.415 178.697 177.584 -0.503 0.000 1.159 74 A CA 1.886 53.473 52.037 -0.749 0.000 0.656 74 A CB -0.775 17.398 19.000 -1.380 0.000 0.800 74 A HN 0.217 nan 8.150 nan 0.000 0.453 75 D N -0.430 119.729 120.400 -0.401 0.000 2.347 75 D HA 0.108 4.748 4.640 -0.001 0.000 0.213 75 D C 0.358 176.505 176.300 -0.254 0.000 0.985 75 D CA 0.333 54.172 54.000 -0.269 0.000 0.879 75 D CB -0.021 40.665 40.800 -0.189 0.000 0.919 75 D HN 0.453 nan 8.370 nan 0.000 0.526 76 I N 2.360 122.722 120.570 -0.347 0.000 2.352 76 I HA 0.134 4.304 4.170 -0.001 0.000 0.290 76 I C -2.072 173.824 176.117 -0.367 0.000 1.036 76 I CA -1.983 59.111 61.300 -0.343 0.000 1.336 76 I CB 0.969 38.713 38.000 -0.426 0.000 1.407 76 I HN -0.343 nan 8.210 nan 0.000 0.497 77 P HA -0.094 nan 4.420 nan 0.000 0.266 77 P C 0.409 177.561 177.300 -0.246 0.000 1.186 77 P CA 0.184 63.157 63.100 -0.212 0.000 0.767 77 P CB 0.738 32.347 31.700 -0.152 0.000 0.820 78 A N 5.820 128.509 122.820 -0.217 0.000 1.908 78 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 78 A C -0.461 177.014 177.584 -0.181 0.000 1.181 78 A CA 1.855 53.762 52.037 -0.218 0.000 0.627 78 A CB -2.367 16.515 19.000 -0.196 0.000 0.818 78 A HN 0.482 nan 8.150 nan 0.000 0.445 79 P HA -0.124 nan 4.420 nan 0.000 0.218 79 P C 1.210 178.448 177.300 -0.104 0.000 1.149 79 P CA 1.380 64.409 63.100 -0.120 0.000 0.817 79 P CB -0.022 31.616 31.700 -0.104 0.000 0.785 80 K N -0.606 119.720 120.400 -0.122 0.000 2.217 80 K HA -0.017 4.303 4.320 -0.001 0.000 0.202 80 K C 2.175 178.715 176.600 -0.100 0.000 1.051 80 K CA 0.842 57.068 56.287 -0.102 0.000 0.952 80 K CB -0.097 32.336 32.500 -0.112 0.000 0.736 80 K HN 0.076 nan 8.250 nan 0.000 0.453 81 R N -0.238 120.146 120.500 -0.193 0.000 2.092 81 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 81 R C 2.411 178.734 176.300 0.037 0.000 1.119 81 R CA 1.243 57.250 56.100 -0.154 0.000 0.970 81 R CB -0.395 29.678 30.300 -0.378 0.000 0.864 81 R HN 0.247 nan 8.270 nan 0.000 0.440 82 G N 1.287 110.068 108.800 -0.031 0.000 2.422 82 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.218 82 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.218 82 G C 1.327 176.233 174.900 0.010 0.000 1.146 82 G CA 0.824 45.915 45.100 -0.015 0.000 0.769 82 G HN 0.260 nan 8.290 nan 0.000 0.547 83 E N 0.732 120.935 120.200 0.006 0.000 2.118 83 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 83 E C 2.418 179.048 176.600 0.051 0.000 0.992 83 E CA 0.728 57.139 56.400 0.018 0.000 0.804 83 E CB -0.282 29.423 29.700 0.007 0.000 0.741 83 E HN 0.330 nan 8.360 nan 0.000 0.458 84 I N 0.183 120.814 120.570 0.101 0.000 2.179 84 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 84 I C 2.411 178.587 176.117 0.099 0.000 1.088 84 I CA 0.787 62.168 61.300 0.136 0.000 1.357 84 I CB -1.378 36.788 38.000 0.276 0.000 1.051 84 I HN 0.060 nan 8.210 nan 0.000 0.409 85 V N 0.972 120.951 119.914 0.109 0.000 2.392 85 V HA -0.264 3.856 4.120 -0.001 0.000 0.249 85 V C 2.773 178.890 176.094 0.037 0.000 1.059 85 V CA 1.718 64.064 62.300 0.077 0.000 1.051 85 V CB -0.825 31.046 31.823 0.080 0.000 0.658 85 V HN 0.391 nan 8.190 nan 0.000 0.455 86 R N -0.313 120.204 120.500 0.027 0.000 2.091 86 R HA -0.229 4.110 4.340 -0.001 0.000 0.238 86 R C 2.417 178.717 176.300 -0.001 0.000 1.136 86 R CA 2.084 58.190 56.100 0.010 0.000 0.959 86 R CB -0.190 30.113 30.300 0.005 0.000 0.856 86 R HN 0.615 nan 8.270 nan 0.000 0.437 87 Q N -0.127 119.677 119.800 0.007 0.000 2.119 87 Q HA -0.102 4.238 4.340 -0.001 0.000 0.201 87 Q C 2.215 178.201 176.000 -0.022 0.000 0.972 87 Q CA 1.293 57.095 55.803 -0.001 0.000 0.847 87 Q CB -0.012 28.735 28.738 0.016 0.000 0.903 87 Q HN 0.420 nan 8.270 nan 0.000 0.433 88 I N 0.449 121.003 120.570 -0.027 0.000 2.208 88 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 88 I C 2.335 178.356 176.117 -0.159 0.000 1.097 88 I CA 1.255 62.506 61.300 -0.082 0.000 1.363 88 I CB -0.714 37.247 38.000 -0.065 0.000 1.051 88 I HN 0.300 nan 8.210 nan 0.000 0.413 89 G N 0.337 109.067 108.800 -0.118 0.000 2.440 89 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 89 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 89 G C 1.293 176.135 174.900 -0.097 0.000 1.154 89 G CA 1.157 46.186 45.100 -0.119 0.000 0.767 89 G HN 0.283 nan 8.290 nan 0.000 0.552 90 D N 0.527 120.890 120.400 -0.062 0.000 2.123 90 D HA 0.080 4.719 4.640 -0.001 0.000 0.200 90 D C 2.838 179.108 176.300 -0.049 0.000 0.976 90 D CA 1.040 55.013 54.000 -0.045 0.000 0.831 90 D CB -0.385 40.401 40.800 -0.025 0.000 0.974 90 D HN 0.260 nan 8.370 nan 0.000 0.469 91 A N 0.368 123.155 122.820 -0.056 0.000 1.933 91 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 91 A C 2.331 179.877 177.584 -0.063 0.000 1.175 91 A CA 0.949 52.958 52.037 -0.046 0.000 0.628 91 A CB -0.730 18.247 19.000 -0.039 0.000 0.814 91 A HN 0.231 nan 8.150 nan 0.000 0.444 92 L N -1.368 119.786 121.223 -0.115 0.000 2.056 92 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 92 L C 2.774 179.594 176.870 -0.083 0.000 1.078 92 L CA 1.520 56.281 54.840 -0.131 0.000 0.749 92 L CB -0.418 41.485 42.059 -0.260 0.000 0.901 92 L HN 0.380 nan 8.230 nan 0.000 0.433 93 R N 0.343 120.798 120.500 -0.075 0.000 2.091 93 R HA -0.191 4.149 4.340 -0.001 0.000 0.238 93 R C 2.311 178.590 176.300 -0.035 0.000 1.136 93 R CA 1.522 57.591 56.100 -0.052 0.000 0.959 93 R CB -0.036 30.238 30.300 -0.043 0.000 0.856 93 R HN 0.301 nan 8.270 nan 0.000 0.437 94 K N -0.026 120.358 120.400 -0.027 0.000 2.147 94 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 94 K C 1.267 177.865 176.600 -0.003 0.000 1.049 94 K CA 0.999 57.279 56.287 -0.012 0.000 0.936 94 K CB 0.100 32.596 32.500 -0.006 0.000 0.722 94 K HN 0.054 nan 8.250 nan 0.000 0.446 95 K N 0.772 121.168 120.400 -0.006 0.000 2.437 95 K HA 0.128 4.447 4.320 -0.001 0.000 0.205 95 K C 1.510 178.112 176.600 0.004 0.000 1.026 95 K CA -0.032 56.263 56.287 0.014 0.000 1.153 95 K CB 0.232 32.748 32.500 0.027 0.000 0.863 95 K HN 0.163 nan 8.250 nan 0.000 0.502 96 I N 1.501 122.058 120.570 -0.023 0.000 2.194 96 I HA -0.360 3.810 4.170 -0.001 0.000 0.246 96 I C 1.859 177.935 176.117 -0.069 0.000 1.093 96 I CA 1.721 62.990 61.300 -0.051 0.000 1.355 96 I CB 0.227 38.187 38.000 -0.067 0.000 1.046 96 I HN 0.122 nan 8.210 nan 0.000 0.413 97 K N -0.005 120.368 120.400 -0.044 0.000 2.001 97 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 97 K C 1.968 178.543 176.600 -0.041 0.000 1.048 97 K CA 2.043 58.308 56.287 -0.036 0.000 0.932 97 K CB -0.390 32.109 32.500 -0.003 0.000 0.715 97 K HN 0.442 nan 8.250 nan 0.000 0.437 98 V N -0.109 119.808 119.914 0.005 0.000 2.427 98 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 98 V C 2.129 178.308 176.094 0.142 0.000 1.051 98 V CA 1.214 63.556 62.300 0.070 0.000 1.048 98 V CB -0.665 31.293 31.823 0.226 0.000 0.666 98 V HN 0.126 nan 8.190 nan 0.000 0.456 99 L N 2.480 123.760 121.223 0.095 0.000 2.072 99 L HA 0.242 4.581 4.340 -0.001 0.000 0.205 99 L C 2.475 179.379 176.870 0.056 0.000 1.079 99 L CA 2.205 57.108 54.840 0.105 0.000 0.752 99 L CB -1.401 40.701 42.059 0.071 0.000 0.906 99 L HN 0.323 nan 8.230 nan 0.000 0.436 100 G N -1.527 107.243 108.800 -0.049 0.000 2.440 100 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.218 100 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.218 100 G C 1.624 176.456 174.900 -0.114 0.000 1.154 100 G CA 0.951 45.952 45.100 -0.164 0.000 0.767 100 G HN 0.460 nan 8.290 nan 0.000 0.552 101 S N 0.120 115.775 115.700 -0.075 0.000 2.368 101 S HA -0.115 4.354 4.470 -0.001 0.000 0.225 101 S C 2.178 176.954 174.600 0.294 0.000 1.030 101 S CA 1.185 59.349 58.200 -0.060 0.000 0.999 101 S CB -0.287 62.634 63.200 -0.464 0.000 0.844 101 S HN 0.275 nan 8.310 nan 0.000 0.459 102 L N 1.981 123.442 121.223 0.396 0.000 2.046 102 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 102 L C 2.154 179.180 176.870 0.260 0.000 1.077 102 L CA 1.612 56.716 54.840 0.439 0.000 0.747 102 L CB -0.872 41.402 42.059 0.358 0.000 0.896 102 L HN 0.135 nan 8.230 nan 0.000 0.432 103 V N -0.915 119.095 119.914 0.159 0.000 2.287 103 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 103 V C 2.782 178.935 176.094 0.098 0.000 1.053 103 V CA 1.949 64.306 62.300 0.095 0.000 1.027 103 V CB -1.092 30.743 31.823 0.019 0.000 0.646 103 V HN 0.666 nan 8.190 nan 0.000 0.447 104 S N -0.274 115.483 115.700 0.094 0.000 2.370 104 S HA -0.218 4.251 4.470 -0.001 0.000 0.226 104 S C 1.935 176.662 174.600 0.211 0.000 1.033 104 S CA 2.164 60.434 58.200 0.117 0.000 1.011 104 S CB -0.354 62.907 63.200 0.102 0.000 0.852 104 S HN 0.438 nan 8.310 nan 0.000 0.457 105 L N 1.347 122.758 121.223 0.313 0.000 2.072 105 L HA 0.152 4.492 4.340 -0.001 0.000 0.205 105 L C 2.326 179.322 176.870 0.211 0.000 1.079 105 L CA 2.301 57.343 54.840 0.337 0.000 0.752 105 L CB -0.675 41.680 42.059 0.492 0.000 0.906 105 L HN 0.423 nan 8.230 nan 0.000 0.436 106 E N -1.500 118.816 120.200 0.193 0.000 2.190 106 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 106 E C 2.060 178.794 176.600 0.223 0.000 0.978 106 E CA 0.542 57.038 56.400 0.160 0.000 0.839 106 E CB 0.040 29.824 29.700 0.140 0.000 0.787 106 E HN 0.441 nan 8.360 nan 0.000 0.473 107 M N -1.057 118.671 119.600 0.213 0.000 2.429 107 M HA 0.111 4.590 4.480 -0.001 0.000 0.265 107 M C 1.257 177.713 176.300 0.260 0.000 1.120 107 M CA 1.995 57.451 55.300 0.261 0.000 1.173 107 M CB 0.784 33.433 32.600 0.082 0.000 1.343 107 M HN 0.262 nan 8.290 nan 0.000 0.464 108 G N 1.685 110.560 108.800 0.125 0.000 2.205 108 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.180 108 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.180 108 G C 0.140 175.032 174.900 -0.012 0.000 1.004 108 G CA 0.313 45.446 45.100 0.054 0.000 0.670 108 G HN 0.586 nan 8.290 nan 0.000 0.496 109 K N 1.587 121.967 120.400 -0.033 0.000 2.168 109 K HA 0.611 4.931 4.320 -0.001 0.000 0.258 109 K C 1.182 177.758 176.600 -0.039 0.000 1.010 109 K CA -0.360 55.876 56.287 -0.086 0.000 0.929 109 K CB 1.355 33.756 32.500 -0.165 0.000 0.998 109 K HN 0.810 nan 8.250 nan 0.000 0.479 110 I N -0.351 120.196 120.570 -0.039 0.000 2.813 110 I HA -0.077 4.093 4.170 -0.001 0.000 0.287 110 I C 1.324 177.429 176.117 -0.021 0.000 1.196 110 I CA -0.613 60.692 61.300 0.010 0.000 1.421 110 I CB 0.266 38.280 38.000 0.023 0.000 1.365 110 I HN 0.800 nan 8.210 nan 0.000 0.591 111 Y N 4.694 124.913 120.300 -0.135 0.000 2.069 111 Y HA -0.288 4.262 4.550 -0.001 0.000 0.278 111 Y C 2.236 178.005 175.900 -0.218 0.000 1.175 111 Y CA 2.596 60.540 58.100 -0.260 0.000 1.134 111 Y CB -0.403 37.807 38.460 -0.417 0.000 0.965 111 Y HN 0.513 nan 8.280 nan 0.000 0.498 112 V N 0.616 120.389 119.914 -0.235 0.000 2.469 112 V HA -0.285 3.835 4.120 -0.001 0.000 0.251 112 V C 2.061 177.983 176.094 -0.286 0.000 1.064 112 V CA 2.603 64.718 62.300 -0.308 0.000 1.066 112 V CB -0.443 31.313 31.823 -0.112 0.000 0.667 112 V HN 0.605 nan 8.190 nan 0.000 0.461 113 E N -0.474 119.605 120.200 -0.202 0.000 2.216 113 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 113 E C 2.135 178.623 176.600 -0.187 0.000 0.988 113 E CA 0.844 57.150 56.400 -0.157 0.000 0.834 113 E CB -0.376 29.255 29.700 -0.116 0.000 0.772 113 E HN 0.712 nan 8.360 nan 0.000 0.479 114 G N 0.999 109.653 108.800 -0.245 0.000 2.421 114 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 114 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 114 G C 1.719 176.459 174.900 -0.267 0.000 1.171 114 G CA 0.584 45.546 45.100 -0.230 0.000 0.775 114 G HN 0.111 nan 8.290 nan 0.000 0.543 115 V N 1.578 121.231 119.914 -0.434 0.000 2.343 115 V HA -0.069 4.051 4.120 -0.001 0.000 0.247 115 V C 3.153 179.112 176.094 -0.224 0.000 1.051 115 V CA 1.999 64.067 62.300 -0.387 0.000 1.036 115 V CB -1.016 30.465 31.823 -0.570 0.000 0.654 115 V HN 0.442 nan 8.190 nan 0.000 0.451 116 G N -0.628 108.054 108.800 -0.197 0.000 2.440 116 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.218 116 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.218 116 G C 1.517 176.367 174.900 -0.083 0.000 1.154 116 G CA 1.068 46.098 45.100 -0.116 0.000 0.767 116 G HN 0.596 nan 8.290 nan 0.000 0.552 117 E N -0.075 120.080 120.200 -0.074 0.000 2.077 117 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 117 E C 2.614 179.172 176.600 -0.071 0.000 0.989 117 E CA 1.208 57.577 56.400 -0.051 0.000 0.800 117 E CB -0.122 29.573 29.700 -0.009 0.000 0.746 117 E HN 0.239 nan 8.360 nan 0.000 0.452 118 V N 0.959 120.839 119.914 -0.057 0.000 2.343 118 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 118 V C 2.519 178.597 176.094 -0.026 0.000 1.051 118 V CA 2.059 64.346 62.300 -0.022 0.000 1.036 118 V CB -0.678 31.116 31.823 -0.048 0.000 0.654 118 V HN 0.310 nan 8.190 nan 0.000 0.451 119 Q N 0.191 119.957 119.800 -0.057 0.000 2.135 119 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 119 Q C 2.187 178.173 176.000 -0.024 0.000 0.981 119 Q CA 1.733 57.510 55.803 -0.044 0.000 0.856 119 Q CB -0.288 28.417 28.738 -0.055 0.000 0.902 119 Q HN 0.644 nan 8.270 nan 0.000 0.425 120 E N -0.884 119.279 120.200 -0.062 0.000 2.058 120 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 120 E C 1.769 178.336 176.600 -0.055 0.000 0.997 120 E CA 1.250 57.589 56.400 -0.101 0.000 0.801 120 E CB -0.470 29.031 29.700 -0.332 0.000 0.746 120 E HN 0.440 nan 8.360 nan 0.000 0.450 121 Y N 1.844 122.014 120.300 -0.218 0.000 2.145 121 Y HA -0.188 4.361 4.550 -0.001 0.000 0.286 121 Y C 2.414 178.271 175.900 -0.073 0.000 1.145 121 Y CA 0.567 58.567 58.100 -0.167 0.000 1.148 121 Y CB -0.647 37.723 38.460 -0.149 0.000 0.981 121 Y HN -0.218 nan 8.280 nan 0.000 0.507 122 V N 0.621 120.585 119.914 0.083 0.000 2.252 122 V HA -0.334 3.786 4.120 -0.001 0.000 0.249 122 V C 2.191 178.318 176.094 0.055 0.000 1.056 122 V CA 2.344 64.646 62.300 0.004 0.000 1.022 122 V CB -0.682 31.122 31.823 -0.031 0.000 0.641 122 V HN 0.317 nan 8.190 nan 0.000 0.445 123 D N -0.502 119.937 120.400 0.064 0.000 2.144 123 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 123 D C 2.091 178.470 176.300 0.131 0.000 0.978 123 D CA 1.214 55.260 54.000 0.077 0.000 0.833 123 D CB -0.289 40.543 40.800 0.053 0.000 0.961 123 D HN 0.339 nan 8.370 nan 0.000 0.470 124 V N 0.284 120.299 119.914 0.168 0.000 2.667 124 V HA -0.191 3.929 4.120 -0.001 0.000 0.252 124 V C 2.280 178.511 176.094 0.228 0.000 1.065 124 V CA 1.121 63.559 62.300 0.230 0.000 1.083 124 V CB -0.243 31.758 31.823 0.297 0.000 0.692 124 V HN 0.257 nan 8.190 nan 0.000 0.468 125 C N 0.097 119.509 119.300 0.187 0.000 2.453 125 C HA -0.105 4.355 4.460 -0.001 0.000 0.277 125 C C 2.382 177.430 174.990 0.096 0.000 1.262 125 C CA 1.122 60.219 59.018 0.132 0.000 1.718 125 C CB -0.999 26.789 27.740 0.081 0.000 2.031 125 C HN 0.633 nan 8.230 nan 0.000 0.480 126 D N -0.658 119.799 120.400 0.095 0.000 2.144 126 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 126 D C 1.697 178.055 176.300 0.098 0.000 0.984 126 D CA 1.189 55.233 54.000 0.074 0.000 0.834 126 D CB -0.522 40.318 40.800 0.066 0.000 0.955 126 D HN 0.624 nan 8.370 nan 0.000 0.465 127 Y N 1.763 122.072 120.300 0.014 0.000 2.145 127 Y HA -0.178 4.371 4.550 -0.001 0.000 0.286 127 Y C 2.297 178.189 175.900 -0.014 0.000 1.145 127 Y CA 1.637 59.740 58.100 0.005 0.000 1.148 127 Y CB -0.427 38.045 38.460 0.021 0.000 0.981 127 Y HN -0.049 nan 8.280 nan 0.000 0.507 128 A N -0.786 122.040 122.820 0.010 0.000 1.972 128 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 128 A C 2.325 179.828 177.584 -0.135 0.000 1.169 128 A CA 1.800 53.780 52.037 -0.096 0.000 0.635 128 A CB -1.279 17.723 19.000 0.004 0.000 0.810 128 A HN 0.344 nan 8.150 nan 0.000 0.446 129 V N -0.043 119.823 119.914 -0.079 0.000 2.332 129 V HA -0.212 3.908 4.120 -0.001 0.000 0.248 129 V C 2.814 178.829 176.094 -0.131 0.000 1.055 129 V CA 1.966 64.218 62.300 -0.081 0.000 1.038 129 V CB -1.495 30.304 31.823 -0.039 0.000 0.651 129 V HN 0.603 nan 8.190 nan 0.000 0.450 130 G N -0.305 108.395 108.800 -0.167 0.000 2.446 130 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.217 130 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.217 130 G C 1.593 176.329 174.900 -0.272 0.000 1.168 130 G CA 0.915 45.892 45.100 -0.205 0.000 0.771 130 G HN 0.464 nan 8.290 nan 0.000 0.551 131 L N 1.601 122.599 121.223 -0.374 0.000 2.141 131 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 131 L C 3.235 179.890 176.870 -0.358 0.000 1.094 131 L CA 1.317 55.906 54.840 -0.418 0.000 0.763 131 L CB -0.365 41.407 42.059 -0.479 0.000 0.908 131 L HN 0.450 nan 8.230 nan 0.000 0.437 132 S N -0.214 115.327 115.700 -0.265 0.000 2.465 132 S HA -0.174 4.296 4.470 -0.001 0.000 0.241 132 S C 1.785 176.261 174.600 -0.207 0.000 1.000 132 S CA 0.800 58.867 58.200 -0.221 0.000 0.964 132 S CB -0.264 62.843 63.200 -0.155 0.000 0.763 132 S HN 0.466 nan 8.310 nan 0.000 0.512 133 R N -0.624 119.757 120.500 -0.199 0.000 2.432 133 R HA 0.441 4.781 4.340 -0.001 0.000 0.260 133 R C 1.130 177.324 176.300 -0.176 0.000 0.935 133 R CA 0.145 56.147 56.100 -0.163 0.000 1.080 133 R CB 0.108 30.333 30.300 -0.125 0.000 1.155 133 R HN 0.488 nan 8.270 nan 0.000 0.531 134 M N 0.230 119.683 119.600 -0.245 0.000 2.363 134 M HA 0.217 4.697 4.480 -0.001 0.000 0.243 134 M C 0.590 176.683 176.300 -0.345 0.000 1.364 134 M CA -0.029 55.122 55.300 -0.247 0.000 1.104 134 M CB 0.456 32.913 32.600 -0.239 0.000 1.570 134 M HN -0.013 nan 8.290 nan 0.000 0.564 135 I N 1.340 121.561 120.570 -0.582 0.000 2.906 135 I HA 0.410 4.579 4.170 -0.001 0.000 0.302 135 I C 0.283 176.074 176.117 -0.543 0.000 1.220 135 I CA 0.332 61.027 61.300 -1.008 0.000 1.441 135 I CB -0.485 36.727 38.000 -1.313 0.000 1.336 135 I HN 0.298 nan 8.210 nan 0.000 0.565 136 G N 3.200 111.758 108.800 -0.405 0.000 2.356 136 G HA2 0.473 4.433 3.960 -0.001 0.000 0.300 136 G HA3 0.473 4.433 3.960 -0.001 0.000 0.300 136 G C -0.895 174.227 174.900 0.372 0.000 1.331 136 G CA -0.425 44.749 45.100 0.125 0.000 0.905 136 G HN 1.052 nan 8.290 nan 0.000 0.587 137 G N -0.554 108.576 108.800 0.551 0.000 2.735 137 G HA2 0.877 4.837 3.960 -0.001 0.000 0.301 137 G HA3 0.877 4.837 3.960 -0.001 0.000 0.301 137 G C -2.523 172.535 174.900 0.265 0.000 1.279 137 G CA -1.156 44.254 45.100 0.516 0.000 1.019 137 G HN 0.643 nan 8.290 nan 0.000 0.497 138 P HA 0.283 nan 4.420 nan 0.000 0.275 138 P C -0.329 177.031 177.300 0.099 0.000 1.228 138 P CA -0.301 62.875 63.100 0.127 0.000 0.786 138 P CB 1.438 33.203 31.700 0.109 0.000 0.927 139 V N 3.630 123.587 119.914 0.072 0.000 2.488 139 V HA 0.171 4.291 4.120 -0.001 0.000 0.277 139 V C 0.699 176.824 176.094 0.053 0.000 1.046 139 V CA -0.093 62.240 62.300 0.056 0.000 0.986 139 V CB 0.126 31.974 31.823 0.041 0.000 0.989 139 V HN 0.355 nan 8.190 nan 0.000 0.475 140 L N 7.090 128.344 121.223 0.052 0.000 2.342 140 L HA 0.580 4.919 4.340 -0.001 0.000 0.271 140 L C -2.318 174.580 176.870 0.047 0.000 1.008 140 L CA -1.863 53.005 54.840 0.046 0.000 0.818 140 L CB 2.521 44.606 42.059 0.043 0.000 1.296 140 L HN 0.439 nan 8.230 nan 0.000 0.427 141 P HA 0.108 nan 4.420 nan 0.000 0.287 141 P C -0.566 176.756 177.300 0.037 0.000 1.307 141 P CA -0.265 62.860 63.100 0.042 0.000 0.777 141 P CB 1.537 33.256 31.700 0.033 0.000 0.883 142 S N 2.025 117.754 115.700 0.049 0.000 2.576 142 S HA 0.042 4.512 4.470 -0.001 0.000 0.276 142 S C 1.341 175.942 174.600 0.002 0.000 1.339 142 S CA -0.410 57.809 58.200 0.031 0.000 1.039 142 S CB 0.364 63.603 63.200 0.065 0.000 0.902 142 S HN 0.561 nan 8.310 nan 0.000 0.516 143 E N 3.020 123.202 120.200 -0.030 0.000 2.481 143 E HA 0.005 4.355 4.350 -0.001 0.000 0.195 143 E C -0.052 176.496 176.600 -0.087 0.000 1.047 143 E CA 0.227 56.599 56.400 -0.047 0.000 0.867 143 E CB 0.075 29.746 29.700 -0.048 0.000 0.858 143 E HN 0.513 nan 8.360 nan 0.000 0.513 144 R N 2.060 122.472 120.500 -0.146 0.000 2.294 144 R HA 0.352 4.691 4.340 -0.001 0.000 0.319 144 R C -2.546 173.676 176.300 -0.131 0.000 0.984 144 R CA -2.388 53.547 56.100 -0.275 0.000 0.861 144 R CB 0.752 30.598 30.300 -0.757 0.000 1.104 144 R HN 0.005 nan 8.270 nan 0.000 0.451 145 P HA 0.003 nan 4.420 nan 0.000 0.268 145 P C 0.463 177.784 177.300 0.036 0.000 1.204 145 P CA 0.461 63.560 63.100 -0.002 0.000 0.768 145 P CB 0.691 32.383 31.700 -0.014 0.000 0.842 146 G N 1.129 109.896 108.800 -0.055 0.000 2.273 146 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.280 146 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.280 146 G C -0.382 174.005 174.900 -0.855 0.000 1.047 146 G CA 0.026 44.821 45.100 -0.509 0.000 0.869 146 G HN 0.683 nan 8.290 nan 0.000 0.502 147 H N -0.442 118.414 119.070 -0.356 0.000 2.589 147 H HA 0.697 5.252 4.556 -0.001 0.000 0.351 147 H C 0.359 175.787 175.328 0.166 0.000 1.074 147 H CA 0.259 56.232 56.048 -0.124 0.000 1.203 147 H CB 1.793 31.506 29.762 -0.082 0.000 1.558 147 H HN 0.583 nan 8.280 nan 0.000 0.522 148 A N 2.847 125.879 122.820 0.354 0.000 2.306 148 A HA 0.573 4.893 4.320 -0.001 0.000 0.314 148 A C -1.058 176.615 177.584 0.148 0.000 1.164 148 A CA -0.490 51.691 52.037 0.239 0.000 0.822 148 A CB 0.397 19.503 19.000 0.178 0.000 1.130 148 A HN 0.506 nan 8.150 nan 0.000 0.496 149 L N 3.982 125.269 121.223 0.106 0.000 2.372 149 L HA 0.760 5.099 4.340 -0.001 0.000 0.274 149 L C -0.690 176.212 176.870 0.055 0.000 0.988 149 L CA -0.373 54.511 54.840 0.073 0.000 0.833 149 L CB 1.192 43.289 42.059 0.062 0.000 1.236 149 L HN 0.690 nan 8.230 nan 0.000 0.410 150 I N 0.576 121.171 120.570 0.042 0.000 2.730 150 I HA 0.617 4.787 4.170 -0.001 0.000 0.298 150 I C -0.996 175.134 176.117 0.022 0.000 1.089 150 I CA -0.693 60.630 61.300 0.039 0.000 1.041 150 I CB 2.240 40.263 38.000 0.038 0.000 1.235 150 I HN 0.685 nan 8.210 nan 0.000 0.423 151 E N 4.343 124.568 120.200 0.041 0.000 2.115 151 E HA 0.266 4.616 4.350 -0.001 0.000 0.282 151 E C -1.120 175.491 176.600 0.017 0.000 0.987 151 E CA -0.637 55.764 56.400 0.002 0.000 0.797 151 E CB 1.066 30.805 29.700 0.065 0.000 1.086 151 E HN 0.518 nan 8.360 nan 0.000 0.397 152 Q N 3.458 123.198 119.800 -0.100 0.000 2.274 152 Q HA 0.269 4.608 4.340 -0.001 0.000 0.260 152 Q C -1.316 174.579 176.000 -0.175 0.000 0.974 152 Q CA -0.388 55.395 55.803 -0.033 0.000 0.876 152 Q CB 1.442 30.168 28.738 -0.019 0.000 1.297 152 Q HN 0.508 nan 8.270 nan 0.000 0.446 153 W N 1.769 123.142 121.300 0.122 0.000 2.632 153 W HA 0.453 5.112 4.660 -0.001 0.000 0.328 153 W C 0.166 176.768 176.519 0.137 0.000 1.044 153 W CA -0.425 57.027 57.345 0.177 0.000 1.225 153 W CB 1.334 30.994 29.460 0.333 0.000 1.396 153 W HN 0.350 nan 8.180 nan 0.000 0.499 154 N N 2.398 121.311 118.700 0.355 0.000 2.284 154 N HA 0.416 5.156 4.740 -0.001 0.000 0.289 154 N C -2.871 172.834 175.510 0.325 0.000 1.179 154 N CA -1.864 51.349 53.050 0.271 0.000 0.774 154 N CB 2.317 40.919 38.487 0.192 0.000 1.548 154 N HN -0.121 nan 8.380 nan 0.000 0.473 155 P HA -0.047 nan 4.420 nan 0.000 0.265 155 P C 1.326 178.823 177.300 0.329 0.000 1.187 155 P CA -0.157 63.188 63.100 0.408 0.000 0.766 155 P CB 0.643 32.706 31.700 0.604 0.000 0.820 156 V N 0.682 120.746 119.914 0.250 0.000 2.667 156 V HA 0.182 4.302 4.120 -0.001 0.000 0.252 156 V C 1.225 177.277 176.094 -0.069 0.000 1.065 156 V CA 1.759 64.124 62.300 0.109 0.000 1.083 156 V CB -1.452 30.434 31.823 0.106 0.000 0.692 156 V HN 0.819 nan 8.190 nan 0.000 0.468 157 G N 0.793 109.526 108.800 -0.113 0.000 2.039 157 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.207 157 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.207 157 G C -0.616 174.090 174.900 -0.324 0.000 1.133 157 G CA -0.142 44.548 45.100 -0.683 0.000 1.296 157 G HN 0.974 nan 8.290 nan 0.000 0.459 158 L N 1.903 122.998 121.223 -0.214 0.000 2.275 158 L HA 0.822 5.162 4.340 -0.001 0.000 0.288 158 L C -0.178 176.727 176.870 0.058 0.000 1.046 158 L CA -0.868 53.958 54.840 -0.024 0.000 0.805 158 L CB 1.808 43.845 42.059 -0.036 0.000 1.193 158 L HN 0.532 nan 8.230 nan 0.000 0.426 159 V N 5.540 125.532 119.914 0.131 0.000 2.333 159 V HA 0.559 4.679 4.120 -0.001 0.000 0.274 159 V C 0.945 177.143 176.094 0.174 0.000 1.028 159 V CA -0.244 62.153 62.300 0.163 0.000 0.851 159 V CB 0.807 32.773 31.823 0.238 0.000 1.000 159 V HN 0.978 nan 8.190 nan 0.000 0.456 160 G N 5.475 114.375 108.800 0.165 0.000 2.380 160 G HA2 0.599 4.559 3.960 -0.001 0.000 0.262 160 G HA3 0.599 4.559 3.960 -0.001 0.000 0.262 160 G C -0.623 174.410 174.900 0.222 0.000 1.243 160 G CA -0.273 44.950 45.100 0.204 0.000 0.865 160 G HN 0.657 nan 8.290 nan 0.000 0.513 161 I N 2.485 123.223 120.570 0.280 0.000 2.439 161 I HA 0.324 4.493 4.170 -0.001 0.000 0.285 161 I C -0.451 175.879 176.117 0.355 0.000 1.021 161 I CA -0.437 61.035 61.300 0.286 0.000 1.091 161 I CB 1.952 40.111 38.000 0.264 0.000 1.242 161 I HN 0.235 nan 8.210 nan 0.000 0.439 162 I N 5.856 126.568 120.570 0.236 0.000 2.362 162 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 162 I C 0.300 176.402 176.117 -0.024 0.000 0.994 162 I CA -0.245 61.144 61.300 0.148 0.000 1.158 162 I CB 1.898 39.989 38.000 0.151 0.000 1.315 162 I HN 0.589 nan 8.210 nan 0.000 0.451 163 T N 2.651 117.258 114.554 0.088 0.000 2.942 163 T HA 0.851 5.201 4.350 -0.001 0.000 0.289 163 T C -0.093 174.589 174.700 -0.030 0.000 1.044 163 T CA -0.825 61.311 62.100 0.060 0.000 1.023 163 T CB 1.990 71.047 68.868 0.315 0.000 1.123 163 T HN 0.553 nan 8.240 nan 0.000 0.512 164 A N 0.837 123.622 122.820 -0.058 0.000 2.246 164 A HA 0.645 4.965 4.320 -0.001 0.000 0.291 164 A C 0.814 178.384 177.584 -0.023 0.000 1.103 164 A CA -0.795 51.190 52.037 -0.086 0.000 0.844 164 A CB -0.127 18.755 19.000 -0.196 0.000 1.136 164 A HN 1.097 nan 8.150 nan 0.000 0.500 165 F N 0.579 120.512 119.950 -0.029 0.000 2.293 165 F HA -0.050 4.476 4.527 -0.001 0.000 0.297 165 F C 1.755 177.454 175.800 -0.169 0.000 1.089 165 F CA 1.221 59.148 58.000 -0.122 0.000 1.377 165 F CB -0.603 38.240 39.000 -0.261 0.000 1.051 165 F HN 0.524 nan 8.300 nan 0.000 0.511 166 N N 0.521 118.725 118.700 -0.827 0.000 2.331 166 N HA -0.141 4.599 4.740 -0.001 0.000 0.180 166 N C -0.191 175.020 175.510 -0.497 0.000 1.019 166 N CA 0.810 53.494 53.050 -0.611 0.000 0.881 166 N CB -0.778 37.390 38.487 -0.531 0.000 0.972 166 N HN 0.405 nan 8.380 nan 0.000 0.435 167 F N 1.056 120.908 119.950 -0.163 0.000 2.550 167 F HA 0.421 4.948 4.527 -0.001 0.000 0.348 167 F C -1.679 174.083 175.800 -0.062 0.000 1.219 167 F CA -2.010 55.916 58.000 -0.123 0.000 1.203 167 F CB 1.936 40.831 39.000 -0.175 0.000 1.436 167 F HN -0.097 nan 8.300 nan 0.000 0.541 168 P HA -0.057 nan 4.420 nan 0.000 0.229 168 P C 1.181 178.644 177.300 0.271 0.000 1.160 168 P CA 0.970 64.186 63.100 0.192 0.000 0.777 168 P CB 0.781 32.570 31.700 0.149 0.000 0.814 169 V N 0.175 120.183 119.914 0.157 0.000 2.627 169 V HA 0.113 4.232 4.120 -0.001 0.000 0.239 169 V C 2.729 178.779 176.094 -0.074 0.000 1.077 169 V CA 1.460 63.843 62.300 0.139 0.000 1.103 169 V CB -1.317 30.590 31.823 0.140 0.000 0.802 169 V HN 0.009 nan 8.190 nan 0.000 0.482 170 A N 0.214 122.918 122.820 -0.194 0.000 1.898 170 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 170 A C 2.336 179.449 177.584 -0.784 0.000 1.181 170 A CA 2.060 53.730 52.037 -0.611 0.000 0.620 170 A CB -0.668 17.855 19.000 -0.795 0.000 0.819 170 A HN 0.289 nan 8.150 nan 0.000 0.442 171 V N -1.217 118.442 119.914 -0.425 0.000 2.261 171 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 171 V C 2.367 178.353 176.094 -0.179 0.000 1.047 171 V CA 2.220 64.421 62.300 -0.164 0.000 1.015 171 V CB -1.115 30.717 31.823 0.015 0.000 0.642 171 V HN 0.709 nan 8.190 nan 0.000 0.446 172 Y N 1.996 122.045 120.300 -0.418 0.000 2.114 172 Y HA -0.216 4.333 4.550 -0.001 0.000 0.282 172 Y C 2.335 177.787 175.900 -0.746 0.000 1.165 172 Y CA 1.792 59.452 58.100 -0.733 0.000 1.148 172 Y CB -1.043 36.562 38.460 -1.426 0.000 0.972 172 Y HN 0.183 nan 8.280 nan 0.000 0.504 173 G N -0.330 107.800 108.800 -1.115 0.000 2.459 173 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 173 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 173 G C 1.433 175.830 174.900 -0.839 0.000 1.183 173 G CA 0.955 44.966 45.100 -1.814 0.000 0.776 173 G HN 0.533 nan 8.290 nan 0.000 0.552 174 W N 1.451 122.421 121.300 -0.550 0.000 2.325 174 W HA -0.040 4.619 4.660 -0.001 0.000 0.299 174 W C 2.446 178.788 176.519 -0.296 0.000 1.215 174 W CA 1.031 58.182 57.345 -0.323 0.000 1.244 174 W CB -0.692 28.625 29.460 -0.238 0.000 1.140 174 W HN 0.261 nan 8.180 nan 0.000 0.523 175 N N -0.232 118.399 118.700 -0.116 0.000 2.207 175 N HA -0.142 4.598 4.740 -0.001 0.000 0.182 175 N C 1.462 176.789 175.510 -0.304 0.000 1.020 175 N CA 1.210 54.191 53.050 -0.115 0.000 0.858 175 N CB -0.749 37.727 38.487 -0.018 0.000 0.991 175 N HN 0.171 nan 8.380 nan 0.000 0.427 176 N N 1.436 119.796 118.700 -0.566 0.000 2.058 176 N HA -0.104 4.636 4.740 -0.001 0.000 0.191 176 N C 1.699 177.066 175.510 -0.238 0.000 1.037 176 N CA 1.783 54.512 53.050 -0.534 0.000 0.848 176 N CB -0.231 37.696 38.487 -0.934 0.000 1.021 176 N HN 0.171 nan 8.380 nan 0.000 0.422 177 A N 0.620 123.334 122.820 -0.176 0.000 1.883 177 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 177 A C 2.119 179.662 177.584 -0.068 0.000 1.186 177 A CA 1.388 53.412 52.037 -0.022 0.000 0.624 177 A CB -0.734 18.306 19.000 0.067 0.000 0.822 177 A HN 0.364 nan 8.150 nan 0.000 0.444 178 I N -0.232 120.231 120.570 -0.179 0.000 2.193 178 I HA -0.173 3.996 4.170 -0.001 0.000 0.240 178 I C 2.990 178.914 176.117 -0.321 0.000 1.084 178 I CA 1.353 62.481 61.300 -0.285 0.000 1.365 178 I CB -1.764 35.945 38.000 -0.485 0.000 1.064 178 I HN 0.354 nan 8.210 nan 0.000 0.410 179 A N 0.881 123.463 122.820 -0.397 0.000 1.883 179 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 179 A C 2.276 179.938 177.584 0.129 0.000 1.186 179 A CA 1.501 53.485 52.037 -0.088 0.000 0.624 179 A CB -0.872 18.168 19.000 0.067 0.000 0.822 179 A HN 0.301 nan 8.150 nan 0.000 0.444 180 L N -0.229 121.072 121.223 0.130 0.000 2.017 180 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 180 L C 2.740 179.817 176.870 0.346 0.000 1.073 180 L CA 2.506 57.551 54.840 0.342 0.000 0.745 180 L CB -1.365 40.839 42.059 0.241 0.000 0.894 180 L HN 0.395 nan 8.230 nan 0.000 0.432 181 T N -1.949 112.684 114.554 0.132 0.000 2.778 181 T HA -0.225 4.125 4.350 -0.001 0.000 0.269 181 T C 1.699 176.385 174.700 -0.023 0.000 1.050 181 T CA 1.559 63.668 62.100 0.016 0.000 1.137 181 T CB -0.506 68.323 68.868 -0.065 0.000 0.860 181 T HN 0.370 nan 8.240 nan 0.000 0.468 182 C N 1.133 120.461 119.300 0.046 0.000 2.613 182 C HA 0.505 4.965 4.460 -0.001 0.000 0.273 182 C C 2.029 177.113 174.990 0.157 0.000 1.304 182 C CA -0.413 58.658 59.018 0.089 0.000 1.702 182 C CB -1.475 26.378 27.740 0.189 0.000 1.792 182 C HN 0.821 nan 8.230 nan 0.000 0.588 183 G N 2.009 110.898 108.800 0.148 0.000 2.147 183 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.244 183 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.244 183 G C -0.252 174.956 174.900 0.513 0.000 1.005 183 G CA -0.102 45.055 45.100 0.095 0.000 0.713 183 G HN 0.550 nan 8.290 nan 0.000 0.515 184 N N -0.513 118.556 118.700 0.615 0.000 2.482 184 N HA 0.644 5.384 4.740 -0.001 0.000 0.279 184 N C 0.402 176.263 175.510 0.585 0.000 1.182 184 N CA 0.232 53.663 53.050 0.637 0.000 0.969 184 N CB 2.135 40.871 38.487 0.415 0.000 1.201 184 N HN 0.663 nan 8.380 nan 0.000 0.523 185 V N -2.093 118.094 119.914 0.455 0.000 2.630 185 V HA 0.631 4.751 4.120 -0.001 0.000 0.305 185 V C -0.030 176.157 176.094 0.154 0.000 1.046 185 V CA -0.814 61.606 62.300 0.200 0.000 0.934 185 V CB 1.032 32.978 31.823 0.205 0.000 1.003 185 V HN 0.603 nan 8.190 nan 0.000 0.451 186 C N 4.150 123.515 119.300 0.109 0.000 2.435 186 C HA 0.804 5.263 4.460 -0.001 0.000 0.333 186 C C -0.126 174.975 174.990 0.186 0.000 1.202 186 C CA -0.583 58.533 59.018 0.164 0.000 1.830 186 C CB 0.866 28.713 27.740 0.179 0.000 2.326 186 C HN 1.019 nan 8.230 nan 0.000 0.507 187 L N 2.502 123.863 121.223 0.229 0.000 2.406 187 L HA 0.597 4.936 4.340 -0.001 0.000 0.272 187 L C -1.665 175.427 176.870 0.370 0.000 0.980 187 L CA -0.066 54.923 54.840 0.249 0.000 0.831 187 L CB 1.001 43.172 42.059 0.186 0.000 1.253 187 L HN 0.816 nan 8.230 nan 0.000 0.406 188 W N 6.757 128.129 121.300 0.120 0.000 2.417 188 W HA 0.432 5.092 4.660 -0.001 0.000 0.315 188 W C -1.063 175.479 176.519 0.038 0.000 1.045 188 W CA -1.261 56.127 57.345 0.073 0.000 1.221 188 W CB 1.267 30.655 29.460 -0.120 0.000 1.309 188 W HN 0.374 nan 8.180 nan 0.000 0.453 189 K N 5.254 125.765 120.400 0.184 0.000 2.464 189 K HA 0.485 4.805 4.320 -0.001 0.000 0.252 189 K C 0.340 176.852 176.600 -0.147 0.000 1.000 189 K CA -0.370 55.874 56.287 -0.071 0.000 0.951 189 K CB 0.392 32.921 32.500 0.048 0.000 1.183 189 K HN 0.709 nan 8.250 nan 0.000 0.445 190 G N 1.834 110.299 108.800 -0.557 0.000 2.599 190 G HA2 0.404 4.364 3.960 -0.001 0.000 0.264 190 G HA3 0.404 4.364 3.960 -0.001 0.000 0.264 190 G C -0.410 174.428 174.900 -0.102 0.000 1.200 190 G CA -0.590 44.320 45.100 -0.316 0.000 0.896 190 G HN 0.723 nan 8.290 nan 0.000 0.536 191 A N 0.963 123.792 122.820 0.015 0.000 2.540 191 A HA 0.408 4.727 4.320 -0.001 0.000 0.239 191 A C -0.833 176.780 177.584 0.048 0.000 1.061 191 A CA -0.562 51.518 52.037 0.071 0.000 0.758 191 A CB 0.290 19.389 19.000 0.165 0.000 0.991 191 A HN 0.420 nan 8.150 nan 0.000 0.502 192 P HA -0.143 nan 4.420 nan 0.000 0.219 192 P C 1.385 178.718 177.300 0.056 0.000 1.146 192 P CA 2.080 65.202 63.100 0.038 0.000 0.808 192 P CB -0.024 31.704 31.700 0.047 0.000 0.779 193 T N -5.610 109.013 114.554 0.114 0.000 3.100 193 T HA 0.032 4.381 4.350 -0.001 0.000 0.253 193 T C 0.962 175.769 174.700 0.179 0.000 1.118 193 T CA 0.919 63.108 62.100 0.148 0.000 1.058 193 T CB -1.009 67.994 68.868 0.226 0.000 0.953 193 T HN 0.173 nan 8.240 nan 0.000 0.515 194 T N -0.848 113.788 114.554 0.137 0.000 3.448 194 T HA 0.398 4.748 4.350 -0.001 0.000 0.271 194 T C -1.701 173.006 174.700 0.012 0.000 1.002 194 T CA -1.107 61.056 62.100 0.106 0.000 0.995 194 T CB 0.954 69.903 68.868 0.136 0.000 1.153 194 T HN 0.060 nan 8.240 nan 0.000 0.510 195 P HA 0.057 nan 4.420 nan 0.000 0.221 195 P C 1.630 178.889 177.300 -0.068 0.000 1.150 195 P CA 0.353 63.404 63.100 -0.083 0.000 0.800 195 P CB 0.168 31.830 31.700 -0.063 0.000 0.787 196 L N -0.487 120.719 121.223 -0.028 0.000 2.046 196 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 196 L C 2.579 179.460 176.870 0.019 0.000 1.077 196 L CA 1.989 56.820 54.840 -0.014 0.000 0.747 196 L CB -1.778 40.273 42.059 -0.013 0.000 0.896 196 L HN 0.003 nan 8.230 nan 0.000 0.432 197 T N -1.024 113.558 114.554 0.047 0.000 2.746 197 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 197 T C 2.156 176.911 174.700 0.091 0.000 1.039 197 T CA 1.586 63.745 62.100 0.098 0.000 1.142 197 T CB -0.140 68.806 68.868 0.130 0.000 0.866 197 T HN 0.273 nan 8.240 nan 0.000 0.444 198 S N 0.969 116.621 115.700 -0.080 0.000 2.353 198 S HA -0.107 4.363 4.470 -0.001 0.000 0.222 198 S C 2.353 176.864 174.600 -0.148 0.000 1.035 198 S CA 1.072 59.021 58.200 -0.418 0.000 1.025 198 S CB -0.635 62.085 63.200 -0.799 0.000 0.902 198 S HN 0.284 nan 8.310 nan 0.000 0.440 199 V N 2.164 122.046 119.914 -0.053 0.000 2.287 199 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 199 V C 2.675 178.841 176.094 0.120 0.000 1.053 199 V CA 1.775 64.127 62.300 0.086 0.000 1.027 199 V CB -1.321 30.528 31.823 0.042 0.000 0.646 199 V HN 0.551 nan 8.190 nan 0.000 0.447 200 A N -0.279 122.592 122.820 0.085 0.000 1.883 200 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 200 A C 2.410 180.084 177.584 0.150 0.000 1.186 200 A CA 2.309 54.404 52.037 0.096 0.000 0.624 200 A CB -0.776 18.287 19.000 0.106 0.000 0.822 200 A HN 0.334 nan 8.150 nan 0.000 0.444 201 V N -0.294 119.755 119.914 0.225 0.000 2.261 201 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 201 V C 2.766 179.038 176.094 0.296 0.000 1.047 201 V CA 2.537 65.018 62.300 0.302 0.000 1.015 201 V CB -1.372 30.738 31.823 0.478 0.000 0.642 201 V HN 0.624 nan 8.190 nan 0.000 0.446 202 T N -0.601 114.149 114.554 0.326 0.000 2.699 202 T HA -0.289 4.061 4.350 -0.001 0.000 0.268 202 T C 1.952 176.779 174.700 0.212 0.000 1.036 202 T CA 1.855 64.114 62.100 0.265 0.000 1.147 202 T CB -0.259 68.747 68.868 0.230 0.000 0.862 202 T HN 0.404 nan 8.240 nan 0.000 0.446 203 K N 0.376 120.946 120.400 0.284 0.000 2.032 203 K HA -0.038 4.281 4.320 -0.001 0.000 0.209 203 K C 2.201 178.861 176.600 0.101 0.000 1.048 203 K CA 1.335 57.738 56.287 0.194 0.000 0.927 203 K CB -0.346 32.162 32.500 0.013 0.000 0.712 203 K HN 0.317 nan 8.250 nan 0.000 0.441 204 I N 0.242 120.867 120.570 0.092 0.000 2.163 204 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 204 I C 2.106 178.254 176.117 0.051 0.000 1.085 204 I CA 1.101 62.434 61.300 0.056 0.000 1.347 204 I CB -0.234 37.790 38.000 0.040 0.000 1.044 204 I HN -0.025 nan 8.210 nan 0.000 0.408 205 V N 0.912 120.878 119.914 0.086 0.000 2.358 205 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 205 V C 2.725 178.855 176.094 0.060 0.000 1.047 205 V CA 1.890 64.242 62.300 0.087 0.000 1.035 205 V CB -1.117 30.813 31.823 0.178 0.000 0.658 205 V HN 0.496 nan 8.190 nan 0.000 0.452 206 A N -0.372 122.459 122.820 0.017 0.000 1.917 206 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 206 A C 2.299 179.912 177.584 0.049 0.000 1.182 206 A CA 2.238 54.249 52.037 -0.043 0.000 0.633 206 A CB -0.575 18.163 19.000 -0.436 0.000 0.819 206 A HN 0.627 nan 8.150 nan 0.000 0.448 207 E N -0.332 119.899 120.200 0.053 0.000 2.077 207 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 207 E C 1.934 178.566 176.600 0.053 0.000 0.989 207 E CA 1.459 57.895 56.400 0.060 0.000 0.800 207 E CB -0.132 29.595 29.700 0.045 0.000 0.746 207 E HN 0.356 nan 8.360 nan 0.000 0.452 208 V N 1.371 121.311 119.914 0.042 0.000 2.295 208 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 208 V C 2.478 178.600 176.094 0.047 0.000 1.049 208 V CA 1.552 63.874 62.300 0.037 0.000 1.024 208 V CB -0.474 31.364 31.823 0.025 0.000 0.648 208 V HN 0.335 nan 8.190 nan 0.000 0.447 209 L N -0.357 120.895 121.223 0.048 0.000 2.012 209 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 209 L C 2.602 179.510 176.870 0.064 0.000 1.073 209 L CA 1.885 56.752 54.840 0.045 0.000 0.748 209 L CB -0.635 41.446 42.059 0.037 0.000 0.891 209 L HN 0.398 nan 8.230 nan 0.000 0.431 210 E N -0.689 119.560 120.200 0.082 0.000 2.072 210 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 210 E C 2.274 178.914 176.600 0.066 0.000 0.985 210 E CA 0.704 57.156 56.400 0.086 0.000 0.801 210 E CB -0.034 29.733 29.700 0.112 0.000 0.750 210 E HN 0.424 nan 8.360 nan 0.000 0.452 211 Q N 0.617 120.452 119.800 0.058 0.000 2.152 211 Q HA -0.137 4.202 4.340 -0.001 0.000 0.206 211 Q C 1.261 177.290 176.000 0.047 0.000 0.985 211 Q CA 1.052 56.884 55.803 0.047 0.000 0.863 211 Q CB -0.326 28.436 28.738 0.040 0.000 0.904 211 Q HN 0.348 nan 8.270 nan 0.000 0.422 212 N N 0.727 119.460 118.700 0.054 0.000 2.314 212 N HA 0.011 4.750 4.740 -0.001 0.000 0.200 212 N C -0.636 174.912 175.510 0.063 0.000 1.135 212 N CA -0.046 53.040 53.050 0.059 0.000 0.835 212 N CB 0.128 38.659 38.487 0.074 0.000 0.989 212 N HN 0.241 nan 8.380 nan 0.000 0.478 213 N N 0.519 119.253 118.700 0.057 0.000 2.727 213 N HA -0.173 4.566 4.740 -0.001 0.000 0.249 213 N C -1.259 174.288 175.510 0.061 0.000 1.048 213 N CA 0.476 53.558 53.050 0.054 0.000 0.714 213 N CB -1.059 37.456 38.487 0.046 0.000 0.959 213 N HN 0.311 nan 8.380 nan 0.000 0.544 214 L N 0.161 121.423 121.223 0.065 0.000 2.334 214 L HA 0.611 4.950 4.340 -0.001 0.000 0.273 214 L C -1.792 175.099 176.870 0.034 0.000 1.013 214 L CA -2.098 52.782 54.840 0.065 0.000 0.816 214 L CB 1.230 43.334 42.059 0.075 0.000 1.278 214 L HN -0.123 nan 8.230 nan 0.000 0.431 215 P HA -0.001 nan 4.420 nan 0.000 0.267 215 P C 0.658 177.932 177.300 -0.044 0.000 1.209 215 P CA 0.008 63.101 63.100 -0.013 0.000 0.763 215 P CB 0.925 32.618 31.700 -0.012 0.000 0.816 216 G N 3.359 112.134 108.800 -0.042 0.000 2.479 216 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 216 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 216 G C 1.451 176.270 174.900 -0.134 0.000 1.115 216 G CA 0.650 45.746 45.100 -0.006 0.000 0.757 216 G HN 0.597 nan 8.290 nan 0.000 0.560 217 A N 0.382 123.075 122.820 -0.212 0.000 2.225 217 A HA 0.153 4.473 4.320 -0.001 0.000 0.215 217 A C 2.183 179.705 177.584 -0.104 0.000 1.164 217 A CA 0.591 52.514 52.037 -0.189 0.000 0.710 217 A CB -0.310 18.595 19.000 -0.158 0.000 0.780 217 A HN 0.415 nan 8.150 nan 0.000 0.473 218 I N -1.198 119.290 120.570 -0.137 0.000 2.361 218 I HA -0.223 3.946 4.170 -0.001 0.000 0.251 218 I C 0.284 176.315 176.117 -0.144 0.000 1.133 218 I CA 0.630 61.785 61.300 -0.242 0.000 1.413 218 I CB -0.047 37.612 38.000 -0.567 0.000 1.073 218 I HN 0.302 nan 8.210 nan 0.000 0.424 219 C N 0.788 120.071 119.300 -0.028 0.000 3.335 219 C HA 0.370 4.830 4.460 -0.001 0.000 0.217 219 C C 0.664 175.766 174.990 0.186 0.000 1.330 219 C CA -0.906 58.183 59.018 0.119 0.000 1.470 219 C CB -0.795 27.044 27.740 0.165 0.000 1.806 219 C HN 0.166 nan 8.230 nan 0.000 0.468 220 S N 2.246 118.017 115.700 0.119 0.000 2.603 220 S HA 0.585 5.055 4.470 -0.001 0.000 0.268 220 S C -0.224 174.478 174.600 0.170 0.000 1.317 220 S CA -0.098 58.148 58.200 0.077 0.000 1.012 220 S CB 0.905 64.095 63.200 -0.016 0.000 0.926 220 S HN 0.797 nan 8.310 nan 0.000 0.539 221 M N 2.767 122.430 119.600 0.105 0.000 2.326 221 M HA 0.417 4.897 4.480 -0.001 0.000 0.292 221 M C -1.545 174.768 176.300 0.022 0.000 1.081 221 M CA -0.430 54.916 55.300 0.076 0.000 0.919 221 M CB 1.938 34.554 32.600 0.026 0.000 1.634 221 M HN 0.722 nan 8.290 nan 0.000 0.451 222 T N 1.500 116.067 114.554 0.022 0.000 2.963 222 T HA 0.508 4.858 4.350 -0.001 0.000 0.328 222 T C -0.442 174.243 174.700 -0.025 0.000 1.048 222 T CA -0.610 61.511 62.100 0.035 0.000 1.033 222 T CB -0.002 68.949 68.868 0.139 0.000 1.010 222 T HN 0.749 nan 8.240 nan 0.000 0.469 223 C N 2.924 122.188 119.300 -0.060 0.000 2.652 223 C HA 0.925 5.385 4.460 -0.001 0.000 0.412 223 C C 1.450 176.416 174.990 -0.040 0.000 1.294 223 C CA 0.551 59.513 59.018 -0.094 0.000 2.127 223 C CB -0.247 27.436 27.740 -0.096 0.000 2.691 223 C HN 1.373 nan 8.230 nan 0.000 0.615 224 G N 1.032 109.806 108.800 -0.042 0.000 2.315 224 G HA2 0.544 4.503 3.960 -0.001 0.000 0.294 224 G HA3 0.544 4.503 3.960 -0.001 0.000 0.294 224 G C -0.522 174.374 174.900 -0.008 0.000 1.300 224 G CA 0.002 45.091 45.100 -0.018 0.000 0.843 224 G HN 1.025 nan 8.290 nan 0.000 0.527 225 G N -1.161 107.640 108.800 0.002 0.000 2.695 225 G HA2 0.654 4.613 3.960 -0.001 0.000 0.213 225 G HA3 0.654 4.613 3.960 -0.001 0.000 0.213 225 G C 1.602 176.514 174.900 0.021 0.000 1.406 225 G CA 0.893 46.005 45.100 0.019 0.000 1.049 225 G HN 1.694 nan 8.290 nan 0.000 0.573 226 A N -0.690 122.150 122.820 0.033 0.000 1.917 226 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 226 A C 1.987 179.567 177.584 -0.007 0.000 1.182 226 A CA 2.498 54.554 52.037 0.031 0.000 0.633 226 A CB -0.912 18.109 19.000 0.036 0.000 0.819 226 A HN 0.627 nan 8.150 nan 0.000 0.448 227 D N 0.008 120.399 120.400 -0.016 0.000 2.984 227 D HA -0.244 4.396 4.640 -0.001 0.000 0.266 227 D C 1.670 177.915 176.300 -0.091 0.000 1.083 227 D CA 2.351 56.327 54.000 -0.040 0.000 0.985 227 D CB -0.282 40.502 40.800 -0.026 0.000 1.137 227 D HN 0.287 nan 8.370 nan 0.000 0.495 228 I N 0.374 120.879 120.570 -0.109 0.000 2.252 228 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 228 I C 2.639 178.621 176.117 -0.225 0.000 1.102 228 I CA 1.388 62.553 61.300 -0.225 0.000 1.385 228 I CB -1.923 35.987 38.000 -0.150 0.000 1.064 228 I HN 0.178 nan 8.210 nan 0.000 0.414 229 G N 0.680 109.432 108.800 -0.080 0.000 2.469 229 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.219 229 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.219 229 G C 1.687 176.569 174.900 -0.030 0.000 1.150 229 G CA 1.655 46.754 45.100 -0.002 0.000 0.763 229 G HN 0.345 nan 8.290 nan 0.000 0.561 230 T N 1.470 115.989 114.554 -0.058 0.000 2.777 230 T HA 0.080 4.429 4.350 -0.001 0.000 0.266 230 T C 2.829 177.472 174.700 -0.095 0.000 1.040 230 T CA 1.423 63.483 62.100 -0.066 0.000 1.141 230 T CB -0.370 68.464 68.868 -0.057 0.000 0.868 230 T HN 0.398 nan 8.240 nan 0.000 0.444 231 A N 1.440 124.155 122.820 -0.176 0.000 1.908 231 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 231 A C 2.326 179.813 177.584 -0.161 0.000 1.181 231 A CA 1.712 53.612 52.037 -0.228 0.000 0.627 231 A CB -0.723 17.984 19.000 -0.488 0.000 0.818 231 A HN 0.459 nan 8.150 nan 0.000 0.445 232 M N -0.614 118.870 119.600 -0.193 0.000 2.086 232 M HA -0.157 4.323 4.480 -0.001 0.000 0.261 232 M C 2.541 178.874 176.300 0.054 0.000 1.067 232 M CA 1.545 56.864 55.300 0.032 0.000 1.116 232 M CB -0.429 32.214 32.600 0.073 0.000 1.348 232 M HN 0.469 nan 8.290 nan 0.000 0.407 233 A N 0.318 123.146 122.820 0.012 0.000 1.940 233 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 233 A C 2.068 179.647 177.584 -0.008 0.000 1.176 233 A CA 1.776 53.812 52.037 -0.002 0.000 0.631 233 A CB -0.516 18.460 19.000 -0.041 0.000 0.814 233 A HN 0.475 nan 8.150 nan 0.000 0.446 234 K N -0.612 119.784 120.400 -0.007 0.000 2.379 234 K HA 0.015 4.335 4.320 -0.001 0.000 0.194 234 K C -0.217 176.400 176.600 0.029 0.000 1.031 234 K CA 0.057 56.342 56.287 -0.003 0.000 1.037 234 K CB 0.153 32.646 32.500 -0.012 0.000 0.824 234 K HN 0.305 nan 8.250 nan 0.000 0.516 235 D N 2.222 122.660 120.400 0.063 0.000 2.339 235 D HA -0.013 4.627 4.640 -0.001 0.000 0.256 235 D C 0.531 176.870 176.300 0.066 0.000 1.214 235 D CA 0.332 54.391 54.000 0.098 0.000 0.877 235 D CB 0.904 41.821 40.800 0.196 0.000 1.111 235 D HN 0.088 nan 8.370 nan 0.000 0.478 236 E N 2.592 122.821 120.200 0.048 0.000 2.265 236 E HA -0.164 4.186 4.350 -0.001 0.000 0.196 236 E C 1.397 178.008 176.600 0.019 0.000 0.996 236 E CA 0.634 57.054 56.400 0.033 0.000 0.832 236 E CB 0.324 30.041 29.700 0.029 0.000 0.756 236 E HN 0.420 nan 8.360 nan 0.000 0.491 237 R N 0.361 120.873 120.500 0.021 0.000 2.236 237 R HA 0.031 4.371 4.340 -0.001 0.000 0.208 237 R C 0.447 176.742 176.300 -0.008 0.000 1.036 237 R CA 0.106 56.201 56.100 -0.009 0.000 1.001 237 R CB 0.335 30.625 30.300 -0.017 0.000 0.896 237 R HN -0.086 nan 8.270 nan 0.000 0.464 238 V N 2.724 122.659 119.914 0.035 0.000 2.387 238 V HA -0.033 4.087 4.120 -0.001 0.000 0.260 238 V C 0.597 176.706 176.094 0.025 0.000 1.054 238 V CA 0.299 62.628 62.300 0.049 0.000 0.967 238 V CB 1.005 32.889 31.823 0.102 0.000 1.036 238 V HN 0.197 nan 8.190 nan 0.000 0.481 239 D N 3.302 123.701 120.400 -0.003 0.000 2.149 239 D HA 0.011 4.651 4.640 -0.001 0.000 0.201 239 D C 0.396 176.706 176.300 0.016 0.000 0.972 239 D CA 1.082 55.074 54.000 -0.013 0.000 0.835 239 D CB 0.601 41.365 40.800 -0.060 0.000 0.966 239 D HN 0.388 nan 8.370 nan 0.000 0.476 240 L N 0.704 121.947 121.223 0.034 0.000 2.438 240 L HA 0.382 4.721 4.340 -0.001 0.000 0.270 240 L C -1.772 175.132 176.870 0.056 0.000 0.972 240 L CA -0.895 53.962 54.840 0.029 0.000 0.831 240 L CB 2.163 44.226 42.059 0.008 0.000 1.273 240 L HN -0.263 nan 8.230 nan 0.000 0.405 241 L N 4.046 125.301 121.223 0.053 0.000 2.280 241 L HA 0.612 4.952 4.340 -0.001 0.000 0.287 241 L C -0.294 176.636 176.870 0.101 0.000 1.023 241 L CA 0.335 55.232 54.840 0.095 0.000 0.819 241 L CB 1.376 43.494 42.059 0.098 0.000 1.212 241 L HN 0.730 nan 8.230 nan 0.000 0.420 242 S N 5.560 121.338 115.700 0.130 0.000 2.422 242 S HA 0.490 4.959 4.470 -0.001 0.000 0.298 242 S C -0.855 173.870 174.600 0.209 0.000 1.118 242 S CA -0.413 57.866 58.200 0.132 0.000 1.083 242 S CB -0.073 63.202 63.200 0.125 0.000 0.971 242 S HN 0.460 nan 8.310 nan 0.000 0.478 243 F N 4.430 124.415 119.950 0.058 0.000 2.449 243 F HA 0.514 5.041 4.527 -0.001 0.000 0.342 243 F C -0.206 175.638 175.800 0.074 0.000 1.127 243 F CA -0.275 57.766 58.000 0.069 0.000 0.975 243 F CB 1.739 40.762 39.000 0.038 0.000 1.146 243 F HN 0.415 nan 8.300 nan 0.000 0.444 244 T N 4.881 119.183 114.554 -0.420 0.000 2.786 244 T HA 0.779 5.129 4.350 -0.001 0.000 0.283 244 T C -0.063 174.278 174.700 -0.598 0.000 0.992 244 T CA -0.345 61.593 62.100 -0.269 0.000 0.954 244 T CB 1.095 69.918 68.868 -0.074 0.000 0.934 244 T HN 1.042 nan 8.240 nan 0.000 0.440 245 G N 1.704 110.360 108.800 -0.239 0.000 2.325 245 G HA2 0.449 4.409 3.960 -0.001 0.000 0.295 245 G HA3 0.449 4.409 3.960 -0.001 0.000 0.295 245 G C -0.549 174.457 174.900 0.178 0.000 1.274 245 G CA -0.443 44.598 45.100 -0.097 0.000 0.857 245 G HN 0.863 nan 8.290 nan 0.000 0.499 246 S N -1.039 114.779 115.700 0.198 0.000 2.568 246 S HA 0.341 4.811 4.470 -0.001 0.000 0.282 246 S C 1.512 176.237 174.600 0.208 0.000 1.338 246 S CA 1.218 59.511 58.200 0.156 0.000 1.045 246 S CB 1.419 64.714 63.200 0.158 0.000 0.873 246 S HN 1.660 nan 8.310 nan 0.000 0.516 247 T N 0.181 114.827 114.554 0.154 0.000 2.915 247 T HA -0.193 4.157 4.350 -0.001 0.000 0.269 247 T C 1.588 176.335 174.700 0.080 0.000 1.071 247 T CA 1.829 63.998 62.100 0.115 0.000 1.132 247 T CB -0.748 68.203 68.868 0.137 0.000 0.878 247 T HN 0.902 nan 8.240 nan 0.000 0.479 248 H N 0.182 119.276 119.070 0.041 0.000 2.326 248 H HA 0.063 4.618 4.556 -0.001 0.000 0.301 248 H C 2.073 177.383 175.328 -0.029 0.000 1.081 248 H CA 2.012 58.069 56.048 0.014 0.000 1.334 248 H CB -0.446 29.340 29.762 0.040 0.000 1.385 248 H HN 0.248 nan 8.280 nan 0.000 0.504 249 V N 0.324 120.214 119.914 -0.041 0.000 2.379 249 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 249 V C 2.774 178.607 176.094 -0.434 0.000 1.044 249 V CA 1.605 63.812 62.300 -0.154 0.000 1.036 249 V CB -1.177 30.734 31.823 0.147 0.000 0.664 249 V HN 0.742 nan 8.190 nan 0.000 0.453 250 G N -0.124 108.422 108.800 -0.423 0.000 2.505 250 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.220 250 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.220 250 G C 1.642 176.269 174.900 -0.455 0.000 1.145 250 G CA 1.369 46.078 45.100 -0.651 0.000 0.761 250 G HN 0.496 nan 8.290 nan 0.000 0.571 251 K N -0.358 119.852 120.400 -0.315 0.000 2.026 251 K HA -0.034 4.286 4.320 -0.001 0.000 0.208 251 K C 2.658 179.094 176.600 -0.275 0.000 1.048 251 K CA 1.354 57.480 56.287 -0.269 0.000 0.929 251 K CB -0.239 32.121 32.500 -0.233 0.000 0.713 251 K HN 0.335 nan 8.250 nan 0.000 0.439 252 M N 0.224 119.635 119.600 -0.315 0.000 2.080 252 M HA -0.208 4.272 4.480 -0.001 0.000 0.260 252 M C 2.169 178.322 176.300 -0.246 0.000 1.068 252 M CA 1.541 56.683 55.300 -0.262 0.000 1.109 252 M CB -0.181 32.259 32.600 -0.267 0.000 1.342 252 M HN 0.005 nan 8.290 nan 0.000 0.405 253 V N 0.188 119.902 119.914 -0.334 0.000 2.295 253 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 253 V C 2.595 178.549 176.094 -0.233 0.000 1.049 253 V CA 2.037 64.150 62.300 -0.311 0.000 1.024 253 V CB -1.230 30.272 31.823 -0.535 0.000 0.648 253 V HN 0.555 nan 8.190 nan 0.000 0.447 254 A N -0.376 122.291 122.820 -0.254 0.000 1.873 254 A HA -0.286 4.034 4.320 -0.001 0.000 0.218 254 A C 2.231 179.722 177.584 -0.155 0.000 1.193 254 A CA 2.404 54.333 52.037 -0.180 0.000 0.629 254 A CB -0.557 18.336 19.000 -0.179 0.000 0.826 254 A HN 0.420 nan 8.150 nan 0.000 0.447 255 M N -1.217 118.285 119.600 -0.164 0.000 2.149 255 M HA -0.112 4.368 4.480 -0.001 0.000 0.261 255 M C 2.322 178.539 176.300 -0.138 0.000 1.064 255 M CA 1.521 56.733 55.300 -0.146 0.000 1.102 255 M CB -1.162 31.355 32.600 -0.139 0.000 1.369 255 M HN 0.482 nan 8.290 nan 0.000 0.408 256 M N -0.878 118.643 119.600 -0.131 0.000 2.132 256 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 256 M C 2.168 178.408 176.300 -0.101 0.000 1.065 256 M CA 1.138 56.373 55.300 -0.109 0.000 1.122 256 M CB -0.324 32.218 32.600 -0.098 0.000 1.365 256 M HN 0.035 nan 8.290 nan 0.000 0.411 257 V N -0.085 119.769 119.914 -0.099 0.000 2.358 257 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 257 V C 2.279 178.308 176.094 -0.108 0.000 1.047 257 V CA 1.777 64.031 62.300 -0.076 0.000 1.035 257 V CB -0.696 31.094 31.823 -0.056 0.000 0.658 257 V HN 0.435 nan 8.190 nan 0.000 0.452 258 Q N 0.373 120.085 119.800 -0.146 0.000 2.096 258 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 258 Q C 2.248 178.033 176.000 -0.359 0.000 0.982 258 Q CA 1.816 57.489 55.803 -0.218 0.000 0.850 258 Q CB -0.488 28.136 28.738 -0.191 0.000 0.901 258 Q HN 0.558 nan 8.270 nan 0.000 0.422 259 E N 0.486 120.526 120.200 -0.266 0.000 2.130 259 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 259 E C 1.211 177.644 176.600 -0.279 0.000 0.998 259 E CA 1.656 57.897 56.400 -0.265 0.000 0.806 259 E CB -0.002 29.605 29.700 -0.155 0.000 0.738 259 E HN 0.602 nan 8.360 nan 0.000 0.459 260 R N -1.496 118.895 120.500 -0.181 0.000 2.466 260 R HA 0.126 4.466 4.340 -0.001 0.000 0.279 260 R C 0.021 176.359 176.300 0.063 0.000 0.976 260 R CA -0.175 55.895 56.100 -0.050 0.000 1.081 260 R CB -0.547 29.750 30.300 -0.006 0.000 1.215 260 R HN -0.158 nan 8.270 nan 0.000 0.546 261 F N 0.595 120.534 119.950 -0.020 0.000 3.090 261 F HA -0.230 4.296 4.527 -0.001 0.000 0.282 261 F C 0.936 176.725 175.800 -0.019 0.000 0.923 261 F CA 1.026 59.014 58.000 -0.020 0.000 0.977 261 F CB -1.632 37.357 39.000 -0.018 0.000 0.954 261 F HN 0.430 nan 8.300 nan 0.000 0.695 262 G N 0.225 109.079 108.800 0.090 0.000 2.528 262 G HA2 0.605 4.564 3.960 -0.001 0.000 0.289 262 G HA3 0.605 4.564 3.960 -0.001 0.000 0.289 262 G C -0.049 174.878 174.900 0.045 0.000 1.192 262 G CA -1.003 44.133 45.100 0.060 0.000 0.921 262 G HN 0.245 nan 8.290 nan 0.000 0.512 263 R N -0.041 120.478 120.500 0.030 0.000 2.410 263 R HA 0.398 4.738 4.340 -0.001 0.000 0.288 263 R C 0.068 176.365 176.300 -0.004 0.000 1.051 263 R CA -0.414 55.694 56.100 0.012 0.000 1.021 263 R CB 1.269 31.573 30.300 0.007 0.000 1.032 263 R HN 0.671 nan 8.270 nan 0.000 0.481 264 K N 2.462 122.850 120.400 -0.019 0.000 2.426 264 K HA 0.464 4.783 4.320 -0.001 0.000 0.251 264 K C -1.422 175.154 176.600 -0.039 0.000 0.941 264 K CA -0.839 55.436 56.287 -0.020 0.000 0.808 264 K CB 1.953 34.440 32.500 -0.023 0.000 1.265 264 K HN 0.448 nan 8.250 nan 0.000 0.432 265 L N 4.053 125.262 121.223 -0.024 0.000 2.372 265 L HA 0.434 4.774 4.340 -0.001 0.000 0.273 265 L C -1.668 175.228 176.870 0.044 0.000 0.989 265 L CA -0.818 54.001 54.840 -0.034 0.000 0.841 265 L CB 1.017 43.014 42.059 -0.104 0.000 1.225 265 L HN 0.637 nan 8.230 nan 0.000 0.414 266 L N 5.039 126.284 121.223 0.036 0.000 2.287 266 L HA 0.522 4.862 4.340 -0.001 0.000 0.287 266 L C -0.393 176.528 176.870 0.085 0.000 1.022 266 L CA -0.520 54.374 54.840 0.089 0.000 0.814 266 L CB 1.538 43.617 42.059 0.034 0.000 1.217 266 L HN 0.517 nan 8.230 nan 0.000 0.420 267 E N 5.759 126.048 120.200 0.148 0.000 2.593 267 E HA 0.420 4.770 4.350 -0.001 0.000 0.232 267 E C -0.543 176.145 176.600 0.145 0.000 1.026 267 E CA -0.121 56.351 56.400 0.120 0.000 0.772 267 E CB 1.706 31.494 29.700 0.147 0.000 1.310 267 E HN 0.534 nan 8.360 nan 0.000 0.413 268 L N -0.480 120.815 121.223 0.120 0.000 2.836 268 L HA 0.619 4.958 4.340 -0.001 0.000 0.216 268 L C 1.255 178.189 176.870 0.108 0.000 1.861 268 L CA -1.186 53.737 54.840 0.138 0.000 2.145 268 L CB -0.117 42.017 42.059 0.125 0.000 2.671 268 L HN 0.305 nan 8.230 nan 0.000 0.594 269 G N -1.228 107.638 108.800 0.111 0.000 2.636 269 G HA2 0.466 4.426 3.960 -0.001 0.000 0.246 269 G HA3 0.466 4.426 3.960 -0.001 0.000 0.246 269 G C -0.480 174.494 174.900 0.123 0.000 1.216 269 G CA 0.192 45.362 45.100 0.117 0.000 0.854 269 G HN 0.706 nan 8.290 nan 0.000 0.572 270 G N -0.803 108.091 108.800 0.157 0.000 2.612 270 G HA2 0.437 4.396 3.960 -0.001 0.000 0.298 270 G HA3 0.437 4.396 3.960 -0.001 0.000 0.298 270 G C -0.986 174.009 174.900 0.159 0.000 1.336 270 G CA -0.586 44.599 45.100 0.141 0.000 0.953 270 G HN 0.575 nan 8.290 nan 0.000 0.482 271 N N 0.823 119.596 118.700 0.122 0.000 2.733 271 N HA 0.111 4.850 4.740 -0.001 0.000 0.271 271 N C -0.725 174.862 175.510 0.128 0.000 1.720 271 N CA -0.531 52.597 53.050 0.130 0.000 0.803 271 N CB 0.245 38.778 38.487 0.076 0.000 1.208 271 N HN 0.459 nan 8.380 nan 0.000 0.498 272 N N 0.656 119.448 118.700 0.154 0.000 2.497 272 N HA 0.290 5.029 4.740 -0.001 0.000 0.271 272 N C -0.390 175.222 175.510 0.170 0.000 1.142 272 N CA -0.016 53.126 53.050 0.152 0.000 0.965 272 N CB 1.697 40.279 38.487 0.159 0.000 1.077 272 N HN 0.348 nan 8.380 nan 0.000 0.462 273 A N 2.830 125.755 122.820 0.176 0.000 2.318 273 A HA 0.602 4.921 4.320 -0.001 0.000 0.324 273 A C -0.027 177.672 177.584 0.192 0.000 1.170 273 A CA -0.700 51.447 52.037 0.184 0.000 0.810 273 A CB 0.644 19.754 19.000 0.183 0.000 1.198 273 A HN 0.673 nan 8.150 nan 0.000 0.484 274 I N 2.998 123.674 120.570 0.177 0.000 2.354 274 I HA 0.333 4.503 4.170 -0.001 0.000 0.292 274 I C -0.751 175.443 176.117 0.128 0.000 0.989 274 I CA -0.250 61.165 61.300 0.191 0.000 1.188 274 I CB 1.411 39.527 38.000 0.194 0.000 1.342 274 I HN 0.501 nan 8.210 nan 0.000 0.457 275 I N 7.118 127.738 120.570 0.084 0.000 2.355 275 I HA 0.312 4.481 4.170 -0.001 0.000 0.288 275 I C -0.535 175.628 176.117 0.075 0.000 0.999 275 I CA -0.747 60.526 61.300 -0.045 0.000 1.163 275 I CB 1.712 39.543 38.000 -0.282 0.000 1.316 275 I HN 0.163 nan 8.210 nan 0.000 0.454 276 V N 7.065 127.046 119.914 0.112 0.000 2.347 276 V HA 0.371 4.490 4.120 -0.001 0.000 0.280 276 V C -0.059 176.125 176.094 0.150 0.000 1.021 276 V CA -0.397 62.003 62.300 0.166 0.000 0.847 276 V CB 0.850 32.711 31.823 0.063 0.000 0.990 276 V HN 0.390 nan 8.190 nan 0.000 0.444 277 F N 1.690 121.779 119.950 0.231 0.000 2.375 277 F HA 0.302 4.828 4.527 -0.001 0.000 0.317 277 F C 1.719 177.513 175.800 -0.011 0.000 1.124 277 F CA -0.257 57.832 58.000 0.148 0.000 1.050 277 F CB 0.771 39.820 39.000 0.082 0.000 1.314 277 F HN 0.553 nan 8.300 nan 0.000 0.511 278 E N 0.418 120.623 120.200 0.009 0.000 2.085 278 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 278 E C 1.183 177.792 176.600 0.014 0.000 0.994 278 E CA 1.693 58.040 56.400 -0.088 0.000 0.801 278 E CB -0.089 29.442 29.700 -0.282 0.000 0.743 278 E HN 0.680 nan 8.360 nan 0.000 0.453 279 D N -0.070 120.358 120.400 0.046 0.000 2.319 279 D HA 0.063 4.703 4.640 -0.001 0.000 0.230 279 D C 0.033 176.379 176.300 0.077 0.000 1.094 279 D CA 0.113 54.138 54.000 0.042 0.000 0.856 279 D CB -0.125 40.683 40.800 0.014 0.000 0.915 279 D HN 0.161 nan 8.370 nan 0.000 0.517 280 A N 0.581 123.474 122.820 0.122 0.000 2.445 280 A HA 0.157 4.477 4.320 -0.001 0.000 0.242 280 A C 0.212 177.864 177.584 0.113 0.000 1.075 280 A CA -0.349 51.783 52.037 0.158 0.000 0.777 280 A CB 0.253 19.383 19.000 0.216 0.000 1.013 280 A HN 0.120 nan 8.150 nan 0.000 0.493 281 D N 1.869 122.348 120.400 0.132 0.000 2.348 281 D HA 0.161 4.800 4.640 -0.001 0.000 0.259 281 D C 0.692 177.039 176.300 0.078 0.000 1.296 281 D CA -0.274 53.786 54.000 0.099 0.000 0.931 281 D CB 0.318 41.184 40.800 0.111 0.000 1.067 281 D HN 0.236 nan 8.370 nan 0.000 0.503 282 L N 4.116 125.361 121.223 0.038 0.000 2.201 282 L HA -0.078 4.262 4.340 -0.001 0.000 0.212 282 L C 1.875 178.740 176.870 -0.010 0.000 1.105 282 L CA 0.885 55.724 54.840 -0.003 0.000 0.775 282 L CB -0.803 41.251 42.059 -0.008 0.000 0.913 282 L HN 0.403 nan 8.230 nan 0.000 0.440 283 N N -0.792 117.919 118.700 0.017 0.000 2.381 283 N HA -0.121 4.619 4.740 -0.001 0.000 0.182 283 N C 1.756 177.289 175.510 0.038 0.000 1.025 283 N CA 0.701 53.764 53.050 0.022 0.000 0.888 283 N CB -0.034 38.473 38.487 0.033 0.000 0.965 283 N HN 0.261 nan 8.380 nan 0.000 0.438 284 L N -0.086 121.175 121.223 0.062 0.000 2.168 284 L HA 0.124 4.463 4.340 -0.001 0.000 0.203 284 L C 1.842 178.730 176.870 0.030 0.000 1.078 284 L CA 0.848 55.756 54.840 0.113 0.000 0.780 284 L CB -0.433 41.752 42.059 0.211 0.000 0.939 284 L HN -0.193 nan 8.230 nan 0.000 0.451 285 V N -0.573 119.274 119.914 -0.112 0.000 2.233 285 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 285 V C 2.525 178.443 176.094 -0.293 0.000 1.050 285 V CA 1.956 63.991 62.300 -0.441 0.000 1.010 285 V CB -0.688 30.910 31.823 -0.375 0.000 0.637 285 V HN 0.333 nan 8.190 nan 0.000 0.444 286 V N 0.469 120.285 119.914 -0.165 0.000 2.231 286 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 286 V C 0.180 176.181 176.094 -0.155 0.000 1.054 286 V CA 2.849 65.066 62.300 -0.138 0.000 1.015 286 V CB -1.986 29.779 31.823 -0.096 0.000 0.638 286 V HN 0.534 nan 8.190 nan 0.000 0.444 287 P HA -0.050 nan 4.420 nan 0.000 0.217 287 P C 1.970 179.201 177.300 -0.114 0.000 1.151 287 P CA 1.474 64.459 63.100 -0.192 0.000 0.828 287 P CB -0.081 31.637 31.700 0.029 0.000 0.788 288 S N 0.121 115.835 115.700 0.024 0.000 2.353 288 S HA -0.192 4.278 4.470 -0.001 0.000 0.222 288 S C 2.120 176.753 174.600 0.055 0.000 1.035 288 S CA 1.624 59.900 58.200 0.125 0.000 1.025 288 S CB -1.269 62.035 63.200 0.173 0.000 0.902 288 S HN 0.158 nan 8.310 nan 0.000 0.440 289 A N 1.200 123.973 122.820 -0.078 0.000 1.883 289 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 289 A C 2.372 179.958 177.584 0.005 0.000 1.186 289 A CA 1.777 53.787 52.037 -0.044 0.000 0.624 289 A CB -1.064 17.873 19.000 -0.106 0.000 0.822 289 A HN 0.336 nan 8.150 nan 0.000 0.444 290 V N -0.995 118.861 119.914 -0.096 0.000 2.233 290 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 290 V C 2.351 178.373 176.094 -0.121 0.000 1.050 290 V CA 2.310 64.520 62.300 -0.150 0.000 1.010 290 V CB -1.108 30.456 31.823 -0.432 0.000 0.637 290 V HN 0.552 nan 8.190 nan 0.000 0.444 291 F N 0.847 120.824 119.950 0.046 0.000 2.216 291 F HA -0.039 4.488 4.527 -0.001 0.000 0.300 291 F C 2.397 178.238 175.800 0.068 0.000 1.085 291 F CA 0.943 58.970 58.000 0.046 0.000 1.326 291 F CB -1.308 37.723 39.000 0.051 0.000 1.027 291 F HN 0.105 nan 8.300 nan 0.000 0.497 292 A N -0.966 122.002 122.820 0.247 0.000 2.014 292 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 292 A C 2.336 180.018 177.584 0.164 0.000 1.163 292 A CA 1.797 53.955 52.037 0.201 0.000 0.652 292 A CB -0.758 18.360 19.000 0.196 0.000 0.808 292 A HN 0.311 nan 8.150 nan 0.000 0.449 293 S N -1.133 114.657 115.700 0.149 0.000 2.404 293 S HA 0.009 4.479 4.470 -0.001 0.000 0.223 293 S C 1.714 176.392 174.600 0.131 0.000 1.040 293 S CA 1.050 59.338 58.200 0.147 0.000 0.957 293 S CB 0.016 63.332 63.200 0.193 0.000 0.826 293 S HN 0.271 nan 8.310 nan 0.000 0.491 294 V N 1.590 121.567 119.914 0.105 0.000 2.992 294 V HA 0.184 4.304 4.120 -0.001 0.000 0.250 294 V C 1.462 177.664 176.094 0.179 0.000 1.090 294 V CA 0.582 62.949 62.300 0.113 0.000 1.101 294 V CB -0.823 30.946 31.823 -0.090 0.000 0.743 294 V HN 0.476 nan 8.190 nan 0.000 0.468 295 G N 0.017 108.911 108.800 0.157 0.000 2.391 295 G HA2 0.225 4.185 3.960 -0.001 0.000 0.234 295 G HA3 0.225 4.185 3.960 -0.001 0.000 0.234 295 G C 0.761 175.670 174.900 0.015 0.000 1.284 295 G CA 0.830 45.995 45.100 0.109 0.000 0.873 295 G HN 0.523 nan 8.290 nan 0.000 0.549 296 T N -0.213 114.309 114.554 -0.054 0.000 4.386 296 T HA -0.159 4.190 4.350 -0.001 0.000 0.320 296 T C 1.456 176.028 174.700 -0.213 0.000 0.916 296 T CA 1.734 63.748 62.100 -0.143 0.000 2.028 296 T CB -1.972 66.810 68.868 -0.142 0.000 1.935 296 T HN 2.658 nan 8.240 nan 0.000 0.894 297 A N -1.002 121.648 122.820 -0.284 0.000 2.822 297 A HA 0.216 4.535 4.320 -0.001 0.000 0.287 297 A C 2.169 179.661 177.584 -0.153 0.000 1.479 297 A CA 1.421 53.220 52.037 -0.396 0.000 0.779 297 A CB -2.064 16.570 19.000 -0.611 0.000 1.022 297 A HN 2.673 nan 8.150 nan 0.000 0.532 298 G N -2.159 106.590 108.800 -0.084 0.000 2.160 298 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.251 298 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.251 298 G C 0.180 174.881 174.900 -0.331 0.000 1.008 298 G CA 0.928 45.972 45.100 -0.094 0.000 0.724 298 G HN 1.402 nan 8.290 nan 0.000 0.514 299 Q N -0.625 118.935 119.800 -0.400 0.000 2.186 299 Q HA 0.202 4.541 4.340 -0.001 0.000 0.241 299 Q C 0.928 176.659 176.000 -0.448 0.000 0.849 299 Q CA -0.322 54.991 55.803 -0.817 0.000 1.053 299 Q CB 0.639 29.158 28.738 -0.365 0.000 1.146 299 Q HN 0.587 nan 8.270 nan 0.000 0.475 300 R N 0.093 120.520 120.500 -0.121 0.000 2.486 300 R HA 0.177 4.517 4.340 -0.001 0.000 0.286 300 R C 1.245 177.767 176.300 0.370 0.000 0.999 300 R CA -0.237 56.039 56.100 0.294 0.000 0.993 300 R CB 0.790 31.294 30.300 0.340 0.000 1.084 300 R HN 0.305 nan 8.270 nan 0.000 0.487 301 C N -0.985 118.625 119.300 0.517 0.000 2.419 301 C HA -0.081 4.378 4.460 -0.001 0.000 0.283 301 C C 2.135 177.326 174.990 0.334 0.000 1.373 301 C CA 0.746 60.043 59.018 0.465 0.000 1.781 301 C CB -1.385 26.566 27.740 0.351 0.000 1.886 301 C HN 0.906 nan 8.230 nan 0.000 0.520 302 T N -2.539 112.198 114.554 0.305 0.000 3.107 302 T HA 0.100 4.450 4.350 -0.001 0.000 0.249 302 T C 0.531 175.357 174.700 0.211 0.000 1.096 302 T CA 0.364 62.613 62.100 0.249 0.000 1.012 302 T CB -0.769 68.261 68.868 0.269 0.000 0.977 302 T HN 0.521 nan 8.240 nan 0.000 0.527 303 T N 3.947 118.620 114.554 0.198 0.000 2.933 303 T HA 0.134 4.484 4.350 -0.001 0.000 0.306 303 T C 0.312 175.111 174.700 0.165 0.000 1.045 303 T CA 0.262 62.456 62.100 0.155 0.000 1.143 303 T CB 0.440 69.359 68.868 0.085 0.000 1.003 303 T HN 0.339 nan 8.240 nan 0.000 0.540 304 T N 5.288 119.938 114.554 0.161 0.000 2.817 304 T HA 0.101 4.451 4.350 -0.001 0.000 0.295 304 T C 1.318 176.115 174.700 0.160 0.000 0.958 304 T CA -0.516 61.683 62.100 0.165 0.000 1.157 304 T CB 0.533 69.495 68.868 0.157 0.000 0.898 304 T HN 0.442 nan 8.240 nan 0.000 0.536 305 R N 2.354 122.967 120.500 0.187 0.000 2.287 305 R HA 0.182 4.522 4.340 -0.001 0.000 0.197 305 R C 0.411 176.880 176.300 0.282 0.000 0.900 305 R CA 0.321 56.559 56.100 0.229 0.000 1.052 305 R CB 0.551 31.017 30.300 0.276 0.000 1.117 305 R HN 0.489 nan 8.270 nan 0.000 0.568 306 R N 1.049 121.690 120.500 0.236 0.000 2.476 306 R HA 0.393 4.733 4.340 -0.001 0.000 0.305 306 R C -1.211 175.203 176.300 0.189 0.000 0.965 306 R CA -0.763 55.481 56.100 0.239 0.000 0.867 306 R CB 2.058 32.490 30.300 0.220 0.000 1.176 306 R HN -0.148 nan 8.270 nan 0.000 0.447 307 L N 4.280 125.606 121.223 0.172 0.000 2.316 307 L HA 0.467 4.806 4.340 -0.001 0.000 0.280 307 L C -0.954 176.019 176.870 0.171 0.000 1.006 307 L CA -0.232 54.688 54.840 0.133 0.000 0.836 307 L CB 1.346 43.446 42.059 0.067 0.000 1.221 307 L HN 0.605 nan 8.230 nan 0.000 0.418 308 M N 6.656 126.371 119.600 0.192 0.000 2.113 308 M HA 0.446 4.926 4.480 -0.001 0.000 0.352 308 M C -1.096 175.424 176.300 0.367 0.000 1.170 308 M CA -0.234 55.247 55.300 0.302 0.000 1.053 308 M CB 1.155 33.880 32.600 0.208 0.000 1.601 308 M HN 0.446 nan 8.290 nan 0.000 0.459 309 L N 2.540 123.993 121.223 0.383 0.000 2.346 309 L HA 0.467 4.806 4.340 -0.001 0.000 0.276 309 L C 0.261 177.083 176.870 -0.080 0.000 1.006 309 L CA -0.918 54.041 54.840 0.197 0.000 0.817 309 L CB 1.520 43.630 42.059 0.085 0.000 1.272 309 L HN 0.631 nan 8.230 nan 0.000 0.421 310 H N 3.550 122.297 119.070 -0.538 0.000 2.815 310 H HA -0.023 4.533 4.556 -0.001 0.000 0.350 310 H C 0.797 175.878 175.328 -0.411 0.000 1.080 310 H CA 0.465 55.908 56.048 -1.008 0.000 1.433 310 H CB 1.353 30.659 29.762 -0.759 0.000 1.432 310 H HN 0.876 nan 8.280 nan 0.000 0.592 311 E N 2.148 121.807 120.200 -0.901 0.000 2.130 311 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 311 E C 1.684 178.152 176.600 -0.219 0.000 0.998 311 E CA 1.754 57.874 56.400 -0.466 0.000 0.806 311 E CB -0.147 29.267 29.700 -0.476 0.000 0.738 311 E HN 0.623 nan 8.360 nan 0.000 0.459 312 S N 0.970 116.588 115.700 -0.137 0.000 2.419 312 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 312 S C 2.128 176.759 174.600 0.052 0.000 1.016 312 S CA 1.314 59.547 58.200 0.054 0.000 0.974 312 S CB -0.296 63.026 63.200 0.204 0.000 0.786 312 S HN 0.425 nan 8.310 nan 0.000 0.492 313 V N -2.763 117.185 119.914 0.057 0.000 3.605 313 V HA 0.276 4.396 4.120 -0.001 0.000 0.284 313 V C 2.093 178.201 176.094 0.024 0.000 1.386 313 V CA 0.313 62.634 62.300 0.034 0.000 1.053 313 V CB -0.906 30.933 31.823 0.028 0.000 0.857 313 V HN 0.505 nan 8.190 nan 0.000 0.436 314 H N 2.441 121.472 119.070 -0.064 0.000 2.261 314 H HA -0.255 4.300 4.556 -0.001 0.000 0.290 314 H C 1.791 177.093 175.328 -0.044 0.000 1.081 314 H CA 2.981 58.994 56.048 -0.059 0.000 1.196 314 H CB -0.310 29.406 29.762 -0.077 0.000 1.350 314 H HN 0.460 nan 8.280 nan 0.000 0.498 315 D N 0.298 120.774 120.400 0.126 0.000 2.144 315 D HA -0.070 4.569 4.640 -0.001 0.000 0.199 315 D C 2.287 178.566 176.300 -0.035 0.000 0.984 315 D CA 1.177 55.212 54.000 0.058 0.000 0.834 315 D CB -0.566 40.290 40.800 0.093 0.000 0.955 315 D HN 0.509 nan 8.370 nan 0.000 0.465 316 A N 0.599 123.403 122.820 -0.027 0.000 1.898 316 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 316 A C 2.527 180.071 177.584 -0.068 0.000 1.181 316 A CA 1.148 53.163 52.037 -0.037 0.000 0.620 316 A CB -0.676 18.312 19.000 -0.020 0.000 0.819 316 A HN 0.141 nan 8.150 nan 0.000 0.442 317 V N -0.459 119.399 119.914 -0.093 0.000 2.307 317 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 317 V C 2.574 178.577 176.094 -0.152 0.000 1.045 317 V CA 1.818 64.048 62.300 -0.116 0.000 1.024 317 V CB -0.820 30.931 31.823 -0.120 0.000 0.651 317 V HN 0.349 nan 8.190 nan 0.000 0.449 318 V N -0.009 119.775 119.914 -0.216 0.000 2.282 318 V HA -0.366 3.754 4.120 -0.001 0.000 0.249 318 V C 2.482 178.478 176.094 -0.164 0.000 1.057 318 V CA 2.584 64.746 62.300 -0.230 0.000 1.032 318 V CB -0.594 31.052 31.823 -0.294 0.000 0.645 318 V HN 0.651 nan 8.190 nan 0.000 0.447 319 E N -0.376 119.752 120.200 -0.121 0.000 2.077 319 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 319 E C 2.483 179.037 176.600 -0.076 0.000 0.989 319 E CA 1.238 57.586 56.400 -0.086 0.000 0.800 319 E CB -0.019 29.646 29.700 -0.058 0.000 0.746 319 E HN 0.526 nan 8.360 nan 0.000 0.452 320 R N 0.036 120.490 120.500 -0.075 0.000 2.075 320 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 320 R C 2.461 178.722 176.300 -0.064 0.000 1.126 320 R CA 1.243 57.306 56.100 -0.061 0.000 0.963 320 R CB -0.194 30.071 30.300 -0.059 0.000 0.858 320 R HN 0.269 nan 8.270 nan 0.000 0.435 321 I N 0.520 121.035 120.570 -0.091 0.000 2.226 321 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 321 I C 2.572 178.647 176.117 -0.069 0.000 1.100 321 I CA 1.187 62.439 61.300 -0.080 0.000 1.374 321 I CB -0.456 37.460 38.000 -0.139 0.000 1.057 321 I HN 0.198 nan 8.210 nan 0.000 0.413 322 A N 0.885 123.620 122.820 -0.142 0.000 1.902 322 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 322 A C 2.323 179.899 177.584 -0.014 0.000 1.181 322 A CA 1.685 53.645 52.037 -0.128 0.000 0.623 322 A CB -0.461 18.460 19.000 -0.131 0.000 0.818 322 A HN 0.308 nan 8.150 nan 0.000 0.443 323 K N -0.476 119.914 120.400 -0.018 0.000 2.097 323 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 323 K C 2.242 178.853 176.600 0.018 0.000 1.049 323 K CA 1.070 57.356 56.287 -0.001 0.000 0.933 323 K CB -0.266 32.226 32.500 -0.013 0.000 0.717 323 K HN 0.468 nan 8.250 nan 0.000 0.442 324 A N 0.242 123.079 122.820 0.028 0.000 1.897 324 A HA -0.150 4.170 4.320 -0.001 0.000 0.215 324 A C 1.792 179.407 177.584 0.052 0.000 1.181 324 A CA 1.095 53.142 52.037 0.017 0.000 0.620 324 A CB -0.701 18.281 19.000 -0.029 0.000 0.821 324 A HN 0.242 nan 8.150 nan 0.000 0.443 325 Y N 0.479 120.720 120.300 -0.098 0.000 2.193 325 Y HA -0.231 4.319 4.550 -0.001 0.000 0.285 325 Y C 2.329 178.178 175.900 -0.086 0.000 1.166 325 Y CA 1.931 59.973 58.100 -0.097 0.000 1.181 325 Y CB -0.314 38.092 38.460 -0.089 0.000 0.976 325 Y HN 0.292 nan 8.280 nan 0.000 0.520 326 K N -0.321 120.129 120.400 0.082 0.000 2.147 326 K HA -0.199 4.121 4.320 -0.001 0.000 0.205 326 K C 1.680 178.276 176.600 -0.006 0.000 1.049 326 K CA 1.559 57.861 56.287 0.024 0.000 0.936 326 K CB -0.147 32.365 32.500 0.020 0.000 0.722 326 K HN 0.449 nan 8.250 nan 0.000 0.446 327 Q N 0.172 119.966 119.800 -0.009 0.000 2.360 327 Q HA 0.072 4.412 4.340 -0.001 0.000 0.202 327 Q C -0.489 175.500 176.000 -0.019 0.000 0.915 327 Q CA -0.121 55.676 55.803 -0.009 0.000 0.943 327 Q CB 0.809 29.550 28.738 0.004 0.000 1.064 327 Q HN -0.008 nan 8.270 nan 0.000 0.511 328 V N 2.467 122.339 119.914 -0.069 0.000 2.400 328 V HA -0.001 4.119 4.120 -0.001 0.000 0.263 328 V C 0.376 176.432 176.094 -0.064 0.000 1.026 328 V CA 0.417 62.662 62.300 -0.092 0.000 1.077 328 V CB -0.080 31.586 31.823 -0.261 0.000 1.054 328 V HN 0.191 nan 8.190 nan 0.000 0.477 329 R N 4.483 124.989 120.500 0.010 0.000 2.210 329 R HA 0.352 4.692 4.340 -0.001 0.000 0.338 329 R C -0.482 175.860 176.300 0.070 0.000 1.062 329 R CA -0.710 55.404 56.100 0.024 0.000 0.902 329 R CB 0.410 30.730 30.300 0.034 0.000 1.050 329 R HN 0.572 nan 8.270 nan 0.000 0.461 330 I N 3.772 124.374 120.570 0.055 0.000 2.517 330 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 330 I C 1.042 177.204 176.117 0.075 0.000 1.106 330 I CA 0.890 62.267 61.300 0.127 0.000 1.402 330 I CB 1.209 39.251 38.000 0.070 0.000 1.399 330 I HN 0.707 nan 8.210 nan 0.000 0.535 331 G N 3.769 112.648 108.800 0.131 0.000 3.086 331 G HA2 0.415 4.374 3.960 -0.001 0.000 0.282 331 G HA3 0.415 4.374 3.960 -0.001 0.000 0.282 331 G C -1.657 173.337 174.900 0.157 0.000 1.343 331 G CA -0.514 44.643 45.100 0.095 0.000 0.895 331 G HN 0.378 nan 8.290 nan 0.000 0.557 332 D N -0.112 120.377 120.400 0.148 0.000 2.210 332 D HA 0.484 5.123 4.640 -0.001 0.000 0.249 332 D C -1.230 175.206 176.300 0.227 0.000 1.078 332 D CA -1.647 52.476 54.000 0.205 0.000 0.875 332 D CB 2.198 43.099 40.800 0.169 0.000 1.175 332 D HN -0.086 nan 8.370 nan 0.000 0.440 333 P HA -0.242 nan 4.420 nan 0.000 0.224 333 P C 0.726 178.180 177.300 0.255 0.000 1.130 333 P CA 1.527 64.765 63.100 0.231 0.000 0.976 333 P CB 0.000 31.858 31.700 0.262 0.000 0.781 334 W N -0.504 120.848 121.300 0.087 0.000 1.647 334 W HA -0.119 4.541 4.660 -0.001 0.000 0.280 334 W C 0.910 177.407 176.519 -0.037 0.000 0.889 334 W CA 2.159 59.497 57.345 -0.012 0.000 0.967 334 W CB -1.302 28.108 29.460 -0.084 0.000 1.083 334 W HN -0.022 nan 8.180 nan 0.000 0.513 335 D N -2.170 118.396 120.400 0.277 0.000 7.360 335 D HA -0.239 4.400 4.640 -0.001 0.000 0.335 335 D C -1.602 174.738 176.300 0.067 0.000 2.731 335 D CA 1.592 55.674 54.000 0.137 0.000 1.590 335 D CB -1.176 39.698 40.800 0.123 0.000 1.192 335 D HN 0.008 nan 8.370 nan 0.000 1.286 336 P HA 0.086 nan 4.420 nan 0.000 0.200 336 P C 0.203 177.527 177.300 0.040 0.000 1.204 336 P CA 0.659 63.777 63.100 0.030 0.000 0.886 336 P CB 0.136 31.851 31.700 0.024 0.000 0.718 337 S N -0.286 115.439 115.700 0.041 0.000 2.694 337 S HA 0.231 4.700 4.470 -0.001 0.000 0.211 337 S C -0.204 174.432 174.600 0.060 0.000 1.328 337 S CA -0.419 57.806 58.200 0.042 0.000 1.236 337 S CB -1.711 61.509 63.200 0.033 0.000 1.121 337 S HN 0.011 nan 8.310 nan 0.000 0.517 338 T N 3.223 117.822 114.554 0.076 0.000 2.834 338 T HA 0.232 4.582 4.350 -0.001 0.000 0.298 338 T C 0.864 175.625 174.700 0.102 0.000 0.966 338 T CA 0.077 62.237 62.100 0.101 0.000 1.141 338 T CB 0.587 69.528 68.868 0.123 0.000 0.905 338 T HN 0.452 nan 8.240 nan 0.000 0.535 339 L N 3.457 124.759 121.223 0.131 0.000 2.910 339 L HA 0.459 4.798 4.340 -0.001 0.000 0.252 339 L C -0.434 176.576 176.870 0.233 0.000 1.195 339 L CA -0.326 54.601 54.840 0.144 0.000 1.003 339 L CB -0.036 42.114 42.059 0.152 0.000 1.328 339 L HN 0.624 nan 8.230 nan 0.000 0.540 340 Y N -0.594 119.741 120.300 0.058 0.000 2.288 340 Y HA 0.492 5.042 4.550 -0.001 0.000 0.319 340 Y C -0.256 175.716 175.900 0.120 0.000 1.349 340 Y CA -0.946 57.190 58.100 0.059 0.000 1.287 340 Y CB 0.550 39.033 38.460 0.040 0.000 1.296 340 Y HN -0.051 nan 8.280 nan 0.000 0.431 341 G N 4.181 112.831 108.800 -0.250 0.000 3.217 341 G HA2 0.744 4.704 3.960 -0.001 0.000 0.213 341 G HA3 0.744 4.704 3.960 -0.001 0.000 0.213 341 G C -3.109 171.505 174.900 -0.477 0.000 1.294 341 G CA -1.650 43.387 45.100 -0.104 0.000 0.987 341 G HN 0.344 nan 8.290 nan 0.000 0.584 342 P HA 0.367 nan 4.420 nan 0.000 0.278 342 P C -0.079 176.956 177.300 -0.440 0.000 1.258 342 P CA -0.485 62.093 63.100 -0.870 0.000 0.811 342 P CB 1.405 32.536 31.700 -0.948 0.000 1.063 343 L N 1.014 122.036 121.223 -0.334 0.000 2.473 343 L HA 0.047 4.386 4.340 -0.001 0.000 0.268 343 L C 2.254 179.050 176.870 -0.123 0.000 1.215 343 L CA -0.139 54.597 54.840 -0.172 0.000 0.823 343 L CB -0.288 41.691 42.059 -0.133 0.000 1.099 343 L HN 0.586 nan 8.230 nan 0.000 0.483 344 H N 0.408 119.382 119.070 -0.159 0.000 2.389 344 H HA -0.053 4.502 4.556 -0.001 0.000 0.299 344 H C 0.607 175.786 175.328 -0.249 0.000 1.081 344 H CA 1.397 57.305 56.048 -0.234 0.000 1.345 344 H CB 0.287 29.755 29.762 -0.491 0.000 1.393 344 H HN 0.760 nan 8.280 nan 0.000 0.520 345 T N -3.563 110.813 114.554 -0.296 0.000 2.838 345 T HA 0.325 4.674 4.350 -0.001 0.000 0.292 345 T C 0.762 175.364 174.700 -0.163 0.000 1.113 345 T CA -0.956 60.971 62.100 -0.288 0.000 1.008 345 T CB 2.022 70.733 68.868 -0.262 0.000 1.259 345 T HN 0.081 nan 8.240 nan 0.000 0.520 346 K N -0.112 120.202 120.400 -0.143 0.000 2.103 346 K HA -0.078 4.241 4.320 -0.001 0.000 0.204 346 K C 2.330 178.905 176.600 -0.043 0.000 1.052 346 K CA 1.269 57.504 56.287 -0.088 0.000 0.945 346 K CB -0.179 32.265 32.500 -0.093 0.000 0.722 346 K HN 0.490 nan 8.250 nan 0.000 0.443 347 Q N 0.445 120.219 119.800 -0.043 0.000 2.096 347 Q HA -0.147 4.193 4.340 -0.001 0.000 0.204 347 Q C 2.035 178.058 176.000 0.038 0.000 0.982 347 Q CA 1.833 57.635 55.803 -0.001 0.000 0.850 347 Q CB -0.405 28.331 28.738 -0.004 0.000 0.901 347 Q HN 0.349 nan 8.270 nan 0.000 0.422 348 A N 0.082 122.920 122.820 0.029 0.000 1.908 348 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 348 A C 2.319 179.966 177.584 0.104 0.000 1.181 348 A CA 1.740 53.828 52.037 0.085 0.000 0.627 348 A CB -0.887 18.148 19.000 0.059 0.000 0.818 348 A HN 0.242 nan 8.150 nan 0.000 0.445 349 V N 0.666 120.611 119.914 0.051 0.000 2.343 349 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 349 V C 2.145 178.342 176.094 0.172 0.000 1.051 349 V CA 2.234 64.580 62.300 0.078 0.000 1.036 349 V CB -0.834 31.000 31.823 0.018 0.000 0.654 349 V HN 0.516 nan 8.190 nan 0.000 0.451 350 D N -0.205 120.262 120.400 0.112 0.000 2.117 350 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 350 D C 2.381 178.756 176.300 0.125 0.000 0.987 350 D CA 1.115 55.178 54.000 0.105 0.000 0.829 350 D CB -0.289 40.548 40.800 0.061 0.000 0.961 350 D HN 0.508 nan 8.370 nan 0.000 0.460 351 Q N -0.029 119.855 119.800 0.140 0.000 2.096 351 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 351 Q C 2.252 178.361 176.000 0.182 0.000 0.982 351 Q CA 1.038 56.932 55.803 0.151 0.000 0.850 351 Q CB -0.795 28.050 28.738 0.178 0.000 0.901 351 Q HN 0.501 nan 8.270 nan 0.000 0.422 352 Y N 1.671 122.024 120.300 0.088 0.000 2.128 352 Y HA -0.220 4.329 4.550 -0.001 0.000 0.284 352 Y C 2.141 178.086 175.900 0.075 0.000 1.154 352 Y CA 1.459 59.611 58.100 0.087 0.000 1.149 352 Y CB -0.319 38.188 38.460 0.079 0.000 0.976 352 Y HN -0.027 nan 8.280 nan 0.000 0.505 353 L N -0.216 121.073 121.223 0.110 0.000 2.093 353 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 353 L C 2.789 179.641 176.870 -0.030 0.000 1.085 353 L CA 1.076 55.914 54.840 -0.003 0.000 0.755 353 L CB -0.840 41.281 42.059 0.104 0.000 0.904 353 L HN 0.391 nan 8.230 nan 0.000 0.435 354 A N -0.181 122.651 122.820 0.019 0.000 1.930 354 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 354 A C 2.496 180.086 177.584 0.011 0.000 1.175 354 A CA 1.494 53.542 52.037 0.019 0.000 0.627 354 A CB -0.570 18.454 19.000 0.040 0.000 0.815 354 A HN 0.381 nan 8.150 nan 0.000 0.443 355 A N 0.060 122.890 122.820 0.018 0.000 1.930 355 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 355 A C 1.999 179.591 177.584 0.013 0.000 1.175 355 A CA 1.370 53.436 52.037 0.049 0.000 0.627 355 A CB -0.458 18.609 19.000 0.111 0.000 0.815 355 A HN 0.393 nan 8.150 nan 0.000 0.443 356 I N 0.412 120.921 120.570 -0.102 0.000 2.118 356 I HA -0.223 3.947 4.170 -0.001 0.000 0.241 356 I C 2.415 178.503 176.117 -0.048 0.000 1.070 356 I CA 1.578 62.804 61.300 -0.124 0.000 1.327 356 I CB -1.404 36.448 38.000 -0.246 0.000 1.034 356 I HN 0.359 nan 8.210 nan 0.000 0.405 357 E N 0.670 120.847 120.200 -0.038 0.000 2.077 357 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 357 E C 2.169 178.764 176.600 -0.008 0.000 0.989 357 E CA 1.124 57.513 56.400 -0.018 0.000 0.800 357 E CB -0.397 29.296 29.700 -0.012 0.000 0.746 357 E HN 0.594 nan 8.360 nan 0.000 0.452 358 Q N 0.378 120.177 119.800 -0.001 0.000 2.124 358 Q HA -0.087 4.253 4.340 -0.001 0.000 0.202 358 Q C 2.164 178.164 176.000 -0.001 0.000 0.977 358 Q CA 1.531 57.333 55.803 -0.003 0.000 0.850 358 Q CB -0.225 28.514 28.738 0.001 0.000 0.901 358 Q HN 0.266 nan 8.270 nan 0.000 0.429 359 A N 1.420 124.256 122.820 0.027 0.000 1.883 359 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 359 A C 1.909 179.505 177.584 0.019 0.000 1.186 359 A CA 1.705 53.772 52.037 0.051 0.000 0.624 359 A CB -0.342 18.734 19.000 0.128 0.000 0.822 359 A HN 0.194 nan 8.150 nan 0.000 0.444 360 K N -0.723 119.681 120.400 0.007 0.000 2.002 360 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 360 K C 2.314 178.908 176.600 -0.010 0.000 1.048 360 K CA 1.840 58.125 56.287 -0.003 0.000 0.930 360 K CB -0.239 32.256 32.500 -0.008 0.000 0.714 360 K HN 0.569 nan 8.250 nan 0.000 0.438 361 Q N 0.546 120.338 119.800 -0.014 0.000 2.234 361 Q HA -0.166 4.173 4.340 -0.001 0.000 0.206 361 Q C 1.240 177.223 176.000 -0.029 0.000 0.980 361 Q CA 1.272 57.063 55.803 -0.020 0.000 0.869 361 Q CB 0.140 28.866 28.738 -0.020 0.000 0.912 361 Q HN 0.318 nan 8.270 nan 0.000 0.436 362 Q N -1.345 118.435 119.800 -0.033 0.000 2.246 362 Q HA 0.172 4.512 4.340 -0.001 0.000 0.202 362 Q C 0.309 176.281 176.000 -0.047 0.000 0.883 362 Q CA 0.326 56.098 55.803 -0.052 0.000 0.952 362 Q CB 0.968 29.662 28.738 -0.072 0.000 1.078 362 Q HN 0.458 nan 8.270 nan 0.000 0.493 363 G N -0.106 108.676 108.800 -0.030 0.000 2.134 363 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.209 363 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.209 363 G C 0.222 175.116 174.900 -0.010 0.000 0.993 363 G CA -0.414 44.671 45.100 -0.024 0.000 0.669 363 G HN 0.481 nan 8.290 nan 0.000 0.519 364 G N -0.391 108.411 108.800 0.002 0.000 2.444 364 G HA2 0.612 4.572 3.960 -0.001 0.000 0.268 364 G HA3 0.612 4.572 3.960 -0.001 0.000 0.268 364 G C -0.076 174.833 174.900 0.015 0.000 1.203 364 G CA 0.520 45.633 45.100 0.023 0.000 0.835 364 G HN 0.624 nan 8.290 nan 0.000 0.543 365 T N 1.822 116.387 114.554 0.018 0.000 2.792 365 T HA 0.345 4.695 4.350 -0.001 0.000 0.280 365 T C -0.172 174.528 174.700 -0.000 0.000 0.990 365 T CA -0.444 61.661 62.100 0.007 0.000 0.960 365 T CB 1.598 70.471 68.868 0.008 0.000 0.939 365 T HN 0.196 nan 8.240 nan 0.000 0.439 366 L N 4.073 125.290 121.223 -0.010 0.000 2.369 366 L HA 0.169 4.509 4.340 -0.001 0.000 0.279 366 L C 1.445 178.296 176.870 -0.031 0.000 1.108 366 L CA 0.379 55.204 54.840 -0.024 0.000 0.852 366 L CB 0.712 42.758 42.059 -0.021 0.000 1.169 366 L HN 0.578 nan 8.230 nan 0.000 0.452 367 V N 2.527 122.409 119.914 -0.054 0.000 2.488 367 V HA -0.077 4.043 4.120 -0.001 0.000 0.246 367 V C 0.637 176.689 176.094 -0.070 0.000 1.046 367 V CA 1.226 63.484 62.300 -0.070 0.000 1.053 367 V CB -0.004 31.752 31.823 -0.112 0.000 0.679 367 V HN 0.991 nan 8.190 nan 0.000 0.458 368 C N -3.600 115.658 119.300 -0.071 0.000 3.275 368 C HA 0.786 5.246 4.460 -0.001 0.000 0.340 368 C C 0.501 175.497 174.990 0.011 0.000 1.366 368 C CA -0.589 58.411 59.018 -0.031 0.000 1.227 368 C CB 0.949 28.664 27.740 -0.041 0.000 1.512 368 C HN 1.220 nan 8.230 nan 0.000 0.461 369 G N 0.323 109.157 108.800 0.057 0.000 2.598 369 G HA2 0.400 4.359 3.960 -0.001 0.000 0.244 369 G HA3 0.400 4.359 3.960 -0.001 0.000 0.244 369 G C 1.125 176.089 174.900 0.107 0.000 1.302 369 G CA 1.849 47.016 45.100 0.113 0.000 0.903 369 G HN 3.312 nan 8.290 nan 0.000 0.575 370 G N -2.210 106.703 108.800 0.189 0.000 2.218 370 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.216 370 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.216 370 G C 0.245 175.251 174.900 0.176 0.000 0.994 370 G CA 1.392 46.542 45.100 0.083 0.000 0.637 370 G HN 1.120 nan 8.290 nan 0.000 0.505 371 K N 0.640 121.186 120.400 0.243 0.000 2.207 371 K HA 0.631 4.951 4.320 -0.001 0.000 0.255 371 K C 0.239 176.980 176.600 0.236 0.000 0.941 371 K CA -0.885 55.528 56.287 0.209 0.000 0.825 371 K CB 2.946 35.516 32.500 0.116 0.000 1.119 371 K HN 0.031 nan 8.250 nan 0.000 0.430 372 V N 4.072 124.109 119.914 0.204 0.000 2.599 372 V HA 0.001 4.121 4.120 -0.001 0.000 0.300 372 V C 0.570 176.722 176.094 0.096 0.000 1.034 372 V CA 0.255 62.632 62.300 0.128 0.000 1.115 372 V CB 0.127 32.016 31.823 0.110 0.000 0.934 372 V HN 0.691 nan 8.190 nan 0.000 0.485 373 M N 3.621 123.276 119.600 0.092 0.000 2.217 373 M HA 0.186 4.666 4.480 -0.001 0.000 0.354 373 M C 0.150 176.488 176.300 0.062 0.000 1.225 373 M CA -0.204 55.142 55.300 0.077 0.000 1.137 373 M CB 0.315 32.970 32.600 0.090 0.000 1.576 373 M HN 0.591 nan 8.290 nan 0.000 0.461 374 D N 5.014 125.435 120.400 0.035 0.000 2.508 374 D HA 0.218 4.858 4.640 -0.001 0.000 0.224 374 D C -0.619 175.686 176.300 0.009 0.000 1.171 374 D CA 0.067 54.082 54.000 0.025 0.000 1.006 374 D CB 0.194 41.005 40.800 0.019 0.000 1.073 374 D HN 0.581 nan 8.370 nan 0.000 0.513 375 R N 1.020 121.532 120.500 0.021 0.000 2.765 375 R HA 0.481 4.821 4.340 -0.001 0.000 0.277 375 R C -3.025 173.308 176.300 0.056 0.000 1.028 375 R CA -1.530 54.571 56.100 0.002 0.000 0.860 375 R CB -0.429 29.821 30.300 -0.083 0.000 1.270 375 R HN -0.075 nan 8.270 nan 0.000 0.484 376 P HA 0.245 nan 4.420 nan 0.000 0.266 376 P C 0.103 177.537 177.300 0.223 0.000 1.193 376 P CA 1.615 64.774 63.100 0.098 0.000 0.770 376 P CB 0.440 32.187 31.700 0.078 0.000 0.836 377 G N 2.149 111.059 108.800 0.184 0.000 2.710 377 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.668 377 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.668 377 G C -0.442 174.518 174.900 0.099 0.000 1.320 377 G CA -0.791 44.416 45.100 0.178 0.000 0.860 377 G HN 0.542 nan 8.290 nan 0.000 0.538 378 N N 0.440 119.074 118.700 -0.110 0.000 3.052 378 N HA 0.229 4.969 4.740 -0.001 0.000 0.302 378 N C -0.560 174.821 175.510 -0.214 0.000 1.332 378 N CA 0.202 53.166 53.050 -0.144 0.000 1.129 378 N CB 0.008 38.386 38.487 -0.182 0.000 1.436 378 N HN 0.420 nan 8.380 nan 0.000 0.536 379 Y N 0.442 120.726 120.300 -0.028 0.000 2.359 379 Y HA 0.225 4.775 4.550 -0.001 0.000 0.334 379 Y C 0.987 176.859 175.900 -0.046 0.000 1.058 379 Y CA -0.722 57.375 58.100 -0.005 0.000 1.244 379 Y CB 0.868 39.352 38.460 0.039 0.000 1.187 379 Y HN -0.018 nan 8.280 nan 0.000 0.510 380 V N 0.088 120.021 119.914 0.031 0.000 2.914 380 V HA 0.566 4.685 4.120 -0.001 0.000 0.314 380 V C -0.547 175.545 176.094 -0.003 0.000 1.084 380 V CA -1.409 60.791 62.300 -0.165 0.000 0.963 380 V CB 1.971 33.268 31.823 -0.877 0.000 1.025 380 V HN 0.695 nan 8.190 nan 0.000 0.432 381 E N 3.275 123.500 120.200 0.042 0.000 2.360 381 E HA 0.328 4.677 4.350 -0.001 0.000 0.269 381 E C -2.529 174.165 176.600 0.156 0.000 1.022 381 E CA -1.637 54.816 56.400 0.090 0.000 0.887 381 E CB 0.856 30.635 29.700 0.132 0.000 0.990 381 E HN 0.613 nan 8.360 nan 0.000 0.426 382 P HA 0.035 nan 4.420 nan 0.000 0.271 382 P C -1.003 176.498 177.300 0.336 0.000 1.226 382 P CA 0.059 63.261 63.100 0.171 0.000 0.765 382 P CB 0.767 32.381 31.700 -0.144 0.000 0.835 383 T N 4.459 119.198 114.554 0.308 0.000 2.823 383 T HA 0.590 4.940 4.350 -0.001 0.000 0.279 383 T C 0.150 174.840 174.700 -0.017 0.000 0.998 383 T CA -0.339 61.842 62.100 0.136 0.000 0.994 383 T CB 0.611 69.534 68.868 0.092 0.000 0.960 383 T HN 0.174 nan 8.240 nan 0.000 0.448 384 I N 3.361 123.842 120.570 -0.148 0.000 2.433 384 I HA 0.521 4.690 4.170 -0.001 0.000 0.292 384 I C -0.699 175.335 176.117 -0.138 0.000 1.001 384 I CA -0.815 60.351 61.300 -0.224 0.000 1.119 384 I CB 1.676 39.445 38.000 -0.384 0.000 1.289 384 I HN 0.437 nan 8.210 nan 0.000 0.438 385 I N 5.263 125.771 120.570 -0.103 0.000 2.447 385 I HA 0.311 4.481 4.170 -0.001 0.000 0.287 385 I C 0.092 176.236 176.117 0.045 0.000 1.023 385 I CA -0.386 60.904 61.300 -0.017 0.000 1.083 385 I CB 2.207 40.226 38.000 0.032 0.000 1.245 385 I HN 0.576 nan 8.210 nan 0.000 0.434 386 T N 0.891 115.472 114.554 0.045 0.000 2.952 386 T HA 0.724 5.074 4.350 -0.001 0.000 0.286 386 T C 0.902 175.651 174.700 0.081 0.000 1.024 386 T CA 0.114 62.269 62.100 0.093 0.000 1.029 386 T CB 1.880 70.813 68.868 0.109 0.000 1.094 386 T HN 1.004 nan 8.240 nan 0.000 0.515 387 G N 0.300 109.152 108.800 0.085 0.000 2.234 387 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.235 387 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.235 387 G C -0.003 174.903 174.900 0.011 0.000 0.997 387 G CA -0.105 45.016 45.100 0.034 0.000 0.623 387 G HN 0.869 nan 8.290 nan 0.000 0.514 388 L N 1.601 122.839 121.223 0.024 0.000 2.461 388 L HA 0.562 4.902 4.340 -0.001 0.000 0.272 388 L C 1.389 178.214 176.870 -0.075 0.000 1.197 388 L CA -0.031 54.793 54.840 -0.025 0.000 0.836 388 L CB 0.853 42.904 42.059 -0.013 0.000 1.105 388 L HN 0.421 nan 8.230 nan 0.000 0.477 389 A N 0.848 123.580 122.820 -0.146 0.000 2.445 389 A HA 0.098 4.418 4.320 -0.001 0.000 0.242 389 A C 1.036 178.412 177.584 -0.348 0.000 1.075 389 A CA 0.128 52.015 52.037 -0.249 0.000 0.777 389 A CB -0.017 18.802 19.000 -0.303 0.000 1.013 389 A HN 1.001 nan 8.150 nan 0.000 0.493 390 H N 0.415 119.188 119.070 -0.495 0.000 2.426 390 H HA -0.139 4.416 4.556 -0.001 0.000 0.298 390 H C 0.443 175.580 175.328 -0.318 0.000 1.107 390 H CA 1.757 57.430 56.048 -0.624 0.000 1.298 390 H CB -0.106 28.679 29.762 -1.628 0.000 1.377 390 H HN 0.613 nan 8.280 nan 0.000 0.519 391 D N 0.523 120.412 120.400 -0.852 0.000 2.463 391 D HA 0.272 4.911 4.640 -0.001 0.000 0.224 391 D C 0.287 176.181 176.300 -0.676 0.000 1.174 391 D CA -0.026 53.513 54.000 -0.767 0.000 0.829 391 D CB -0.414 39.959 40.800 -0.713 0.000 0.993 391 D HN 0.630 nan 8.370 nan 0.000 0.497 392 A N 1.734 124.280 122.820 -0.456 0.000 2.524 392 A HA 0.268 4.587 4.320 -0.001 0.000 0.250 392 A C -1.150 176.237 177.584 -0.329 0.000 1.078 392 A CA -0.787 51.051 52.037 -0.332 0.000 0.761 392 A CB 0.392 19.247 19.000 -0.242 0.000 1.012 392 A HN -0.000 nan 8.150 nan 0.000 0.500 393 P HA -0.247 nan 4.420 nan 0.000 0.220 393 P C 1.428 178.644 177.300 -0.139 0.000 1.155 393 P CA 1.418 64.400 63.100 -0.197 0.000 0.880 393 P CB 0.054 31.673 31.700 -0.134 0.000 0.790 394 I N -1.064 119.406 120.570 -0.166 0.000 2.286 394 I HA -0.174 3.996 4.170 -0.001 0.000 0.248 394 I C 1.905 177.805 176.117 -0.362 0.000 1.115 394 I CA 1.412 62.600 61.300 -0.186 0.000 1.392 394 I CB -0.598 37.312 38.000 -0.151 0.000 1.065 394 I HN -0.237 nan 8.210 nan 0.000 0.418 395 V N 0.137 119.783 119.914 -0.446 0.000 2.427 395 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 395 V C 2.260 178.305 176.094 -0.081 0.000 1.051 395 V CA 2.048 64.059 62.300 -0.482 0.000 1.048 395 V CB -1.140 30.514 31.823 -0.281 0.000 0.666 395 V HN 0.515 nan 8.190 nan 0.000 0.456 396 H N -0.575 118.389 119.070 -0.177 0.000 2.547 396 H HA 0.046 4.602 4.556 -0.001 0.000 0.272 396 H C 0.527 175.829 175.328 -0.044 0.000 0.989 396 H CA 0.355 56.351 56.048 -0.087 0.000 1.214 396 H CB 0.261 29.973 29.762 -0.085 0.000 1.389 396 H HN 0.397 nan 8.280 nan 0.000 0.577 397 T N 0.928 115.519 114.554 0.063 0.000 2.837 397 T HA 0.055 4.405 4.350 -0.001 0.000 0.285 397 T C 0.194 174.966 174.700 0.120 0.000 0.984 397 T CA -0.630 61.516 62.100 0.076 0.000 1.049 397 T CB 2.368 71.272 68.868 0.059 0.000 0.947 397 T HN 0.257 nan 8.240 nan 0.000 0.472 398 E N 2.570 122.859 120.200 0.150 0.000 2.129 398 E HA 0.156 4.506 4.350 -0.001 0.000 0.283 398 E C -0.732 176.017 176.600 0.247 0.000 1.080 398 E CA -0.328 56.202 56.400 0.216 0.000 0.867 398 E CB 0.307 30.139 29.700 0.220 0.000 1.056 398 E HN 0.513 nan 8.360 nan 0.000 0.404 399 T N 5.203 119.933 114.554 0.293 0.000 2.756 399 T HA 0.177 4.527 4.350 -0.001 0.000 0.290 399 T C -0.197 174.728 174.700 0.375 0.000 0.985 399 T CA -0.524 61.760 62.100 0.307 0.000 0.955 399 T CB 0.273 69.307 68.868 0.277 0.000 0.930 399 T HN 0.322 nan 8.240 nan 0.000 0.451 400 F N 5.631 125.702 119.950 0.202 0.000 2.651 400 F HA 0.372 4.899 4.527 -0.001 0.000 0.369 400 F C 0.368 176.296 175.800 0.214 0.000 1.187 400 F CA -0.810 57.317 58.000 0.211 0.000 1.335 400 F CB -0.810 38.334 39.000 0.240 0.000 1.707 400 F HN 0.392 nan 8.300 nan 0.000 0.637 401 V N -0.357 119.648 119.914 0.152 0.000 3.147 401 V HA 0.589 4.709 4.120 -0.001 0.000 0.306 401 V C -2.749 173.432 176.094 0.145 0.000 1.209 401 V CA -2.159 60.238 62.300 0.161 0.000 1.023 401 V CB 2.022 34.038 31.823 0.322 0.000 1.059 401 V HN 0.030 nan 8.190 nan 0.000 0.435 402 P HA 0.426 nan 4.420 nan 0.000 0.226 402 P C -0.537 176.893 177.300 0.217 0.000 1.783 402 P CA 0.265 63.475 63.100 0.185 0.000 0.980 402 P CB -0.494 31.352 31.700 0.242 0.000 1.967 403 I N 1.928 122.553 120.570 0.091 0.000 2.433 403 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 403 I C -0.126 175.813 176.117 -0.297 0.000 1.001 403 I CA -1.220 60.009 61.300 -0.120 0.000 1.119 403 I CB 2.276 40.112 38.000 -0.273 0.000 1.289 403 I HN -0.037 nan 8.210 nan 0.000 0.438 404 L N 7.790 128.838 121.223 -0.292 0.000 2.319 404 L HA 0.472 4.812 4.340 -0.001 0.000 0.281 404 L C -1.376 175.320 176.870 -0.290 0.000 1.005 404 L CA -0.238 54.471 54.840 -0.218 0.000 0.828 404 L CB 0.706 42.742 42.059 -0.038 0.000 1.227 404 L HN 0.273 nan 8.230 nan 0.000 0.415 405 Y N 4.561 124.900 120.300 0.064 0.000 2.350 405 Y HA 0.490 5.039 4.550 -0.001 0.000 0.340 405 Y C 0.158 176.098 175.900 0.065 0.000 1.006 405 Y CA -0.753 57.380 58.100 0.055 0.000 1.166 405 Y CB 1.121 39.619 38.460 0.063 0.000 1.168 405 Y HN 0.266 nan 8.280 nan 0.000 0.502 406 V N 5.949 125.972 119.914 0.180 0.000 2.383 406 V HA 0.272 4.391 4.120 -0.001 0.000 0.275 406 V C -0.324 175.907 176.094 0.228 0.000 1.036 406 V CA -0.622 61.772 62.300 0.157 0.000 0.889 406 V CB 0.821 32.679 31.823 0.060 0.000 0.985 406 V HN 0.457 nan 8.190 nan 0.000 0.459 407 L N 5.004 126.388 121.223 0.268 0.000 2.325 407 L HA 0.570 4.910 4.340 -0.001 0.000 0.278 407 L C -0.009 177.112 176.870 0.418 0.000 1.023 407 L CA -0.342 54.686 54.840 0.312 0.000 0.811 407 L CB 1.594 43.859 42.059 0.343 0.000 1.249 407 L HN 0.548 nan 8.230 nan 0.000 0.431 408 K N 3.092 123.703 120.400 0.352 0.000 2.235 408 K HA 0.579 4.898 4.320 -0.001 0.000 0.266 408 K C -1.313 175.513 176.600 0.377 0.000 0.980 408 K CA -0.427 55.999 56.287 0.232 0.000 0.849 408 K CB 1.066 33.467 32.500 -0.164 0.000 1.098 408 K HN 0.470 nan 8.250 nan 0.000 0.445 409 F N 1.853 121.845 119.950 0.071 0.000 2.640 409 F HA 0.511 5.038 4.527 -0.001 0.000 0.324 409 F C 0.335 176.000 175.800 -0.225 0.000 1.077 409 F CA -0.894 57.051 58.000 -0.091 0.000 0.965 409 F CB 1.623 40.416 39.000 -0.345 0.000 1.351 409 F HN 0.500 nan 8.300 nan 0.000 0.487 410 K N -0.016 120.319 120.400 -0.108 0.000 2.363 410 K HA 0.205 4.525 4.320 -0.001 0.000 0.215 410 K C 0.153 176.861 176.600 0.181 0.000 1.179 410 K CA 0.769 56.956 56.287 -0.168 0.000 0.856 410 K CB 0.213 32.654 32.500 -0.098 0.000 1.371 410 K HN 0.890 nan 8.250 nan 0.000 0.455 411 T N -0.754 113.892 114.554 0.153 0.000 2.913 411 T HA 0.127 4.477 4.350 -0.001 0.000 0.287 411 T C 0.952 175.720 174.700 0.114 0.000 1.008 411 T CA -0.568 61.605 62.100 0.121 0.000 1.067 411 T CB 1.728 70.595 68.868 -0.001 0.000 0.996 411 T HN 0.361 nan 8.240 nan 0.000 0.513 412 E N 0.720 120.966 120.200 0.077 0.000 2.085 412 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 412 E C 1.865 178.196 176.600 -0.448 0.000 0.994 412 E CA 1.487 57.811 56.400 -0.127 0.000 0.801 412 E CB -0.083 29.444 29.700 -0.290 0.000 0.743 412 E HN 0.896 nan 8.360 nan 0.000 0.453 413 E N 0.358 120.384 120.200 -0.290 0.000 2.097 413 E HA -0.268 4.081 4.350 -0.001 0.000 0.196 413 E C 1.984 178.441 176.600 -0.238 0.000 1.000 413 E CA 1.465 57.737 56.400 -0.213 0.000 0.804 413 E CB 0.007 29.640 29.700 -0.111 0.000 0.740 413 E HN 0.350 nan 8.360 nan 0.000 0.454 414 E N -0.123 119.861 120.200 -0.361 0.000 2.023 414 E HA -0.248 4.102 4.350 -0.001 0.000 0.196 414 E C 2.044 178.007 176.600 -1.062 0.000 1.003 414 E CA 1.147 57.103 56.400 -0.739 0.000 0.809 414 E CB -0.198 29.006 29.700 -0.826 0.000 0.755 414 E HN 0.357 nan 8.360 nan 0.000 0.449 415 A N 0.940 123.213 122.820 -0.911 0.000 1.865 415 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 415 A C 1.965 179.486 177.584 -0.105 0.000 1.191 415 A CA 1.439 52.999 52.037 -0.795 0.000 0.623 415 A CB -0.857 17.379 19.000 -1.273 0.000 0.826 415 A HN 0.199 nan 8.150 nan 0.000 0.444 416 F N 0.189 120.031 119.950 -0.181 0.000 2.091 416 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 416 F C 2.921 178.753 175.800 0.054 0.000 1.103 416 F CA 0.562 58.608 58.000 0.077 0.000 1.228 416 F CB -1.354 37.727 39.000 0.135 0.000 0.984 416 F HN 0.292 nan 8.300 nan 0.000 0.477 417 A N -0.513 122.407 122.820 0.166 0.000 1.908 417 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 417 A C 2.081 179.822 177.584 0.263 0.000 1.181 417 A CA 1.612 53.740 52.037 0.151 0.000 0.627 417 A CB -1.289 17.765 19.000 0.090 0.000 0.818 417 A HN 0.456 nan 8.150 nan 0.000 0.445 418 W N 0.043 121.356 121.300 0.022 0.000 2.388 418 W HA -0.088 4.572 4.660 -0.001 0.000 0.294 418 W C 2.067 178.613 176.519 0.045 0.000 1.212 418 W CA 0.663 58.022 57.345 0.023 0.000 1.271 418 W CB -1.456 27.989 29.460 -0.024 0.000 1.126 418 W HN 0.584 nan 8.180 nan 0.000 0.535 419 N N 0.779 119.654 118.700 0.292 0.000 2.104 419 N HA -0.199 4.541 4.740 -0.001 0.000 0.190 419 N C 1.281 176.866 175.510 0.125 0.000 1.024 419 N CA 1.975 55.151 53.050 0.210 0.000 0.853 419 N CB -0.395 38.255 38.487 0.272 0.000 1.008 419 N HN -0.100 nan 8.380 nan 0.000 0.424 420 N N 0.204 118.975 118.700 0.119 0.000 2.416 420 N HA -0.083 4.657 4.740 -0.001 0.000 0.177 420 N C 1.124 176.657 175.510 0.039 0.000 1.036 420 N CA 0.719 53.801 53.050 0.054 0.000 0.901 420 N CB -0.251 38.267 38.487 0.051 0.000 0.976 420 N HN 0.679 nan 8.380 nan 0.000 0.444 421 E N 0.879 121.126 120.200 0.078 0.000 2.265 421 E HA -0.085 4.265 4.350 -0.001 0.000 0.196 421 E C 0.841 177.403 176.600 -0.064 0.000 0.996 421 E CA 0.389 56.830 56.400 0.070 0.000 0.832 421 E CB -0.197 29.622 29.700 0.199 0.000 0.756 421 E HN 0.137 nan 8.360 nan 0.000 0.491 422 V N -1.095 118.701 119.914 -0.197 0.000 3.264 422 V HA 0.030 4.149 4.120 -0.001 0.000 0.304 422 V C 1.096 177.081 176.094 -0.182 0.000 1.086 422 V CA -0.393 61.717 62.300 -0.316 0.000 1.090 422 V CB 1.414 33.023 31.823 -0.356 0.000 1.112 422 V HN 0.085 nan 8.190 nan 0.000 0.472 423 Q N -0.284 119.381 119.800 -0.225 0.000 2.269 423 Q HA 0.034 4.373 4.340 -0.001 0.000 0.201 423 Q C 0.469 176.352 176.000 -0.195 0.000 0.946 423 Q CA 0.583 56.170 55.803 -0.360 0.000 0.877 423 Q CB 0.077 28.343 28.738 -0.788 0.000 0.963 423 Q HN 0.846 nan 8.270 nan 0.000 0.472 424 Q N -0.720 119.030 119.800 -0.084 0.000 2.443 424 Q HA 0.368 4.708 4.340 -0.001 0.000 0.232 424 Q C 0.361 176.357 176.000 -0.006 0.000 1.026 424 Q CA 0.701 56.510 55.803 0.011 0.000 0.924 424 Q CB 0.753 29.514 28.738 0.038 0.000 1.256 424 Q HN 0.255 nan 8.270 nan 0.000 0.519 425 G N -0.002 108.798 108.800 0.001 0.000 5.528 425 G HA2 0.156 4.116 3.960 -0.001 0.000 0.194 425 G HA3 0.156 4.116 3.960 -0.001 0.000 0.194 425 G C -0.396 174.467 174.900 -0.062 0.000 0.679 425 G CA -0.245 44.835 45.100 -0.033 0.000 0.640 425 G HN 0.413 nan 8.290 nan 0.000 0.397 426 L N 0.434 121.630 121.223 -0.045 0.000 1.995 426 L HA 0.561 4.901 4.340 -0.001 0.000 0.206 426 L C 1.104 177.911 176.870 -0.105 0.000 1.098 426 L CA 1.577 56.358 54.840 -0.098 0.000 0.762 426 L CB -0.210 41.820 42.059 -0.048 0.000 0.900 426 L HN 0.171 nan 8.230 nan 0.000 0.441 427 S N -1.439 114.248 115.700 -0.022 0.000 2.600 427 S HA 0.770 5.240 4.470 -0.001 0.000 0.300 427 S C -0.913 173.736 174.600 0.081 0.000 1.087 427 S CA -0.077 58.132 58.200 0.015 0.000 0.965 427 S CB 1.059 64.300 63.200 0.067 0.000 1.089 427 S HN 0.654 nan 8.310 nan 0.000 0.496 428 S N 1.521 117.296 115.700 0.125 0.000 2.537 428 S HA 0.762 5.231 4.470 -0.001 0.000 0.271 428 S C -1.331 173.503 174.600 0.389 0.000 1.148 428 S CA -0.732 57.632 58.200 0.272 0.000 0.868 428 S CB 1.419 64.802 63.200 0.305 0.000 1.115 428 S HN 0.563 nan 8.310 nan 0.000 0.461 429 S N 1.151 117.079 115.700 0.380 0.000 2.540 429 S HA 0.749 5.219 4.470 -0.001 0.000 0.275 429 S C -0.711 173.868 174.600 -0.036 0.000 1.123 429 S CA -0.880 57.461 58.200 0.234 0.000 0.907 429 S CB 1.137 64.465 63.200 0.214 0.000 1.081 429 S HN 1.050 nan 8.310 nan 0.000 0.476 430 I N -0.977 119.389 120.570 -0.341 0.000 2.569 430 I HA 0.762 4.931 4.170 -0.001 0.000 0.296 430 I C -1.620 174.410 176.117 -0.146 0.000 1.028 430 I CA -0.837 60.270 61.300 -0.321 0.000 1.082 430 I CB 1.287 38.848 38.000 -0.731 0.000 1.264 430 I HN 0.392 nan 8.210 nan 0.000 0.429 431 F N 3.314 123.287 119.950 0.039 0.000 2.402 431 F HA 0.740 5.267 4.527 -0.001 0.000 0.355 431 F C 0.415 176.292 175.800 0.128 0.000 1.123 431 F CA -0.311 57.730 58.000 0.068 0.000 1.021 431 F CB 1.939 40.982 39.000 0.073 0.000 1.160 431 F HN 0.694 nan 8.300 nan 0.000 0.451 432 T N 2.007 116.647 114.554 0.143 0.000 2.786 432 T HA 0.300 4.649 4.350 -0.001 0.000 0.316 432 T C -0.035 174.674 174.700 0.015 0.000 1.503 432 T CA -0.642 61.501 62.100 0.072 0.000 1.019 432 T CB 1.625 70.434 68.868 -0.097 0.000 1.415 432 T HN 0.643 nan 8.240 nan 0.000 0.496 433 K N 0.515 120.917 120.400 0.004 0.000 2.374 433 K HA 0.200 4.520 4.320 -0.001 0.000 0.202 433 K C -0.060 176.531 176.600 -0.016 0.000 1.040 433 K CA -0.236 56.051 56.287 0.001 0.000 1.085 433 K CB 0.488 32.999 32.500 0.018 0.000 0.873 433 K HN 0.450 nan 8.250 nan 0.000 0.539 434 D N 1.657 122.027 120.400 -0.050 0.000 2.336 434 D HA -0.033 4.606 4.640 -0.001 0.000 0.249 434 D C 1.023 177.315 176.300 -0.012 0.000 1.213 434 D CA -0.106 53.864 54.000 -0.050 0.000 0.870 434 D CB 1.161 41.894 40.800 -0.113 0.000 1.076 434 D HN -0.048 nan 8.370 nan 0.000 0.483 435 L N 5.537 126.783 121.223 0.038 0.000 2.013 435 L HA -0.093 4.246 4.340 -0.001 0.000 0.212 435 L C 2.194 179.183 176.870 0.198 0.000 1.073 435 L CA 2.570 57.484 54.840 0.124 0.000 0.753 435 L CB -0.777 41.352 42.059 0.116 0.000 0.890 435 L HN 0.595 nan 8.230 nan 0.000 0.432 436 G N -1.261 107.607 108.800 0.112 0.000 2.418 436 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.217 436 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.217 436 G C 1.802 176.778 174.900 0.126 0.000 1.158 436 G CA 0.762 45.934 45.100 0.119 0.000 0.771 436 G HN 0.425 nan 8.290 nan 0.000 0.545 437 R N -0.125 120.395 120.500 0.033 0.000 2.081 437 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 437 R C 2.659 179.022 176.300 0.104 0.000 1.131 437 R CA 1.355 57.454 56.100 -0.002 0.000 0.960 437 R CB -0.402 29.753 30.300 -0.242 0.000 0.856 437 R HN 0.235 nan 8.270 nan 0.000 0.436 438 V N 0.561 120.499 119.914 0.040 0.000 2.252 438 V HA -0.283 3.836 4.120 -0.001 0.000 0.249 438 V C 1.996 178.065 176.094 -0.041 0.000 1.056 438 V CA 2.043 64.324 62.300 -0.032 0.000 1.022 438 V CB -0.551 31.162 31.823 -0.183 0.000 0.641 438 V HN 0.283 nan 8.190 nan 0.000 0.445 439 F N -0.310 119.695 119.950 0.092 0.000 2.367 439 F HA -0.000 4.527 4.527 -0.001 0.000 0.298 439 F C 2.531 178.385 175.800 0.090 0.000 1.094 439 F CA 1.006 59.048 58.000 0.069 0.000 1.409 439 F CB -0.338 38.683 39.000 0.035 0.000 1.064 439 F HN -0.045 nan 8.300 nan 0.000 0.528 440 R N -0.468 120.207 120.500 0.290 0.000 2.075 440 R HA -0.215 4.124 4.340 -0.001 0.000 0.232 440 R C 2.263 178.740 176.300 0.294 0.000 1.126 440 R CA 1.530 57.799 56.100 0.282 0.000 0.963 440 R CB -0.857 29.626 30.300 0.306 0.000 0.858 440 R HN 0.496 nan 8.270 nan 0.000 0.435 441 W N 0.989 122.325 121.300 0.061 0.000 2.342 441 W HA -0.203 4.457 4.660 -0.001 0.000 0.297 441 W C 1.009 177.402 176.519 -0.210 0.000 1.213 441 W CA 0.834 58.040 57.345 -0.233 0.000 1.251 441 W CB 0.108 29.444 29.460 -0.207 0.000 1.136 441 W HN 0.080 nan 8.180 nan 0.000 0.526 442 L N 0.662 121.804 121.223 -0.136 0.000 2.270 442 L HA 0.182 4.522 4.340 -0.001 0.000 0.210 442 L C 1.981 178.759 176.870 -0.153 0.000 1.104 442 L CA 1.443 56.142 54.840 -0.235 0.000 0.804 442 L CB -1.390 40.576 42.059 -0.154 0.000 0.937 442 L HN -0.148 nan 8.230 nan 0.000 0.450 443 G N -0.729 108.044 108.800 -0.045 0.000 2.508 443 G HA2 0.227 4.187 3.960 -0.001 0.000 0.278 443 G HA3 0.227 4.187 3.960 -0.001 0.000 0.278 443 G C -1.538 173.329 174.900 -0.055 0.000 1.389 443 G CA -0.187 44.905 45.100 -0.012 0.000 1.050 443 G HN 0.111 nan 8.290 nan 0.000 0.522 444 P HA 0.019 nan 4.420 nan 0.000 0.223 444 P C 0.687 177.980 177.300 -0.013 0.000 1.151 444 P CA 0.975 64.058 63.100 -0.028 0.000 0.787 444 P CB 0.328 32.024 31.700 -0.007 0.000 0.788 445 K N -0.126 120.291 120.400 0.028 0.000 2.498 445 K HA 0.322 4.642 4.320 -0.001 0.000 0.207 445 K C 1.203 177.882 176.600 0.131 0.000 1.033 445 K CA -0.036 56.298 56.287 0.080 0.000 1.138 445 K CB 0.785 33.352 32.500 0.112 0.000 0.860 445 K HN 0.110 nan 8.250 nan 0.000 0.490 446 G N 0.630 109.413 108.800 -0.029 0.000 2.945 446 G HA2 0.074 4.034 3.960 -0.001 0.000 0.156 446 G HA3 0.074 4.034 3.960 -0.001 0.000 0.156 446 G C -0.413 174.202 174.900 -0.476 0.000 1.375 446 G CA -0.307 44.636 45.100 -0.261 0.000 1.039 446 G HN 0.126 nan 8.290 nan 0.000 0.586 447 S N 0.058 115.154 115.700 -1.007 0.000 2.568 447 S HA 0.161 4.631 4.470 -0.001 0.000 0.282 447 S C 0.629 174.923 174.600 -0.510 0.000 1.338 447 S CA 0.420 58.044 58.200 -0.961 0.000 1.045 447 S CB 0.732 62.921 63.200 -1.685 0.000 0.873 447 S HN 0.564 nan 8.310 nan 0.000 0.516 448 D N 2.203 122.416 120.400 -0.312 0.000 2.388 448 D HA 0.176 4.815 4.640 -0.001 0.000 0.221 448 D C 0.242 176.432 176.300 -0.184 0.000 1.133 448 D CA -0.311 53.568 54.000 -0.203 0.000 0.831 448 D CB -0.876 39.855 40.800 -0.115 0.000 0.962 448 D HN 0.281 nan 8.370 nan 0.000 0.502 449 C N -0.383 118.777 119.300 -0.233 0.000 2.403 449 C HA 0.687 5.147 4.460 -0.001 0.000 0.361 449 C C 2.245 177.114 174.990 -0.203 0.000 1.274 449 C CA -0.163 58.744 59.018 -0.185 0.000 2.433 449 C CB 1.107 28.751 27.740 -0.160 0.000 2.323 449 C HN 0.466 nan 8.230 nan 0.000 0.614 450 G N 0.451 109.135 108.800 -0.193 0.000 2.430 450 G HA2 0.094 4.054 3.960 -0.001 0.000 0.216 450 G HA3 0.094 4.054 3.960 -0.001 0.000 0.216 450 G C 0.425 175.192 174.900 -0.222 0.000 1.146 450 G CA 0.765 45.735 45.100 -0.217 0.000 0.793 450 G HN 0.589 nan 8.290 nan 0.000 0.537 451 I N 1.455 121.902 120.570 -0.205 0.000 2.362 451 I HA 0.406 4.575 4.170 -0.001 0.000 0.289 451 I C -0.905 175.138 176.117 -0.122 0.000 0.994 451 I CA -1.125 60.086 61.300 -0.148 0.000 1.158 451 I CB 1.508 39.445 38.000 -0.106 0.000 1.315 451 I HN -0.264 nan 8.210 nan 0.000 0.451 452 V N 6.578 126.411 119.914 -0.135 0.000 2.385 452 V HA 0.384 4.504 4.120 -0.001 0.000 0.277 452 V C -0.185 175.909 176.094 0.001 0.000 1.012 452 V CA -0.654 61.539 62.300 -0.179 0.000 0.832 452 V CB 1.235 32.773 31.823 -0.474 0.000 1.028 452 V HN 0.647 nan 8.190 nan 0.000 0.436 453 N N 2.398 121.209 118.700 0.184 0.000 2.443 453 N HA 0.730 5.470 4.740 -0.001 0.000 0.293 453 N C -0.808 174.787 175.510 0.142 0.000 1.159 453 N CA -0.417 52.706 53.050 0.122 0.000 0.904 453 N CB 2.589 41.112 38.487 0.061 0.000 1.214 453 N HN 0.315 nan 8.380 nan 0.000 0.513 454 V N 2.357 122.244 119.914 -0.045 0.000 2.483 454 V HA 0.296 4.416 4.120 -0.001 0.000 0.297 454 V C -0.001 175.881 176.094 -0.354 0.000 1.027 454 V CA -0.771 61.418 62.300 -0.185 0.000 0.855 454 V CB 1.182 32.938 31.823 -0.112 0.000 0.995 454 V HN 0.698 nan 8.190 nan 0.000 0.424 455 N N 2.256 120.512 118.700 -0.740 0.000 2.713 455 N HA -0.211 4.529 4.740 -0.001 0.000 0.251 455 N C -0.498 174.634 175.510 -0.629 0.000 1.117 455 N CA 1.465 53.952 53.050 -0.938 0.000 0.770 455 N CB -0.629 37.672 38.487 -0.309 0.000 1.137 455 N HN 0.758 nan 8.380 nan 0.000 0.566 456 I N -0.756 119.503 120.570 -0.518 0.000 2.647 456 I HA 0.463 4.633 4.170 -0.001 0.000 0.295 456 I C -2.342 173.798 176.117 0.039 0.000 1.078 456 I CA -2.057 59.189 61.300 -0.090 0.000 1.048 456 I CB 2.464 40.453 38.000 -0.018 0.000 1.239 456 I HN -0.282 nan 8.210 nan 0.000 0.421 457 P HA 0.120 nan 4.420 nan 0.000 0.285 457 P C 0.406 177.838 177.300 0.219 0.000 1.282 457 P CA 0.066 63.364 63.100 0.331 0.000 0.778 457 P CB 0.194 32.075 31.700 0.301 0.000 1.222 458 T N -4.641 110.045 114.554 0.220 0.000 3.085 458 T HA -0.037 4.313 4.350 -0.001 0.000 0.263 458 T C 1.148 175.956 174.700 0.180 0.000 1.127 458 T CA 1.002 63.215 62.100 0.188 0.000 1.103 458 T CB -1.015 67.966 68.868 0.189 0.000 0.921 458 T HN 0.375 nan 8.240 nan 0.000 0.510 459 S N 0.417 116.227 115.700 0.183 0.000 2.557 459 S HA 0.397 4.866 4.470 -0.001 0.000 0.223 459 S C 1.216 175.906 174.600 0.151 0.000 0.969 459 S CA -0.450 57.858 58.200 0.180 0.000 0.927 459 S CB 0.040 63.348 63.200 0.180 0.000 0.806 459 S HN 0.613 nan 8.310 nan 0.000 0.489 460 G N 1.399 110.281 108.800 0.136 0.000 2.439 460 G HA2 0.554 4.513 3.960 -0.001 0.000 0.298 460 G HA3 0.554 4.513 3.960 -0.001 0.000 0.298 460 G C -0.305 174.651 174.900 0.092 0.000 1.044 460 G CA 0.031 45.191 45.100 0.101 0.000 1.168 460 G HN 0.711 nan 8.290 nan 0.000 0.433 461 A N 3.247 126.117 122.820 0.083 0.000 2.540 461 A HA 0.753 5.073 4.320 -0.001 0.000 0.297 461 A C -0.431 177.166 177.584 0.023 0.000 1.056 461 A CA -0.879 51.203 52.037 0.075 0.000 0.700 461 A CB 1.440 20.550 19.000 0.183 0.000 1.280 461 A HN 0.773 nan 8.150 nan 0.000 0.398 462 E N 1.822 122.014 120.200 -0.014 0.000 2.359 462 E HA 0.630 4.979 4.350 -0.001 0.000 0.266 462 E C -0.025 176.504 176.600 -0.119 0.000 0.920 462 E CA -0.938 55.436 56.400 -0.042 0.000 0.788 462 E CB 1.356 31.035 29.700 -0.035 0.000 1.279 462 E HN 0.330 nan 8.360 nan 0.000 0.438 463 I N 1.360 121.851 120.570 -0.131 0.000 2.194 463 I HA -0.248 3.921 4.170 -0.001 0.000 0.246 463 I C 2.290 178.128 176.117 -0.466 0.000 1.093 463 I CA 2.243 63.382 61.300 -0.268 0.000 1.355 463 I CB -0.461 37.418 38.000 -0.201 0.000 1.046 463 I HN 0.898 nan 8.210 nan 0.000 0.413 464 G N -0.029 108.554 108.800 -0.361 0.000 2.462 464 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.220 464 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.220 464 G C 0.906 175.686 174.900 -0.200 0.000 1.121 464 G CA 0.802 45.710 45.100 -0.320 0.000 0.758 464 G HN 0.502 nan 8.290 nan 0.000 0.559 465 G N -0.946 107.754 108.800 -0.167 0.000 2.434 465 G HA2 0.613 4.573 3.960 -0.001 0.000 0.330 465 G HA3 0.613 4.573 3.960 -0.001 0.000 0.330 465 G C -0.136 174.688 174.900 -0.127 0.000 1.155 465 G CA 0.024 45.059 45.100 -0.108 0.000 0.917 465 G HN 0.500 nan 8.290 nan 0.000 0.493 466 A N 0.229 122.991 122.820 -0.096 0.000 2.511 466 A HA 0.492 4.812 4.320 -0.001 0.000 0.242 466 A C -0.814 176.710 177.584 -0.101 0.000 1.069 466 A CA -0.061 51.914 52.037 -0.103 0.000 0.763 466 A CB 0.057 18.998 19.000 -0.098 0.000 1.001 466 A HN 0.807 nan 8.150 nan 0.000 0.498 467 F N 2.313 122.085 119.950 -0.298 0.000 2.467 467 F HA 0.646 5.172 4.527 -0.001 0.000 0.336 467 F C 0.454 176.112 175.800 -0.236 0.000 1.123 467 F CA 0.881 58.687 58.000 -0.322 0.000 0.964 467 F CB 1.502 40.165 39.000 -0.561 0.000 1.136 467 F HN 1.048 nan 8.300 nan 0.000 0.447 468 G N 2.697 110.948 108.800 -0.915 0.000 2.337 468 G HA2 0.437 4.396 3.960 -0.001 0.000 0.298 468 G HA3 0.437 4.396 3.960 -0.001 0.000 0.298 468 G C -1.497 173.125 174.900 -0.464 0.000 1.335 468 G CA -0.265 44.465 45.100 -0.617 0.000 0.875 468 G HN 1.071 nan 8.290 nan 0.000 0.579 469 G N -1.436 107.193 108.800 -0.285 0.000 3.108 469 G HA2 0.751 4.711 3.960 -0.001 0.000 0.268 469 G HA3 0.751 4.711 3.960 -0.001 0.000 0.268 469 G C -0.999 173.826 174.900 -0.124 0.000 1.361 469 G CA -0.361 44.622 45.100 -0.196 0.000 1.047 469 G HN 0.564 nan 8.290 nan 0.000 0.540 470 E N -0.553 119.592 120.200 -0.092 0.000 2.447 470 E HA 0.406 4.756 4.350 -0.001 0.000 0.251 470 E C 0.172 176.764 176.600 -0.014 0.000 0.910 470 E CA -0.674 55.689 56.400 -0.062 0.000 0.841 470 E CB 1.419 31.074 29.700 -0.075 0.000 1.403 470 E HN 0.607 nan 8.360 nan 0.000 0.400 471 K N -0.274 120.131 120.400 0.008 0.000 1.824 471 K HA -0.300 4.020 4.320 -0.001 0.000 0.120 471 K C 1.260 177.945 176.600 0.141 0.000 1.268 471 K CA 1.790 58.125 56.287 0.080 0.000 0.420 471 K CB -1.114 31.424 32.500 0.063 0.000 0.586 471 K HN 0.484 nan 8.250 nan 0.000 0.907 472 H N 0.669 119.730 119.070 -0.014 0.000 2.561 472 H HA 0.023 4.578 4.556 -0.001 0.000 0.278 472 H C 1.643 176.973 175.328 0.002 0.000 1.014 472 H CA 1.598 57.644 56.048 -0.003 0.000 1.211 472 H CB -0.194 29.575 29.762 0.012 0.000 1.365 472 H HN 0.401 nan 8.280 nan 0.000 0.594 473 T N -1.871 112.740 114.554 0.094 0.000 3.055 473 T HA 0.107 4.457 4.350 -0.001 0.000 0.265 473 T C 1.812 176.522 174.700 0.016 0.000 1.111 473 T CA 1.059 63.185 62.100 0.044 0.000 1.118 473 T CB 0.050 68.917 68.868 -0.002 0.000 0.909 473 T HN 0.634 nan 8.240 nan 0.000 0.501 474 G N -0.077 108.721 108.800 -0.004 0.000 2.255 474 G HA2 0.065 4.024 3.960 -0.001 0.000 0.196 474 G HA3 0.065 4.024 3.960 -0.001 0.000 0.196 474 G C 1.027 175.906 174.900 -0.035 0.000 0.998 474 G CA 0.222 45.309 45.100 -0.021 0.000 0.656 474 G HN 1.128 nan 8.290 nan 0.000 0.490 475 G N -0.606 108.165 108.800 -0.047 0.000 2.299 475 G HA2 0.166 4.125 3.960 -0.001 0.000 0.237 475 G HA3 0.166 4.125 3.960 -0.001 0.000 0.237 475 G C 1.635 176.492 174.900 -0.071 0.000 1.027 475 G CA 1.108 46.172 45.100 -0.061 0.000 0.619 475 G HN 2.143 nan 8.290 nan 0.000 0.513 476 G N 0.121 108.887 108.800 -0.056 0.000 2.614 476 G HA2 0.478 4.438 3.960 -0.001 0.000 0.239 476 G HA3 0.478 4.438 3.960 -0.001 0.000 0.239 476 G C -0.019 174.836 174.900 -0.075 0.000 1.240 476 G CA 0.050 45.116 45.100 -0.057 0.000 0.842 476 G HN 0.452 nan 8.290 nan 0.000 0.584 477 R N 0.350 120.811 120.500 -0.066 0.000 2.673 477 R HA 0.435 4.775 4.340 -0.001 0.000 0.281 477 R C -0.715 175.583 176.300 -0.003 0.000 0.991 477 R CA -0.644 55.417 56.100 -0.065 0.000 0.896 477 R CB 2.349 32.596 30.300 -0.089 0.000 1.201 477 R HN 0.726 nan 8.270 nan 0.000 0.457 478 E N 0.159 120.346 120.200 -0.023 0.000 2.312 478 E HA 0.389 4.739 4.350 -0.001 0.000 0.267 478 E C -0.204 176.257 176.600 -0.232 0.000 0.894 478 E CA -0.587 55.780 56.400 -0.056 0.000 0.773 478 E CB 2.391 32.032 29.700 -0.099 0.000 1.241 478 E HN 0.642 nan 8.360 nan 0.000 0.432 479 S N 0.707 116.293 115.700 -0.189 0.000 4.158 479 S HA -0.210 4.260 4.470 -0.001 0.000 0.603 479 S C 0.894 175.457 174.600 -0.061 0.000 1.866 479 S CA 1.230 59.291 58.200 -0.232 0.000 4.250 479 S CB -1.682 61.136 63.200 -0.638 0.000 0.203 479 S HN 0.844 nan 8.310 nan 0.000 0.455 480 G N 0.571 109.266 108.800 -0.174 0.000 2.535 480 G HA2 0.525 4.484 3.960 -0.001 0.000 0.282 480 G HA3 0.525 4.484 3.960 -0.001 0.000 0.282 480 G C 0.549 175.487 174.900 0.063 0.000 1.350 480 G CA 0.983 46.024 45.100 -0.098 0.000 1.039 480 G HN 1.928 nan 8.290 nan 0.000 0.509 481 S N -0.876 114.890 115.700 0.110 0.000 3.711 481 S HA -0.319 4.150 4.470 -0.001 0.000 0.625 481 S C 0.933 175.601 174.600 0.113 0.000 2.458 481 S CA 2.092 60.346 58.200 0.089 0.000 4.059 481 S CB -1.378 61.820 63.200 -0.005 0.000 0.257 481 S HN 1.367 nan 8.310 nan 0.000 0.974 482 D N 0.726 121.096 120.400 -0.051 0.000 2.706 482 D HA 0.411 5.050 4.640 -0.001 0.000 0.236 482 D C 1.152 177.167 176.300 -0.474 0.000 1.231 482 D CA 0.632 54.437 54.000 -0.325 0.000 0.828 482 D CB -0.266 40.278 40.800 -0.427 0.000 1.015 482 D HN 0.260 nan 8.370 nan 0.000 0.484 483 S N 0.407 116.017 115.700 -0.149 0.000 2.400 483 S HA -0.142 4.327 4.470 -0.001 0.000 0.232 483 S C 1.589 176.208 174.600 0.031 0.000 1.025 483 S CA 1.151 59.321 58.200 -0.049 0.000 0.993 483 S CB -0.577 62.666 63.200 0.072 0.000 0.808 483 S HN 0.734 nan 8.310 nan 0.000 0.478 484 W N 2.280 123.630 121.300 0.082 0.000 2.331 484 W HA -0.144 4.516 4.660 -0.000 0.000 0.291 484 W C 1.124 177.707 176.519 0.107 0.000 1.214 484 W CA 0.943 58.356 57.345 0.113 0.000 1.228 484 W CB -0.855 28.569 29.460 -0.061 0.000 1.135 484 W HN 0.273 nan 8.180 nan 0.000 0.537 485 K N 0.972 120.879 120.400 -0.823 0.000 2.281 485 K HA -0.200 4.120 4.320 -0.001 0.000 0.203 485 K C 2.145 178.670 176.600 -0.124 0.000 1.046 485 K CA 1.980 57.750 56.287 -0.861 0.000 0.938 485 K CB -0.318 31.435 32.500 -1.245 0.000 0.737 485 K HN 0.336 nan 8.250 nan 0.000 0.458 486 Q N -0.752 119.000 119.800 -0.081 0.000 2.369 486 Q HA -0.102 4.238 4.340 -0.001 0.000 0.206 486 Q C 0.654 176.574 176.000 -0.133 0.000 0.963 486 Q CA 1.013 56.739 55.803 -0.130 0.000 0.894 486 Q CB 0.160 28.724 28.738 -0.290 0.000 0.965 486 Q HN 0.431 nan 8.270 nan 0.000 0.475 487 Y N -0.820 119.557 120.300 0.129 0.000 2.468 487 Y HA 0.268 4.818 4.550 -0.001 0.000 0.268 487 Y C 0.467 176.516 175.900 0.248 0.000 1.177 487 Y CA 0.028 58.235 58.100 0.178 0.000 1.265 487 Y CB 0.431 39.003 38.460 0.187 0.000 1.103 487 Y HN -0.003 nan 8.280 nan 0.000 0.522 488 M N 0.060 119.913 119.600 0.421 0.000 2.618 488 M HA 0.442 4.922 4.480 -0.001 0.000 0.281 488 M C -0.874 175.712 176.300 0.478 0.000 1.267 488 M CA -1.010 54.592 55.300 0.504 0.000 0.845 488 M CB 3.089 36.121 32.600 0.720 0.000 1.732 488 M HN -0.054 nan 8.290 nan 0.000 0.461 489 R N 0.898 121.612 120.500 0.357 0.000 2.445 489 R HA 0.638 4.977 4.340 -0.001 0.000 0.308 489 R C -0.820 175.395 176.300 -0.141 0.000 0.961 489 R CA -0.890 55.288 56.100 0.129 0.000 0.862 489 R CB 1.976 32.312 30.300 0.060 0.000 1.144 489 R HN 0.664 nan 8.270 nan 0.000 0.447 490 R N 2.096 122.258 120.500 -0.563 0.000 2.390 490 R HA 0.160 4.500 4.340 -0.001 0.000 0.291 490 R C -0.958 175.036 176.300 -0.510 0.000 1.070 490 R CA -0.106 55.332 56.100 -1.102 0.000 1.014 490 R CB 1.001 30.555 30.300 -1.243 0.000 1.007 490 R HN 0.945 nan 8.270 nan 0.000 0.466 491 S N 1.777 117.208 115.700 -0.447 0.000 2.594 491 S HA 0.277 4.746 4.470 -0.001 0.000 0.296 491 S C -0.787 173.696 174.600 -0.195 0.000 1.124 491 S CA -0.834 57.224 58.200 -0.237 0.000 1.011 491 S CB 2.010 65.127 63.200 -0.139 0.000 1.016 491 S HN 0.502 nan 8.310 nan 0.000 0.485 492 T N 3.195 117.668 114.554 -0.135 0.000 2.727 492 T HA 0.401 4.750 4.350 -0.001 0.000 0.298 492 T C -0.319 174.353 174.700 -0.046 0.000 0.942 492 T CA -0.352 61.698 62.100 -0.083 0.000 0.997 492 T CB -0.611 68.218 68.868 -0.065 0.000 0.917 492 T HN 0.802 nan 8.240 nan 0.000 0.487 493 C N 3.958 123.242 119.300 -0.027 0.000 2.298 493 C HA 0.620 5.080 4.460 -0.001 0.000 0.323 493 C C 0.811 175.813 174.990 0.020 0.000 1.284 493 C CA -0.947 58.068 59.018 -0.007 0.000 1.577 493 C CB 0.291 28.027 27.740 -0.007 0.000 2.249 493 C HN 0.782 nan 8.230 nan 0.000 0.497 494 T N 4.344 118.916 114.554 0.031 0.000 2.770 494 T HA 0.554 4.904 4.350 -0.001 0.000 0.283 494 T C -0.284 174.450 174.700 0.057 0.000 0.988 494 T CA -0.049 62.090 62.100 0.066 0.000 0.957 494 T CB 0.456 69.376 68.868 0.087 0.000 0.930 494 T HN 0.474 nan 8.240 nan 0.000 0.443 495 I N 3.775 124.384 120.570 0.066 0.000 2.354 495 I HA 0.328 4.498 4.170 -0.001 0.000 0.286 495 I C 0.070 176.153 176.117 -0.057 0.000 1.007 495 I CA -0.947 60.373 61.300 0.034 0.000 1.167 495 I CB 1.200 39.242 38.000 0.070 0.000 1.320 495 I HN 0.454 nan 8.210 nan 0.000 0.458 496 N N 6.010 124.566 118.700 -0.241 0.000 2.408 496 N HA 0.101 4.841 4.740 -0.001 0.000 0.257 496 N C -0.061 175.269 175.510 -0.300 0.000 1.064 496 N CA -0.219 52.446 53.050 -0.642 0.000 0.952 496 N CB 0.473 38.575 38.487 -0.641 0.000 1.093 496 N HN 0.530 nan 8.380 nan 0.000 0.490 497 Y N 1.235 121.378 120.300 -0.262 0.000 2.500 497 Y HA 0.422 4.972 4.550 -0.001 0.000 0.246 497 Y C 0.554 176.391 175.900 -0.104 0.000 1.146 497 Y CA -0.846 57.172 58.100 -0.138 0.000 1.230 497 Y CB -0.757 37.648 38.460 -0.091 0.000 1.214 497 Y HN 0.336 nan 8.280 nan 0.000 0.526 498 S N 0.706 116.165 115.700 -0.402 0.000 2.655 498 S HA 0.269 4.739 4.470 -0.001 0.000 0.265 498 S C 0.713 175.248 174.600 -0.108 0.000 1.240 498 S CA -0.730 57.335 58.200 -0.224 0.000 0.986 498 S CB 1.535 64.576 63.200 -0.265 0.000 0.985 498 S HN 0.404 nan 8.310 nan 0.000 0.562 499 K N -0.239 120.125 120.400 -0.059 0.000 2.404 499 K HA 0.111 4.430 4.320 -0.001 0.000 0.194 499 K C -0.670 175.904 176.600 -0.043 0.000 1.023 499 K CA -0.032 56.231 56.287 -0.041 0.000 1.094 499 K CB -0.155 32.334 32.500 -0.019 0.000 0.841 499 K HN 0.615 nan 8.250 nan 0.000 0.523 500 D N 1.429 121.800 120.400 -0.048 0.000 2.525 500 D HA -0.019 4.620 4.640 -0.001 0.000 0.235 500 D C -0.139 176.141 176.300 -0.034 0.000 1.137 500 D CA 0.724 54.705 54.000 -0.031 0.000 0.868 500 D CB 0.547 41.337 40.800 -0.017 0.000 1.180 500 D HN 0.010 nan 8.370 nan 0.000 0.465 501 L N 3.465 124.669 121.223 -0.032 0.000 2.334 501 L HA 0.494 4.834 4.340 -0.001 0.000 0.272 501 L C -1.687 175.161 176.870 -0.037 0.000 1.020 501 L CA -1.845 52.966 54.840 -0.048 0.000 0.812 501 L CB 0.856 42.880 42.059 -0.059 0.000 1.264 501 L HN 0.319 nan 8.230 nan 0.000 0.439 502 P HA 0.244 nan 4.420 nan 0.000 0.274 502 P C -0.743 176.551 177.300 -0.010 0.000 1.231 502 P CA -0.562 62.520 63.100 -0.030 0.000 0.790 502 P CB 0.688 32.363 31.700 -0.041 0.000 0.951 503 L N 1.081 122.311 121.223 0.011 0.000 2.525 503 L HA 0.019 4.359 4.340 -0.001 0.000 0.278 503 L C 1.800 178.720 176.870 0.083 0.000 1.218 503 L CA -0.138 54.723 54.840 0.036 0.000 0.878 503 L CB -0.039 42.035 42.059 0.027 0.000 1.127 503 L HN 0.508 nan 8.230 nan 0.000 0.492 504 A N 3.077 125.972 122.820 0.125 0.000 2.066 504 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 504 A C 1.153 178.831 177.584 0.157 0.000 1.157 504 A CA 0.654 52.838 52.037 0.245 0.000 0.670 504 A CB -0.526 18.627 19.000 0.255 0.000 0.804 504 A HN 0.955 nan 8.150 nan 0.000 0.453 505 Q N -2.210 117.641 119.800 0.084 0.000 2.402 505 Q HA -0.190 4.149 4.340 -0.001 0.000 0.356 505 Q C 0.763 176.776 176.000 0.022 0.000 1.344 505 Q CA 0.813 56.643 55.803 0.045 0.000 1.062 505 Q CB -2.553 26.209 28.738 0.040 0.000 1.268 505 Q HN 1.779 nan 8.270 nan 0.000 0.383 506 G N -0.352 108.453 108.800 0.008 0.000 2.258 506 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.233 506 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.233 506 G C 0.232 175.090 174.900 -0.069 0.000 1.006 506 G CA -0.023 45.063 45.100 -0.023 0.000 0.620 506 G HN 0.550 nan 8.290 nan 0.000 0.511 507 I N 1.865 122.370 120.570 -0.107 0.000 2.365 507 I HA 0.306 4.476 4.170 -0.001 0.000 0.291 507 I C 0.536 176.423 176.117 -0.383 0.000 1.004 507 I CA -0.497 60.628 61.300 -0.293 0.000 1.311 507 I CB 1.221 38.957 38.000 -0.440 0.000 1.401 507 I HN -0.084 nan 8.210 nan 0.000 0.491 508 K N 6.253 126.433 120.400 -0.366 0.000 2.234 508 K HA 0.472 4.791 4.320 -0.001 0.000 0.282 508 K C -0.967 175.382 176.600 -0.418 0.000 1.039 508 K CA -0.146 55.986 56.287 -0.259 0.000 0.928 508 K CB 1.015 33.436 32.500 -0.132 0.000 1.039 508 K HN 0.299 nan 8.250 nan 0.000 0.470 509 F N 0.000 119.948 119.950 -0.003 0.000 2.286 509 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 509 F CA 0.000 57.998 58.000 -0.002 0.000 1.383 509 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 509 F HN 0.000 nan 8.300 nan 0.000 0.574