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_H 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 58.195 58.200 -0.008 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 2 G N 2.148 110.928 108.800 -0.033 0.000 2.641 2 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 2 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 2 G C -0.633 174.212 174.900 -0.092 0.000 1.315 2 G CA -0.031 45.035 45.100 -0.056 0.000 0.907 2 G HN 0.785 nan 8.290 nan 0.000 0.572 3 L N 0.145 121.296 121.223 -0.120 0.000 2.371 3 L HA 0.281 4.621 4.340 -0.000 0.000 0.272 3 L C 1.908 178.655 176.870 -0.205 0.000 1.124 3 L CA -1.076 53.656 54.840 -0.180 0.000 0.816 3 L CB 0.776 42.725 42.059 -0.184 0.000 1.129 3 L HN 0.485 nan 8.230 nan 0.000 0.448 4 L N 2.754 123.791 121.223 -0.310 0.000 2.042 4 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 4 L C 2.065 178.709 176.870 -0.378 0.000 1.076 4 L CA 1.644 56.204 54.840 -0.466 0.000 0.749 4 L CB -0.644 40.901 42.059 -0.857 0.000 0.893 4 L HN 0.612 nan 8.230 nan 0.000 0.432 5 I N -0.439 119.927 120.570 -0.340 0.000 2.335 5 I HA -0.337 3.833 4.170 -0.000 0.000 0.251 5 I C 1.867 177.887 176.117 -0.162 0.000 1.129 5 I CA 1.120 62.260 61.300 -0.267 0.000 1.402 5 I CB -0.095 37.750 38.000 -0.259 0.000 1.069 5 I HN 0.409 nan 8.210 nan 0.000 0.424 6 N N 0.845 119.466 118.700 -0.132 0.000 2.459 6 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 6 N C 0.207 175.692 175.510 -0.042 0.000 1.046 6 N CA 0.522 53.523 53.050 -0.083 0.000 0.904 6 N CB -0.078 38.363 38.487 -0.076 0.000 0.964 6 N HN 0.557 nan 8.380 nan 0.000 0.444 7 Q N 0.475 120.265 119.800 -0.015 0.000 2.327 7 Q HA 0.131 4.471 4.340 -0.000 0.000 0.254 7 Q C -1.565 174.470 176.000 0.059 0.000 0.952 7 Q CA -1.622 54.211 55.803 0.049 0.000 0.884 7 Q CB 0.936 29.750 28.738 0.127 0.000 1.224 7 Q HN 0.041 nan 8.270 nan 0.000 0.422 8 P HA -0.178 nan 4.420 nan 0.000 0.216 8 P C 0.424 177.749 177.300 0.041 0.000 1.150 8 P CA 1.250 64.369 63.100 0.032 0.000 0.837 8 P CB 0.246 31.964 31.700 0.031 0.000 0.786 9 K N -1.846 118.579 120.400 0.041 0.000 2.519 9 K HA -0.113 4.207 4.320 -0.000 0.000 0.196 9 K C 0.413 176.883 176.600 -0.218 0.000 1.041 9 K CA 1.054 57.328 56.287 -0.021 0.000 0.954 9 K CB -0.253 32.222 32.500 -0.041 0.000 0.774 9 K HN 0.334 nan 8.250 nan 0.000 0.480 10 Y N -0.818 119.425 120.300 -0.096 0.000 2.706 10 Y HA 0.039 4.589 4.550 0.000 0.000 0.255 10 Y C 1.568 177.081 175.900 -0.645 0.000 1.163 10 Y CA -0.371 57.430 58.100 -0.499 0.000 1.174 10 Y CB 0.590 38.757 38.460 -0.489 0.000 1.200 10 Y HN 0.016 nan 8.280 nan 0.000 0.544 11 S N -0.603 114.984 115.700 -0.189 0.000 2.555 11 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 11 S C 1.634 176.183 174.600 -0.086 0.000 0.978 11 S CA 0.319 58.444 58.200 -0.126 0.000 0.934 11 S CB -0.759 62.429 63.200 -0.019 0.000 0.766 11 S HN 0.700 nan 8.310 nan 0.000 0.533 12 W N 1.406 122.733 121.300 0.045 0.000 2.421 12 W HA 0.064 4.724 4.660 0.000 0.000 0.270 12 W C 1.094 177.632 176.519 0.032 0.000 1.233 12 W CA -0.098 57.274 57.345 0.045 0.000 1.226 12 W CB -1.003 28.501 29.460 0.073 0.000 1.121 12 W HN 0.274 nan 8.180 nan 0.000 0.579 13 L N 1.615 122.568 121.223 -0.449 0.000 2.261 13 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 13 L C 2.586 179.376 176.870 -0.133 0.000 1.114 13 L CA 1.440 56.060 54.840 -0.366 0.000 0.777 13 L CB -0.534 41.156 42.059 -0.616 0.000 0.910 13 L HN -0.078 nan 8.230 nan 0.000 0.440 14 K N -0.112 120.229 120.400 -0.099 0.000 2.296 14 K HA -0.098 4.222 4.320 -0.000 0.000 0.200 14 K C 1.636 178.228 176.600 -0.014 0.000 1.048 14 K CA 0.729 56.977 56.287 -0.065 0.000 0.966 14 K CB -0.008 32.455 32.500 -0.062 0.000 0.754 14 K HN 0.424 nan 8.250 nan 0.000 0.466 15 E N 0.998 121.227 120.200 0.048 0.000 2.268 15 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 15 E C 1.499 178.133 176.600 0.056 0.000 0.995 15 E CA 0.563 57.005 56.400 0.069 0.000 0.836 15 E CB 0.006 29.784 29.700 0.131 0.000 0.763 15 E HN 0.234 nan 8.360 nan 0.000 0.491 16 L N -0.437 120.819 121.223 0.056 0.000 2.591 16 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 16 L C 1.148 177.999 176.870 -0.031 0.000 1.133 16 L CA 0.229 55.091 54.840 0.037 0.000 0.880 16 L CB 0.158 42.262 42.059 0.075 0.000 1.033 16 L HN 0.252 nan 8.230 nan 0.000 0.450 17 G N 0.638 109.401 108.800 -0.061 0.000 2.137 17 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 17 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 17 G C 0.034 174.834 174.900 -0.165 0.000 1.002 17 G CA -0.157 44.868 45.100 -0.125 0.000 0.702 17 G HN 0.226 nan 8.290 nan 0.000 0.515 18 L N 0.323 121.466 121.223 -0.133 0.000 2.343 18 L HA 0.796 5.136 4.340 -0.000 0.000 0.275 18 L C 0.722 177.501 176.870 -0.151 0.000 1.056 18 L CA -0.141 54.608 54.840 -0.151 0.000 0.804 18 L CB 1.828 43.804 42.059 -0.139 0.000 1.203 18 L HN 0.298 nan 8.230 nan 0.000 0.440 19 S N 0.168 115.776 115.700 -0.153 0.000 2.806 19 S HA 0.307 4.777 4.470 -0.000 0.000 0.306 19 S C 0.601 175.118 174.600 -0.138 0.000 1.167 19 S CA -0.564 57.553 58.200 -0.138 0.000 0.847 19 S CB 1.453 64.576 63.200 -0.129 0.000 1.216 19 S HN 0.718 nan 8.310 nan 0.000 0.532 20 E N 0.260 120.386 120.200 -0.123 0.000 2.023 20 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 20 E C -0.449 176.081 176.600 -0.117 0.000 1.003 20 E CA 1.631 57.958 56.400 -0.122 0.000 0.809 20 E CB -0.160 29.480 29.700 -0.101 0.000 0.755 20 E HN 0.612 nan 8.360 nan 0.000 0.449 21 D N 0.209 120.550 120.400 -0.098 0.000 2.185 21 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 21 D C -0.618 175.629 176.300 -0.090 0.000 1.027 21 D CA -0.358 53.590 54.000 -0.086 0.000 0.861 21 D CB 1.003 41.764 40.800 -0.064 0.000 1.202 21 D HN -0.058 nan 8.370 nan 0.000 0.453 22 N N 1.891 120.544 118.700 -0.079 0.000 2.249 22 N HA 0.345 5.085 4.740 -0.000 0.000 0.296 22 N C -2.782 172.715 175.510 -0.021 0.000 1.051 22 N CA -1.464 51.537 53.050 -0.081 0.000 0.815 22 N CB 2.111 40.538 38.487 -0.099 0.000 1.487 22 N HN 0.088 nan 8.380 nan 0.000 0.475 23 P HA 0.133 nan 4.420 nan 0.000 0.271 23 P C 0.667 178.086 177.300 0.199 0.000 1.220 23 P CA -0.035 63.147 63.100 0.136 0.000 0.768 23 P CB 0.615 32.467 31.700 0.254 0.000 0.848 24 G N 2.057 110.939 108.800 0.138 0.000 3.126 24 G HA2 0.181 4.141 3.960 -0.000 0.000 0.224 24 G HA3 0.181 4.141 3.960 -0.000 0.000 0.224 24 G C -0.136 174.823 174.900 0.099 0.000 1.142 24 G CA 0.102 45.261 45.100 0.097 0.000 0.759 24 G HN 0.400 nan 8.290 nan 0.000 0.550 25 V N 0.415 120.414 119.914 0.142 0.000 2.459 25 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 25 V C -1.214 174.908 176.094 0.047 0.000 1.029 25 V CA -1.048 61.297 62.300 0.074 0.000 0.874 25 V CB 1.420 33.269 31.823 0.043 0.000 0.985 25 V HN 0.266 nan 8.190 nan 0.000 0.438 26 Y N 5.015 125.137 120.300 -0.297 0.000 2.406 26 Y HA 0.597 5.147 4.550 0.000 0.000 0.340 26 Y C 0.070 175.743 175.900 -0.378 0.000 0.975 26 Y CA -0.658 57.062 58.100 -0.632 0.000 1.056 26 Y CB 2.003 39.684 38.460 -1.299 0.000 1.210 26 Y HN 0.744 nan 8.280 nan 0.000 0.448 27 N N 2.751 120.803 118.700 -1.081 0.000 2.453 27 N HA 0.336 5.076 4.740 -0.000 0.000 0.267 27 N C 0.382 175.406 175.510 -0.811 0.000 1.482 27 N CA 0.084 52.681 53.050 -0.755 0.000 0.841 27 N CB 1.032 39.298 38.487 -0.368 0.000 1.408 27 N HN 0.998 nan 8.380 nan 0.000 0.490 28 G N -0.286 107.652 108.800 -1.437 0.000 2.284 28 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 28 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 28 G C -0.101 174.539 174.900 -0.433 0.000 1.009 28 G CA 0.167 44.849 45.100 -0.697 0.000 0.625 28 G HN 1.168 nan 8.290 nan 0.000 0.501 29 S N -0.871 114.537 115.700 -0.487 0.000 2.569 29 S HA 0.723 5.193 4.470 -0.000 0.000 0.280 29 S C -0.926 173.611 174.600 -0.104 0.000 1.111 29 S CA -0.859 57.272 58.200 -0.116 0.000 0.887 29 S CB 1.770 64.961 63.200 -0.016 0.000 1.095 29 S HN 0.565 nan 8.310 nan 0.000 0.476 30 W N 0.600 122.002 121.300 0.171 0.000 2.381 30 W HA 0.731 5.391 4.660 0.000 0.000 0.329 30 W C 0.873 177.436 176.519 0.074 0.000 1.157 30 W CA 0.613 58.061 57.345 0.171 0.000 1.240 30 W CB 1.564 31.116 29.460 0.153 0.000 1.199 30 W HN 1.268 nan 8.180 nan 0.000 0.579 31 G N -0.307 108.677 108.800 0.308 0.000 2.393 31 G HA2 0.552 4.512 3.960 -0.000 0.000 0.264 31 G HA3 0.552 4.512 3.960 -0.000 0.000 0.264 31 G C -0.625 174.356 174.900 0.134 0.000 1.221 31 G CA 0.054 45.257 45.100 0.173 0.000 0.912 31 G HN 1.279 nan 8.290 nan 0.000 0.483 32 G N -1.953 106.896 108.800 0.081 0.000 2.801 32 G HA2 0.509 4.469 3.960 -0.000 0.000 0.648 32 G HA3 0.509 4.469 3.960 -0.000 0.000 0.648 32 G C -0.011 174.915 174.900 0.043 0.000 1.415 32 G CA 0.653 45.789 45.100 0.060 0.000 0.887 32 G HN 2.131 nan 8.290 nan 0.000 0.627 33 S N 0.455 116.175 115.700 0.033 0.000 3.082 33 S HA 0.609 5.079 4.470 -0.000 0.000 0.253 33 S C 1.141 175.753 174.600 0.019 0.000 0.961 33 S CA 0.787 59.001 58.200 0.024 0.000 1.129 33 S CB 0.494 63.707 63.200 0.022 0.000 1.083 33 S HN 1.865 nan 8.310 nan 0.000 0.605 34 G N 1.097 109.909 108.800 0.020 0.000 2.546 34 G HA2 0.438 4.398 3.960 -0.000 0.000 0.239 34 G HA3 0.438 4.398 3.960 -0.000 0.000 0.239 34 G C -0.410 174.495 174.900 0.008 0.000 1.476 34 G CA -0.740 44.368 45.100 0.015 0.000 1.064 34 G HN 0.476 nan 8.290 nan 0.000 0.561 35 E N -1.089 119.114 120.200 0.005 0.000 2.465 35 E HA 0.209 4.559 4.350 -0.000 0.000 0.260 35 E C -0.333 176.265 176.600 -0.003 0.000 0.980 35 E CA -0.216 56.185 56.400 0.001 0.000 0.927 35 E CB 0.683 30.384 29.700 0.002 0.000 0.934 35 E HN 0.052 nan 8.360 nan 0.000 0.459 36 V N 6.550 126.460 119.914 -0.007 0.000 2.408 36 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 36 V C 0.353 176.436 176.094 -0.018 0.000 1.047 36 V CA -0.115 62.175 62.300 -0.016 0.000 0.937 36 V CB 0.607 32.418 31.823 -0.021 0.000 0.999 36 V HN 0.578 nan 8.190 nan 0.000 0.472 37 I N 4.093 124.647 120.570 -0.026 0.000 2.525 37 I HA 0.463 4.633 4.170 -0.000 0.000 0.301 37 I C 0.194 176.275 176.117 -0.060 0.000 0.992 37 I CA 0.080 61.366 61.300 -0.023 0.000 1.162 37 I CB 1.978 39.970 38.000 -0.014 0.000 1.332 37 I HN 0.584 nan 8.210 nan 0.000 0.458 38 T N 5.021 119.536 114.554 -0.065 0.000 2.758 38 T HA 0.186 4.536 4.350 -0.000 0.000 0.285 38 T C -0.362 174.177 174.700 -0.268 0.000 0.981 38 T CA -0.314 61.661 62.100 -0.208 0.000 0.965 38 T CB 1.035 69.735 68.868 -0.280 0.000 0.927 38 T HN 0.532 nan 8.240 nan 0.000 0.448 39 S N 3.434 118.958 115.700 -0.293 0.000 2.465 39 S HA 0.462 4.932 4.470 -0.000 0.000 0.279 39 S C -0.923 173.477 174.600 -0.333 0.000 1.201 39 S CA -0.576 57.502 58.200 -0.204 0.000 1.053 39 S CB -0.077 63.044 63.200 -0.132 0.000 0.953 39 S HN 0.497 nan 8.310 nan 0.000 0.488 40 Y N 2.527 122.753 120.300 -0.124 0.000 2.361 40 Y HA 0.389 4.939 4.550 -0.000 0.000 0.332 40 Y C 0.765 176.580 175.900 -0.142 0.000 1.101 40 Y CA -0.795 57.223 58.100 -0.136 0.000 1.137 40 Y CB 0.981 39.359 38.460 -0.137 0.000 1.207 40 Y HN 0.677 nan 8.280 nan 0.000 0.463 41 C N 7.118 126.424 119.300 0.012 0.000 2.442 41 C HA 0.241 4.701 4.460 -0.000 0.000 0.362 41 C C -0.997 173.986 174.990 -0.012 0.000 1.242 41 C CA -1.999 57.006 59.018 -0.021 0.000 1.741 41 C CB -0.414 27.293 27.740 -0.055 0.000 2.378 41 C HN 0.679 nan 8.230 nan 0.000 0.549 42 P HA -0.029 nan 4.420 nan 0.000 0.234 42 P C 1.069 178.308 177.300 -0.102 0.000 1.167 42 P CA 1.394 64.421 63.100 -0.122 0.000 0.763 42 P CB 0.029 31.618 31.700 -0.184 0.000 0.835 43 A N 0.983 123.796 122.820 -0.011 0.000 2.072 43 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 43 A C 1.470 179.182 177.584 0.214 0.000 1.156 43 A CA 1.340 53.448 52.037 0.119 0.000 0.701 43 A CB -0.693 18.415 19.000 0.181 0.000 0.816 43 A HN 0.382 nan 8.150 nan 0.000 0.458 44 N N -3.513 115.256 118.700 0.114 0.000 1.986 44 N HA 0.027 4.767 4.740 -0.000 0.000 0.227 44 N C -0.125 175.420 175.510 0.060 0.000 1.387 44 N CA 0.353 53.464 53.050 0.103 0.000 0.810 44 N CB -1.119 37.430 38.487 0.102 0.000 1.140 44 N HN 0.277 nan 8.380 nan 0.000 0.504 45 N N 0.141 118.864 118.700 0.038 0.000 2.708 45 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 45 N C -1.284 174.302 175.510 0.128 0.000 1.123 45 N CA 0.975 54.041 53.050 0.027 0.000 0.739 45 N CB -0.558 37.901 38.487 -0.047 0.000 1.113 45 N HN 0.431 nan 8.380 nan 0.000 0.561 46 E N 0.563 120.828 120.200 0.109 0.000 2.301 46 E HA 0.237 4.587 4.350 -0.000 0.000 0.275 46 E C -2.207 174.411 176.600 0.030 0.000 1.030 46 E CA -1.765 54.682 56.400 0.079 0.000 0.852 46 E CB 0.697 30.386 29.700 -0.020 0.000 1.060 46 E HN 0.128 nan 8.360 nan 0.000 0.401 47 P HA 0.152 nan 4.420 nan 0.000 0.276 47 P C 0.434 177.504 177.300 -0.383 0.000 1.230 47 P CA 0.121 62.920 63.100 -0.501 0.000 0.776 47 P CB 0.887 32.282 31.700 -0.508 0.000 0.888 48 I N 1.635 121.960 120.570 -0.409 0.000 2.499 48 I HA 0.212 4.382 4.170 -0.000 0.000 0.243 48 I C 1.212 177.132 176.117 -0.328 0.000 1.085 48 I CA 0.908 61.986 61.300 -0.371 0.000 1.422 48 I CB -0.151 37.657 38.000 -0.321 0.000 1.165 48 I HN 0.418 nan 8.210 nan 0.000 0.440 49 A N 0.007 122.648 122.820 -0.298 0.000 2.483 49 A HA 0.684 5.004 4.320 -0.000 0.000 0.294 49 A C -1.155 176.299 177.584 -0.217 0.000 1.077 49 A CA -0.707 51.187 52.037 -0.239 0.000 0.633 49 A CB 0.984 19.858 19.000 -0.210 0.000 1.318 49 A HN 0.051 nan 8.150 nan 0.000 0.455 50 R N -0.618 119.782 120.500 -0.168 0.000 2.732 50 R HA 0.749 5.089 4.340 -0.000 0.000 0.278 50 R C -1.437 174.802 176.300 -0.102 0.000 0.976 50 R CA -0.765 55.254 56.100 -0.135 0.000 0.963 50 R CB 2.162 32.394 30.300 -0.113 0.000 1.150 50 R HN 0.443 nan 8.270 nan 0.000 0.478 51 V N 1.226 121.092 119.914 -0.080 0.000 2.638 51 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 51 V C -0.445 175.629 176.094 -0.033 0.000 1.052 51 V CA -0.829 61.439 62.300 -0.054 0.000 0.885 51 V CB 2.290 34.080 31.823 -0.056 0.000 0.999 51 V HN 0.792 nan 8.190 nan 0.000 0.424 52 T N 5.001 119.546 114.554 -0.014 0.000 2.727 52 T HA 0.351 4.701 4.350 -0.000 0.000 0.298 52 T C 0.083 174.790 174.700 0.012 0.000 0.942 52 T CA -0.238 61.862 62.100 -0.000 0.000 0.997 52 T CB 0.460 69.334 68.868 0.009 0.000 0.917 52 T HN 0.667 nan 8.240 nan 0.000 0.487 53 Q N 1.348 121.150 119.800 0.003 0.000 2.500 53 Q HA 0.576 4.916 4.340 -0.000 0.000 0.215 53 Q C 0.370 176.382 176.000 0.020 0.000 1.062 53 Q CA -0.738 55.068 55.803 0.005 0.000 0.996 53 Q CB 0.517 29.252 28.738 -0.005 0.000 1.239 53 Q HN 0.789 nan 8.270 nan 0.000 0.578 54 A N 0.644 123.479 122.820 0.026 0.000 2.316 54 A HA 0.431 4.751 4.320 -0.000 0.000 0.284 54 A C 0.033 177.642 177.584 0.042 0.000 1.115 54 A CA -0.466 51.598 52.037 0.045 0.000 0.812 54 A CB 0.400 19.443 19.000 0.071 0.000 1.064 54 A HN 0.691 nan 8.150 nan 0.000 0.489 55 T N -0.083 114.500 114.554 0.048 0.000 2.874 55 T HA 0.400 4.750 4.350 -0.000 0.000 0.281 55 T C 1.091 175.836 174.700 0.076 0.000 0.994 55 T CA -0.467 61.661 62.100 0.046 0.000 1.015 55 T CB 0.523 69.414 68.868 0.038 0.000 1.028 55 T HN 0.327 nan 8.240 nan 0.000 0.523 56 L N 1.482 122.744 121.223 0.066 0.000 2.043 56 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 56 L C 3.002 179.960 176.870 0.147 0.000 1.075 56 L CA 2.304 57.206 54.840 0.104 0.000 0.752 56 L CB -1.066 41.030 42.059 0.062 0.000 0.891 56 L HN 0.991 nan 8.230 nan 0.000 0.432 57 A N -1.085 121.787 122.820 0.087 0.000 1.933 57 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 57 A C 2.213 179.829 177.584 0.053 0.000 1.175 57 A CA 1.807 53.882 52.037 0.063 0.000 0.628 57 A CB -0.443 18.580 19.000 0.038 0.000 0.814 57 A HN 0.517 nan 8.150 nan 0.000 0.444 58 E N -1.850 118.388 120.200 0.062 0.000 2.107 58 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 58 E C 1.787 178.418 176.600 0.053 0.000 0.982 58 E CA 1.110 57.535 56.400 0.043 0.000 0.809 58 E CB -0.279 29.447 29.700 0.044 0.000 0.756 58 E HN 0.806 nan 8.360 nan 0.000 0.459 59 Y N 2.202 122.500 120.300 -0.004 0.000 2.097 59 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 59 Y C 2.299 178.198 175.900 -0.001 0.000 1.152 59 Y CA 2.112 60.212 58.100 -0.001 0.000 1.136 59 Y CB -0.186 38.278 38.460 0.008 0.000 0.975 59 Y HN -0.052 nan 8.280 nan 0.000 0.498 60 E N 0.779 120.946 120.200 -0.055 0.000 2.086 60 E HA -0.299 4.051 4.350 -0.000 0.000 0.200 60 E C 2.197 178.689 176.600 -0.180 0.000 1.012 60 E CA 2.210 58.530 56.400 -0.134 0.000 0.812 60 E CB -0.567 29.149 29.700 0.027 0.000 0.743 60 E HN 0.696 nan 8.360 nan 0.000 0.453 61 E N -1.202 118.932 120.200 -0.111 0.000 2.150 61 E HA -0.128 4.221 4.350 -0.000 0.000 0.193 61 E C 1.685 178.201 176.600 -0.139 0.000 0.985 61 E CA 1.473 57.814 56.400 -0.098 0.000 0.814 61 E CB -0.028 29.636 29.700 -0.059 0.000 0.752 61 E HN 0.339 nan 8.360 nan 0.000 0.466 62 T N 0.284 114.730 114.554 -0.180 0.000 2.821 62 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 62 T C 1.888 176.458 174.700 -0.217 0.000 1.046 62 T CA 0.979 62.965 62.100 -0.190 0.000 1.139 62 T CB -0.017 68.755 68.868 -0.161 0.000 0.871 62 T HN 0.019 nan 8.240 nan 0.000 0.454 63 V N 1.440 121.156 119.914 -0.330 0.000 2.358 63 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 63 V C 2.581 178.587 176.094 -0.148 0.000 1.047 63 V CA 1.606 63.739 62.300 -0.279 0.000 1.035 63 V CB -0.623 30.957 31.823 -0.404 0.000 0.658 63 V HN 0.492 nan 8.190 nan 0.000 0.452 64 Q N -0.284 119.437 119.800 -0.131 0.000 2.084 64 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 64 Q C 2.356 178.325 176.000 -0.051 0.000 0.978 64 Q CA 1.661 57.421 55.803 -0.072 0.000 0.844 64 Q CB -0.187 28.514 28.738 -0.061 0.000 0.898 64 Q HN 0.538 nan 8.270 nan 0.000 0.426 65 K N -0.419 119.936 120.400 -0.074 0.000 2.097 65 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 65 K C 2.160 178.732 176.600 -0.047 0.000 1.049 65 K CA 1.450 57.696 56.287 -0.068 0.000 0.933 65 K CB 0.001 32.434 32.500 -0.111 0.000 0.717 65 K HN 0.109 nan 8.250 nan 0.000 0.442 66 T N 0.474 114.997 114.554 -0.052 0.000 2.674 66 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 66 T C 1.757 176.497 174.700 0.068 0.000 1.039 66 T CA 0.980 63.075 62.100 -0.007 0.000 1.150 66 T CB -0.023 68.831 68.868 -0.023 0.000 0.864 66 T HN 0.087 nan 8.240 nan 0.000 0.427 67 R N 0.988 121.513 120.500 0.043 0.000 2.117 67 R HA -0.050 4.290 4.340 -0.000 0.000 0.243 67 R C 2.331 178.734 176.300 0.172 0.000 1.143 67 R CA 1.307 57.458 56.100 0.086 0.000 0.968 67 R CB -0.701 29.610 30.300 0.019 0.000 0.863 67 R HN 0.403 nan 8.270 nan 0.000 0.444 68 E N 0.245 120.509 120.200 0.107 0.000 2.107 68 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 68 E C 1.752 178.429 176.600 0.129 0.000 0.982 68 E CA 1.336 57.800 56.400 0.106 0.000 0.809 68 E CB -0.181 29.548 29.700 0.048 0.000 0.756 68 E HN 0.280 nan 8.360 nan 0.000 0.459 69 A N -0.227 122.662 122.820 0.115 0.000 1.933 69 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 69 A C 2.076 179.787 177.584 0.212 0.000 1.175 69 A CA 1.383 53.488 52.037 0.112 0.000 0.628 69 A CB -1.236 17.790 19.000 0.042 0.000 0.814 69 A HN 0.601 nan 8.150 nan 0.000 0.444 70 W N 1.040 122.400 121.300 0.101 0.000 2.342 70 W HA -0.211 4.449 4.660 -0.000 0.000 0.297 70 W C 2.005 178.629 176.519 0.175 0.000 1.213 70 W CA 2.202 59.655 57.345 0.180 0.000 1.251 70 W CB -0.086 29.457 29.460 0.139 0.000 1.136 70 W HN 0.277 nan 8.180 nan 0.000 0.526 71 K N -0.359 120.158 120.400 0.195 0.000 2.034 71 K HA -0.302 4.018 4.320 -0.000 0.000 0.214 71 K C 2.012 178.520 176.600 -0.153 0.000 1.051 71 K CA 2.877 59.157 56.287 -0.012 0.000 0.931 71 K CB -0.662 31.903 32.500 0.110 0.000 0.715 71 K HN 0.337 nan 8.250 nan 0.000 0.446 72 M N -0.855 118.725 119.600 -0.033 0.000 2.288 72 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 72 M C 1.863 178.148 176.300 -0.025 0.000 1.072 72 M CA 1.350 56.636 55.300 -0.023 0.000 1.132 72 M CB -0.854 31.769 32.600 0.039 0.000 1.386 72 M HN 0.299 nan 8.290 nan 0.000 0.432 73 W N 1.549 122.722 121.300 -0.211 0.000 2.381 73 W HA -0.045 4.614 4.660 -0.000 0.000 0.301 73 W C 1.977 178.309 176.519 -0.312 0.000 1.205 73 W CA 1.725 58.950 57.345 -0.200 0.000 1.285 73 W CB -0.224 29.168 29.460 -0.113 0.000 1.133 73 W HN 0.424 nan 8.180 nan 0.000 0.521 74 A N 0.489 122.932 122.820 -0.628 0.000 2.070 74 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 74 A C 1.417 178.696 177.584 -0.509 0.000 1.159 74 A CA 1.962 53.536 52.037 -0.771 0.000 0.656 74 A CB -0.820 17.325 19.000 -1.424 0.000 0.800 74 A HN 0.232 nan 8.150 nan 0.000 0.453 75 D N -0.453 119.705 120.400 -0.404 0.000 2.347 75 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 75 D C 0.337 176.486 176.300 -0.252 0.000 0.985 75 D CA 0.345 54.185 54.000 -0.267 0.000 0.879 75 D CB -0.033 40.654 40.800 -0.187 0.000 0.919 75 D HN 0.460 nan 8.370 nan 0.000 0.526 76 I N 2.310 122.673 120.570 -0.345 0.000 2.352 76 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 76 I C -2.078 173.820 176.117 -0.365 0.000 1.036 76 I CA -2.040 59.057 61.300 -0.338 0.000 1.336 76 I CB 1.021 38.770 38.000 -0.419 0.000 1.407 76 I HN -0.352 nan 8.210 nan 0.000 0.497 77 P HA -0.102 nan 4.420 nan 0.000 0.266 77 P C 0.429 177.581 177.300 -0.247 0.000 1.186 77 P CA 0.196 63.169 63.100 -0.211 0.000 0.767 77 P CB 0.723 32.332 31.700 -0.151 0.000 0.820 78 A N 5.747 128.437 122.820 -0.218 0.000 1.908 78 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 78 A C -0.461 177.015 177.584 -0.181 0.000 1.181 78 A CA 1.872 53.778 52.037 -0.218 0.000 0.627 78 A CB -2.377 16.506 19.000 -0.196 0.000 0.818 78 A HN 0.483 nan 8.150 nan 0.000 0.445 79 P HA -0.122 nan 4.420 nan 0.000 0.218 79 P C 1.223 178.462 177.300 -0.101 0.000 1.149 79 P CA 1.375 64.404 63.100 -0.118 0.000 0.817 79 P CB -0.026 31.613 31.700 -0.102 0.000 0.785 80 K N -0.549 119.780 120.400 -0.119 0.000 2.155 80 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 80 K C 2.179 178.722 176.600 -0.096 0.000 1.052 80 K CA 0.886 57.114 56.287 -0.098 0.000 0.948 80 K CB -0.110 32.324 32.500 -0.109 0.000 0.728 80 K HN 0.078 nan 8.250 nan 0.000 0.448 81 R N -0.273 120.115 120.500 -0.187 0.000 2.092 81 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 81 R C 2.397 178.720 176.300 0.039 0.000 1.119 81 R CA 1.231 57.241 56.100 -0.150 0.000 0.970 81 R CB -0.365 29.709 30.300 -0.376 0.000 0.864 81 R HN 0.248 nan 8.270 nan 0.000 0.440 82 G N 1.211 109.993 108.800 -0.030 0.000 2.432 82 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 82 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 82 G C 1.326 176.233 174.900 0.013 0.000 1.135 82 G CA 0.728 45.821 45.100 -0.013 0.000 0.767 82 G HN 0.254 nan 8.290 nan 0.000 0.550 83 E N 0.768 120.973 120.200 0.009 0.000 2.085 83 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 83 E C 2.421 179.053 176.600 0.054 0.000 0.994 83 E CA 0.718 57.131 56.400 0.021 0.000 0.801 83 E CB -0.283 29.423 29.700 0.010 0.000 0.743 83 E HN 0.321 nan 8.360 nan 0.000 0.453 84 I N 0.224 120.857 120.570 0.104 0.000 2.179 84 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 84 I C 2.410 178.588 176.117 0.102 0.000 1.088 84 I CA 0.804 62.187 61.300 0.139 0.000 1.357 84 I CB -1.374 36.792 38.000 0.276 0.000 1.051 84 I HN 0.062 nan 8.210 nan 0.000 0.409 85 V N 0.930 120.911 119.914 0.112 0.000 2.392 85 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 85 V C 2.769 178.889 176.094 0.044 0.000 1.059 85 V CA 1.668 64.017 62.300 0.082 0.000 1.051 85 V CB -0.818 31.056 31.823 0.085 0.000 0.658 85 V HN 0.387 nan 8.190 nan 0.000 0.455 86 R N -0.286 120.234 120.500 0.033 0.000 2.096 86 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 86 R C 2.430 178.733 176.300 0.005 0.000 1.139 86 R CA 2.135 58.244 56.100 0.016 0.000 0.952 86 R CB -0.206 30.100 30.300 0.011 0.000 0.854 86 R HN 0.610 nan 8.270 nan 0.000 0.436 87 Q N -0.124 119.684 119.800 0.012 0.000 2.119 87 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 87 Q C 2.214 178.204 176.000 -0.018 0.000 0.972 87 Q CA 1.322 57.127 55.803 0.003 0.000 0.847 87 Q CB -0.024 28.725 28.738 0.018 0.000 0.903 87 Q HN 0.427 nan 8.270 nan 0.000 0.433 88 I N 0.401 120.957 120.570 -0.023 0.000 2.208 88 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 88 I C 2.326 178.351 176.117 -0.153 0.000 1.097 88 I CA 1.258 62.511 61.300 -0.079 0.000 1.363 88 I CB -0.688 37.276 38.000 -0.061 0.000 1.051 88 I HN 0.300 nan 8.210 nan 0.000 0.413 89 G N 0.274 109.009 108.800 -0.109 0.000 2.440 89 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 89 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 89 G C 1.289 176.137 174.900 -0.087 0.000 1.154 89 G CA 1.080 46.114 45.100 -0.109 0.000 0.767 89 G HN 0.279 nan 8.290 nan 0.000 0.552 90 D N 0.568 120.936 120.400 -0.053 0.000 2.123 90 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 90 D C 2.838 179.113 176.300 -0.041 0.000 0.976 90 D CA 1.052 55.030 54.000 -0.036 0.000 0.831 90 D CB -0.382 40.407 40.800 -0.018 0.000 0.974 90 D HN 0.257 nan 8.370 nan 0.000 0.469 91 A N 0.370 123.160 122.820 -0.049 0.000 1.933 91 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 91 A C 2.335 179.884 177.584 -0.057 0.000 1.175 91 A CA 0.970 52.982 52.037 -0.042 0.000 0.628 91 A CB -0.750 18.228 19.000 -0.037 0.000 0.814 91 A HN 0.234 nan 8.150 nan 0.000 0.444 92 L N -1.346 119.812 121.223 -0.108 0.000 2.056 92 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 92 L C 2.772 179.601 176.870 -0.069 0.000 1.078 92 L CA 1.558 56.325 54.840 -0.123 0.000 0.749 92 L CB -0.426 41.481 42.059 -0.254 0.000 0.901 92 L HN 0.381 nan 8.230 nan 0.000 0.433 93 R N 0.323 120.787 120.500 -0.061 0.000 2.091 93 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 93 R C 2.309 178.599 176.300 -0.017 0.000 1.136 93 R CA 1.507 57.586 56.100 -0.034 0.000 0.959 93 R CB -0.032 30.251 30.300 -0.027 0.000 0.856 93 R HN 0.307 nan 8.270 nan 0.000 0.437 94 K N -0.031 120.361 120.400 -0.014 0.000 2.097 94 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 94 K C 1.264 177.869 176.600 0.009 0.000 1.049 94 K CA 0.988 57.274 56.287 -0.001 0.000 0.933 94 K CB 0.107 32.607 32.500 0.000 0.000 0.717 94 K HN 0.052 nan 8.250 nan 0.000 0.442 95 K N 0.799 121.203 120.400 0.008 0.000 2.437 95 K HA 0.127 4.447 4.320 -0.000 0.000 0.205 95 K C 1.519 178.135 176.600 0.028 0.000 1.026 95 K CA -0.027 56.276 56.287 0.027 0.000 1.153 95 K CB 0.223 32.743 32.500 0.033 0.000 0.863 95 K HN 0.169 nan 8.250 nan 0.000 0.502 96 I N 1.470 122.046 120.570 0.010 0.000 2.208 96 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 96 I C 1.845 177.966 176.117 0.006 0.000 1.097 96 I CA 1.697 62.996 61.300 -0.002 0.000 1.363 96 I CB 0.229 38.219 38.000 -0.018 0.000 1.051 96 I HN 0.125 nan 8.210 nan 0.000 0.413 97 K N 0.031 120.453 120.400 0.036 0.000 2.001 97 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 97 K C 1.966 178.620 176.600 0.089 0.000 1.048 97 K CA 2.064 58.407 56.287 0.093 0.000 0.932 97 K CB -0.404 32.157 32.500 0.103 0.000 0.715 97 K HN 0.436 nan 8.250 nan 0.000 0.437 98 V N -0.098 119.851 119.914 0.058 0.000 2.427 98 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 98 V C 2.142 178.323 176.094 0.145 0.000 1.051 98 V CA 1.206 63.550 62.300 0.073 0.000 1.048 98 V CB -0.680 31.261 31.823 0.198 0.000 0.666 98 V HN 0.121 nan 8.190 nan 0.000 0.456 99 L N 2.493 123.786 121.223 0.116 0.000 2.056 99 L HA 0.207 4.547 4.340 -0.000 0.000 0.207 99 L C 2.493 179.416 176.870 0.088 0.000 1.078 99 L CA 2.225 57.134 54.840 0.116 0.000 0.749 99 L CB -1.423 40.687 42.059 0.086 0.000 0.901 99 L HN 0.334 nan 8.230 nan 0.000 0.433 100 G N -1.642 107.175 108.800 0.029 0.000 2.440 100 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 100 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 100 G C 1.643 176.566 174.900 0.038 0.000 1.154 100 G CA 0.961 46.034 45.100 -0.045 0.000 0.767 100 G HN 0.458 nan 8.290 nan 0.000 0.552 101 S N 0.081 115.850 115.700 0.114 0.000 2.368 101 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 101 S C 2.180 176.879 174.600 0.166 0.000 1.030 101 S CA 1.166 59.422 58.200 0.093 0.000 0.999 101 S CB -0.281 62.671 63.200 -0.413 0.000 0.844 101 S HN 0.278 nan 8.310 nan 0.000 0.459 102 L N 1.988 123.379 121.223 0.279 0.000 2.046 102 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 102 L C 2.139 179.111 176.870 0.170 0.000 1.077 102 L CA 1.611 56.637 54.840 0.310 0.000 0.747 102 L CB -0.869 41.352 42.059 0.271 0.000 0.896 102 L HN 0.133 nan 8.230 nan 0.000 0.432 103 V N -0.883 119.104 119.914 0.122 0.000 2.255 103 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 103 V C 2.784 178.920 176.094 0.070 0.000 1.051 103 V CA 1.959 64.304 62.300 0.075 0.000 1.018 103 V CB -1.112 30.728 31.823 0.029 0.000 0.641 103 V HN 0.672 nan 8.190 nan 0.000 0.445 104 S N -0.268 115.484 115.700 0.087 0.000 2.370 104 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 104 S C 1.938 176.602 174.600 0.107 0.000 1.033 104 S CA 2.180 60.444 58.200 0.106 0.000 1.011 104 S CB -0.358 62.956 63.200 0.190 0.000 0.852 104 S HN 0.437 nan 8.310 nan 0.000 0.457 105 L N 1.317 122.610 121.223 0.116 0.000 2.072 105 L HA 0.158 4.498 4.340 -0.000 0.000 0.205 105 L C 2.330 179.233 176.870 0.055 0.000 1.079 105 L CA 2.294 57.185 54.840 0.086 0.000 0.752 105 L CB -0.665 41.469 42.059 0.125 0.000 0.906 105 L HN 0.428 nan 8.230 nan 0.000 0.436 106 E N -1.485 118.759 120.200 0.072 0.000 2.140 106 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 106 E C 2.067 178.763 176.600 0.160 0.000 0.973 106 E CA 0.553 56.996 56.400 0.073 0.000 0.829 106 E CB 0.028 29.766 29.700 0.064 0.000 0.781 106 E HN 0.437 nan 8.360 nan 0.000 0.466 107 M N -1.013 118.684 119.600 0.162 0.000 2.429 107 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 107 M C 1.263 177.701 176.300 0.230 0.000 1.120 107 M CA 2.038 57.477 55.300 0.232 0.000 1.173 107 M CB 0.747 33.388 32.600 0.069 0.000 1.343 107 M HN 0.265 nan 8.290 nan 0.000 0.464 108 G N 1.662 110.518 108.800 0.092 0.000 2.205 108 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.180 108 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.180 108 G C 0.136 175.025 174.900 -0.019 0.000 1.004 108 G CA 0.309 45.424 45.100 0.025 0.000 0.670 108 G HN 0.591 nan 8.290 nan 0.000 0.496 109 K N 1.603 121.987 120.400 -0.026 0.000 2.168 109 K HA 0.613 4.933 4.320 -0.000 0.000 0.258 109 K C 1.187 177.790 176.600 0.005 0.000 1.010 109 K CA -0.364 55.888 56.287 -0.059 0.000 0.929 109 K CB 1.366 33.785 32.500 -0.135 0.000 0.998 109 K HN 0.806 nan 8.250 nan 0.000 0.479 110 I N -0.321 120.259 120.570 0.017 0.000 2.892 110 I HA -0.077 4.093 4.170 -0.000 0.000 0.287 110 I C 1.313 177.491 176.117 0.103 0.000 1.205 110 I CA -0.613 60.740 61.300 0.088 0.000 1.409 110 I CB 0.273 38.324 38.000 0.086 0.000 1.367 110 I HN 0.807 nan 8.210 nan 0.000 0.597 111 Y N 4.687 125.025 120.300 0.063 0.000 2.069 111 Y HA -0.287 4.263 4.550 -0.000 0.000 0.278 111 Y C 2.246 178.157 175.900 0.018 0.000 1.175 111 Y CA 2.614 60.750 58.100 0.060 0.000 1.134 111 Y CB -0.412 38.099 38.460 0.085 0.000 0.965 111 Y HN 0.509 nan 8.280 nan 0.000 0.498 112 V N 0.623 120.491 119.914 -0.076 0.000 2.469 112 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 112 V C 2.031 178.015 176.094 -0.184 0.000 1.064 112 V CA 2.601 64.790 62.300 -0.184 0.000 1.066 112 V CB -0.447 31.362 31.823 -0.024 0.000 0.667 112 V HN 0.610 nan 8.190 nan 0.000 0.461 113 E N -0.464 119.668 120.200 -0.114 0.000 2.216 113 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 113 E C 2.136 178.663 176.600 -0.122 0.000 0.988 113 E CA 0.820 57.165 56.400 -0.092 0.000 0.834 113 E CB -0.368 29.292 29.700 -0.066 0.000 0.772 113 E HN 0.711 nan 8.360 nan 0.000 0.479 114 G N 1.024 109.731 108.800 -0.155 0.000 2.421 114 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 114 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 114 G C 1.721 176.515 174.900 -0.175 0.000 1.171 114 G CA 0.601 45.616 45.100 -0.143 0.000 0.775 114 G HN 0.108 nan 8.290 nan 0.000 0.543 115 V N 1.617 121.342 119.914 -0.317 0.000 2.295 115 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 115 V C 3.167 179.174 176.094 -0.146 0.000 1.049 115 V CA 2.044 64.178 62.300 -0.276 0.000 1.024 115 V CB -1.080 30.486 31.823 -0.429 0.000 0.648 115 V HN 0.443 nan 8.190 nan 0.000 0.447 116 G N -0.653 108.071 108.800 -0.127 0.000 2.442 116 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 116 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 116 G C 1.522 176.399 174.900 -0.038 0.000 1.141 116 G CA 1.093 46.155 45.100 -0.062 0.000 0.763 116 G HN 0.605 nan 8.290 nan 0.000 0.554 117 E N -0.116 120.064 120.200 -0.033 0.000 2.077 117 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 117 E C 2.591 179.169 176.600 -0.037 0.000 0.989 117 E CA 1.132 57.520 56.400 -0.019 0.000 0.800 117 E CB -0.103 29.602 29.700 0.009 0.000 0.746 117 E HN 0.248 nan 8.360 nan 0.000 0.452 118 V N 0.930 120.832 119.914 -0.019 0.000 2.343 118 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 118 V C 2.498 178.597 176.094 0.009 0.000 1.051 118 V CA 1.986 64.294 62.300 0.014 0.000 1.036 118 V CB -0.637 31.183 31.823 -0.006 0.000 0.654 118 V HN 0.301 nan 8.190 nan 0.000 0.451 119 Q N 0.287 120.075 119.800 -0.019 0.000 2.135 119 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 119 Q C 2.187 178.190 176.000 0.005 0.000 0.981 119 Q CA 1.774 57.571 55.803 -0.010 0.000 0.856 119 Q CB -0.294 28.432 28.738 -0.019 0.000 0.902 119 Q HN 0.635 nan 8.270 nan 0.000 0.425 120 E N -0.886 119.295 120.200 -0.031 0.000 2.097 120 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 120 E C 1.772 178.350 176.600 -0.035 0.000 1.000 120 E CA 1.253 57.609 56.400 -0.073 0.000 0.804 120 E CB -0.454 29.069 29.700 -0.295 0.000 0.740 120 E HN 0.444 nan 8.360 nan 0.000 0.454 121 Y N 1.778 121.962 120.300 -0.194 0.000 2.163 121 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 121 Y C 2.399 178.265 175.900 -0.057 0.000 1.136 121 Y CA 0.553 58.563 58.100 -0.149 0.000 1.147 121 Y CB -0.620 37.761 38.460 -0.130 0.000 0.987 121 Y HN -0.219 nan 8.280 nan 0.000 0.509 122 V N 0.604 120.586 119.914 0.113 0.000 2.255 122 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 122 V C 2.194 178.333 176.094 0.075 0.000 1.051 122 V CA 2.334 64.651 62.300 0.028 0.000 1.018 122 V CB -0.695 31.123 31.823 -0.008 0.000 0.641 122 V HN 0.309 nan 8.190 nan 0.000 0.445 123 D N -0.443 120.007 120.400 0.082 0.000 2.144 123 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 123 D C 2.104 178.490 176.300 0.143 0.000 0.978 123 D CA 1.253 55.309 54.000 0.092 0.000 0.833 123 D CB -0.343 40.499 40.800 0.070 0.000 0.961 123 D HN 0.332 nan 8.370 nan 0.000 0.470 124 V N 0.291 120.312 119.914 0.179 0.000 2.626 124 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 124 V C 2.324 178.559 176.094 0.234 0.000 1.067 124 V CA 1.142 63.584 62.300 0.235 0.000 1.081 124 V CB -0.253 31.752 31.823 0.304 0.000 0.686 124 V HN 0.263 nan 8.190 nan 0.000 0.468 125 C N 0.130 119.549 119.300 0.199 0.000 2.432 125 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 125 C C 2.398 177.452 174.990 0.107 0.000 1.249 125 C CA 1.224 60.328 59.018 0.144 0.000 1.725 125 C CB -1.043 26.754 27.740 0.096 0.000 2.028 125 C HN 0.640 nan 8.230 nan 0.000 0.477 126 D N -0.728 119.735 120.400 0.106 0.000 2.144 126 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 126 D C 1.712 178.076 176.300 0.106 0.000 0.984 126 D CA 1.253 55.303 54.000 0.083 0.000 0.834 126 D CB -0.573 40.273 40.800 0.076 0.000 0.955 126 D HN 0.629 nan 8.370 nan 0.000 0.465 127 Y N 1.727 122.040 120.300 0.021 0.000 2.165 127 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 127 Y C 2.290 178.185 175.900 -0.009 0.000 1.155 127 Y CA 1.672 59.779 58.100 0.011 0.000 1.164 127 Y CB -0.413 38.063 38.460 0.027 0.000 0.978 127 Y HN -0.046 nan 8.280 nan 0.000 0.513 128 A N -0.859 121.979 122.820 0.030 0.000 1.972 128 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 128 A C 2.323 179.833 177.584 -0.123 0.000 1.169 128 A CA 1.751 53.742 52.037 -0.078 0.000 0.635 128 A CB -1.252 17.757 19.000 0.015 0.000 0.810 128 A HN 0.341 nan 8.150 nan 0.000 0.446 129 V N -0.077 119.794 119.914 -0.071 0.000 2.343 129 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 129 V C 2.803 178.822 176.094 -0.125 0.000 1.051 129 V CA 1.952 64.208 62.300 -0.074 0.000 1.036 129 V CB -1.446 30.357 31.823 -0.034 0.000 0.654 129 V HN 0.602 nan 8.190 nan 0.000 0.451 130 G N -0.323 108.379 108.800 -0.163 0.000 2.421 130 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 130 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 130 G C 1.588 176.327 174.900 -0.269 0.000 1.171 130 G CA 0.845 45.824 45.100 -0.201 0.000 0.775 130 G HN 0.459 nan 8.290 nan 0.000 0.543 131 L N 1.640 122.641 121.223 -0.370 0.000 2.131 131 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 131 L C 3.232 179.891 176.870 -0.352 0.000 1.092 131 L CA 1.362 55.956 54.840 -0.410 0.000 0.759 131 L CB -0.382 41.397 42.059 -0.467 0.000 0.903 131 L HN 0.452 nan 8.230 nan 0.000 0.435 132 S N -0.271 115.274 115.700 -0.259 0.000 2.469 132 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 132 S C 1.773 176.251 174.600 -0.204 0.000 0.998 132 S CA 0.751 58.821 58.200 -0.218 0.000 0.957 132 S CB -0.254 62.854 63.200 -0.152 0.000 0.764 132 S HN 0.463 nan 8.310 nan 0.000 0.514 133 R N -0.579 119.804 120.500 -0.196 0.000 2.432 133 R HA 0.441 4.781 4.340 -0.000 0.000 0.260 133 R C 1.078 177.273 176.300 -0.175 0.000 0.935 133 R CA 0.131 56.134 56.100 -0.162 0.000 1.080 133 R CB 0.107 30.333 30.300 -0.123 0.000 1.155 133 R HN 0.489 nan 8.270 nan 0.000 0.531 134 M N 0.180 119.634 119.600 -0.243 0.000 2.363 134 M HA 0.215 4.695 4.480 -0.000 0.000 0.243 134 M C 0.585 176.675 176.300 -0.349 0.000 1.364 134 M CA -0.042 55.109 55.300 -0.248 0.000 1.104 134 M CB 0.485 32.941 32.600 -0.240 0.000 1.570 134 M HN -0.007 nan 8.290 nan 0.000 0.564 135 I N 1.236 121.459 120.570 -0.579 0.000 2.845 135 I HA 0.438 4.608 4.170 -0.000 0.000 0.296 135 I C 0.309 176.095 176.117 -0.552 0.000 1.216 135 I CA 0.325 61.025 61.300 -0.999 0.000 1.438 135 I CB -0.387 36.839 38.000 -1.290 0.000 1.342 135 I HN 0.290 nan 8.210 nan 0.000 0.577 136 G N 3.155 111.693 108.800 -0.436 0.000 2.356 136 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 136 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 136 G C -0.869 174.245 174.900 0.356 0.000 1.331 136 G CA -0.437 44.726 45.100 0.105 0.000 0.905 136 G HN 1.058 nan 8.290 nan 0.000 0.587 137 G N -0.561 108.567 108.800 0.546 0.000 2.667 137 G HA2 0.876 4.836 3.960 -0.000 0.000 0.310 137 G HA3 0.876 4.836 3.960 -0.000 0.000 0.310 137 G C -2.496 172.561 174.900 0.261 0.000 1.259 137 G CA -1.105 44.300 45.100 0.509 0.000 1.019 137 G HN 0.653 nan 8.290 nan 0.000 0.496 138 P HA 0.296 nan 4.420 nan 0.000 0.275 138 P C -0.348 177.012 177.300 0.100 0.000 1.228 138 P CA -0.318 62.858 63.100 0.127 0.000 0.786 138 P CB 1.470 33.235 31.700 0.109 0.000 0.927 139 V N 3.648 123.606 119.914 0.073 0.000 2.488 139 V HA 0.164 4.284 4.120 -0.000 0.000 0.277 139 V C 0.701 176.827 176.094 0.053 0.000 1.046 139 V CA -0.094 62.240 62.300 0.057 0.000 0.986 139 V CB 0.092 31.940 31.823 0.042 0.000 0.989 139 V HN 0.358 nan 8.190 nan 0.000 0.475 140 L N 7.145 128.400 121.223 0.053 0.000 2.342 140 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 140 L C -2.294 174.605 176.870 0.048 0.000 1.008 140 L CA -1.874 52.995 54.840 0.047 0.000 0.818 140 L CB 2.499 44.584 42.059 0.044 0.000 1.296 140 L HN 0.438 nan 8.230 nan 0.000 0.427 141 P HA 0.094 nan 4.420 nan 0.000 0.287 141 P C -0.512 176.810 177.300 0.038 0.000 1.307 141 P CA -0.224 62.902 63.100 0.043 0.000 0.777 141 P CB 1.481 33.201 31.700 0.033 0.000 0.883 142 S N 2.109 117.839 115.700 0.050 0.000 2.585 142 S HA 0.037 4.507 4.470 -0.000 0.000 0.273 142 S C 1.348 175.949 174.600 0.003 0.000 1.339 142 S CA -0.398 57.821 58.200 0.031 0.000 1.028 142 S CB 0.359 63.597 63.200 0.064 0.000 0.906 142 S HN 0.561 nan 8.310 nan 0.000 0.528 143 E N 2.884 123.066 120.200 -0.031 0.000 2.481 143 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 143 E C -0.050 176.499 176.600 -0.085 0.000 1.047 143 E CA 0.196 56.569 56.400 -0.046 0.000 0.867 143 E CB 0.082 29.753 29.700 -0.048 0.000 0.858 143 E HN 0.507 nan 8.360 nan 0.000 0.513 144 R N 2.045 122.460 120.500 -0.142 0.000 2.294 144 R HA 0.357 4.697 4.340 -0.000 0.000 0.319 144 R C -2.549 173.684 176.300 -0.112 0.000 0.984 144 R CA -2.376 53.565 56.100 -0.265 0.000 0.861 144 R CB 0.759 30.606 30.300 -0.756 0.000 1.104 144 R HN 0.006 nan 8.270 nan 0.000 0.451 145 P HA 0.018 nan 4.420 nan 0.000 0.268 145 P C 0.444 177.771 177.300 0.045 0.000 1.205 145 P CA 0.368 63.472 63.100 0.007 0.000 0.771 145 P CB 0.720 32.415 31.700 -0.008 0.000 0.858 146 G N 1.037 109.803 108.800 -0.057 0.000 2.273 146 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.280 146 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.280 146 G C -0.385 173.993 174.900 -0.870 0.000 1.047 146 G CA 0.060 44.848 45.100 -0.519 0.000 0.869 146 G HN 0.686 nan 8.290 nan 0.000 0.502 147 H N -0.454 118.406 119.070 -0.350 0.000 2.589 147 H HA 0.695 5.251 4.556 -0.000 0.000 0.351 147 H C 0.355 175.786 175.328 0.173 0.000 1.074 147 H CA 0.269 56.248 56.048 -0.115 0.000 1.203 147 H CB 1.797 31.513 29.762 -0.077 0.000 1.558 147 H HN 0.579 nan 8.280 nan 0.000 0.522 148 A N 2.840 125.878 122.820 0.363 0.000 2.306 148 A HA 0.580 4.900 4.320 -0.000 0.000 0.314 148 A C -1.068 176.607 177.584 0.152 0.000 1.164 148 A CA -0.495 51.687 52.037 0.242 0.000 0.822 148 A CB 0.420 19.525 19.000 0.175 0.000 1.130 148 A HN 0.510 nan 8.150 nan 0.000 0.496 149 L N 3.890 125.178 121.223 0.108 0.000 2.372 149 L HA 0.755 5.095 4.340 -0.000 0.000 0.274 149 L C -0.706 176.198 176.870 0.056 0.000 0.988 149 L CA -0.358 54.527 54.840 0.074 0.000 0.833 149 L CB 1.215 43.312 42.059 0.063 0.000 1.236 149 L HN 0.690 nan 8.230 nan 0.000 0.410 150 I N 0.558 121.155 120.570 0.043 0.000 2.730 150 I HA 0.616 4.786 4.170 -0.000 0.000 0.298 150 I C -0.963 175.169 176.117 0.025 0.000 1.089 150 I CA -0.693 60.632 61.300 0.041 0.000 1.041 150 I CB 2.217 40.241 38.000 0.040 0.000 1.235 150 I HN 0.682 nan 8.210 nan 0.000 0.423 151 E N 4.338 124.565 120.200 0.045 0.000 2.146 151 E HA 0.259 4.609 4.350 -0.000 0.000 0.282 151 E C -1.110 175.506 176.600 0.027 0.000 0.989 151 E CA -0.633 55.772 56.400 0.009 0.000 0.799 151 E CB 1.038 30.783 29.700 0.075 0.000 1.088 151 E HN 0.514 nan 8.360 nan 0.000 0.397 152 Q N 3.538 123.283 119.800 -0.092 0.000 2.282 152 Q HA 0.261 4.601 4.340 -0.000 0.000 0.260 152 Q C -1.343 174.562 176.000 -0.159 0.000 0.964 152 Q CA -0.393 55.395 55.803 -0.025 0.000 0.880 152 Q CB 1.403 30.131 28.738 -0.016 0.000 1.286 152 Q HN 0.509 nan 8.270 nan 0.000 0.445 153 W N 1.869 123.242 121.300 0.121 0.000 2.632 153 W HA 0.453 5.113 4.660 0.000 0.000 0.328 153 W C 0.199 176.800 176.519 0.137 0.000 1.044 153 W CA -0.418 57.033 57.345 0.176 0.000 1.225 153 W CB 1.315 30.972 29.460 0.330 0.000 1.396 153 W HN 0.350 nan 8.180 nan 0.000 0.499 154 N N 2.432 121.348 118.700 0.360 0.000 2.284 154 N HA 0.421 5.161 4.740 -0.000 0.000 0.289 154 N C -2.863 172.843 175.510 0.326 0.000 1.179 154 N CA -1.866 51.348 53.050 0.273 0.000 0.774 154 N CB 2.278 40.881 38.487 0.192 0.000 1.548 154 N HN -0.119 nan 8.380 nan 0.000 0.473 155 P HA -0.045 nan 4.420 nan 0.000 0.265 155 P C 1.310 178.807 177.300 0.328 0.000 1.187 155 P CA -0.160 63.184 63.100 0.407 0.000 0.766 155 P CB 0.636 32.696 31.700 0.600 0.000 0.820 156 V N 0.520 120.585 119.914 0.252 0.000 2.719 156 V HA 0.195 4.315 4.120 -0.000 0.000 0.252 156 V C 1.228 177.284 176.094 -0.063 0.000 1.065 156 V CA 1.708 64.075 62.300 0.111 0.000 1.086 156 V CB -1.450 30.440 31.823 0.111 0.000 0.700 156 V HN 0.824 nan 8.190 nan 0.000 0.467 157 G N 0.850 109.590 108.800 -0.099 0.000 2.039 157 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.207 157 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.207 157 G C -0.606 174.120 174.900 -0.290 0.000 1.133 157 G CA -0.134 44.576 45.100 -0.650 0.000 1.296 157 G HN 1.009 nan 8.290 nan 0.000 0.459 158 L N 1.761 122.868 121.223 -0.193 0.000 2.282 158 L HA 0.831 5.171 4.340 -0.000 0.000 0.288 158 L C -0.197 176.712 176.870 0.064 0.000 1.033 158 L CA -0.893 53.939 54.840 -0.013 0.000 0.807 158 L CB 1.893 43.935 42.059 -0.029 0.000 1.209 158 L HN 0.560 nan 8.230 nan 0.000 0.423 159 V N 5.476 125.472 119.914 0.136 0.000 2.333 159 V HA 0.570 4.690 4.120 -0.000 0.000 0.274 159 V C 0.930 177.130 176.094 0.176 0.000 1.028 159 V CA -0.238 62.161 62.300 0.166 0.000 0.851 159 V CB 0.793 32.761 31.823 0.242 0.000 1.000 159 V HN 0.982 nan 8.190 nan 0.000 0.456 160 G N 5.412 114.312 108.800 0.167 0.000 2.370 160 G HA2 0.608 4.568 3.960 -0.000 0.000 0.272 160 G HA3 0.608 4.568 3.960 -0.000 0.000 0.272 160 G C -0.632 174.401 174.900 0.222 0.000 1.208 160 G CA -0.281 44.942 45.100 0.205 0.000 0.856 160 G HN 0.656 nan 8.290 nan 0.000 0.500 161 I N 2.406 123.143 120.570 0.278 0.000 2.439 161 I HA 0.326 4.496 4.170 -0.000 0.000 0.285 161 I C -0.467 175.862 176.117 0.353 0.000 1.021 161 I CA -0.426 61.043 61.300 0.282 0.000 1.091 161 I CB 1.966 40.120 38.000 0.256 0.000 1.242 161 I HN 0.232 nan 8.210 nan 0.000 0.439 162 I N 5.843 126.555 120.570 0.236 0.000 2.362 162 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 162 I C 0.281 176.388 176.117 -0.016 0.000 0.994 162 I CA -0.245 61.148 61.300 0.156 0.000 1.158 162 I CB 1.916 40.017 38.000 0.168 0.000 1.315 162 I HN 0.590 nan 8.210 nan 0.000 0.451 163 T N 2.704 117.315 114.554 0.096 0.000 2.942 163 T HA 0.845 5.195 4.350 -0.000 0.000 0.289 163 T C -0.062 174.619 174.700 -0.031 0.000 1.044 163 T CA -0.823 61.314 62.100 0.061 0.000 1.023 163 T CB 1.973 71.031 68.868 0.317 0.000 1.123 163 T HN 0.548 nan 8.240 nan 0.000 0.512 164 A N 0.928 123.709 122.820 -0.066 0.000 2.246 164 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 164 A C 0.829 178.396 177.584 -0.028 0.000 1.103 164 A CA -0.754 51.225 52.037 -0.097 0.000 0.844 164 A CB -0.183 18.690 19.000 -0.211 0.000 1.136 164 A HN 1.098 nan 8.150 nan 0.000 0.500 165 F N 0.610 120.540 119.950 -0.033 0.000 2.293 165 F HA -0.049 4.478 4.527 -0.000 0.000 0.297 165 F C 1.761 177.461 175.800 -0.165 0.000 1.089 165 F CA 1.180 59.103 58.000 -0.128 0.000 1.377 165 F CB -0.642 38.190 39.000 -0.280 0.000 1.051 165 F HN 0.527 nan 8.300 nan 0.000 0.511 166 N N 0.557 118.788 118.700 -0.781 0.000 2.331 166 N HA -0.149 4.591 4.740 -0.000 0.000 0.180 166 N C -0.184 175.077 175.510 -0.415 0.000 1.019 166 N CA 0.845 53.578 53.050 -0.529 0.000 0.881 166 N CB -0.798 37.424 38.487 -0.441 0.000 0.972 166 N HN 0.413 nan 8.380 nan 0.000 0.435 167 F N 0.985 120.847 119.950 -0.146 0.000 2.550 167 F HA 0.416 4.943 4.527 -0.000 0.000 0.348 167 F C -1.681 174.086 175.800 -0.055 0.000 1.219 167 F CA -1.986 55.948 58.000 -0.110 0.000 1.203 167 F CB 1.972 40.874 39.000 -0.164 0.000 1.436 167 F HN -0.102 nan 8.300 nan 0.000 0.541 168 P HA -0.058 nan 4.420 nan 0.000 0.229 168 P C 1.190 178.655 177.300 0.274 0.000 1.160 168 P CA 0.970 64.187 63.100 0.194 0.000 0.777 168 P CB 0.775 32.562 31.700 0.146 0.000 0.814 169 V N 0.239 120.251 119.914 0.163 0.000 2.627 169 V HA 0.106 4.226 4.120 -0.000 0.000 0.239 169 V C 2.739 178.793 176.094 -0.066 0.000 1.077 169 V CA 1.473 63.861 62.300 0.146 0.000 1.103 169 V CB -1.377 30.537 31.823 0.152 0.000 0.802 169 V HN 0.008 nan 8.190 nan 0.000 0.482 170 A N 0.239 122.949 122.820 -0.184 0.000 1.902 170 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 170 A C 2.342 179.460 177.584 -0.778 0.000 1.181 170 A CA 2.127 53.803 52.037 -0.603 0.000 0.623 170 A CB -0.704 17.822 19.000 -0.790 0.000 0.818 170 A HN 0.292 nan 8.150 nan 0.000 0.443 171 V N -1.249 118.409 119.914 -0.426 0.000 2.287 171 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 171 V C 2.370 178.358 176.094 -0.178 0.000 1.053 171 V CA 2.220 64.420 62.300 -0.167 0.000 1.027 171 V CB -1.109 30.718 31.823 0.007 0.000 0.646 171 V HN 0.710 nan 8.190 nan 0.000 0.447 172 Y N 1.984 122.030 120.300 -0.423 0.000 2.114 172 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 172 Y C 2.327 177.783 175.900 -0.740 0.000 1.165 172 Y CA 1.753 59.413 58.100 -0.733 0.000 1.148 172 Y CB -1.031 36.577 38.460 -1.419 0.000 0.972 172 Y HN 0.182 nan 8.280 nan 0.000 0.504 173 G N -0.285 107.862 108.800 -1.088 0.000 2.459 173 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 173 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 173 G C 1.435 175.833 174.900 -0.837 0.000 1.183 173 G CA 0.966 44.984 45.100 -1.804 0.000 0.776 173 G HN 0.530 nan 8.290 nan 0.000 0.552 174 W N 1.483 122.455 121.300 -0.547 0.000 2.325 174 W HA -0.050 4.610 4.660 -0.000 0.000 0.299 174 W C 2.473 178.819 176.519 -0.288 0.000 1.215 174 W CA 1.058 58.212 57.345 -0.319 0.000 1.244 174 W CB -0.738 28.580 29.460 -0.237 0.000 1.140 174 W HN 0.261 nan 8.180 nan 0.000 0.523 175 N N -0.184 118.457 118.700 -0.097 0.000 2.173 175 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 175 N C 1.470 176.801 175.510 -0.299 0.000 1.025 175 N CA 1.280 54.269 53.050 -0.101 0.000 0.852 175 N CB -0.806 37.673 38.487 -0.013 0.000 0.998 175 N HN 0.167 nan 8.380 nan 0.000 0.427 176 N N 1.409 119.768 118.700 -0.569 0.000 2.043 176 N HA -0.124 4.616 4.740 -0.000 0.000 0.193 176 N C 1.690 177.055 175.510 -0.241 0.000 1.037 176 N CA 1.880 54.603 53.050 -0.544 0.000 0.851 176 N CB -0.246 37.674 38.487 -0.945 0.000 1.027 176 N HN 0.188 nan 8.380 nan 0.000 0.422 177 A N 0.569 123.281 122.820 -0.179 0.000 1.883 177 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 177 A C 2.134 179.676 177.584 -0.069 0.000 1.186 177 A CA 1.384 53.407 52.037 -0.023 0.000 0.624 177 A CB -0.719 18.322 19.000 0.069 0.000 0.822 177 A HN 0.365 nan 8.150 nan 0.000 0.444 178 I N -0.197 120.263 120.570 -0.182 0.000 2.163 178 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 178 I C 2.989 178.898 176.117 -0.346 0.000 1.081 178 I CA 1.383 62.505 61.300 -0.298 0.000 1.353 178 I CB -1.763 35.937 38.000 -0.501 0.000 1.054 178 I HN 0.355 nan 8.210 nan 0.000 0.407 179 A N 0.896 123.461 122.820 -0.424 0.000 1.883 179 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 179 A C 2.281 179.939 177.584 0.124 0.000 1.186 179 A CA 1.489 53.466 52.037 -0.101 0.000 0.624 179 A CB -0.886 18.154 19.000 0.067 0.000 0.822 179 A HN 0.302 nan 8.150 nan 0.000 0.444 180 L N -0.220 121.079 121.223 0.126 0.000 2.012 180 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 180 L C 2.733 179.804 176.870 0.335 0.000 1.073 180 L CA 2.510 57.553 54.840 0.338 0.000 0.748 180 L CB -1.335 40.868 42.059 0.239 0.000 0.891 180 L HN 0.395 nan 8.230 nan 0.000 0.431 181 T N -1.971 112.658 114.554 0.125 0.000 2.803 181 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 181 T C 1.674 176.358 174.700 -0.027 0.000 1.052 181 T CA 1.529 63.637 62.100 0.013 0.000 1.136 181 T CB -0.478 68.351 68.868 -0.065 0.000 0.864 181 T HN 0.375 nan 8.240 nan 0.000 0.467 182 C N 1.156 120.481 119.300 0.042 0.000 2.625 182 C HA 0.515 4.975 4.460 -0.000 0.000 0.285 182 C C 2.012 177.093 174.990 0.151 0.000 1.279 182 C CA -0.478 58.591 59.018 0.085 0.000 1.698 182 C CB -1.439 26.412 27.740 0.185 0.000 1.821 182 C HN 0.807 nan 8.230 nan 0.000 0.600 183 G N 2.085 110.965 108.800 0.133 0.000 2.147 183 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 183 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 183 G C -0.263 174.933 174.900 0.494 0.000 1.005 183 G CA -0.095 45.048 45.100 0.073 0.000 0.713 183 G HN 0.551 nan 8.290 nan 0.000 0.515 184 N N -0.554 118.509 118.700 0.606 0.000 2.482 184 N HA 0.648 5.388 4.740 -0.000 0.000 0.279 184 N C 0.396 176.262 175.510 0.593 0.000 1.182 184 N CA 0.219 53.651 53.050 0.638 0.000 0.969 184 N CB 2.144 40.882 38.487 0.419 0.000 1.201 184 N HN 0.653 nan 8.380 nan 0.000 0.523 185 V N -2.012 118.182 119.914 0.466 0.000 2.630 185 V HA 0.625 4.745 4.120 -0.000 0.000 0.305 185 V C -0.011 176.179 176.094 0.161 0.000 1.046 185 V CA -0.828 61.598 62.300 0.211 0.000 0.934 185 V CB 0.998 32.948 31.823 0.211 0.000 1.003 185 V HN 0.601 nan 8.190 nan 0.000 0.451 186 C N 4.255 123.624 119.300 0.114 0.000 2.391 186 C HA 0.792 5.252 4.460 -0.000 0.000 0.339 186 C C -0.087 175.015 174.990 0.188 0.000 1.205 186 C CA -0.591 58.527 59.018 0.167 0.000 1.937 186 C CB 0.803 28.651 27.740 0.181 0.000 2.341 186 C HN 1.012 nan 8.230 nan 0.000 0.516 187 L N 2.558 123.918 121.223 0.229 0.000 2.376 187 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 187 L C -1.589 175.504 176.870 0.372 0.000 0.987 187 L CA -0.074 54.916 54.840 0.249 0.000 0.828 187 L CB 0.963 43.135 42.059 0.187 0.000 1.249 187 L HN 0.811 nan 8.230 nan 0.000 0.409 188 W N 6.738 128.113 121.300 0.124 0.000 2.417 188 W HA 0.427 5.087 4.660 -0.000 0.000 0.315 188 W C -1.025 175.517 176.519 0.038 0.000 1.045 188 W CA -1.268 56.123 57.345 0.076 0.000 1.221 188 W CB 1.242 30.631 29.460 -0.119 0.000 1.309 188 W HN 0.374 nan 8.180 nan 0.000 0.453 189 K N 5.282 125.809 120.400 0.210 0.000 2.473 189 K HA 0.477 4.797 4.320 -0.000 0.000 0.246 189 K C 0.367 176.887 176.600 -0.133 0.000 1.011 189 K CA -0.376 55.875 56.287 -0.060 0.000 0.984 189 K CB 0.391 32.922 32.500 0.052 0.000 1.250 189 K HN 0.710 nan 8.250 nan 0.000 0.454 190 G N 1.838 110.302 108.800 -0.561 0.000 2.651 190 G HA2 0.381 4.341 3.960 -0.000 0.000 0.260 190 G HA3 0.381 4.341 3.960 -0.000 0.000 0.260 190 G C -0.399 174.442 174.900 -0.100 0.000 1.216 190 G CA -0.568 44.347 45.100 -0.308 0.000 0.913 190 G HN 0.722 nan 8.290 nan 0.000 0.535 191 A N 0.821 123.648 122.820 0.012 0.000 2.511 191 A HA 0.418 4.738 4.320 -0.000 0.000 0.242 191 A C -0.833 176.775 177.584 0.040 0.000 1.069 191 A CA -0.587 51.490 52.037 0.067 0.000 0.763 191 A CB 0.314 19.409 19.000 0.158 0.000 1.001 191 A HN 0.415 nan 8.150 nan 0.000 0.498 192 P HA -0.142 nan 4.420 nan 0.000 0.219 192 P C 1.402 178.728 177.300 0.043 0.000 1.146 192 P CA 2.065 65.182 63.100 0.028 0.000 0.808 192 P CB -0.038 31.686 31.700 0.039 0.000 0.779 193 T N -5.453 109.161 114.554 0.101 0.000 3.100 193 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 193 T C 0.994 175.787 174.700 0.155 0.000 1.118 193 T CA 0.991 63.170 62.100 0.132 0.000 1.058 193 T CB -1.052 67.948 68.868 0.220 0.000 0.953 193 T HN 0.179 nan 8.240 nan 0.000 0.515 194 T N -0.906 113.717 114.554 0.114 0.000 3.448 194 T HA 0.396 4.746 4.350 -0.000 0.000 0.271 194 T C -1.637 173.054 174.700 -0.015 0.000 1.002 194 T CA -1.107 61.041 62.100 0.079 0.000 0.995 194 T CB 0.911 69.847 68.868 0.113 0.000 1.153 194 T HN 0.070 nan 8.240 nan 0.000 0.510 195 P HA 0.036 nan 4.420 nan 0.000 0.221 195 P C 1.630 178.872 177.300 -0.096 0.000 1.150 195 P CA 0.402 63.438 63.100 -0.107 0.000 0.800 195 P CB 0.152 31.801 31.700 -0.085 0.000 0.787 196 L N -0.522 120.664 121.223 -0.062 0.000 2.046 196 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 196 L C 2.585 179.444 176.870 -0.018 0.000 1.077 196 L CA 1.981 56.789 54.840 -0.053 0.000 0.747 196 L CB -1.772 40.248 42.059 -0.063 0.000 0.896 196 L HN 0.004 nan 8.230 nan 0.000 0.432 197 T N -1.057 113.503 114.554 0.010 0.000 2.746 197 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 197 T C 2.163 176.902 174.700 0.065 0.000 1.039 197 T CA 1.558 63.699 62.100 0.069 0.000 1.142 197 T CB -0.113 68.818 68.868 0.104 0.000 0.866 197 T HN 0.267 nan 8.240 nan 0.000 0.444 198 S N 0.938 116.574 115.700 -0.106 0.000 2.353 198 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 198 S C 2.347 176.842 174.600 -0.174 0.000 1.035 198 S CA 1.044 58.976 58.200 -0.447 0.000 1.025 198 S CB -0.606 62.102 63.200 -0.821 0.000 0.902 198 S HN 0.280 nan 8.310 nan 0.000 0.440 199 V N 2.156 122.024 119.914 -0.076 0.000 2.287 199 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 199 V C 2.668 178.823 176.094 0.102 0.000 1.053 199 V CA 1.764 64.104 62.300 0.065 0.000 1.027 199 V CB -1.313 30.522 31.823 0.021 0.000 0.646 199 V HN 0.548 nan 8.190 nan 0.000 0.447 200 A N -0.270 122.588 122.820 0.062 0.000 1.883 200 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 200 A C 2.411 180.077 177.584 0.137 0.000 1.186 200 A CA 2.342 54.425 52.037 0.076 0.000 0.624 200 A CB -0.783 18.265 19.000 0.080 0.000 0.822 200 A HN 0.335 nan 8.150 nan 0.000 0.444 201 V N -0.331 119.711 119.914 0.213 0.000 2.261 201 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 201 V C 2.764 179.032 176.094 0.290 0.000 1.047 201 V CA 2.523 65.000 62.300 0.295 0.000 1.015 201 V CB -1.355 30.756 31.823 0.479 0.000 0.642 201 V HN 0.624 nan 8.190 nan 0.000 0.446 202 T N -0.607 114.137 114.554 0.316 0.000 2.699 202 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 202 T C 1.953 176.773 174.700 0.200 0.000 1.036 202 T CA 1.828 64.080 62.100 0.254 0.000 1.147 202 T CB -0.251 68.745 68.868 0.213 0.000 0.862 202 T HN 0.403 nan 8.240 nan 0.000 0.446 203 K N 0.381 120.946 120.400 0.275 0.000 2.032 203 K HA -0.027 4.293 4.320 -0.000 0.000 0.209 203 K C 2.198 178.857 176.600 0.097 0.000 1.048 203 K CA 1.298 57.700 56.287 0.192 0.000 0.927 203 K CB -0.334 32.173 32.500 0.013 0.000 0.712 203 K HN 0.317 nan 8.250 nan 0.000 0.441 204 I N 0.241 120.863 120.570 0.087 0.000 2.163 204 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 204 I C 2.112 178.257 176.117 0.047 0.000 1.085 204 I CA 1.100 62.431 61.300 0.052 0.000 1.347 204 I CB -0.239 37.783 38.000 0.037 0.000 1.044 204 I HN -0.025 nan 8.210 nan 0.000 0.408 205 V N 0.903 120.866 119.914 0.081 0.000 2.307 205 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 205 V C 2.728 178.854 176.094 0.053 0.000 1.045 205 V CA 1.899 64.249 62.300 0.082 0.000 1.024 205 V CB -1.096 30.831 31.823 0.175 0.000 0.651 205 V HN 0.495 nan 8.190 nan 0.000 0.449 206 A N -0.401 122.424 122.820 0.007 0.000 1.917 206 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 206 A C 2.287 179.894 177.584 0.039 0.000 1.182 206 A CA 2.259 54.262 52.037 -0.057 0.000 0.633 206 A CB -0.591 18.125 19.000 -0.472 0.000 0.819 206 A HN 0.630 nan 8.150 nan 0.000 0.448 207 E N -0.342 119.885 120.200 0.045 0.000 2.058 207 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 207 E C 1.949 178.578 176.600 0.049 0.000 0.997 207 E CA 1.589 58.022 56.400 0.055 0.000 0.801 207 E CB -0.159 29.566 29.700 0.041 0.000 0.746 207 E HN 0.351 nan 8.360 nan 0.000 0.450 208 V N 1.358 121.295 119.914 0.038 0.000 2.287 208 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 208 V C 2.483 178.603 176.094 0.043 0.000 1.053 208 V CA 1.596 63.917 62.300 0.035 0.000 1.027 208 V CB -0.478 31.359 31.823 0.024 0.000 0.646 208 V HN 0.337 nan 8.190 nan 0.000 0.447 209 L N -0.387 120.862 121.223 0.043 0.000 2.012 209 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 209 L C 2.601 179.507 176.870 0.059 0.000 1.073 209 L CA 1.873 56.736 54.840 0.039 0.000 0.748 209 L CB -0.629 41.447 42.059 0.029 0.000 0.891 209 L HN 0.396 nan 8.230 nan 0.000 0.431 210 E N -0.683 119.563 120.200 0.077 0.000 2.072 210 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 210 E C 2.275 178.913 176.600 0.063 0.000 0.985 210 E CA 0.723 57.172 56.400 0.082 0.000 0.801 210 E CB -0.028 29.736 29.700 0.107 0.000 0.750 210 E HN 0.426 nan 8.360 nan 0.000 0.452 211 Q N 0.605 120.438 119.800 0.055 0.000 2.152 211 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 211 Q C 1.256 177.283 176.000 0.045 0.000 0.985 211 Q CA 1.055 56.885 55.803 0.045 0.000 0.863 211 Q CB -0.333 28.428 28.738 0.038 0.000 0.904 211 Q HN 0.351 nan 8.270 nan 0.000 0.422 212 N N 1.007 119.739 118.700 0.052 0.000 2.313 212 N HA -0.034 4.706 4.740 -0.000 0.000 0.207 212 N C -0.195 175.352 175.510 0.061 0.000 1.141 212 N CA -0.106 52.979 53.050 0.058 0.000 0.830 212 N CB 0.110 38.640 38.487 0.073 0.000 1.008 212 N HN 0.189 nan 8.380 nan 0.000 0.481 213 N N 1.122 119.855 118.700 0.055 0.000 2.714 213 N HA -0.183 4.557 4.740 -0.000 0.000 0.252 213 N C -1.065 174.481 175.510 0.060 0.000 1.014 213 N CA 0.639 53.721 53.050 0.053 0.000 0.735 213 N CB -1.153 37.360 38.487 0.044 0.000 0.924 213 N HN 0.376 nan 8.380 nan 0.000 0.540 214 L N 0.844 122.105 121.223 0.062 0.000 2.334 214 L HA 0.558 4.898 4.340 -0.000 0.000 0.273 214 L C -1.693 175.196 176.870 0.031 0.000 1.013 214 L CA -1.792 53.085 54.840 0.062 0.000 0.816 214 L CB 1.538 43.638 42.059 0.068 0.000 1.278 214 L HN -0.016 nan 8.230 nan 0.000 0.431 215 P HA -0.000 nan 4.420 nan 0.000 0.267 215 P C 0.646 177.918 177.300 -0.046 0.000 1.209 215 P CA 0.000 63.091 63.100 -0.015 0.000 0.763 215 P CB 0.936 32.628 31.700 -0.013 0.000 0.816 216 G N 3.260 112.034 108.800 -0.044 0.000 2.470 216 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 216 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 216 G C 1.453 176.279 174.900 -0.123 0.000 1.121 216 G CA 0.644 45.743 45.100 -0.001 0.000 0.766 216 G HN 0.596 nan 8.290 nan 0.000 0.553 217 A N 0.435 123.133 122.820 -0.205 0.000 2.216 217 A HA 0.153 4.473 4.320 -0.000 0.000 0.214 217 A C 2.194 179.716 177.584 -0.103 0.000 1.160 217 A CA 0.585 52.510 52.037 -0.186 0.000 0.725 217 A CB -0.302 18.604 19.000 -0.157 0.000 0.784 217 A HN 0.409 nan 8.150 nan 0.000 0.472 218 I N -1.120 119.367 120.570 -0.139 0.000 2.335 218 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 218 I C 0.345 176.377 176.117 -0.142 0.000 1.129 218 I CA 0.688 61.840 61.300 -0.247 0.000 1.402 218 I CB -0.089 37.564 38.000 -0.579 0.000 1.069 218 I HN 0.302 nan 8.210 nan 0.000 0.424 219 C N 0.882 120.164 119.300 -0.029 0.000 3.169 219 C HA 0.374 4.834 4.460 -0.000 0.000 0.232 219 C C 0.663 175.766 174.990 0.189 0.000 1.316 219 C CA -0.894 58.195 59.018 0.118 0.000 1.545 219 C CB -0.817 27.020 27.740 0.162 0.000 1.785 219 C HN 0.173 nan 8.230 nan 0.000 0.454 220 S N 2.259 118.033 115.700 0.122 0.000 2.592 220 S HA 0.585 5.055 4.470 -0.000 0.000 0.271 220 S C -0.231 174.470 174.600 0.168 0.000 1.326 220 S CA -0.091 58.155 58.200 0.077 0.000 1.024 220 S CB 0.899 64.091 63.200 -0.013 0.000 0.921 220 S HN 0.797 nan 8.310 nan 0.000 0.527 221 M N 2.808 122.468 119.600 0.101 0.000 2.326 221 M HA 0.414 4.894 4.480 -0.000 0.000 0.292 221 M C -1.543 174.768 176.300 0.019 0.000 1.081 221 M CA -0.425 54.919 55.300 0.073 0.000 0.919 221 M CB 1.932 34.543 32.600 0.020 0.000 1.634 221 M HN 0.719 nan 8.290 nan 0.000 0.451 222 T N 1.512 116.079 114.554 0.021 0.000 2.930 222 T HA 0.516 4.866 4.350 -0.000 0.000 0.313 222 T C -0.449 174.234 174.700 -0.027 0.000 1.019 222 T CA -0.618 61.502 62.100 0.033 0.000 1.004 222 T CB -0.016 68.936 68.868 0.140 0.000 0.987 222 T HN 0.747 nan 8.240 nan 0.000 0.456 223 C N 2.881 122.142 119.300 -0.065 0.000 2.652 223 C HA 0.939 5.399 4.460 -0.000 0.000 0.412 223 C C 1.439 176.401 174.990 -0.046 0.000 1.294 223 C CA 0.489 59.447 59.018 -0.100 0.000 2.127 223 C CB -0.250 27.427 27.740 -0.105 0.000 2.691 223 C HN 1.385 nan 8.230 nan 0.000 0.615 224 G N 0.992 109.763 108.800 -0.048 0.000 2.313 224 G HA2 0.540 4.500 3.960 -0.000 0.000 0.296 224 G HA3 0.540 4.500 3.960 -0.000 0.000 0.296 224 G C -0.531 174.362 174.900 -0.012 0.000 1.356 224 G CA -0.023 45.063 45.100 -0.023 0.000 0.833 224 G HN 1.030 nan 8.290 nan 0.000 0.552 225 G N -1.145 107.654 108.800 -0.002 0.000 2.695 225 G HA2 0.654 4.614 3.960 -0.000 0.000 0.213 225 G HA3 0.654 4.614 3.960 -0.000 0.000 0.213 225 G C 1.613 176.525 174.900 0.019 0.000 1.406 225 G CA 0.883 45.993 45.100 0.016 0.000 1.049 225 G HN 1.717 nan 8.290 nan 0.000 0.573 226 A N -0.570 122.269 122.820 0.032 0.000 1.917 226 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 226 A C 1.961 179.540 177.584 -0.007 0.000 1.182 226 A CA 2.609 54.664 52.037 0.031 0.000 0.633 226 A CB -0.953 18.068 19.000 0.035 0.000 0.819 226 A HN 0.705 nan 8.150 nan 0.000 0.448 227 D N 0.101 120.491 120.400 -0.016 0.000 2.797 227 D HA -0.248 4.392 4.640 -0.000 0.000 0.222 227 D C 1.609 177.855 176.300 -0.090 0.000 1.070 227 D CA 2.536 56.512 54.000 -0.041 0.000 0.926 227 D CB -0.275 40.508 40.800 -0.029 0.000 1.136 227 D HN 0.281 nan 8.370 nan 0.000 0.487 228 I N 0.481 120.986 120.570 -0.107 0.000 2.252 228 I HA -0.043 4.127 4.170 -0.000 0.000 0.245 228 I C 2.677 178.661 176.117 -0.221 0.000 1.102 228 I CA 1.450 62.618 61.300 -0.220 0.000 1.385 228 I CB -1.997 35.915 38.000 -0.147 0.000 1.064 228 I HN 0.267 nan 8.210 nan 0.000 0.414 229 G N 0.686 109.439 108.800 -0.078 0.000 2.469 229 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 229 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 229 G C 1.683 176.566 174.900 -0.028 0.000 1.150 229 G CA 1.672 46.771 45.100 -0.001 0.000 0.763 229 G HN 0.346 nan 8.290 nan 0.000 0.561 230 T N 1.497 116.016 114.554 -0.057 0.000 2.777 230 T HA 0.060 4.410 4.350 -0.000 0.000 0.266 230 T C 2.831 177.474 174.700 -0.094 0.000 1.040 230 T CA 1.483 63.544 62.100 -0.065 0.000 1.141 230 T CB -0.389 68.445 68.868 -0.057 0.000 0.868 230 T HN 0.402 nan 8.240 nan 0.000 0.444 231 A N 1.428 124.143 122.820 -0.174 0.000 1.908 231 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 231 A C 2.331 179.818 177.584 -0.162 0.000 1.181 231 A CA 1.725 53.627 52.037 -0.226 0.000 0.627 231 A CB -0.736 17.977 19.000 -0.478 0.000 0.818 231 A HN 0.461 nan 8.150 nan 0.000 0.445 232 M N -0.550 118.931 119.600 -0.197 0.000 2.080 232 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 232 M C 2.530 178.862 176.300 0.053 0.000 1.068 232 M CA 1.609 56.927 55.300 0.030 0.000 1.109 232 M CB -0.439 32.205 32.600 0.074 0.000 1.342 232 M HN 0.468 nan 8.290 nan 0.000 0.405 233 A N 0.246 123.073 122.820 0.011 0.000 1.978 233 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 233 A C 2.075 179.653 177.584 -0.010 0.000 1.170 233 A CA 1.745 53.780 52.037 -0.003 0.000 0.636 233 A CB -0.503 18.472 19.000 -0.042 0.000 0.810 233 A HN 0.477 nan 8.150 nan 0.000 0.448 234 K N -0.616 119.779 120.400 -0.009 0.000 2.356 234 K HA 0.014 4.334 4.320 -0.000 0.000 0.195 234 K C -0.204 176.412 176.600 0.027 0.000 1.037 234 K CA 0.059 56.343 56.287 -0.004 0.000 1.014 234 K CB 0.145 32.638 32.500 -0.013 0.000 0.815 234 K HN 0.305 nan 8.250 nan 0.000 0.507 235 D N 2.246 122.683 120.400 0.061 0.000 2.358 235 D HA -0.017 4.623 4.640 -0.000 0.000 0.258 235 D C 0.515 176.854 176.300 0.066 0.000 1.223 235 D CA 0.359 54.417 54.000 0.096 0.000 0.886 235 D CB 0.905 41.822 40.800 0.195 0.000 1.120 235 D HN 0.087 nan 8.370 nan 0.000 0.482 236 E N 2.597 122.826 120.200 0.048 0.000 2.333 236 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 236 E C 1.386 177.997 176.600 0.019 0.000 1.007 236 E CA 0.575 56.995 56.400 0.033 0.000 0.845 236 E CB 0.339 30.056 29.700 0.029 0.000 0.766 236 E HN 0.419 nan 8.360 nan 0.000 0.507 237 R N 0.344 120.856 120.500 0.020 0.000 2.240 237 R HA 0.037 4.377 4.340 -0.000 0.000 0.203 237 R C 0.428 176.724 176.300 -0.007 0.000 1.011 237 R CA 0.098 56.193 56.100 -0.008 0.000 1.007 237 R CB 0.358 30.648 30.300 -0.016 0.000 0.911 237 R HN -0.087 nan 8.270 nan 0.000 0.468 238 V N 2.724 122.660 119.914 0.036 0.000 2.387 238 V HA -0.029 4.091 4.120 -0.000 0.000 0.260 238 V C 0.583 176.693 176.094 0.026 0.000 1.054 238 V CA 0.292 62.622 62.300 0.050 0.000 0.967 238 V CB 1.038 32.922 31.823 0.102 0.000 1.036 238 V HN 0.191 nan 8.190 nan 0.000 0.481 239 D N 3.335 123.735 120.400 0.000 0.000 2.194 239 D HA 0.026 4.666 4.640 -0.000 0.000 0.204 239 D C 0.379 176.690 176.300 0.019 0.000 0.964 239 D CA 1.029 55.024 54.000 -0.010 0.000 0.846 239 D CB 0.638 41.404 40.800 -0.056 0.000 0.962 239 D HN 0.391 nan 8.370 nan 0.000 0.490 240 L N 0.725 121.970 121.223 0.037 0.000 2.438 240 L HA 0.379 4.719 4.340 -0.000 0.000 0.270 240 L C -1.806 175.099 176.870 0.057 0.000 0.972 240 L CA -0.891 53.968 54.840 0.031 0.000 0.831 240 L CB 2.178 44.244 42.059 0.011 0.000 1.273 240 L HN -0.266 nan 8.230 nan 0.000 0.405 241 L N 4.064 125.319 121.223 0.054 0.000 2.280 241 L HA 0.612 4.952 4.340 -0.000 0.000 0.287 241 L C -0.272 176.657 176.870 0.099 0.000 1.023 241 L CA 0.321 55.219 54.840 0.095 0.000 0.819 241 L CB 1.374 43.492 42.059 0.099 0.000 1.212 241 L HN 0.733 nan 8.230 nan 0.000 0.420 242 S N 5.525 121.300 115.700 0.125 0.000 2.430 242 S HA 0.491 4.961 4.470 -0.000 0.000 0.289 242 S C -0.841 173.883 174.600 0.206 0.000 1.143 242 S CA -0.400 57.876 58.200 0.127 0.000 1.067 242 S CB -0.060 63.210 63.200 0.117 0.000 0.964 242 S HN 0.458 nan 8.310 nan 0.000 0.485 243 F N 4.391 124.374 119.950 0.056 0.000 2.449 243 F HA 0.511 5.038 4.527 0.000 0.000 0.342 243 F C -0.231 175.611 175.800 0.071 0.000 1.127 243 F CA -0.274 57.765 58.000 0.066 0.000 0.975 243 F CB 1.775 40.797 39.000 0.037 0.000 1.146 243 F HN 0.428 nan 8.300 nan 0.000 0.444 244 T N 4.890 119.169 114.554 -0.459 0.000 2.786 244 T HA 0.778 5.128 4.350 -0.000 0.000 0.283 244 T C -0.060 174.252 174.700 -0.646 0.000 0.992 244 T CA -0.341 61.577 62.100 -0.304 0.000 0.954 244 T CB 1.077 69.889 68.868 -0.093 0.000 0.934 244 T HN 1.041 nan 8.240 nan 0.000 0.440 245 G N 1.720 110.349 108.800 -0.285 0.000 2.335 245 G HA2 0.449 4.409 3.960 -0.000 0.000 0.291 245 G HA3 0.449 4.409 3.960 -0.000 0.000 0.291 245 G C -0.543 174.454 174.900 0.162 0.000 1.261 245 G CA -0.441 44.583 45.100 -0.127 0.000 0.871 245 G HN 0.860 nan 8.290 nan 0.000 0.491 246 S N -1.003 114.806 115.700 0.182 0.000 2.568 246 S HA 0.331 4.801 4.470 -0.000 0.000 0.282 246 S C 1.519 176.246 174.600 0.212 0.000 1.338 246 S CA 1.230 59.520 58.200 0.150 0.000 1.045 246 S CB 1.404 64.693 63.200 0.148 0.000 0.873 246 S HN 1.667 nan 8.310 nan 0.000 0.516 247 T N 0.253 114.900 114.554 0.155 0.000 2.915 247 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 247 T C 1.575 176.322 174.700 0.079 0.000 1.071 247 T CA 1.826 63.996 62.100 0.116 0.000 1.132 247 T CB -0.727 68.222 68.868 0.137 0.000 0.878 247 T HN 0.886 nan 8.240 nan 0.000 0.479 248 H N 0.155 119.250 119.070 0.041 0.000 2.326 248 H HA 0.058 4.614 4.556 -0.000 0.000 0.301 248 H C 2.102 177.412 175.328 -0.030 0.000 1.081 248 H CA 2.063 58.119 56.048 0.014 0.000 1.334 248 H CB -0.422 29.364 29.762 0.039 0.000 1.385 248 H HN 0.250 nan 8.280 nan 0.000 0.504 249 V N 0.152 120.082 119.914 0.028 0.000 2.379 249 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 249 V C 2.743 178.592 176.094 -0.407 0.000 1.044 249 V CA 1.575 63.817 62.300 -0.097 0.000 1.036 249 V CB -1.141 30.783 31.823 0.168 0.000 0.664 249 V HN 0.729 nan 8.190 nan 0.000 0.453 250 G N -0.100 108.456 108.800 -0.406 0.000 2.469 250 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.219 250 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.219 250 G C 1.634 176.262 174.900 -0.453 0.000 1.150 250 G CA 1.333 46.041 45.100 -0.652 0.000 0.763 250 G HN 0.494 nan 8.290 nan 0.000 0.561 251 K N -0.330 119.882 120.400 -0.313 0.000 2.032 251 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 251 K C 2.658 179.092 176.600 -0.277 0.000 1.048 251 K CA 1.501 57.624 56.287 -0.273 0.000 0.927 251 K CB -0.250 32.101 32.500 -0.248 0.000 0.712 251 K HN 0.333 nan 8.250 nan 0.000 0.441 252 M N 0.188 119.601 119.600 -0.312 0.000 2.082 252 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 252 M C 2.173 178.328 176.300 -0.242 0.000 1.069 252 M CA 1.572 56.718 55.300 -0.257 0.000 1.102 252 M CB -0.198 32.253 32.600 -0.249 0.000 1.336 252 M HN 0.015 nan 8.290 nan 0.000 0.404 253 V N 0.167 119.883 119.914 -0.329 0.000 2.295 253 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 253 V C 2.596 178.550 176.094 -0.232 0.000 1.049 253 V CA 2.031 64.146 62.300 -0.309 0.000 1.024 253 V CB -1.226 30.278 31.823 -0.532 0.000 0.648 253 V HN 0.556 nan 8.190 nan 0.000 0.447 254 A N -0.338 122.329 122.820 -0.254 0.000 1.873 254 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 254 A C 2.232 179.723 177.584 -0.155 0.000 1.193 254 A CA 2.433 54.362 52.037 -0.180 0.000 0.629 254 A CB -0.567 18.325 19.000 -0.179 0.000 0.826 254 A HN 0.420 nan 8.150 nan 0.000 0.447 255 M N -1.219 118.283 119.600 -0.164 0.000 2.149 255 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 255 M C 2.332 178.549 176.300 -0.138 0.000 1.064 255 M CA 1.537 56.749 55.300 -0.146 0.000 1.102 255 M CB -1.180 31.335 32.600 -0.141 0.000 1.369 255 M HN 0.482 nan 8.290 nan 0.000 0.408 256 M N -0.850 118.672 119.600 -0.131 0.000 2.132 256 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 256 M C 2.175 178.415 176.300 -0.100 0.000 1.065 256 M CA 1.179 56.414 55.300 -0.108 0.000 1.122 256 M CB -0.353 32.189 32.600 -0.097 0.000 1.365 256 M HN 0.035 nan 8.290 nan 0.000 0.411 257 V N -0.099 119.756 119.914 -0.098 0.000 2.358 257 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 257 V C 2.277 178.308 176.094 -0.105 0.000 1.047 257 V CA 1.766 64.021 62.300 -0.075 0.000 1.035 257 V CB -0.683 31.107 31.823 -0.055 0.000 0.658 257 V HN 0.442 nan 8.190 nan 0.000 0.452 258 Q N 0.346 120.061 119.800 -0.142 0.000 2.084 258 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 258 Q C 2.245 178.037 176.000 -0.347 0.000 0.978 258 Q CA 1.767 57.444 55.803 -0.210 0.000 0.844 258 Q CB -0.468 28.159 28.738 -0.186 0.000 0.898 258 Q HN 0.556 nan 8.270 nan 0.000 0.426 259 E N 0.551 120.595 120.200 -0.261 0.000 2.097 259 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 259 E C 1.260 177.692 176.600 -0.279 0.000 1.000 259 E CA 1.664 57.907 56.400 -0.263 0.000 0.804 259 E CB -0.009 29.598 29.700 -0.154 0.000 0.740 259 E HN 0.602 nan 8.360 nan 0.000 0.454 260 R N -1.462 118.931 120.500 -0.177 0.000 2.466 260 R HA 0.119 4.459 4.340 -0.000 0.000 0.279 260 R C 0.049 176.388 176.300 0.066 0.000 0.976 260 R CA -0.128 55.942 56.100 -0.050 0.000 1.081 260 R CB -0.514 29.783 30.300 -0.006 0.000 1.215 260 R HN -0.147 nan 8.270 nan 0.000 0.546 261 F N 0.494 120.432 119.950 -0.020 0.000 3.090 261 F HA -0.226 4.301 4.527 -0.000 0.000 0.282 261 F C 0.937 176.725 175.800 -0.020 0.000 0.923 261 F CA 1.017 59.005 58.000 -0.021 0.000 0.977 261 F CB -1.673 37.316 39.000 -0.019 0.000 0.954 261 F HN 0.423 nan 8.300 nan 0.000 0.695 262 G N 0.246 109.100 108.800 0.091 0.000 2.562 262 G HA2 0.585 4.545 3.960 -0.000 0.000 0.275 262 G HA3 0.585 4.545 3.960 -0.000 0.000 0.275 262 G C -0.018 174.909 174.900 0.045 0.000 1.196 262 G CA -0.963 44.172 45.100 0.059 0.000 0.908 262 G HN 0.246 nan 8.290 nan 0.000 0.524 263 R N -0.011 120.507 120.500 0.031 0.000 2.410 263 R HA 0.397 4.737 4.340 -0.000 0.000 0.288 263 R C 0.101 176.399 176.300 -0.003 0.000 1.051 263 R CA -0.414 55.694 56.100 0.013 0.000 1.021 263 R CB 1.268 31.573 30.300 0.008 0.000 1.032 263 R HN 0.674 nan 8.270 nan 0.000 0.481 264 K N 2.475 122.864 120.400 -0.019 0.000 2.426 264 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 264 K C -1.418 175.159 176.600 -0.039 0.000 0.941 264 K CA -0.844 55.431 56.287 -0.019 0.000 0.808 264 K CB 1.964 34.451 32.500 -0.022 0.000 1.265 264 K HN 0.447 nan 8.250 nan 0.000 0.432 265 L N 3.934 125.143 121.223 -0.023 0.000 2.372 265 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 265 L C -1.681 175.217 176.870 0.045 0.000 0.989 265 L CA -0.816 54.003 54.840 -0.034 0.000 0.841 265 L CB 1.034 43.028 42.059 -0.108 0.000 1.225 265 L HN 0.636 nan 8.230 nan 0.000 0.414 266 L N 5.034 126.280 121.223 0.038 0.000 2.287 266 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 266 L C -0.381 176.542 176.870 0.088 0.000 1.022 266 L CA -0.512 54.384 54.840 0.093 0.000 0.814 266 L CB 1.526 43.608 42.059 0.038 0.000 1.217 266 L HN 0.518 nan 8.230 nan 0.000 0.420 267 E N 5.752 126.043 120.200 0.150 0.000 2.593 267 E HA 0.416 4.766 4.350 -0.000 0.000 0.232 267 E C -0.537 176.150 176.600 0.145 0.000 1.026 267 E CA -0.123 56.350 56.400 0.122 0.000 0.772 267 E CB 1.691 31.477 29.700 0.143 0.000 1.310 267 E HN 0.536 nan 8.360 nan 0.000 0.413 268 L N -0.485 120.812 121.223 0.122 0.000 2.836 268 L HA 0.615 4.955 4.340 -0.000 0.000 0.216 268 L C 1.255 178.188 176.870 0.106 0.000 1.861 268 L CA -1.178 53.745 54.840 0.138 0.000 2.145 268 L CB -0.105 42.030 42.059 0.126 0.000 2.671 268 L HN 0.302 nan 8.230 nan 0.000 0.594 269 G N -1.216 107.649 108.800 0.109 0.000 2.636 269 G HA2 0.465 4.425 3.960 -0.000 0.000 0.246 269 G HA3 0.465 4.425 3.960 -0.000 0.000 0.246 269 G C -0.466 174.508 174.900 0.123 0.000 1.216 269 G CA 0.175 45.344 45.100 0.114 0.000 0.854 269 G HN 0.700 nan 8.290 nan 0.000 0.572 270 G N -0.820 108.075 108.800 0.158 0.000 2.574 270 G HA2 0.441 4.401 3.960 -0.000 0.000 0.299 270 G HA3 0.441 4.401 3.960 -0.000 0.000 0.299 270 G C -0.912 174.084 174.900 0.161 0.000 1.298 270 G CA -0.586 44.600 45.100 0.143 0.000 0.952 270 G HN 0.576 nan 8.290 nan 0.000 0.477 271 N N 0.719 119.494 118.700 0.126 0.000 2.733 271 N HA 0.103 4.843 4.740 -0.000 0.000 0.271 271 N C -0.763 174.826 175.510 0.131 0.000 1.720 271 N CA -0.528 52.602 53.050 0.134 0.000 0.803 271 N CB 0.233 38.768 38.487 0.081 0.000 1.208 271 N HN 0.447 nan 8.380 nan 0.000 0.498 272 N N 0.648 119.442 118.700 0.156 0.000 2.497 272 N HA 0.301 5.041 4.740 -0.000 0.000 0.271 272 N C -0.367 175.246 175.510 0.172 0.000 1.142 272 N CA -0.013 53.129 53.050 0.154 0.000 0.965 272 N CB 1.698 40.281 38.487 0.160 0.000 1.077 272 N HN 0.348 nan 8.380 nan 0.000 0.462 273 A N 2.779 125.706 122.820 0.179 0.000 2.330 273 A HA 0.615 4.935 4.320 -0.000 0.000 0.327 273 A C -0.031 177.671 177.584 0.195 0.000 1.155 273 A CA -0.702 51.446 52.037 0.186 0.000 0.803 273 A CB 0.680 19.791 19.000 0.184 0.000 1.208 273 A HN 0.672 nan 8.150 nan 0.000 0.477 274 I N 2.887 123.565 120.570 0.180 0.000 2.354 274 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 274 I C -0.762 175.434 176.117 0.132 0.000 0.989 274 I CA -0.248 61.170 61.300 0.197 0.000 1.188 274 I CB 1.416 39.535 38.000 0.198 0.000 1.342 274 I HN 0.497 nan 8.210 nan 0.000 0.457 275 I N 7.118 127.743 120.570 0.090 0.000 2.355 275 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 275 I C -0.516 175.655 176.117 0.091 0.000 0.999 275 I CA -0.745 60.532 61.300 -0.038 0.000 1.163 275 I CB 1.670 39.503 38.000 -0.278 0.000 1.316 275 I HN 0.164 nan 8.210 nan 0.000 0.454 276 V N 7.065 127.053 119.914 0.122 0.000 2.347 276 V HA 0.365 4.485 4.120 -0.000 0.000 0.280 276 V C -0.049 176.141 176.094 0.162 0.000 1.021 276 V CA -0.393 62.014 62.300 0.178 0.000 0.847 276 V CB 0.798 32.662 31.823 0.069 0.000 0.990 276 V HN 0.388 nan 8.190 nan 0.000 0.444 277 F N 1.692 121.780 119.950 0.231 0.000 2.380 277 F HA 0.300 4.827 4.527 -0.000 0.000 0.319 277 F C 1.714 177.507 175.800 -0.011 0.000 1.113 277 F CA -0.266 57.820 58.000 0.142 0.000 1.056 277 F CB 0.795 39.844 39.000 0.082 0.000 1.289 277 F HN 0.554 nan 8.300 nan 0.000 0.515 278 E N 0.419 120.623 120.200 0.006 0.000 2.118 278 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 278 E C 1.143 177.751 176.600 0.012 0.000 0.992 278 E CA 1.699 58.045 56.400 -0.090 0.000 0.804 278 E CB -0.080 29.449 29.700 -0.286 0.000 0.741 278 E HN 0.680 nan 8.360 nan 0.000 0.458 279 D N -0.125 120.301 120.400 0.044 0.000 2.319 279 D HA 0.073 4.713 4.640 -0.000 0.000 0.230 279 D C 0.028 176.374 176.300 0.077 0.000 1.094 279 D CA 0.094 54.118 54.000 0.041 0.000 0.856 279 D CB -0.113 40.694 40.800 0.013 0.000 0.915 279 D HN 0.161 nan 8.370 nan 0.000 0.517 280 A N 0.583 123.476 122.820 0.123 0.000 2.445 280 A HA 0.161 4.481 4.320 -0.000 0.000 0.242 280 A C 0.209 177.861 177.584 0.114 0.000 1.075 280 A CA -0.333 51.799 52.037 0.159 0.000 0.777 280 A CB 0.243 19.375 19.000 0.221 0.000 1.013 280 A HN 0.125 nan 8.150 nan 0.000 0.493 281 D N 1.849 122.329 120.400 0.134 0.000 2.344 281 D HA 0.170 4.810 4.640 -0.000 0.000 0.253 281 D C 0.682 177.030 176.300 0.080 0.000 1.255 281 D CA -0.279 53.782 54.000 0.101 0.000 0.894 281 D CB 0.373 41.240 40.800 0.112 0.000 1.067 281 D HN 0.232 nan 8.370 nan 0.000 0.492 282 L N 4.167 125.414 121.223 0.040 0.000 2.201 282 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 282 L C 1.879 178.745 176.870 -0.007 0.000 1.105 282 L CA 0.874 55.714 54.840 -0.000 0.000 0.775 282 L CB -0.784 41.272 42.059 -0.005 0.000 0.913 282 L HN 0.408 nan 8.230 nan 0.000 0.440 283 N N -0.774 117.938 118.700 0.019 0.000 2.381 283 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 283 N C 1.759 177.293 175.510 0.040 0.000 1.025 283 N CA 0.725 53.789 53.050 0.024 0.000 0.888 283 N CB -0.045 38.463 38.487 0.035 0.000 0.965 283 N HN 0.258 nan 8.380 nan 0.000 0.438 284 L N -0.034 121.228 121.223 0.065 0.000 2.168 284 L HA 0.120 4.460 4.340 -0.000 0.000 0.203 284 L C 1.853 178.740 176.870 0.029 0.000 1.078 284 L CA 0.857 55.767 54.840 0.115 0.000 0.780 284 L CB -0.442 41.744 42.059 0.213 0.000 0.939 284 L HN -0.192 nan 8.230 nan 0.000 0.451 285 V N -0.584 119.263 119.914 -0.112 0.000 2.255 285 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 285 V C 2.526 178.447 176.094 -0.288 0.000 1.051 285 V CA 1.950 63.989 62.300 -0.434 0.000 1.018 285 V CB -0.679 30.927 31.823 -0.362 0.000 0.641 285 V HN 0.335 nan 8.190 nan 0.000 0.445 286 V N 0.478 120.296 119.914 -0.160 0.000 2.231 286 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 286 V C 0.171 176.176 176.094 -0.149 0.000 1.054 286 V CA 2.844 65.063 62.300 -0.134 0.000 1.015 286 V CB -1.975 29.792 31.823 -0.093 0.000 0.638 286 V HN 0.535 nan 8.190 nan 0.000 0.444 287 P HA -0.046 nan 4.420 nan 0.000 0.219 287 P C 1.952 179.197 177.300 -0.092 0.000 1.150 287 P CA 1.427 64.423 63.100 -0.174 0.000 0.814 287 P CB -0.070 31.659 31.700 0.048 0.000 0.787 288 S N 0.192 115.911 115.700 0.032 0.000 2.351 288 S HA -0.193 4.277 4.470 -0.000 0.000 0.220 288 S C 2.129 176.763 174.600 0.057 0.000 1.035 288 S CA 1.635 59.910 58.200 0.126 0.000 1.031 288 S CB -1.299 61.991 63.200 0.150 0.000 0.928 288 S HN 0.158 nan 8.310 nan 0.000 0.433 289 A N 1.248 124.022 122.820 -0.077 0.000 1.892 289 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 289 A C 2.376 179.964 177.584 0.006 0.000 1.188 289 A CA 1.907 53.918 52.037 -0.043 0.000 0.631 289 A CB -1.140 17.797 19.000 -0.104 0.000 0.822 289 A HN 0.336 nan 8.150 nan 0.000 0.447 290 V N -1.045 118.811 119.914 -0.095 0.000 2.233 290 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 290 V C 2.357 178.376 176.094 -0.125 0.000 1.050 290 V CA 2.343 64.552 62.300 -0.151 0.000 1.010 290 V CB -1.111 30.447 31.823 -0.442 0.000 0.637 290 V HN 0.553 nan 8.190 nan 0.000 0.444 291 F N 0.843 120.824 119.950 0.052 0.000 2.216 291 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 291 F C 2.408 178.254 175.800 0.077 0.000 1.085 291 F CA 0.955 58.986 58.000 0.053 0.000 1.326 291 F CB -1.321 37.714 39.000 0.059 0.000 1.027 291 F HN 0.101 nan 8.300 nan 0.000 0.497 292 A N -0.934 122.038 122.820 0.253 0.000 2.015 292 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 292 A C 2.343 180.030 177.584 0.171 0.000 1.163 292 A CA 1.881 54.042 52.037 0.208 0.000 0.646 292 A CB -0.780 18.341 19.000 0.201 0.000 0.806 292 A HN 0.319 nan 8.150 nan 0.000 0.448 293 S N -1.183 114.609 115.700 0.153 0.000 2.404 293 S HA 0.010 4.480 4.470 -0.000 0.000 0.223 293 S C 1.731 176.412 174.600 0.136 0.000 1.040 293 S CA 1.030 59.320 58.200 0.150 0.000 0.957 293 S CB -0.006 63.310 63.200 0.195 0.000 0.826 293 S HN 0.271 nan 8.310 nan 0.000 0.491 294 V N 1.640 121.618 119.914 0.107 0.000 2.878 294 V HA 0.176 4.296 4.120 -0.000 0.000 0.250 294 V C 1.470 177.681 176.094 0.195 0.000 1.075 294 V CA 0.604 62.970 62.300 0.111 0.000 1.096 294 V CB -0.867 30.892 31.823 -0.107 0.000 0.724 294 V HN 0.479 nan 8.190 nan 0.000 0.467 295 G N -0.010 108.893 108.800 0.172 0.000 2.391 295 G HA2 0.211 4.171 3.960 -0.000 0.000 0.234 295 G HA3 0.211 4.171 3.960 -0.000 0.000 0.234 295 G C 0.767 175.696 174.900 0.049 0.000 1.284 295 G CA 0.814 45.994 45.100 0.133 0.000 0.873 295 G HN 0.525 nan 8.290 nan 0.000 0.549 296 T N -0.211 114.336 114.554 -0.013 0.000 4.242 296 T HA -0.161 4.189 4.350 -0.000 0.000 0.327 296 T C 1.450 176.045 174.700 -0.174 0.000 0.837 296 T CA 1.769 63.807 62.100 -0.103 0.000 1.949 296 T CB -1.962 66.840 68.868 -0.110 0.000 1.943 296 T HN 2.659 nan 8.240 nan 0.000 0.863 297 A N -1.028 121.660 122.820 -0.221 0.000 2.822 297 A HA 0.221 4.541 4.320 -0.000 0.000 0.287 297 A C 2.150 179.649 177.584 -0.142 0.000 1.479 297 A CA 1.401 53.218 52.037 -0.368 0.000 0.779 297 A CB -2.057 16.557 19.000 -0.644 0.000 1.022 297 A HN 2.665 nan 8.150 nan 0.000 0.532 298 G N -2.126 106.637 108.800 -0.062 0.000 2.160 298 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 298 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 298 G C 0.181 174.892 174.900 -0.316 0.000 1.008 298 G CA 0.924 45.977 45.100 -0.078 0.000 0.724 298 G HN 1.418 nan 8.290 nan 0.000 0.514 299 Q N -0.611 118.963 119.800 -0.377 0.000 2.186 299 Q HA 0.206 4.546 4.340 -0.000 0.000 0.241 299 Q C 0.900 176.662 176.000 -0.397 0.000 0.849 299 Q CA -0.312 55.024 55.803 -0.778 0.000 1.053 299 Q CB 0.647 29.180 28.738 -0.342 0.000 1.146 299 Q HN 0.588 nan 8.270 nan 0.000 0.475 300 R N 0.083 120.531 120.500 -0.087 0.000 2.486 300 R HA 0.190 4.530 4.340 -0.000 0.000 0.286 300 R C 1.223 177.750 176.300 0.378 0.000 0.999 300 R CA -0.266 56.027 56.100 0.322 0.000 0.993 300 R CB 0.819 31.336 30.300 0.362 0.000 1.084 300 R HN 0.300 nan 8.270 nan 0.000 0.487 301 C N -1.018 118.590 119.300 0.515 0.000 2.419 301 C HA -0.079 4.381 4.460 -0.000 0.000 0.283 301 C C 2.084 177.272 174.990 0.330 0.000 1.373 301 C CA 0.738 60.031 59.018 0.458 0.000 1.781 301 C CB -1.389 26.554 27.740 0.338 0.000 1.886 301 C HN 0.903 nan 8.230 nan 0.000 0.520 302 T N -2.636 112.100 114.554 0.302 0.000 3.107 302 T HA 0.110 4.460 4.350 -0.000 0.000 0.249 302 T C 0.501 175.330 174.700 0.215 0.000 1.096 302 T CA 0.296 62.545 62.100 0.248 0.000 1.012 302 T CB -0.743 68.287 68.868 0.270 0.000 0.977 302 T HN 0.516 nan 8.240 nan 0.000 0.527 303 T N 4.002 118.678 114.554 0.204 0.000 2.933 303 T HA 0.128 4.478 4.350 -0.000 0.000 0.306 303 T C 0.329 175.130 174.700 0.169 0.000 1.045 303 T CA 0.273 62.470 62.100 0.162 0.000 1.143 303 T CB 0.414 69.337 68.868 0.092 0.000 1.003 303 T HN 0.341 nan 8.240 nan 0.000 0.540 304 T N 5.273 119.926 114.554 0.165 0.000 2.853 304 T HA 0.095 4.445 4.350 -0.000 0.000 0.298 304 T C 1.324 176.121 174.700 0.162 0.000 0.978 304 T CA -0.495 61.705 62.100 0.167 0.000 1.152 304 T CB 0.541 69.505 68.868 0.159 0.000 0.914 304 T HN 0.452 nan 8.240 nan 0.000 0.539 305 R N 2.311 122.923 120.500 0.188 0.000 2.287 305 R HA 0.178 4.518 4.340 -0.000 0.000 0.197 305 R C 0.391 176.860 176.300 0.282 0.000 0.900 305 R CA 0.307 56.544 56.100 0.228 0.000 1.052 305 R CB 0.569 31.035 30.300 0.276 0.000 1.117 305 R HN 0.489 nan 8.270 nan 0.000 0.568 306 R N 1.128 121.771 120.500 0.239 0.000 2.476 306 R HA 0.392 4.732 4.340 -0.000 0.000 0.305 306 R C -1.183 175.231 176.300 0.190 0.000 0.965 306 R CA -0.754 55.491 56.100 0.242 0.000 0.867 306 R CB 2.038 32.473 30.300 0.224 0.000 1.176 306 R HN -0.146 nan 8.270 nan 0.000 0.447 307 L N 4.214 125.540 121.223 0.172 0.000 2.316 307 L HA 0.467 4.807 4.340 -0.000 0.000 0.280 307 L C -0.939 176.034 176.870 0.171 0.000 1.006 307 L CA -0.237 54.683 54.840 0.133 0.000 0.836 307 L CB 1.346 43.446 42.059 0.068 0.000 1.221 307 L HN 0.605 nan 8.230 nan 0.000 0.418 308 M N 6.656 126.369 119.600 0.189 0.000 2.113 308 M HA 0.443 4.923 4.480 -0.000 0.000 0.352 308 M C -1.095 175.420 176.300 0.358 0.000 1.170 308 M CA -0.225 55.251 55.300 0.294 0.000 1.053 308 M CB 1.147 33.855 32.600 0.181 0.000 1.601 308 M HN 0.455 nan 8.290 nan 0.000 0.459 309 L N 2.598 124.051 121.223 0.383 0.000 2.341 309 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 309 L C 0.280 177.118 176.870 -0.053 0.000 1.005 309 L CA -0.914 54.051 54.840 0.209 0.000 0.818 309 L CB 1.427 43.544 42.059 0.096 0.000 1.259 309 L HN 0.625 nan 8.230 nan 0.000 0.418 310 H N 3.635 122.397 119.070 -0.512 0.000 2.815 310 H HA -0.029 4.527 4.556 -0.000 0.000 0.350 310 H C 0.820 175.910 175.328 -0.397 0.000 1.080 310 H CA 0.498 55.962 56.048 -0.974 0.000 1.433 310 H CB 1.311 30.620 29.762 -0.755 0.000 1.432 310 H HN 0.877 nan 8.280 nan 0.000 0.592 311 E N 2.209 121.873 120.200 -0.893 0.000 2.147 311 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 311 E C 1.692 178.163 176.600 -0.215 0.000 1.005 311 E CA 1.803 57.925 56.400 -0.463 0.000 0.810 311 E CB -0.161 29.252 29.700 -0.480 0.000 0.736 311 E HN 0.626 nan 8.360 nan 0.000 0.460 312 S N 0.934 116.555 115.700 -0.132 0.000 2.419 312 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 312 S C 2.126 176.758 174.600 0.052 0.000 1.016 312 S CA 1.320 59.552 58.200 0.053 0.000 0.974 312 S CB -0.297 63.020 63.200 0.195 0.000 0.786 312 S HN 0.434 nan 8.310 nan 0.000 0.492 313 V N -2.739 117.210 119.914 0.058 0.000 3.605 313 V HA 0.275 4.395 4.120 -0.000 0.000 0.284 313 V C 2.110 178.221 176.094 0.028 0.000 1.386 313 V CA 0.327 62.649 62.300 0.036 0.000 1.053 313 V CB -0.895 30.946 31.823 0.030 0.000 0.857 313 V HN 0.510 nan 8.190 nan 0.000 0.436 314 H N 2.374 121.408 119.070 -0.060 0.000 2.255 314 H HA -0.245 4.311 4.556 0.000 0.000 0.290 314 H C 1.788 177.091 175.328 -0.042 0.000 1.087 314 H CA 2.940 58.955 56.048 -0.055 0.000 1.213 314 H CB -0.283 29.435 29.762 -0.073 0.000 1.349 314 H HN 0.457 nan 8.280 nan 0.000 0.487 315 D N 0.328 120.805 120.400 0.129 0.000 2.144 315 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 315 D C 2.292 178.571 176.300 -0.035 0.000 0.984 315 D CA 1.183 55.218 54.000 0.058 0.000 0.834 315 D CB -0.566 40.289 40.800 0.092 0.000 0.955 315 D HN 0.507 nan 8.370 nan 0.000 0.465 316 A N 0.578 123.383 122.820 -0.026 0.000 1.902 316 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 316 A C 2.522 180.065 177.584 -0.067 0.000 1.181 316 A CA 1.185 53.200 52.037 -0.037 0.000 0.623 316 A CB -0.679 18.310 19.000 -0.019 0.000 0.818 316 A HN 0.145 nan 8.150 nan 0.000 0.443 317 V N -0.511 119.348 119.914 -0.092 0.000 2.323 317 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 317 V C 2.572 178.574 176.094 -0.153 0.000 1.041 317 V CA 1.781 64.012 62.300 -0.115 0.000 1.025 317 V CB -0.772 30.981 31.823 -0.118 0.000 0.656 317 V HN 0.349 nan 8.190 nan 0.000 0.451 318 V N -0.011 119.774 119.914 -0.216 0.000 2.282 318 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 318 V C 2.480 178.474 176.094 -0.167 0.000 1.057 318 V CA 2.560 64.721 62.300 -0.232 0.000 1.032 318 V CB -0.574 31.071 31.823 -0.297 0.000 0.645 318 V HN 0.647 nan 8.190 nan 0.000 0.447 319 E N -0.354 119.772 120.200 -0.123 0.000 2.077 319 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 319 E C 2.486 179.039 176.600 -0.078 0.000 0.989 319 E CA 1.217 57.565 56.400 -0.087 0.000 0.800 319 E CB -0.018 29.646 29.700 -0.059 0.000 0.746 319 E HN 0.523 nan 8.360 nan 0.000 0.452 320 R N 0.042 120.495 120.500 -0.077 0.000 2.075 320 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 320 R C 2.454 178.714 176.300 -0.067 0.000 1.126 320 R CA 1.259 57.321 56.100 -0.063 0.000 0.963 320 R CB -0.198 30.066 30.300 -0.059 0.000 0.858 320 R HN 0.269 nan 8.270 nan 0.000 0.435 321 I N 0.470 120.983 120.570 -0.096 0.000 2.226 321 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 321 I C 2.557 178.625 176.117 -0.083 0.000 1.100 321 I CA 1.142 62.389 61.300 -0.089 0.000 1.374 321 I CB -0.422 37.488 38.000 -0.150 0.000 1.057 321 I HN 0.197 nan 8.210 nan 0.000 0.413 322 A N 0.850 123.580 122.820 -0.151 0.000 1.902 322 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 322 A C 2.322 179.894 177.584 -0.019 0.000 1.181 322 A CA 1.627 53.583 52.037 -0.136 0.000 0.623 322 A CB -0.440 18.478 19.000 -0.136 0.000 0.818 322 A HN 0.299 nan 8.150 nan 0.000 0.443 323 K N -0.445 119.943 120.400 -0.021 0.000 2.097 323 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 323 K C 2.249 178.859 176.600 0.017 0.000 1.049 323 K CA 1.112 57.397 56.287 -0.004 0.000 0.933 323 K CB -0.273 32.218 32.500 -0.015 0.000 0.717 323 K HN 0.463 nan 8.250 nan 0.000 0.442 324 A N 0.216 123.051 122.820 0.025 0.000 1.897 324 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 324 A C 1.806 179.420 177.584 0.050 0.000 1.181 324 A CA 1.109 53.155 52.037 0.015 0.000 0.620 324 A CB -0.697 18.285 19.000 -0.031 0.000 0.821 324 A HN 0.249 nan 8.150 nan 0.000 0.443 325 Y N 0.444 120.681 120.300 -0.104 0.000 2.193 325 Y HA -0.222 4.328 4.550 -0.000 0.000 0.285 325 Y C 2.328 178.173 175.900 -0.092 0.000 1.166 325 Y CA 1.906 59.943 58.100 -0.106 0.000 1.181 325 Y CB -0.306 38.094 38.460 -0.100 0.000 0.976 325 Y HN 0.292 nan 8.280 nan 0.000 0.520 326 K N -0.307 120.140 120.400 0.079 0.000 2.147 326 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 326 K C 1.694 178.290 176.600 -0.006 0.000 1.049 326 K CA 1.555 57.856 56.287 0.023 0.000 0.936 326 K CB -0.146 32.365 32.500 0.019 0.000 0.722 326 K HN 0.439 nan 8.250 nan 0.000 0.446 327 Q N 0.188 119.982 119.800 -0.009 0.000 2.360 327 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 327 Q C -0.498 175.491 176.000 -0.018 0.000 0.915 327 Q CA -0.115 55.683 55.803 -0.009 0.000 0.943 327 Q CB 0.749 29.489 28.738 0.004 0.000 1.064 327 Q HN -0.003 nan 8.270 nan 0.000 0.511 328 V N 2.647 122.521 119.914 -0.066 0.000 2.421 328 V HA 0.006 4.126 4.120 -0.000 0.000 0.271 328 V C 0.417 176.483 176.094 -0.046 0.000 1.031 328 V CA 0.352 62.601 62.300 -0.085 0.000 1.032 328 V CB 0.164 31.834 31.823 -0.256 0.000 1.009 328 V HN 0.225 nan 8.190 nan 0.000 0.477 329 R N 5.563 126.078 120.500 0.025 0.000 2.291 329 R HA 0.380 4.720 4.340 -0.000 0.000 0.333 329 R C -0.462 175.899 176.300 0.102 0.000 1.082 329 R CA -0.053 56.075 56.100 0.047 0.000 0.948 329 R CB 0.249 30.581 30.300 0.052 0.000 1.009 329 R HN 0.616 nan 8.270 nan 0.000 0.460 330 I N 2.280 122.905 120.570 0.091 0.000 2.365 330 I HA 0.480 4.650 4.170 -0.000 0.000 0.291 330 I C 0.997 177.176 176.117 0.102 0.000 1.004 330 I CA 0.013 61.431 61.300 0.196 0.000 1.311 330 I CB 1.637 39.745 38.000 0.178 0.000 1.401 330 I HN 0.725 nan 8.210 nan 0.000 0.491 331 G N 3.930 112.833 108.800 0.171 0.000 2.428 331 G HA2 0.135 4.095 3.960 -0.000 0.000 0.305 331 G HA3 0.135 4.095 3.960 -0.000 0.000 0.305 331 G C -1.819 173.215 174.900 0.223 0.000 1.260 331 G CA -0.797 44.340 45.100 0.062 0.000 0.853 331 G HN 0.450 nan 8.290 nan 0.000 0.480 332 D N 1.250 121.757 120.400 0.178 0.000 2.493 332 D HA 0.334 4.973 4.640 -0.000 0.000 0.240 332 D C -1.253 175.204 176.300 0.260 0.000 1.142 332 D CA -0.570 53.584 54.000 0.258 0.000 0.872 332 D CB 1.851 42.789 40.800 0.229 0.000 1.173 332 D HN -0.009 nan 8.370 nan 0.000 0.467 333 P HA -0.116 nan 4.420 nan 0.000 0.220 333 P C 0.847 178.333 177.300 0.311 0.000 1.148 333 P CA 0.536 63.775 63.100 0.231 0.000 0.803 333 P CB 0.152 31.957 31.700 0.175 0.000 0.782 334 W N 0.848 122.210 121.300 0.103 0.000 2.467 334 W HA 0.000 4.660 4.660 0.000 0.000 0.275 334 W C 0.045 176.553 176.519 -0.019 0.000 1.239 334 W CA 0.608 57.978 57.345 0.042 0.000 1.266 334 W CB -0.691 28.797 29.460 0.046 0.000 1.112 334 W HN -0.138 nan 8.180 nan 0.000 0.576 335 D N 1.479 121.966 120.400 0.145 0.000 2.371 335 D HA -0.002 4.638 4.640 -0.000 0.000 0.256 335 D C -1.162 175.141 176.300 0.006 0.000 1.193 335 D CA -0.759 53.241 54.000 -0.000 0.000 0.881 335 D CB 1.362 42.185 40.800 0.039 0.000 1.143 335 D HN 0.034 nan 8.370 nan 0.000 0.473 336 P HA -0.091 nan 4.420 nan 0.000 0.222 336 P C 1.212 178.518 177.300 0.010 0.000 1.147 336 P CA 0.606 63.693 63.100 -0.021 0.000 0.790 336 P CB 0.517 32.170 31.700 -0.077 0.000 0.780 337 S N -0.998 114.705 115.700 0.005 0.000 2.406 337 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 337 S C 0.869 175.500 174.600 0.052 0.000 1.020 337 S CA 0.751 58.964 58.200 0.021 0.000 0.965 337 S CB -0.815 62.391 63.200 0.011 0.000 0.798 337 S HN 0.266 nan 8.310 nan 0.000 0.488 338 T N 2.680 117.278 114.554 0.073 0.000 2.853 338 T HA 0.188 4.538 4.350 -0.000 0.000 0.298 338 T C 0.972 175.743 174.700 0.119 0.000 0.978 338 T CA 0.231 62.398 62.100 0.111 0.000 1.152 338 T CB 0.632 69.586 68.868 0.143 0.000 0.914 338 T HN 0.167 nan 8.240 nan 0.000 0.539 339 L N 2.181 123.489 121.223 0.143 0.000 2.590 339 L HA 0.326 4.666 4.340 -0.000 0.000 0.227 339 L C -0.038 176.961 176.870 0.215 0.000 1.099 339 L CA 0.152 55.084 54.840 0.153 0.000 0.872 339 L CB 0.255 42.409 42.059 0.159 0.000 1.088 339 L HN 0.631 nan 8.230 nan 0.000 0.479 340 Y N 0.420 120.763 120.300 0.072 0.000 2.307 340 Y HA 0.591 5.141 4.550 -0.000 0.000 0.323 340 Y C 0.124 176.100 175.900 0.125 0.000 1.100 340 Y CA -1.008 57.131 58.100 0.065 0.000 1.140 340 Y CB 1.122 39.603 38.460 0.035 0.000 1.159 340 Y HN -0.076 nan 8.280 nan 0.000 0.436 341 G N 5.053 113.751 108.800 -0.170 0.000 2.641 341 G HA2 0.588 4.548 3.960 -0.000 0.000 0.239 341 G HA3 0.588 4.548 3.960 -0.000 0.000 0.239 341 G C -2.860 171.718 174.900 -0.536 0.000 1.402 341 G CA -1.664 43.364 45.100 -0.121 0.000 1.046 341 G HN 0.418 nan 8.290 nan 0.000 0.565 342 P HA 0.322 nan 4.420 nan 0.000 0.278 342 P C -0.018 176.987 177.300 -0.490 0.000 1.258 342 P CA -0.497 62.033 63.100 -0.951 0.000 0.811 342 P CB 1.305 32.403 31.700 -1.004 0.000 1.063 343 L N 1.116 122.112 121.223 -0.379 0.000 2.473 343 L HA 0.024 4.364 4.340 -0.000 0.000 0.268 343 L C 2.255 179.035 176.870 -0.149 0.000 1.215 343 L CA -0.078 54.640 54.840 -0.203 0.000 0.823 343 L CB -0.332 41.633 42.059 -0.155 0.000 1.099 343 L HN 0.591 nan 8.230 nan 0.000 0.483 344 H N 0.203 119.163 119.070 -0.184 0.000 2.395 344 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 344 H C 0.573 175.738 175.328 -0.270 0.000 1.070 344 H CA 1.329 57.220 56.048 -0.261 0.000 1.356 344 H CB 0.296 29.744 29.762 -0.522 0.000 1.401 344 H HN 0.759 nan 8.280 nan 0.000 0.524 345 T N -3.583 110.785 114.554 -0.309 0.000 2.838 345 T HA 0.318 4.668 4.350 -0.000 0.000 0.292 345 T C 0.709 175.307 174.700 -0.171 0.000 1.113 345 T CA -0.969 60.953 62.100 -0.296 0.000 1.008 345 T CB 2.009 70.718 68.868 -0.266 0.000 1.259 345 T HN 0.078 nan 8.240 nan 0.000 0.520 346 K N -0.119 120.191 120.400 -0.149 0.000 2.155 346 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 346 K C 2.299 178.872 176.600 -0.046 0.000 1.052 346 K CA 1.242 57.473 56.287 -0.093 0.000 0.948 346 K CB -0.162 32.279 32.500 -0.098 0.000 0.728 346 K HN 0.491 nan 8.250 nan 0.000 0.448 347 Q N 0.442 120.214 119.800 -0.046 0.000 2.096 347 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 347 Q C 2.046 178.068 176.000 0.036 0.000 0.982 347 Q CA 1.794 57.595 55.803 -0.003 0.000 0.850 347 Q CB -0.385 28.350 28.738 -0.005 0.000 0.901 347 Q HN 0.343 nan 8.270 nan 0.000 0.422 348 A N 0.121 122.958 122.820 0.028 0.000 1.917 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 348 A C 2.323 179.967 177.584 0.100 0.000 1.182 348 A CA 1.772 53.858 52.037 0.083 0.000 0.633 348 A CB -0.929 18.104 19.000 0.055 0.000 0.819 348 A HN 0.242 nan 8.150 nan 0.000 0.448 349 V N 0.683 120.624 119.914 0.046 0.000 2.343 349 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 349 V C 2.137 178.332 176.094 0.168 0.000 1.051 349 V CA 2.248 64.592 62.300 0.073 0.000 1.036 349 V CB -0.837 30.993 31.823 0.013 0.000 0.654 349 V HN 0.520 nan 8.190 nan 0.000 0.451 350 D N -0.246 120.220 120.400 0.110 0.000 2.117 350 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 350 D C 2.383 178.757 176.300 0.124 0.000 0.987 350 D CA 1.093 55.156 54.000 0.104 0.000 0.829 350 D CB -0.273 40.563 40.800 0.060 0.000 0.961 350 D HN 0.511 nan 8.370 nan 0.000 0.460 351 Q N -0.030 119.855 119.800 0.141 0.000 2.084 351 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 351 Q C 2.250 178.359 176.000 0.182 0.000 0.978 351 Q CA 0.994 56.888 55.803 0.151 0.000 0.844 351 Q CB -0.800 28.045 28.738 0.178 0.000 0.898 351 Q HN 0.488 nan 8.270 nan 0.000 0.426 352 Y N 1.773 122.127 120.300 0.090 0.000 2.081 352 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 352 Y C 2.173 178.120 175.900 0.077 0.000 1.163 352 Y CA 1.571 59.724 58.100 0.088 0.000 1.135 352 Y CB -0.380 38.128 38.460 0.080 0.000 0.970 352 Y HN -0.025 nan 8.280 nan 0.000 0.498 353 L N -0.192 121.099 121.223 0.114 0.000 2.046 353 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 353 L C 2.807 179.662 176.870 -0.026 0.000 1.077 353 L CA 1.148 55.991 54.840 0.005 0.000 0.747 353 L CB -0.898 41.226 42.059 0.109 0.000 0.896 353 L HN 0.411 nan 8.230 nan 0.000 0.432 354 A N -0.183 122.650 122.820 0.023 0.000 1.898 354 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 354 A C 2.498 180.090 177.584 0.013 0.000 1.181 354 A CA 1.590 53.640 52.037 0.021 0.000 0.620 354 A CB -0.620 18.405 19.000 0.041 0.000 0.819 354 A HN 0.397 nan 8.150 nan 0.000 0.442 355 A N 0.035 122.867 122.820 0.020 0.000 1.930 355 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 355 A C 2.003 179.595 177.584 0.015 0.000 1.175 355 A CA 1.403 53.470 52.037 0.050 0.000 0.627 355 A CB -0.467 18.601 19.000 0.114 0.000 0.815 355 A HN 0.401 nan 8.150 nan 0.000 0.443 356 I N 0.225 120.735 120.570 -0.100 0.000 2.118 356 I HA -0.223 3.947 4.170 -0.000 0.000 0.241 356 I C 2.486 178.576 176.117 -0.046 0.000 1.070 356 I CA 1.543 62.770 61.300 -0.122 0.000 1.327 356 I CB -1.429 36.426 38.000 -0.242 0.000 1.034 356 I HN 0.345 nan 8.210 nan 0.000 0.405 357 E N 0.775 120.953 120.200 -0.037 0.000 2.038 357 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 357 E C 2.200 178.796 176.600 -0.007 0.000 1.000 357 E CA 1.389 57.779 56.400 -0.016 0.000 0.803 357 E CB -0.345 29.349 29.700 -0.009 0.000 0.750 357 E HN 0.586 nan 8.360 nan 0.000 0.448 358 Q N 0.017 119.816 119.800 -0.000 0.000 2.124 358 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 358 Q C 2.115 178.114 176.000 -0.002 0.000 0.977 358 Q CA 1.439 57.240 55.803 -0.003 0.000 0.850 358 Q CB -0.179 28.559 28.738 0.000 0.000 0.901 358 Q HN 0.253 nan 8.270 nan 0.000 0.429 359 A N 1.410 124.246 122.820 0.027 0.000 1.877 359 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 359 A C 1.901 179.496 177.584 0.019 0.000 1.186 359 A CA 1.621 53.688 52.037 0.050 0.000 0.620 359 A CB -0.309 18.769 19.000 0.130 0.000 0.822 359 A HN 0.185 nan 8.150 nan 0.000 0.443 360 K N -0.547 119.857 120.400 0.007 0.000 2.002 360 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 360 K C 2.327 178.921 176.600 -0.010 0.000 1.048 360 K CA 1.796 58.081 56.287 -0.002 0.000 0.930 360 K CB -0.271 32.225 32.500 -0.007 0.000 0.714 360 K HN 0.602 nan 8.250 nan 0.000 0.438 361 Q N 0.560 120.352 119.800 -0.013 0.000 2.197 361 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 361 Q C 1.356 177.339 176.000 -0.029 0.000 0.984 361 Q CA 1.390 57.181 55.803 -0.020 0.000 0.869 361 Q CB -0.003 28.723 28.738 -0.020 0.000 0.906 361 Q HN 0.366 nan 8.270 nan 0.000 0.426 362 Q N -1.143 118.637 119.800 -0.034 0.000 2.280 362 Q HA 0.157 4.497 4.340 -0.000 0.000 0.202 362 Q C 0.329 176.300 176.000 -0.048 0.000 0.903 362 Q CA 0.300 56.071 55.803 -0.052 0.000 0.948 362 Q CB 0.939 29.633 28.738 -0.073 0.000 1.058 362 Q HN 0.493 nan 8.270 nan 0.000 0.493 363 G N -0.075 108.707 108.800 -0.030 0.000 2.130 363 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 363 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 363 G C 0.199 175.093 174.900 -0.010 0.000 0.999 363 G CA -0.368 44.718 45.100 -0.024 0.000 0.686 363 G HN 0.481 nan 8.290 nan 0.000 0.515 364 G N -0.415 108.386 108.800 0.003 0.000 2.420 364 G HA2 0.624 4.584 3.960 -0.000 0.000 0.284 364 G HA3 0.624 4.584 3.960 -0.000 0.000 0.284 364 G C -0.086 174.825 174.900 0.017 0.000 1.177 364 G CA 0.448 45.563 45.100 0.024 0.000 0.841 364 G HN 0.615 nan 8.290 nan 0.000 0.527 365 T N 2.024 116.590 114.554 0.020 0.000 2.779 365 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 365 T C -0.105 174.596 174.700 0.002 0.000 0.987 365 T CA -0.443 61.663 62.100 0.009 0.000 0.966 365 T CB 1.556 70.430 68.868 0.009 0.000 0.933 365 T HN 0.196 nan 8.240 nan 0.000 0.442 366 L N 4.163 125.381 121.223 -0.008 0.000 2.433 366 L HA 0.142 4.482 4.340 -0.000 0.000 0.275 366 L C 1.474 178.326 176.870 -0.029 0.000 1.128 366 L CA 0.409 55.236 54.840 -0.021 0.000 0.875 366 L CB 0.616 42.664 42.059 -0.019 0.000 1.171 366 L HN 0.576 nan 8.230 nan 0.000 0.463 367 V N 2.591 122.473 119.914 -0.053 0.000 2.488 367 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 367 V C 0.658 176.711 176.094 -0.069 0.000 1.046 367 V CA 1.256 63.514 62.300 -0.070 0.000 1.053 367 V CB 0.007 31.762 31.823 -0.114 0.000 0.679 367 V HN 0.995 nan 8.190 nan 0.000 0.458 368 C N -3.584 115.675 119.300 -0.068 0.000 3.275 368 C HA 0.780 5.240 4.460 -0.000 0.000 0.340 368 C C 0.490 175.489 174.990 0.015 0.000 1.366 368 C CA -0.570 58.431 59.018 -0.028 0.000 1.227 368 C CB 0.953 28.671 27.740 -0.037 0.000 1.512 368 C HN 1.248 nan 8.230 nan 0.000 0.461 369 G N 0.341 109.176 108.800 0.059 0.000 2.598 369 G HA2 0.401 4.361 3.960 -0.000 0.000 0.244 369 G HA3 0.401 4.361 3.960 -0.000 0.000 0.244 369 G C 1.132 176.098 174.900 0.109 0.000 1.302 369 G CA 1.852 47.021 45.100 0.114 0.000 0.903 369 G HN 3.315 nan 8.290 nan 0.000 0.575 370 G N -2.227 106.687 108.800 0.189 0.000 2.218 370 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 370 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 370 G C 0.256 175.264 174.900 0.179 0.000 0.994 370 G CA 1.370 46.521 45.100 0.085 0.000 0.637 370 G HN 1.123 nan 8.290 nan 0.000 0.505 371 K N 0.684 121.230 120.400 0.244 0.000 2.207 371 K HA 0.632 4.952 4.320 -0.000 0.000 0.255 371 K C 0.241 176.984 176.600 0.238 0.000 0.941 371 K CA -0.871 55.542 56.287 0.211 0.000 0.825 371 K CB 2.946 35.517 32.500 0.119 0.000 1.119 371 K HN 0.033 nan 8.250 nan 0.000 0.430 372 V N 4.080 124.117 119.914 0.206 0.000 2.599 372 V HA -0.000 4.120 4.120 -0.000 0.000 0.300 372 V C 0.567 176.721 176.094 0.099 0.000 1.034 372 V CA 0.264 62.642 62.300 0.130 0.000 1.115 372 V CB 0.148 32.037 31.823 0.110 0.000 0.934 372 V HN 0.692 nan 8.190 nan 0.000 0.485 373 M N 3.593 123.251 119.600 0.096 0.000 2.211 373 M HA 0.190 4.670 4.480 -0.000 0.000 0.356 373 M C 0.151 176.489 176.300 0.063 0.000 1.216 373 M CA -0.227 55.122 55.300 0.081 0.000 1.134 373 M CB 0.348 33.007 32.600 0.098 0.000 1.564 373 M HN 0.590 nan 8.290 nan 0.000 0.463 374 D N 5.029 125.451 120.400 0.036 0.000 2.508 374 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 374 D C -0.611 175.693 176.300 0.007 0.000 1.171 374 D CA 0.083 54.099 54.000 0.025 0.000 1.006 374 D CB 0.178 40.990 40.800 0.019 0.000 1.073 374 D HN 0.577 nan 8.370 nan 0.000 0.513 375 R N 0.984 121.494 120.500 0.016 0.000 2.728 375 R HA 0.495 4.835 4.340 -0.000 0.000 0.274 375 R C -3.011 173.315 176.300 0.044 0.000 1.032 375 R CA -1.540 54.556 56.100 -0.006 0.000 0.866 375 R CB -0.429 29.815 30.300 -0.094 0.000 1.263 375 R HN -0.080 nan 8.270 nan 0.000 0.475 376 P HA 0.245 nan 4.420 nan 0.000 0.266 376 P C 0.097 177.523 177.300 0.210 0.000 1.193 376 P CA 1.567 64.721 63.100 0.089 0.000 0.770 376 P CB 0.414 32.158 31.700 0.073 0.000 0.836 377 G N 2.034 110.942 108.800 0.181 0.000 2.712 377 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.683 377 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.683 377 G C -0.444 174.523 174.900 0.112 0.000 1.320 377 G CA -0.790 44.424 45.100 0.190 0.000 0.847 377 G HN 0.547 nan 8.290 nan 0.000 0.553 378 N N 0.445 119.085 118.700 -0.101 0.000 3.052 378 N HA 0.232 4.972 4.740 -0.000 0.000 0.302 378 N C -0.572 174.813 175.510 -0.207 0.000 1.332 378 N CA 0.219 53.184 53.050 -0.142 0.000 1.129 378 N CB 0.005 38.377 38.487 -0.192 0.000 1.436 378 N HN 0.417 nan 8.380 nan 0.000 0.536 379 Y N 0.394 120.667 120.300 -0.045 0.000 2.336 379 Y HA 0.249 4.799 4.550 0.000 0.000 0.335 379 Y C 0.957 176.826 175.900 -0.051 0.000 1.046 379 Y CA -0.752 57.334 58.100 -0.023 0.000 1.198 379 Y CB 0.956 39.432 38.460 0.028 0.000 1.182 379 Y HN -0.019 nan 8.280 nan 0.000 0.502 380 V N 0.017 119.954 119.914 0.038 0.000 2.914 380 V HA 0.570 4.690 4.120 -0.000 0.000 0.314 380 V C -0.578 175.540 176.094 0.041 0.000 1.084 380 V CA -1.405 60.806 62.300 -0.148 0.000 0.963 380 V CB 1.969 33.266 31.823 -0.876 0.000 1.025 380 V HN 0.704 nan 8.190 nan 0.000 0.432 381 E N 3.265 123.505 120.200 0.066 0.000 2.360 381 E HA 0.327 4.677 4.350 -0.000 0.000 0.269 381 E C -2.533 174.161 176.600 0.157 0.000 1.022 381 E CA -1.635 54.826 56.400 0.103 0.000 0.887 381 E CB 0.834 30.616 29.700 0.136 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 -1.008 176.481 177.300 0.315 0.000 1.226 382 P CA 0.059 63.230 63.100 0.117 0.000 0.765 382 P CB 0.764 32.300 31.700 -0.274 0.000 0.835 383 T N 4.473 119.210 114.554 0.306 0.000 2.823 383 T HA 0.591 4.941 4.350 -0.000 0.000 0.279 383 T C 0.135 174.829 174.700 -0.009 0.000 0.998 383 T CA -0.341 61.843 62.100 0.140 0.000 0.994 383 T CB 0.616 69.541 68.868 0.095 0.000 0.960 383 T HN 0.174 nan 8.240 nan 0.000 0.448 384 I N 3.391 123.877 120.570 -0.139 0.000 2.433 384 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 384 I C -0.693 175.343 176.117 -0.135 0.000 1.001 384 I CA -0.826 60.342 61.300 -0.219 0.000 1.119 384 I CB 1.680 39.451 38.000 -0.382 0.000 1.289 384 I HN 0.438 nan 8.210 nan 0.000 0.438 385 I N 5.256 125.765 120.570 -0.101 0.000 2.447 385 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 385 I C 0.119 176.264 176.117 0.047 0.000 1.023 385 I CA -0.389 60.903 61.300 -0.014 0.000 1.083 385 I CB 2.201 40.225 38.000 0.039 0.000 1.245 385 I HN 0.578 nan 8.210 nan 0.000 0.434 386 T N 0.877 115.459 114.554 0.047 0.000 2.952 386 T HA 0.716 5.066 4.350 -0.000 0.000 0.286 386 T C 0.919 175.669 174.700 0.084 0.000 1.024 386 T CA 0.105 62.263 62.100 0.095 0.000 1.029 386 T CB 1.861 70.795 68.868 0.111 0.000 1.094 386 T HN 1.007 nan 8.240 nan 0.000 0.515 387 G N 0.243 109.096 108.800 0.088 0.000 2.234 387 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 387 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 387 G C 0.004 174.912 174.900 0.013 0.000 0.997 387 G CA -0.060 45.062 45.100 0.037 0.000 0.623 387 G HN 0.872 nan 8.290 nan 0.000 0.514 388 L N 1.585 122.823 121.223 0.026 0.000 2.461 388 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 388 L C 1.406 178.233 176.870 -0.072 0.000 1.197 388 L CA -0.042 54.784 54.840 -0.024 0.000 0.836 388 L CB 0.852 42.904 42.059 -0.012 0.000 1.105 388 L HN 0.424 nan 8.230 nan 0.000 0.477 389 A N 0.959 123.693 122.820 -0.143 0.000 2.445 389 A HA 0.074 4.394 4.320 -0.000 0.000 0.242 389 A C 1.074 178.455 177.584 -0.338 0.000 1.075 389 A CA 0.212 52.103 52.037 -0.245 0.000 0.777 389 A CB -0.039 18.780 19.000 -0.303 0.000 1.013 389 A HN 1.006 nan 8.150 nan 0.000 0.493 390 H N 0.380 119.153 119.070 -0.496 0.000 2.426 390 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 390 H C 0.474 175.611 175.328 -0.319 0.000 1.107 390 H CA 1.773 57.447 56.048 -0.625 0.000 1.298 390 H CB -0.123 28.658 29.762 -1.635 0.000 1.377 390 H HN 0.619 nan 8.280 nan 0.000 0.519 391 D N 0.553 120.452 120.400 -0.836 0.000 2.463 391 D HA 0.272 4.912 4.640 -0.000 0.000 0.224 391 D C 0.277 176.169 176.300 -0.679 0.000 1.174 391 D CA -0.015 53.520 54.000 -0.774 0.000 0.829 391 D CB -0.406 39.964 40.800 -0.716 0.000 0.993 391 D HN 0.640 nan 8.370 nan 0.000 0.497 392 A N 1.702 124.247 122.820 -0.458 0.000 2.524 392 A HA 0.269 4.589 4.320 -0.000 0.000 0.250 392 A C -1.150 176.235 177.584 -0.332 0.000 1.078 392 A CA -0.798 51.039 52.037 -0.334 0.000 0.761 392 A CB 0.394 19.248 19.000 -0.244 0.000 1.012 392 A HN 0.001 nan 8.150 nan 0.000 0.500 393 P HA -0.248 nan 4.420 nan 0.000 0.220 393 P C 1.438 178.654 177.300 -0.139 0.000 1.155 393 P CA 1.424 64.406 63.100 -0.196 0.000 0.880 393 P CB 0.050 31.670 31.700 -0.134 0.000 0.790 394 I N -1.030 119.439 120.570 -0.168 0.000 2.286 394 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 394 I C 1.904 177.800 176.117 -0.368 0.000 1.115 394 I CA 1.438 62.623 61.300 -0.191 0.000 1.392 394 I CB -0.610 37.294 38.000 -0.160 0.000 1.065 394 I HN -0.235 nan 8.210 nan 0.000 0.418 395 V N 0.122 119.767 119.914 -0.449 0.000 2.427 395 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 395 V C 2.270 178.318 176.094 -0.077 0.000 1.051 395 V CA 2.071 64.084 62.300 -0.479 0.000 1.048 395 V CB -1.141 30.516 31.823 -0.276 0.000 0.666 395 V HN 0.517 nan 8.190 nan 0.000 0.456 396 H N -0.570 118.396 119.070 -0.174 0.000 2.547 396 H HA 0.044 4.600 4.556 -0.000 0.000 0.272 396 H C 0.546 175.850 175.328 -0.041 0.000 0.989 396 H CA 0.365 56.363 56.048 -0.084 0.000 1.214 396 H CB 0.262 29.974 29.762 -0.083 0.000 1.389 396 H HN 0.399 nan 8.280 nan 0.000 0.577 397 T N 0.958 115.552 114.554 0.065 0.000 2.845 397 T HA 0.051 4.401 4.350 -0.000 0.000 0.288 397 T C 0.205 174.979 174.700 0.124 0.000 0.980 397 T CA -0.614 61.533 62.100 0.079 0.000 1.071 397 T CB 2.336 71.241 68.868 0.062 0.000 0.941 397 T HN 0.261 nan 8.240 nan 0.000 0.487 398 E N 2.583 122.875 120.200 0.153 0.000 2.129 398 E HA 0.156 4.506 4.350 -0.000 0.000 0.283 398 E C -0.750 176.000 176.600 0.250 0.000 1.080 398 E CA -0.341 56.191 56.400 0.220 0.000 0.867 398 E CB 0.313 30.147 29.700 0.223 0.000 1.056 398 E HN 0.511 nan 8.360 nan 0.000 0.404 399 T N 5.259 119.990 114.554 0.296 0.000 2.756 399 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 399 T C -0.197 174.729 174.700 0.375 0.000 0.985 399 T CA -0.523 61.762 62.100 0.308 0.000 0.955 399 T CB 0.266 69.300 68.868 0.277 0.000 0.930 399 T HN 0.326 nan 8.240 nan 0.000 0.451 400 F N 5.631 125.702 119.950 0.201 0.000 2.651 400 F HA 0.363 4.890 4.527 0.000 0.000 0.369 400 F C 0.384 176.313 175.800 0.215 0.000 1.187 400 F CA -0.773 57.353 58.000 0.210 0.000 1.335 400 F CB -0.823 38.318 39.000 0.236 0.000 1.707 400 F HN 0.387 nan 8.300 nan 0.000 0.637 401 V N -0.402 119.602 119.914 0.150 0.000 3.147 401 V HA 0.583 4.703 4.120 -0.000 0.000 0.306 401 V C -2.744 173.440 176.094 0.150 0.000 1.209 401 V CA -2.185 60.213 62.300 0.163 0.000 1.023 401 V CB 2.005 34.024 31.823 0.327 0.000 1.059 401 V HN 0.025 nan 8.190 nan 0.000 0.435 402 P HA 0.421 nan 4.420 nan 0.000 0.230 402 P C -0.542 176.896 177.300 0.229 0.000 1.791 402 P CA 0.297 63.519 63.100 0.203 0.000 1.020 402 P CB -0.504 31.366 31.700 0.283 0.000 1.977 403 I N 1.972 122.599 120.570 0.095 0.000 2.433 403 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 403 I C -0.153 175.791 176.117 -0.289 0.000 1.001 403 I CA -1.233 59.997 61.300 -0.116 0.000 1.119 403 I CB 2.316 40.151 38.000 -0.274 0.000 1.289 403 I HN -0.038 nan 8.210 nan 0.000 0.438 404 L N 7.680 128.731 121.223 -0.288 0.000 2.325 404 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 404 L C -1.379 175.313 176.870 -0.297 0.000 1.004 404 L CA -0.243 54.465 54.840 -0.220 0.000 0.823 404 L CB 0.737 42.772 42.059 -0.041 0.000 1.236 404 L HN 0.271 nan 8.230 nan 0.000 0.415 405 Y N 4.485 124.825 120.300 0.066 0.000 2.350 405 Y HA 0.508 5.058 4.550 0.000 0.000 0.340 405 Y C 0.148 176.088 175.900 0.067 0.000 1.006 405 Y CA -0.729 57.405 58.100 0.057 0.000 1.166 405 Y CB 1.198 39.697 38.460 0.066 0.000 1.168 405 Y HN 0.270 nan 8.280 nan 0.000 0.502 406 V N 5.900 125.925 119.914 0.185 0.000 2.370 406 V HA 0.304 4.424 4.120 -0.000 0.000 0.279 406 V C -0.379 175.854 176.094 0.232 0.000 1.029 406 V CA -0.653 61.743 62.300 0.160 0.000 0.870 406 V CB 0.953 32.813 31.823 0.062 0.000 0.984 406 V HN 0.460 nan 8.190 nan 0.000 0.451 407 L N 4.878 126.265 121.223 0.273 0.000 2.334 407 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 407 L C -0.036 177.088 176.870 0.423 0.000 1.013 407 L CA -0.361 54.670 54.840 0.320 0.000 0.816 407 L CB 1.633 43.904 42.059 0.353 0.000 1.278 407 L HN 0.547 nan 8.230 nan 0.000 0.431 408 K N 2.954 123.570 120.400 0.360 0.000 2.274 408 K HA 0.585 4.905 4.320 -0.000 0.000 0.262 408 K C -1.339 175.485 176.600 0.374 0.000 0.961 408 K CA -0.424 56.003 56.287 0.234 0.000 0.833 408 K CB 1.103 33.505 32.500 -0.163 0.000 1.102 408 K HN 0.473 nan 8.250 nan 0.000 0.436 409 F N 1.790 121.771 119.950 0.053 0.000 2.640 409 F HA 0.520 5.047 4.527 -0.000 0.000 0.324 409 F C 0.310 175.967 175.800 -0.238 0.000 1.077 409 F CA -0.883 57.049 58.000 -0.112 0.000 0.965 409 F CB 1.616 40.390 39.000 -0.378 0.000 1.351 409 F HN 0.459 nan 8.300 nan 0.000 0.487 410 K N -0.122 120.199 120.400 -0.132 0.000 2.363 410 K HA 0.174 4.494 4.320 -0.000 0.000 0.215 410 K C 0.146 176.839 176.600 0.155 0.000 1.179 410 K CA 0.834 57.005 56.287 -0.194 0.000 0.856 410 K CB 0.349 32.783 32.500 -0.110 0.000 1.371 410 K HN 0.898 nan 8.250 nan 0.000 0.455 411 T N -0.589 114.051 114.554 0.142 0.000 2.913 411 T HA 0.119 4.469 4.350 -0.000 0.000 0.287 411 T C 0.973 175.745 174.700 0.119 0.000 1.008 411 T CA -0.506 61.665 62.100 0.119 0.000 1.067 411 T CB 1.800 70.669 68.868 0.002 0.000 0.996 411 T HN 0.339 nan 8.240 nan 0.000 0.513 412 E N 0.810 121.059 120.200 0.081 0.000 2.085 412 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 412 E C 1.862 178.200 176.600 -0.438 0.000 0.994 412 E CA 1.499 57.828 56.400 -0.120 0.000 0.801 412 E CB -0.096 29.433 29.700 -0.285 0.000 0.743 412 E HN 0.900 nan 8.360 nan 0.000 0.453 413 E N 0.375 120.406 120.200 -0.281 0.000 2.070 413 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 413 E C 2.002 178.466 176.600 -0.227 0.000 1.004 413 E CA 1.584 57.863 56.400 -0.202 0.000 0.805 413 E CB -0.010 29.629 29.700 -0.102 0.000 0.744 413 E HN 0.351 nan 8.360 nan 0.000 0.451 414 E N -0.203 119.789 120.200 -0.347 0.000 2.033 414 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 414 E C 2.037 178.006 176.600 -1.052 0.000 1.011 414 E CA 1.168 57.137 56.400 -0.717 0.000 0.815 414 E CB -0.201 29.018 29.700 -0.801 0.000 0.755 414 E HN 0.362 nan 8.360 nan 0.000 0.451 415 A N 0.844 123.122 122.820 -0.904 0.000 1.883 415 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 415 A C 1.957 179.466 177.584 -0.124 0.000 1.186 415 A CA 1.374 52.920 52.037 -0.819 0.000 0.624 415 A CB -0.798 17.416 19.000 -1.309 0.000 0.822 415 A HN 0.195 nan 8.150 nan 0.000 0.444 416 F N 0.182 120.017 119.950 -0.191 0.000 2.095 416 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 416 F C 2.909 178.741 175.800 0.053 0.000 1.104 416 F CA 0.498 58.541 58.000 0.070 0.000 1.232 416 F CB -1.322 37.758 39.000 0.133 0.000 0.987 416 F HN 0.289 nan 8.300 nan 0.000 0.475 417 A N -0.489 122.432 122.820 0.169 0.000 1.908 417 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 417 A C 2.082 179.825 177.584 0.266 0.000 1.181 417 A CA 1.601 53.733 52.037 0.157 0.000 0.627 417 A CB -1.289 17.772 19.000 0.103 0.000 0.818 417 A HN 0.451 nan 8.150 nan 0.000 0.445 418 W N 0.045 121.359 121.300 0.024 0.000 2.388 418 W HA -0.092 4.568 4.660 -0.000 0.000 0.294 418 W C 2.070 178.617 176.519 0.046 0.000 1.212 418 W CA 0.655 58.015 57.345 0.025 0.000 1.271 418 W CB -1.480 27.965 29.460 -0.024 0.000 1.126 418 W HN 0.581 nan 8.180 nan 0.000 0.535 419 N N 0.771 119.646 118.700 0.291 0.000 2.094 419 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 419 N C 1.287 176.874 175.510 0.127 0.000 1.023 419 N CA 2.015 55.192 53.050 0.211 0.000 0.857 419 N CB -0.406 38.245 38.487 0.272 0.000 1.013 419 N HN -0.097 nan 8.380 nan 0.000 0.426 420 N N 0.154 118.927 118.700 0.122 0.000 2.416 420 N HA -0.081 4.659 4.740 -0.000 0.000 0.177 420 N C 1.102 176.636 175.510 0.039 0.000 1.036 420 N CA 0.706 53.789 53.050 0.056 0.000 0.901 420 N CB -0.227 38.292 38.487 0.053 0.000 0.976 420 N HN 0.683 nan 8.380 nan 0.000 0.444 421 E N 0.817 121.062 120.200 0.075 0.000 2.268 421 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 421 E C 0.829 177.386 176.600 -0.072 0.000 0.995 421 E CA 0.310 56.749 56.400 0.065 0.000 0.836 421 E CB -0.159 29.657 29.700 0.193 0.000 0.763 421 E HN 0.124 nan 8.360 nan 0.000 0.491 422 V N -1.016 118.776 119.914 -0.204 0.000 3.264 422 V HA 0.033 4.153 4.120 -0.000 0.000 0.304 422 V C 1.061 177.044 176.094 -0.184 0.000 1.086 422 V CA -0.392 61.717 62.300 -0.319 0.000 1.090 422 V CB 1.444 33.060 31.823 -0.345 0.000 1.112 422 V HN 0.085 nan 8.190 nan 0.000 0.472 423 Q N -0.192 119.472 119.800 -0.226 0.000 2.331 423 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 423 Q C 0.442 176.329 176.000 -0.189 0.000 0.944 423 Q CA 0.523 56.109 55.803 -0.360 0.000 0.892 423 Q CB 0.096 28.360 28.738 -0.791 0.000 0.983 423 Q HN 0.850 nan 8.270 nan 0.000 0.482 424 Q N -0.709 119.045 119.800 -0.077 0.000 2.443 424 Q HA 0.370 4.710 4.340 -0.000 0.000 0.232 424 Q C 0.385 176.383 176.000 -0.002 0.000 1.026 424 Q CA 0.668 56.481 55.803 0.018 0.000 0.924 424 Q CB 0.760 29.523 28.738 0.043 0.000 1.256 424 Q HN 0.249 nan 8.270 nan 0.000 0.519 425 G N 0.004 108.806 108.800 0.004 0.000 5.482 425 G HA2 0.158 4.118 3.960 -0.000 0.000 0.208 425 G HA3 0.158 4.118 3.960 -0.000 0.000 0.208 425 G C -0.362 174.501 174.900 -0.061 0.000 0.756 425 G CA -0.237 44.844 45.100 -0.031 0.000 0.682 425 G HN 0.418 nan 8.290 nan 0.000 0.405 426 L N 0.457 121.653 121.223 -0.044 0.000 1.995 426 L HA 0.551 4.891 4.340 -0.000 0.000 0.206 426 L C 1.121 177.926 176.870 -0.108 0.000 1.098 426 L CA 1.603 56.384 54.840 -0.099 0.000 0.762 426 L CB -0.215 41.814 42.059 -0.050 0.000 0.900 426 L HN 0.170 nan 8.230 nan 0.000 0.441 427 S N -1.439 114.246 115.700 -0.026 0.000 2.600 427 S HA 0.770 5.240 4.470 -0.000 0.000 0.300 427 S C -0.913 173.734 174.600 0.078 0.000 1.087 427 S CA -0.063 58.143 58.200 0.010 0.000 0.965 427 S CB 1.059 64.295 63.200 0.061 0.000 1.089 427 S HN 0.661 nan 8.310 nan 0.000 0.496 428 S N 1.490 117.264 115.700 0.123 0.000 2.543 428 S HA 0.743 5.213 4.470 -0.000 0.000 0.274 428 S C -1.356 173.481 174.600 0.395 0.000 1.149 428 S CA -0.736 57.628 58.200 0.272 0.000 0.866 428 S CB 1.364 64.738 63.200 0.289 0.000 1.111 428 S HN 0.569 nan 8.310 nan 0.000 0.457 429 S N 1.292 117.228 115.700 0.394 0.000 2.540 429 S HA 0.743 5.213 4.470 -0.000 0.000 0.275 429 S C -0.652 173.935 174.600 -0.022 0.000 1.123 429 S CA -0.881 57.468 58.200 0.248 0.000 0.907 429 S CB 1.117 64.454 63.200 0.228 0.000 1.081 429 S HN 1.046 nan 8.310 nan 0.000 0.476 430 I N -0.959 119.411 120.570 -0.333 0.000 2.530 430 I HA 0.757 4.927 4.170 -0.000 0.000 0.297 430 I C -1.593 174.434 176.117 -0.150 0.000 1.011 430 I CA -0.840 60.271 61.300 -0.315 0.000 1.107 430 I CB 1.245 38.818 38.000 -0.711 0.000 1.285 430 I HN 0.390 nan 8.210 nan 0.000 0.436 431 F N 3.333 123.309 119.950 0.044 0.000 2.402 431 F HA 0.727 5.253 4.527 -0.000 0.000 0.355 431 F C 0.419 176.297 175.800 0.130 0.000 1.123 431 F CA -0.307 57.736 58.000 0.073 0.000 1.021 431 F CB 1.894 40.941 39.000 0.078 0.000 1.160 431 F HN 0.689 nan 8.300 nan 0.000 0.451 432 T N 2.009 116.646 114.554 0.139 0.000 2.786 432 T HA 0.303 4.653 4.350 -0.000 0.000 0.316 432 T C -0.035 174.673 174.700 0.012 0.000 1.503 432 T CA -0.643 61.497 62.100 0.067 0.000 1.019 432 T CB 1.629 70.432 68.868 -0.109 0.000 1.415 432 T HN 0.641 nan 8.240 nan 0.000 0.496 433 K N 0.563 120.964 120.400 0.003 0.000 2.374 433 K HA 0.200 4.520 4.320 -0.000 0.000 0.202 433 K C -0.088 176.503 176.600 -0.015 0.000 1.040 433 K CA -0.231 56.056 56.287 0.002 0.000 1.085 433 K CB 0.485 32.996 32.500 0.019 0.000 0.873 433 K HN 0.447 nan 8.250 nan 0.000 0.539 434 D N 1.647 122.017 120.400 -0.050 0.000 2.336 434 D HA -0.029 4.611 4.640 -0.000 0.000 0.249 434 D C 1.019 177.313 176.300 -0.011 0.000 1.213 434 D CA -0.118 53.852 54.000 -0.050 0.000 0.870 434 D CB 1.173 41.907 40.800 -0.111 0.000 1.076 434 D HN -0.047 nan 8.370 nan 0.000 0.483 435 L N 5.515 126.761 121.223 0.038 0.000 1.990 435 L HA -0.096 4.244 4.340 -0.000 0.000 0.213 435 L C 2.205 179.191 176.870 0.194 0.000 1.072 435 L CA 2.587 57.500 54.840 0.123 0.000 0.755 435 L CB -0.802 41.325 42.059 0.113 0.000 0.889 435 L HN 0.594 nan 8.230 nan 0.000 0.432 436 G N -1.278 107.588 108.800 0.111 0.000 2.422 436 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 436 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 436 G C 1.804 176.780 174.900 0.126 0.000 1.146 436 G CA 0.779 45.950 45.100 0.118 0.000 0.769 436 G HN 0.431 nan 8.290 nan 0.000 0.547 437 R N -0.133 120.388 120.500 0.035 0.000 2.081 437 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 437 R C 2.655 179.020 176.300 0.108 0.000 1.131 437 R CA 1.304 57.405 56.100 0.001 0.000 0.960 437 R CB -0.391 29.766 30.300 -0.238 0.000 0.856 437 R HN 0.232 nan 8.270 nan 0.000 0.436 438 V N 0.614 120.556 119.914 0.047 0.000 2.252 438 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 438 V C 2.016 178.098 176.094 -0.020 0.000 1.056 438 V CA 2.079 64.368 62.300 -0.019 0.000 1.022 438 V CB -0.565 31.159 31.823 -0.165 0.000 0.641 438 V HN 0.282 nan 8.190 nan 0.000 0.445 439 F N -0.270 119.734 119.950 0.091 0.000 2.325 439 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 439 F C 2.530 178.384 175.800 0.090 0.000 1.090 439 F CA 1.035 59.077 58.000 0.070 0.000 1.392 439 F CB -0.367 38.655 39.000 0.036 0.000 1.053 439 F HN -0.038 nan 8.300 nan 0.000 0.521 440 R N -0.457 120.219 120.500 0.294 0.000 2.075 440 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 440 R C 2.267 178.745 176.300 0.295 0.000 1.126 440 R CA 1.567 57.837 56.100 0.283 0.000 0.963 440 R CB -0.899 29.586 30.300 0.308 0.000 0.858 440 R HN 0.497 nan 8.270 nan 0.000 0.435 441 W N 1.059 122.399 121.300 0.067 0.000 2.342 441 W HA -0.216 4.444 4.660 0.000 0.000 0.297 441 W C 1.051 177.444 176.519 -0.209 0.000 1.213 441 W CA 0.871 58.075 57.345 -0.234 0.000 1.251 441 W CB 0.091 29.429 29.460 -0.203 0.000 1.136 441 W HN 0.083 nan 8.180 nan 0.000 0.526 442 L N 0.669 121.815 121.223 -0.128 0.000 2.240 442 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 442 L C 2.014 178.793 176.870 -0.151 0.000 1.106 442 L CA 1.502 56.204 54.840 -0.230 0.000 0.793 442 L CB -1.459 40.510 42.059 -0.150 0.000 0.927 442 L HN -0.146 nan 8.230 nan 0.000 0.446 443 G N -0.701 108.074 108.800 -0.042 0.000 2.516 443 G HA2 0.219 4.179 3.960 -0.000 0.000 0.276 443 G HA3 0.219 4.179 3.960 -0.000 0.000 0.276 443 G C -1.522 173.347 174.900 -0.053 0.000 1.390 443 G CA -0.175 44.919 45.100 -0.010 0.000 1.050 443 G HN 0.122 nan 8.290 nan 0.000 0.519 444 P HA 0.016 nan 4.420 nan 0.000 0.223 444 P C 0.662 177.955 177.300 -0.012 0.000 1.151 444 P CA 0.993 64.077 63.100 -0.026 0.000 0.787 444 P CB 0.329 32.026 31.700 -0.005 0.000 0.788 445 K N -0.124 120.294 120.400 0.029 0.000 2.498 445 K HA 0.331 4.651 4.320 -0.000 0.000 0.207 445 K C 1.179 177.858 176.600 0.131 0.000 1.033 445 K CA -0.046 56.289 56.287 0.080 0.000 1.138 445 K CB 0.858 33.427 32.500 0.115 0.000 0.860 445 K HN 0.106 nan 8.250 nan 0.000 0.490 446 G N 0.627 109.410 108.800 -0.029 0.000 2.945 446 G HA2 0.079 4.039 3.960 -0.000 0.000 0.156 446 G HA3 0.079 4.039 3.960 -0.000 0.000 0.156 446 G C -0.413 174.208 174.900 -0.465 0.000 1.375 446 G CA -0.302 44.640 45.100 -0.262 0.000 1.039 446 G HN 0.124 nan 8.290 nan 0.000 0.586 447 S N 0.073 115.182 115.700 -0.986 0.000 2.572 447 S HA 0.171 4.641 4.470 -0.000 0.000 0.279 447 S C 0.594 174.889 174.600 -0.509 0.000 1.341 447 S CA 0.403 58.037 58.200 -0.944 0.000 1.043 447 S CB 0.729 62.911 63.200 -1.697 0.000 0.887 447 S HN 0.564 nan 8.310 nan 0.000 0.516 448 D N 2.173 122.386 120.400 -0.312 0.000 2.424 448 D HA 0.179 4.819 4.640 -0.000 0.000 0.220 448 D C 0.236 176.425 176.300 -0.185 0.000 1.150 448 D CA -0.311 53.567 54.000 -0.203 0.000 0.831 448 D CB -0.870 39.861 40.800 -0.115 0.000 0.981 448 D HN 0.272 nan 8.370 nan 0.000 0.500 449 C N -0.360 118.799 119.300 -0.235 0.000 2.403 449 C HA 0.681 5.141 4.460 -0.000 0.000 0.361 449 C C 2.253 177.121 174.990 -0.203 0.000 1.274 449 C CA -0.144 58.762 59.018 -0.186 0.000 2.433 449 C CB 1.107 28.749 27.740 -0.163 0.000 2.323 449 C HN 0.474 nan 8.230 nan 0.000 0.614 450 G N 0.513 109.196 108.800 -0.194 0.000 2.430 450 G HA2 0.083 4.043 3.960 -0.000 0.000 0.216 450 G HA3 0.083 4.043 3.960 -0.000 0.000 0.216 450 G C 0.422 175.186 174.900 -0.226 0.000 1.146 450 G CA 0.798 45.766 45.100 -0.219 0.000 0.793 450 G HN 0.585 nan 8.290 nan 0.000 0.537 451 I N 1.453 121.897 120.570 -0.210 0.000 2.389 451 I HA 0.392 4.562 4.170 -0.000 0.000 0.288 451 I C -0.917 175.123 176.117 -0.128 0.000 0.999 451 I CA -1.108 60.098 61.300 -0.156 0.000 1.129 451 I CB 1.529 39.457 38.000 -0.120 0.000 1.288 451 I HN -0.266 nan 8.210 nan 0.000 0.444 452 V N 6.664 126.492 119.914 -0.144 0.000 2.340 452 V HA 0.392 4.512 4.120 -0.000 0.000 0.277 452 V C -0.148 175.941 176.094 -0.009 0.000 1.017 452 V CA -0.638 61.547 62.300 -0.191 0.000 0.820 452 V CB 1.228 32.762 31.823 -0.482 0.000 1.028 452 V HN 0.639 nan 8.190 nan 0.000 0.436 453 N N 2.453 121.261 118.700 0.179 0.000 2.443 453 N HA 0.730 5.470 4.740 -0.000 0.000 0.293 453 N C -0.827 174.771 175.510 0.146 0.000 1.159 453 N CA -0.416 52.707 53.050 0.121 0.000 0.904 453 N CB 2.555 41.081 38.487 0.065 0.000 1.214 453 N HN 0.314 nan 8.380 nan 0.000 0.513 454 V N 2.400 122.288 119.914 -0.042 0.000 2.525 454 V HA 0.298 4.418 4.120 -0.000 0.000 0.299 454 V C -0.042 175.838 176.094 -0.357 0.000 1.034 454 V CA -0.764 61.425 62.300 -0.184 0.000 0.863 454 V CB 1.187 32.944 31.823 -0.110 0.000 0.999 454 V HN 0.703 nan 8.190 nan 0.000 0.423 455 N N 2.238 120.483 118.700 -0.759 0.000 2.753 455 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 455 N C -0.489 174.645 175.510 -0.627 0.000 1.097 455 N CA 1.482 53.957 53.050 -0.957 0.000 0.786 455 N CB -0.638 37.661 38.487 -0.315 0.000 1.137 455 N HN 0.758 nan 8.380 nan 0.000 0.566 456 I N -0.699 119.568 120.570 -0.504 0.000 2.647 456 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 456 I C -2.340 173.814 176.117 0.062 0.000 1.078 456 I CA -2.062 59.195 61.300 -0.072 0.000 1.048 456 I CB 2.459 40.455 38.000 -0.007 0.000 1.239 456 I HN -0.281 nan 8.210 nan 0.000 0.421 457 P HA 0.121 nan 4.420 nan 0.000 0.285 457 P C 0.414 177.852 177.300 0.230 0.000 1.282 457 P CA 0.067 63.375 63.100 0.346 0.000 0.778 457 P CB 0.195 32.081 31.700 0.311 0.000 1.222 458 T N -4.628 110.063 114.554 0.228 0.000 3.085 458 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 458 T C 1.163 175.974 174.700 0.185 0.000 1.127 458 T CA 1.029 63.245 62.100 0.193 0.000 1.103 458 T CB -1.039 67.945 68.868 0.193 0.000 0.921 458 T HN 0.374 nan 8.240 nan 0.000 0.510 459 S N 0.418 116.233 115.700 0.191 0.000 2.540 459 S HA 0.391 4.861 4.470 -0.000 0.000 0.218 459 S C 1.234 175.933 174.600 0.166 0.000 0.977 459 S CA -0.431 57.884 58.200 0.192 0.000 0.918 459 S CB 0.014 63.331 63.200 0.195 0.000 0.806 459 S HN 0.615 nan 8.310 nan 0.000 0.496 460 G N 1.415 110.304 108.800 0.148 0.000 2.428 460 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 460 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 460 G C -0.296 174.666 174.900 0.104 0.000 1.059 460 G CA 0.039 45.207 45.100 0.114 0.000 1.194 460 G HN 0.708 nan 8.290 nan 0.000 0.435 461 A N 3.248 126.128 122.820 0.100 0.000 2.540 461 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 461 A C -0.417 177.193 177.584 0.044 0.000 1.056 461 A CA -0.882 51.212 52.037 0.094 0.000 0.700 461 A CB 1.458 20.584 19.000 0.209 0.000 1.280 461 A HN 0.764 nan 8.150 nan 0.000 0.398 462 E N 1.825 122.027 120.200 0.004 0.000 2.320 462 E HA 0.626 4.976 4.350 -0.000 0.000 0.264 462 E C -0.030 176.509 176.600 -0.103 0.000 0.923 462 E CA -0.939 55.446 56.400 -0.025 0.000 0.796 462 E CB 1.347 31.034 29.700 -0.021 0.000 1.262 462 E HN 0.331 nan 8.360 nan 0.000 0.428 463 I N 1.349 121.850 120.570 -0.116 0.000 2.194 463 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 463 I C 2.277 178.120 176.117 -0.457 0.000 1.093 463 I CA 2.234 63.380 61.300 -0.257 0.000 1.355 463 I CB -0.449 37.434 38.000 -0.195 0.000 1.046 463 I HN 0.895 nan 8.210 nan 0.000 0.413 464 G N -0.023 108.567 108.800 -0.349 0.000 2.462 464 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 464 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 464 G C 0.908 175.698 174.900 -0.184 0.000 1.121 464 G CA 0.766 45.682 45.100 -0.306 0.000 0.758 464 G HN 0.499 nan 8.290 nan 0.000 0.559 465 G N -0.889 107.818 108.800 -0.154 0.000 2.434 465 G HA2 0.605 4.565 3.960 -0.000 0.000 0.330 465 G HA3 0.605 4.565 3.960 -0.000 0.000 0.330 465 G C -0.137 174.692 174.900 -0.118 0.000 1.155 465 G CA 0.036 45.077 45.100 -0.100 0.000 0.917 465 G HN 0.492 nan 8.290 nan 0.000 0.493 466 A N 0.257 123.023 122.820 -0.090 0.000 2.477 466 A HA 0.500 4.820 4.320 -0.000 0.000 0.246 466 A C -0.828 176.699 177.584 -0.096 0.000 1.078 466 A CA -0.107 51.872 52.037 -0.097 0.000 0.770 466 A CB 0.066 19.010 19.000 -0.093 0.000 1.011 466 A HN 0.790 nan 8.150 nan 0.000 0.494 467 F N 2.450 122.225 119.950 -0.292 0.000 2.444 467 F HA 0.646 5.173 4.527 -0.000 0.000 0.342 467 F C 0.459 176.119 175.800 -0.233 0.000 1.121 467 F CA 0.860 58.671 58.000 -0.315 0.000 0.997 467 F CB 1.448 40.120 39.000 -0.546 0.000 1.130 467 F HN 1.033 nan 8.300 nan 0.000 0.454 468 G N 2.695 110.980 108.800 -0.857 0.000 2.337 468 G HA2 0.443 4.403 3.960 -0.000 0.000 0.298 468 G HA3 0.443 4.403 3.960 -0.000 0.000 0.298 468 G C -1.502 173.129 174.900 -0.448 0.000 1.335 468 G CA -0.249 44.505 45.100 -0.577 0.000 0.875 468 G HN 1.071 nan 8.290 nan 0.000 0.579 469 G N -1.459 107.178 108.800 -0.273 0.000 3.042 469 G HA2 0.746 4.706 3.960 -0.000 0.000 0.278 469 G HA3 0.746 4.706 3.960 -0.000 0.000 0.278 469 G C -1.096 173.731 174.900 -0.122 0.000 1.371 469 G CA -0.364 44.620 45.100 -0.192 0.000 1.009 469 G HN 0.555 nan 8.290 nan 0.000 0.523 470 E N -0.512 119.634 120.200 -0.090 0.000 2.412 470 E HA 0.417 4.767 4.350 -0.000 0.000 0.255 470 E C 0.185 176.777 176.600 -0.013 0.000 0.933 470 E CA -0.672 55.692 56.400 -0.060 0.000 0.823 470 E CB 1.529 31.184 29.700 -0.074 0.000 1.352 470 E HN 0.615 nan 8.360 nan 0.000 0.406 471 K N -0.267 120.139 120.400 0.009 0.000 1.824 471 K HA -0.302 4.018 4.320 -0.000 0.000 0.120 471 K C 1.262 177.947 176.600 0.140 0.000 1.268 471 K CA 1.807 58.142 56.287 0.081 0.000 0.420 471 K CB -1.111 31.429 32.500 0.066 0.000 0.586 471 K HN 0.485 nan 8.250 nan 0.000 0.907 472 H N 0.666 119.728 119.070 -0.015 0.000 2.559 472 H HA 0.029 4.585 4.556 -0.000 0.000 0.273 472 H C 1.608 176.938 175.328 0.003 0.000 1.000 472 H CA 1.594 57.640 56.048 -0.003 0.000 1.195 472 H CB -0.167 29.601 29.762 0.011 0.000 1.368 472 H HN 0.399 nan 8.280 nan 0.000 0.592 473 T N -1.828 112.782 114.554 0.094 0.000 3.055 473 T HA 0.114 4.464 4.350 -0.000 0.000 0.265 473 T C 1.814 176.525 174.700 0.018 0.000 1.111 473 T CA 0.992 63.119 62.100 0.046 0.000 1.118 473 T CB 0.048 68.916 68.868 0.001 0.000 0.909 473 T HN 0.634 nan 8.240 nan 0.000 0.501 474 G N 0.099 108.897 108.800 -0.003 0.000 2.231 474 G HA2 0.027 3.987 3.960 -0.000 0.000 0.206 474 G HA3 0.027 3.987 3.960 -0.000 0.000 0.206 474 G C 1.050 175.930 174.900 -0.034 0.000 0.996 474 G CA 0.230 45.317 45.100 -0.021 0.000 0.645 474 G HN 1.168 nan 8.290 nan 0.000 0.498 475 G N -0.629 108.144 108.800 -0.045 0.000 2.268 475 G HA2 0.168 4.128 3.960 -0.000 0.000 0.240 475 G HA3 0.168 4.128 3.960 -0.000 0.000 0.240 475 G C 1.645 176.504 174.900 -0.068 0.000 1.010 475 G CA 1.107 46.172 45.100 -0.059 0.000 0.618 475 G HN 2.166 nan 8.290 nan 0.000 0.516 476 G N 0.128 108.896 108.800 -0.053 0.000 2.614 476 G HA2 0.477 4.437 3.960 -0.000 0.000 0.239 476 G HA3 0.477 4.437 3.960 -0.000 0.000 0.239 476 G C -0.009 174.850 174.900 -0.069 0.000 1.240 476 G CA 0.028 45.096 45.100 -0.054 0.000 0.842 476 G HN 0.443 nan 8.290 nan 0.000 0.584 477 R N 0.451 120.913 120.500 -0.063 0.000 2.686 477 R HA 0.432 4.772 4.340 -0.000 0.000 0.283 477 R C -0.650 175.648 176.300 -0.003 0.000 0.978 477 R CA -0.640 55.424 56.100 -0.060 0.000 0.897 477 R CB 2.348 32.597 30.300 -0.085 0.000 1.192 477 R HN 0.724 nan 8.270 nan 0.000 0.457 478 E N 0.160 120.349 120.200 -0.020 0.000 2.312 478 E HA 0.389 4.739 4.350 -0.000 0.000 0.267 478 E C -0.160 176.303 176.600 -0.227 0.000 0.894 478 E CA -0.607 55.756 56.400 -0.061 0.000 0.773 478 E CB 2.342 31.971 29.700 -0.119 0.000 1.241 478 E HN 0.640 nan 8.360 nan 0.000 0.432 479 S N 0.597 116.183 115.700 -0.190 0.000 4.158 479 S HA -0.211 4.259 4.470 -0.000 0.000 0.578 479 S C 0.887 175.454 174.600 -0.056 0.000 1.866 479 S CA 1.225 59.285 58.200 -0.233 0.000 4.250 479 S CB -1.686 61.132 63.200 -0.637 0.000 0.204 479 S HN 0.846 nan 8.310 nan 0.000 0.455 480 G N 0.523 109.224 108.800 -0.166 0.000 2.535 480 G HA2 0.526 4.486 3.960 -0.000 0.000 0.282 480 G HA3 0.526 4.486 3.960 -0.000 0.000 0.282 480 G C 0.545 175.487 174.900 0.070 0.000 1.350 480 G CA 0.987 46.038 45.100 -0.082 0.000 1.039 480 G HN 1.914 nan 8.290 nan 0.000 0.509 481 S N -0.881 114.889 115.700 0.117 0.000 3.736 481 S HA -0.315 4.155 4.470 -0.000 0.000 0.627 481 S C 0.936 175.608 174.600 0.121 0.000 2.426 481 S CA 2.097 60.353 58.200 0.094 0.000 4.022 481 S CB -1.373 61.827 63.200 0.000 0.000 0.237 481 S HN 1.336 nan 8.310 nan 0.000 0.967 482 D N 0.686 121.062 120.400 -0.041 0.000 2.706 482 D HA 0.417 5.057 4.640 -0.000 0.000 0.236 482 D C 1.135 177.149 176.300 -0.475 0.000 1.231 482 D CA 0.632 54.446 54.000 -0.309 0.000 0.828 482 D CB -0.257 40.288 40.800 -0.424 0.000 1.015 482 D HN 0.250 nan 8.370 nan 0.000 0.484 483 S N 0.417 116.032 115.700 -0.142 0.000 2.400 483 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 483 S C 1.568 176.189 174.600 0.035 0.000 1.025 483 S CA 1.125 59.296 58.200 -0.048 0.000 0.993 483 S CB -0.571 62.675 63.200 0.075 0.000 0.808 483 S HN 0.729 nan 8.310 nan 0.000 0.478 484 W N 2.265 123.618 121.300 0.089 0.000 2.331 484 W HA -0.134 4.526 4.660 -0.000 0.000 0.291 484 W C 1.141 177.730 176.519 0.117 0.000 1.214 484 W CA 0.915 58.333 57.345 0.122 0.000 1.228 484 W CB -0.862 28.564 29.460 -0.058 0.000 1.135 484 W HN 0.272 nan 8.180 nan 0.000 0.537 485 K N 0.986 120.884 120.400 -0.836 0.000 2.211 485 K HA -0.205 4.115 4.320 -0.000 0.000 0.204 485 K C 2.152 178.681 176.600 -0.119 0.000 1.047 485 K CA 2.052 57.817 56.287 -0.870 0.000 0.935 485 K CB -0.334 31.408 32.500 -1.263 0.000 0.728 485 K HN 0.328 nan 8.250 nan 0.000 0.452 486 Q N -0.726 119.023 119.800 -0.085 0.000 2.369 486 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 486 Q C 0.660 176.583 176.000 -0.128 0.000 0.963 486 Q CA 1.047 56.774 55.803 -0.127 0.000 0.894 486 Q CB 0.133 28.698 28.738 -0.287 0.000 0.965 486 Q HN 0.437 nan 8.270 nan 0.000 0.475 487 Y N -0.817 119.560 120.300 0.128 0.000 2.468 487 Y HA 0.271 4.821 4.550 0.000 0.000 0.268 487 Y C 0.464 176.513 175.900 0.249 0.000 1.177 487 Y CA 0.015 58.222 58.100 0.178 0.000 1.265 487 Y CB 0.420 38.992 38.460 0.187 0.000 1.103 487 Y HN -0.002 nan 8.280 nan 0.000 0.522 488 M N 0.059 119.915 119.600 0.426 0.000 2.618 488 M HA 0.440 4.920 4.480 -0.000 0.000 0.281 488 M C -0.871 175.716 176.300 0.478 0.000 1.267 488 M CA -1.014 54.589 55.300 0.505 0.000 0.845 488 M CB 3.077 36.109 32.600 0.721 0.000 1.732 488 M HN -0.051 nan 8.290 nan 0.000 0.461 489 R N 0.911 121.622 120.500 0.352 0.000 2.393 489 R HA 0.640 4.980 4.340 -0.000 0.000 0.310 489 R C -0.807 175.401 176.300 -0.153 0.000 0.968 489 R CA -0.886 55.288 56.100 0.123 0.000 0.867 489 R CB 1.952 32.285 30.300 0.055 0.000 1.124 489 R HN 0.664 nan 8.270 nan 0.000 0.450 490 R N 2.073 122.227 120.500 -0.577 0.000 2.390 490 R HA 0.168 4.508 4.340 -0.000 0.000 0.291 490 R C -0.973 175.012 176.300 -0.525 0.000 1.070 490 R CA -0.142 55.282 56.100 -1.127 0.000 1.014 490 R CB 1.030 30.581 30.300 -1.248 0.000 1.007 490 R HN 0.947 nan 8.270 nan 0.000 0.466 491 S N 1.771 117.196 115.700 -0.458 0.000 2.594 491 S HA 0.271 4.741 4.470 -0.000 0.000 0.296 491 S C -0.785 173.697 174.600 -0.197 0.000 1.124 491 S CA -0.838 57.217 58.200 -0.241 0.000 1.011 491 S CB 1.987 65.102 63.200 -0.141 0.000 1.016 491 S HN 0.505 nan 8.310 nan 0.000 0.485 492 T N 3.213 117.685 114.554 -0.137 0.000 2.723 492 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 492 T C -0.279 174.393 174.700 -0.046 0.000 0.925 492 T CA -0.352 61.698 62.100 -0.082 0.000 1.030 492 T CB -0.623 68.207 68.868 -0.064 0.000 0.905 492 T HN 0.804 nan 8.240 nan 0.000 0.502 493 C N 4.014 123.299 119.300 -0.026 0.000 2.298 493 C HA 0.602 5.062 4.460 -0.000 0.000 0.323 493 C C 0.829 175.832 174.990 0.022 0.000 1.284 493 C CA -0.970 58.045 59.018 -0.005 0.000 1.577 493 C CB 0.208 27.945 27.740 -0.005 0.000 2.249 493 C HN 0.783 nan 8.230 nan 0.000 0.497 494 T N 4.374 118.948 114.554 0.033 0.000 2.758 494 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 494 T C -0.241 174.498 174.700 0.065 0.000 0.981 494 T CA -0.032 62.111 62.100 0.070 0.000 0.965 494 T CB 0.407 69.329 68.868 0.089 0.000 0.927 494 T HN 0.475 nan 8.240 nan 0.000 0.448 495 I N 3.793 124.409 120.570 0.076 0.000 2.354 495 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 495 I C 0.125 176.219 176.117 -0.038 0.000 1.007 495 I CA -0.937 60.391 61.300 0.046 0.000 1.167 495 I CB 1.113 39.159 38.000 0.077 0.000 1.320 495 I HN 0.451 nan 8.210 nan 0.000 0.458 496 N N 6.013 124.580 118.700 -0.221 0.000 2.408 496 N HA 0.095 4.835 4.740 -0.000 0.000 0.257 496 N C -0.035 175.298 175.510 -0.294 0.000 1.064 496 N CA -0.212 52.464 53.050 -0.622 0.000 0.952 496 N CB 0.455 38.580 38.487 -0.603 0.000 1.093 496 N HN 0.529 nan 8.380 nan 0.000 0.490 497 Y N 1.198 121.340 120.300 -0.264 0.000 2.500 497 Y HA 0.420 4.970 4.550 0.000 0.000 0.246 497 Y C 0.541 176.376 175.900 -0.109 0.000 1.146 497 Y CA -0.855 57.161 58.100 -0.140 0.000 1.230 497 Y CB -0.723 37.681 38.460 -0.093 0.000 1.214 497 Y HN 0.333 nan 8.280 nan 0.000 0.526 498 S N 0.601 116.053 115.700 -0.413 0.000 2.645 498 S HA 0.273 4.743 4.470 -0.000 0.000 0.266 498 S C 0.640 175.169 174.600 -0.119 0.000 1.258 498 S CA -0.738 57.319 58.200 -0.238 0.000 0.990 498 S CB 1.685 64.716 63.200 -0.283 0.000 0.967 498 S HN 0.390 nan 8.310 nan 0.000 0.556 499 K N -0.145 120.216 120.400 -0.066 0.000 2.404 499 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 499 K C -0.622 175.949 176.600 -0.048 0.000 1.023 499 K CA -0.058 56.202 56.287 -0.046 0.000 1.094 499 K CB -0.065 32.421 32.500 -0.023 0.000 0.841 499 K HN 0.598 nan 8.250 nan 0.000 0.523 500 D N 1.248 121.615 120.400 -0.054 0.000 2.488 500 D HA 0.006 4.646 4.640 -0.000 0.000 0.238 500 D C -0.062 176.214 176.300 -0.040 0.000 1.138 500 D CA 0.585 54.562 54.000 -0.037 0.000 0.873 500 D CB 0.644 41.430 40.800 -0.023 0.000 1.183 500 D HN 0.032 nan 8.370 nan 0.000 0.458 501 L N 3.258 124.457 121.223 -0.039 0.000 2.334 501 L HA 0.456 4.796 4.340 -0.000 0.000 0.272 501 L C -1.699 175.143 176.870 -0.046 0.000 1.020 501 L CA -1.780 53.025 54.840 -0.058 0.000 0.812 501 L CB 0.953 42.969 42.059 -0.072 0.000 1.264 501 L HN 0.278 nan 8.230 nan 0.000 0.439 502 P HA 0.233 nan 4.420 nan 0.000 0.274 502 P C -0.728 176.559 177.300 -0.021 0.000 1.231 502 P CA -0.557 62.519 63.100 -0.040 0.000 0.790 502 P CB 0.699 32.369 31.700 -0.050 0.000 0.951 503 L N 1.172 122.398 121.223 0.006 0.000 2.578 503 L HA -0.003 4.337 4.340 -0.000 0.000 0.279 503 L C 1.822 178.743 176.870 0.085 0.000 1.227 503 L CA -0.128 54.733 54.840 0.035 0.000 0.900 503 L CB -0.070 42.006 42.059 0.027 0.000 1.144 503 L HN 0.511 nan 8.230 nan 0.000 0.496 504 A N 3.210 126.115 122.820 0.140 0.000 2.066 504 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 504 A C 1.185 178.879 177.584 0.183 0.000 1.157 504 A CA 0.736 52.951 52.037 0.297 0.000 0.670 504 A CB -0.528 18.664 19.000 0.321 0.000 0.804 504 A HN 0.966 nan 8.150 nan 0.000 0.453 505 Q N -2.367 117.490 119.800 0.096 0.000 2.417 505 Q HA -0.188 4.152 4.340 -0.000 0.000 0.350 505 Q C 0.753 176.769 176.000 0.027 0.000 1.364 505 Q CA 0.844 56.679 55.803 0.052 0.000 1.024 505 Q CB -2.564 26.201 28.738 0.045 0.000 1.235 505 Q HN 1.806 nan 8.270 nan 0.000 0.388 506 G N -0.442 108.365 108.800 0.011 0.000 2.258 506 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.233 506 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.233 506 G C 0.225 175.081 174.900 -0.074 0.000 1.006 506 G CA -0.035 45.051 45.100 -0.023 0.000 0.620 506 G HN 0.545 nan 8.290 nan 0.000 0.511 507 I N 1.814 122.314 120.570 -0.117 0.000 2.365 507 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 507 I C 0.505 176.342 176.117 -0.467 0.000 1.004 507 I CA -0.481 60.627 61.300 -0.320 0.000 1.311 507 I CB 1.266 38.998 38.000 -0.447 0.000 1.401 507 I HN -0.068 nan 8.210 nan 0.000 0.491 508 K N 6.204 126.350 120.400 -0.423 0.000 2.234 508 K HA 0.500 4.820 4.320 -0.000 0.000 0.282 508 K C -1.009 175.298 176.600 -0.489 0.000 1.039 508 K CA -0.209 55.890 56.287 -0.313 0.000 0.928 508 K CB 1.033 33.448 32.500 -0.143 0.000 1.039 508 K HN 0.287 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 0.000 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