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_G 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 0.000 174.596 174.600 -0.008 0.000 1.055 1 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1 S CB 0.000 63.206 63.200 0.009 0.000 0.593 2 G N 1.683 110.472 108.800 -0.018 0.000 2.796 2 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 2 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 2 G C -0.679 174.181 174.900 -0.067 0.000 1.381 2 G CA -0.194 44.883 45.100 -0.038 0.000 0.867 2 G HN 0.788 nan 8.290 nan 0.000 0.552 3 L N 0.189 121.356 121.223 -0.093 0.000 2.371 3 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 3 L C 1.906 178.679 176.870 -0.162 0.000 1.124 3 L CA -1.107 53.647 54.840 -0.144 0.000 0.816 3 L CB 0.779 42.748 42.059 -0.150 0.000 1.129 3 L HN 0.508 nan 8.230 nan 0.000 0.448 4 L N 2.823 123.895 121.223 -0.252 0.000 2.042 4 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 4 L C 2.073 178.763 176.870 -0.301 0.000 1.076 4 L CA 1.662 56.267 54.840 -0.393 0.000 0.749 4 L CB -0.650 40.959 42.059 -0.750 0.000 0.893 4 L HN 0.613 nan 8.230 nan 0.000 0.432 5 I N -0.437 119.972 120.570 -0.268 0.000 2.335 5 I HA -0.334 3.836 4.170 -0.000 0.000 0.251 5 I C 1.848 177.897 176.117 -0.114 0.000 1.129 5 I CA 1.105 62.284 61.300 -0.202 0.000 1.402 5 I CB -0.099 37.777 38.000 -0.206 0.000 1.069 5 I HN 0.409 nan 8.210 nan 0.000 0.424 6 N N 0.834 119.479 118.700 -0.092 0.000 2.459 6 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 6 N C 0.188 175.689 175.510 -0.015 0.000 1.046 6 N CA 0.518 53.536 53.050 -0.053 0.000 0.904 6 N CB -0.068 38.387 38.487 -0.053 0.000 0.964 6 N HN 0.558 nan 8.380 nan 0.000 0.444 7 Q N 0.461 120.273 119.800 0.019 0.000 2.293 7 Q HA 0.145 4.485 4.340 -0.000 0.000 0.251 7 Q C -1.580 174.470 176.000 0.084 0.000 0.930 7 Q CA -1.666 54.182 55.803 0.075 0.000 0.893 7 Q CB 0.984 29.815 28.738 0.155 0.000 1.215 7 Q HN 0.031 nan 8.270 nan 0.000 0.425 8 P HA -0.227 nan 4.420 nan 0.000 0.216 8 P C 0.888 178.207 177.300 0.031 0.000 1.150 8 P CA 1.221 64.340 63.100 0.031 0.000 0.837 8 P CB 0.198 31.908 31.700 0.018 0.000 0.786 9 K N -1.237 119.173 120.400 0.017 0.000 2.293 9 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 9 K C 0.414 176.898 176.600 -0.193 0.000 1.045 9 K CA 1.393 57.619 56.287 -0.101 0.000 0.933 9 K CB -0.280 32.121 32.500 -0.164 0.000 0.736 9 K HN 0.199 nan 8.250 nan 0.000 0.463 10 Y N -0.534 119.758 120.300 -0.013 0.000 2.706 10 Y HA 0.129 4.679 4.550 -0.000 0.000 0.255 10 Y C 1.410 176.995 175.900 -0.525 0.000 1.163 10 Y CA -0.155 57.754 58.100 -0.318 0.000 1.174 10 Y CB 0.858 39.148 38.460 -0.284 0.000 1.200 10 Y HN 0.129 nan 8.280 nan 0.000 0.544 11 S N -0.575 115.052 115.700 -0.120 0.000 2.555 11 S HA -0.129 4.341 4.470 -0.000 0.000 0.230 11 S C 1.620 176.194 174.600 -0.043 0.000 0.978 11 S CA 0.320 58.470 58.200 -0.084 0.000 0.934 11 S CB -0.757 62.445 63.200 0.002 0.000 0.766 11 S HN 0.702 nan 8.310 nan 0.000 0.533 12 W N 1.332 122.690 121.300 0.096 0.000 2.421 12 W HA 0.076 4.736 4.660 -0.000 0.000 0.270 12 W C 1.065 177.621 176.519 0.061 0.000 1.233 12 W CA -0.120 57.274 57.345 0.082 0.000 1.226 12 W CB -0.984 28.547 29.460 0.118 0.000 1.121 12 W HN 0.276 nan 8.180 nan 0.000 0.579 13 L N 1.618 122.578 121.223 -0.438 0.000 2.265 13 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 13 L C 2.577 179.377 176.870 -0.117 0.000 1.117 13 L CA 1.409 56.040 54.840 -0.349 0.000 0.782 13 L CB -0.520 41.199 42.059 -0.567 0.000 0.914 13 L HN -0.085 nan 8.230 nan 0.000 0.441 14 K N -0.126 120.225 120.400 -0.081 0.000 2.296 14 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 14 K C 1.636 178.231 176.600 -0.008 0.000 1.048 14 K CA 0.712 56.968 56.287 -0.052 0.000 0.966 14 K CB 0.000 32.472 32.500 -0.048 0.000 0.754 14 K HN 0.420 nan 8.250 nan 0.000 0.466 15 E N 1.011 121.242 120.200 0.051 0.000 2.268 15 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 15 E C 1.502 178.130 176.600 0.047 0.000 0.995 15 E CA 0.574 57.014 56.400 0.066 0.000 0.836 15 E CB 0.007 29.782 29.700 0.124 0.000 0.763 15 E HN 0.233 nan 8.360 nan 0.000 0.491 16 L N -0.404 120.848 121.223 0.048 0.000 2.591 16 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 16 L C 1.148 177.996 176.870 -0.037 0.000 1.133 16 L CA 0.231 55.087 54.840 0.026 0.000 0.880 16 L CB 0.119 42.215 42.059 0.061 0.000 1.033 16 L HN 0.251 nan 8.230 nan 0.000 0.450 17 G N 0.634 109.396 108.800 -0.063 0.000 2.147 17 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 17 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 17 G C 0.042 174.844 174.900 -0.162 0.000 1.005 17 G CA -0.118 44.907 45.100 -0.125 0.000 0.713 17 G HN 0.234 nan 8.290 nan 0.000 0.515 18 L N 0.185 121.332 121.223 -0.126 0.000 2.360 18 L HA 0.810 5.150 4.340 -0.000 0.000 0.271 18 L C 0.705 177.494 176.870 -0.136 0.000 1.057 18 L CA -0.191 54.566 54.840 -0.138 0.000 0.803 18 L CB 1.850 43.835 42.059 -0.124 0.000 1.207 18 L HN 0.287 nan 8.230 nan 0.000 0.445 19 S N -0.092 115.526 115.700 -0.136 0.000 2.806 19 S HA 0.301 4.771 4.470 -0.000 0.000 0.306 19 S C 0.582 175.110 174.600 -0.119 0.000 1.167 19 S CA -0.560 57.568 58.200 -0.121 0.000 0.847 19 S CB 1.459 64.590 63.200 -0.116 0.000 1.216 19 S HN 0.720 nan 8.310 nan 0.000 0.532 20 E N 0.260 120.398 120.200 -0.105 0.000 2.033 20 E HA -0.113 4.236 4.350 -0.000 0.000 0.199 20 E C -0.454 176.087 176.600 -0.099 0.000 1.011 20 E CA 1.673 58.012 56.400 -0.102 0.000 0.815 20 E CB -0.156 29.493 29.700 -0.084 0.000 0.755 20 E HN 0.607 nan 8.360 nan 0.000 0.451 21 D N 0.177 120.527 120.400 -0.084 0.000 2.185 21 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 21 D C -0.625 175.629 176.300 -0.077 0.000 1.027 21 D CA -0.359 53.597 54.000 -0.073 0.000 0.861 21 D CB 1.006 41.774 40.800 -0.054 0.000 1.202 21 D HN -0.059 nan 8.370 nan 0.000 0.453 22 N N 1.929 120.589 118.700 -0.067 0.000 2.295 22 N HA 0.338 5.078 4.740 -0.000 0.000 0.293 22 N C -2.777 172.727 175.510 -0.011 0.000 1.040 22 N CA -1.459 51.550 53.050 -0.068 0.000 0.840 22 N CB 2.107 40.543 38.487 -0.085 0.000 1.468 22 N HN 0.087 nan 8.380 nan 0.000 0.478 23 P HA 0.118 nan 4.420 nan 0.000 0.271 23 P C 0.687 178.107 177.300 0.199 0.000 1.220 23 P CA -0.007 63.178 63.100 0.141 0.000 0.768 23 P CB 0.601 32.457 31.700 0.260 0.000 0.848 24 G N 2.041 110.922 108.800 0.135 0.000 3.088 24 G HA2 0.191 4.150 3.960 -0.000 0.000 0.217 24 G HA3 0.191 4.150 3.960 -0.000 0.000 0.217 24 G C -0.139 174.815 174.900 0.090 0.000 1.159 24 G CA 0.104 45.260 45.100 0.092 0.000 0.760 24 G HN 0.400 nan 8.290 nan 0.000 0.550 25 V N 0.325 120.318 119.914 0.132 0.000 2.495 25 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 25 V C -1.261 174.848 176.094 0.026 0.000 1.031 25 V CA -1.057 61.280 62.300 0.062 0.000 0.871 25 V CB 1.520 33.363 31.823 0.034 0.000 0.988 25 V HN 0.259 nan 8.190 nan 0.000 0.432 26 Y N 4.947 125.061 120.300 -0.309 0.000 2.421 26 Y HA 0.590 5.140 4.550 -0.000 0.000 0.339 26 Y C 0.021 175.690 175.900 -0.385 0.000 0.996 26 Y CA -0.656 57.059 58.100 -0.643 0.000 1.046 26 Y CB 1.978 39.657 38.460 -1.302 0.000 1.226 26 Y HN 0.744 nan 8.280 nan 0.000 0.445 27 N N 2.814 120.855 118.700 -1.098 0.000 2.471 27 N HA 0.342 5.082 4.740 -0.000 0.000 0.270 27 N C 0.416 175.444 175.510 -0.803 0.000 1.490 27 N CA 0.079 52.678 53.050 -0.752 0.000 0.850 27 N CB 1.044 39.310 38.487 -0.368 0.000 1.411 27 N HN 0.999 nan 8.380 nan 0.000 0.488 28 G N -0.283 107.673 108.800 -1.406 0.000 2.284 28 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 28 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 28 G C -0.093 174.546 174.900 -0.434 0.000 1.009 28 G CA 0.176 44.864 45.100 -0.686 0.000 0.625 28 G HN 1.167 nan 8.290 nan 0.000 0.501 29 S N -0.895 114.511 115.700 -0.490 0.000 2.569 29 S HA 0.721 5.191 4.470 -0.000 0.000 0.280 29 S C -0.942 173.586 174.600 -0.121 0.000 1.111 29 S CA -0.861 57.263 58.200 -0.126 0.000 0.887 29 S CB 1.765 64.953 63.200 -0.021 0.000 1.095 29 S HN 0.566 nan 8.310 nan 0.000 0.476 30 W N 0.590 121.986 121.300 0.159 0.000 2.381 30 W HA 0.730 5.390 4.660 -0.000 0.000 0.329 30 W C 0.867 177.428 176.519 0.071 0.000 1.157 30 W CA 0.622 58.066 57.345 0.165 0.000 1.240 30 W CB 1.580 31.132 29.460 0.154 0.000 1.199 30 W HN 1.270 nan 8.180 nan 0.000 0.579 31 G N -0.264 108.717 108.800 0.301 0.000 2.364 31 G HA2 0.552 4.512 3.960 -0.000 0.000 0.286 31 G HA3 0.552 4.512 3.960 -0.000 0.000 0.286 31 G C -0.648 174.330 174.900 0.131 0.000 1.241 31 G CA 0.038 45.239 45.100 0.170 0.000 0.887 31 G HN 1.264 nan 8.290 nan 0.000 0.484 32 G N -1.958 106.890 108.800 0.080 0.000 2.634 32 G HA2 0.516 4.476 3.960 -0.000 0.000 0.568 32 G HA3 0.516 4.476 3.960 -0.000 0.000 0.568 32 G C -0.029 174.897 174.900 0.044 0.000 1.495 32 G CA 0.656 45.791 45.100 0.059 0.000 0.903 32 G HN 2.120 nan 8.290 nan 0.000 0.646 33 S N 0.455 116.175 115.700 0.033 0.000 3.082 33 S HA 0.606 5.076 4.470 -0.000 0.000 0.253 33 S C 1.149 175.761 174.600 0.020 0.000 0.961 33 S CA 0.774 58.989 58.200 0.025 0.000 1.129 33 S CB 0.498 63.712 63.200 0.023 0.000 1.083 33 S HN 1.842 nan 8.310 nan 0.000 0.605 34 G N 1.245 110.057 108.800 0.020 0.000 2.546 34 G HA2 0.465 4.425 3.960 -0.000 0.000 0.239 34 G HA3 0.465 4.425 3.960 -0.000 0.000 0.239 34 G C -0.416 174.490 174.900 0.010 0.000 1.476 34 G CA -0.776 44.333 45.100 0.016 0.000 1.064 34 G HN 0.490 nan 8.290 nan 0.000 0.561 35 E N -1.004 119.200 120.200 0.007 0.000 2.384 35 E HA 0.269 4.619 4.350 -0.000 0.000 0.266 35 E C -0.421 176.179 176.600 -0.000 0.000 1.012 35 E CA -0.202 56.200 56.400 0.004 0.000 0.901 35 E CB 1.373 31.075 29.700 0.004 0.000 0.967 35 E HN 0.064 nan 8.360 nan 0.000 0.435 36 V N 5.224 125.136 119.914 -0.003 0.000 2.432 36 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 36 V C 0.214 176.300 176.094 -0.012 0.000 1.046 36 V CA -0.178 62.116 62.300 -0.011 0.000 0.945 36 V CB 0.497 32.310 31.823 -0.015 0.000 0.992 36 V HN 0.573 nan 8.190 nan 0.000 0.471 37 I N 4.047 124.605 120.570 -0.020 0.000 2.460 37 I HA 0.457 4.627 4.170 -0.000 0.000 0.298 37 I C 0.180 176.266 176.117 -0.051 0.000 0.989 37 I CA 0.058 61.348 61.300 -0.017 0.000 1.173 37 I CB 1.994 39.989 38.000 -0.008 0.000 1.338 37 I HN 0.585 nan 8.210 nan 0.000 0.456 38 T N 4.993 119.513 114.554 -0.057 0.000 2.758 38 T HA 0.189 4.539 4.350 -0.000 0.000 0.285 38 T C -0.359 174.191 174.700 -0.250 0.000 0.981 38 T CA -0.311 61.671 62.100 -0.197 0.000 0.965 38 T CB 1.051 69.757 68.868 -0.270 0.000 0.927 38 T HN 0.527 nan 8.240 nan 0.000 0.448 39 S N 3.377 118.913 115.700 -0.274 0.000 2.452 39 S HA 0.480 4.950 4.470 -0.000 0.000 0.284 39 S C -0.988 173.433 174.600 -0.298 0.000 1.171 39 S CA -0.576 57.515 58.200 -0.182 0.000 1.064 39 S CB -0.055 63.079 63.200 -0.111 0.000 0.967 39 S HN 0.507 nan 8.310 nan 0.000 0.484 40 Y N 2.499 122.741 120.300 -0.096 0.000 2.361 40 Y HA 0.396 4.945 4.550 -0.000 0.000 0.332 40 Y C 0.726 176.562 175.900 -0.106 0.000 1.101 40 Y CA -0.778 57.259 58.100 -0.105 0.000 1.137 40 Y CB 1.057 39.450 38.460 -0.112 0.000 1.207 40 Y HN 0.681 nan 8.280 nan 0.000 0.463 41 C N 7.100 126.435 119.300 0.059 0.000 2.442 41 C HA 0.237 4.697 4.460 -0.000 0.000 0.362 41 C C -1.019 173.985 174.990 0.024 0.000 1.242 41 C CA -1.951 57.087 59.018 0.033 0.000 1.741 41 C CB -0.369 27.388 27.740 0.028 0.000 2.378 41 C HN 0.675 nan 8.230 nan 0.000 0.549 42 P HA -0.013 nan 4.420 nan 0.000 0.234 42 P C 1.022 178.266 177.300 -0.093 0.000 1.167 42 P CA 1.314 64.350 63.100 -0.106 0.000 0.763 42 P CB 0.027 31.624 31.700 -0.172 0.000 0.835 43 A N 1.001 123.823 122.820 0.004 0.000 2.072 43 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 43 A C 1.449 179.161 177.584 0.214 0.000 1.156 43 A CA 1.235 53.342 52.037 0.116 0.000 0.701 43 A CB -0.654 18.459 19.000 0.189 0.000 0.816 43 A HN 0.369 nan 8.150 nan 0.000 0.458 44 N N -3.343 115.435 118.700 0.130 0.000 1.986 44 N HA 0.032 4.772 4.740 -0.000 0.000 0.227 44 N C -0.138 175.419 175.510 0.078 0.000 1.387 44 N CA 0.334 53.456 53.050 0.120 0.000 0.810 44 N CB -1.112 37.449 38.487 0.124 0.000 1.140 44 N HN 0.278 nan 8.380 nan 0.000 0.504 45 N N 0.137 118.871 118.700 0.057 0.000 2.714 45 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 45 N C -1.278 174.322 175.510 0.149 0.000 1.117 45 N CA 0.964 54.041 53.050 0.043 0.000 0.719 45 N CB -0.537 37.930 38.487 -0.033 0.000 1.081 45 N HN 0.431 nan 8.380 nan 0.000 0.557 46 E N 0.479 120.764 120.200 0.142 0.000 2.266 46 E HA 0.262 4.612 4.350 -0.000 0.000 0.277 46 E C -2.237 174.409 176.600 0.077 0.000 1.018 46 E CA -1.782 54.687 56.400 0.115 0.000 0.840 46 E CB 0.785 30.499 29.700 0.023 0.000 1.082 46 E HN 0.109 nan 8.360 nan 0.000 0.395 47 P HA 0.171 nan 4.420 nan 0.000 0.276 47 P C 0.416 177.518 177.300 -0.329 0.000 1.230 47 P CA 0.099 62.931 63.100 -0.445 0.000 0.776 47 P CB 0.908 32.334 31.700 -0.456 0.000 0.888 48 I N 1.684 122.043 120.570 -0.352 0.000 2.499 48 I HA 0.223 4.393 4.170 -0.000 0.000 0.243 48 I C 1.190 177.143 176.117 -0.274 0.000 1.085 48 I CA 0.885 62.003 61.300 -0.304 0.000 1.422 48 I CB -0.133 37.718 38.000 -0.248 0.000 1.165 48 I HN 0.418 nan 8.210 nan 0.000 0.440 49 A N 0.029 122.695 122.820 -0.256 0.000 2.515 49 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 49 A C -1.158 176.312 177.584 -0.191 0.000 1.065 49 A CA -0.716 51.198 52.037 -0.206 0.000 0.641 49 A CB 0.958 19.853 19.000 -0.176 0.000 1.306 49 A HN 0.051 nan 8.150 nan 0.000 0.441 50 R N -0.558 119.854 120.500 -0.147 0.000 2.732 50 R HA 0.751 5.091 4.340 -0.000 0.000 0.278 50 R C -1.364 174.883 176.300 -0.089 0.000 0.976 50 R CA -0.762 55.266 56.100 -0.119 0.000 0.963 50 R CB 2.112 32.353 30.300 -0.099 0.000 1.150 50 R HN 0.442 nan 8.270 nan 0.000 0.478 51 V N 1.198 121.070 119.914 -0.069 0.000 2.638 51 V HA 0.263 4.383 4.120 -0.000 0.000 0.306 51 V C -0.449 175.629 176.094 -0.027 0.000 1.052 51 V CA -0.825 61.448 62.300 -0.046 0.000 0.885 51 V CB 2.302 34.096 31.823 -0.048 0.000 0.999 51 V HN 0.794 nan 8.190 nan 0.000 0.424 52 T N 4.933 119.482 114.554 -0.009 0.000 2.727 52 T HA 0.361 4.711 4.350 -0.000 0.000 0.298 52 T C 0.049 174.757 174.700 0.013 0.000 0.942 52 T CA -0.249 61.853 62.100 0.004 0.000 0.997 52 T CB 0.481 69.357 68.868 0.014 0.000 0.917 52 T HN 0.662 nan 8.240 nan 0.000 0.487 53 Q N 1.340 121.142 119.800 0.004 0.000 2.407 53 Q HA 0.586 4.926 4.340 -0.000 0.000 0.214 53 Q C 0.384 176.395 176.000 0.018 0.000 1.043 53 Q CA -0.755 55.050 55.803 0.004 0.000 0.983 53 Q CB 0.549 29.284 28.738 -0.006 0.000 1.211 53 Q HN 0.795 nan 8.270 nan 0.000 0.564 54 A N 0.663 123.497 122.820 0.022 0.000 2.322 54 A HA 0.412 4.732 4.320 -0.000 0.000 0.269 54 A C 0.043 177.650 177.584 0.039 0.000 1.094 54 A CA -0.431 51.631 52.037 0.041 0.000 0.807 54 A CB 0.326 19.366 19.000 0.066 0.000 1.047 54 A HN 0.691 nan 8.150 nan 0.000 0.487 55 T N -0.056 114.526 114.554 0.047 0.000 2.874 55 T HA 0.415 4.765 4.350 -0.000 0.000 0.281 55 T C 1.083 175.827 174.700 0.074 0.000 0.994 55 T CA -0.502 61.625 62.100 0.045 0.000 1.015 55 T CB 0.596 69.486 68.868 0.037 0.000 1.028 55 T HN 0.326 nan 8.240 nan 0.000 0.523 56 L N 1.559 122.821 121.223 0.065 0.000 2.043 56 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 56 L C 3.017 179.974 176.870 0.145 0.000 1.075 56 L CA 2.320 57.223 54.840 0.105 0.000 0.752 56 L CB -1.088 41.010 42.059 0.064 0.000 0.891 56 L HN 0.994 nan 8.230 nan 0.000 0.432 57 A N -1.023 121.848 122.820 0.085 0.000 1.940 57 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 57 A C 2.209 179.823 177.584 0.050 0.000 1.176 57 A CA 1.953 54.026 52.037 0.060 0.000 0.631 57 A CB -0.482 18.540 19.000 0.037 0.000 0.814 57 A HN 0.536 nan 8.150 nan 0.000 0.446 58 E N -1.945 118.292 120.200 0.060 0.000 2.158 58 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 58 E C 1.795 178.425 176.600 0.050 0.000 0.982 58 E CA 1.092 57.516 56.400 0.040 0.000 0.823 58 E CB -0.275 29.450 29.700 0.041 0.000 0.766 58 E HN 0.814 nan 8.360 nan 0.000 0.468 59 Y N 2.209 122.505 120.300 -0.007 0.000 2.114 59 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 59 Y C 2.292 178.189 175.900 -0.004 0.000 1.143 59 Y CA 2.078 60.175 58.100 -0.004 0.000 1.135 59 Y CB -0.184 38.278 38.460 0.005 0.000 0.980 59 Y HN -0.057 nan 8.280 nan 0.000 0.499 60 E N 0.811 120.969 120.200 -0.070 0.000 2.086 60 E HA -0.299 4.051 4.350 -0.000 0.000 0.200 60 E C 2.205 178.696 176.600 -0.181 0.000 1.012 60 E CA 2.220 58.535 56.400 -0.142 0.000 0.812 60 E CB -0.580 29.131 29.700 0.019 0.000 0.743 60 E HN 0.691 nan 8.360 nan 0.000 0.453 61 E N -1.209 118.924 120.200 -0.111 0.000 2.150 61 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 61 E C 1.698 178.215 176.600 -0.138 0.000 0.985 61 E CA 1.502 57.843 56.400 -0.099 0.000 0.814 61 E CB -0.035 29.628 29.700 -0.061 0.000 0.752 61 E HN 0.340 nan 8.360 nan 0.000 0.466 62 T N 0.229 114.675 114.554 -0.179 0.000 2.821 62 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 62 T C 1.889 176.460 174.700 -0.214 0.000 1.046 62 T CA 0.946 62.934 62.100 -0.188 0.000 1.139 62 T CB -0.006 68.768 68.868 -0.158 0.000 0.871 62 T HN 0.018 nan 8.240 nan 0.000 0.454 63 V N 1.472 121.190 119.914 -0.326 0.000 2.358 63 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 63 V C 2.576 178.581 176.094 -0.149 0.000 1.047 63 V CA 1.608 63.742 62.300 -0.276 0.000 1.035 63 V CB -0.628 30.954 31.823 -0.402 0.000 0.658 63 V HN 0.494 nan 8.190 nan 0.000 0.452 64 Q N -0.282 119.439 119.800 -0.132 0.000 2.084 64 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 64 Q C 2.351 178.320 176.000 -0.052 0.000 0.978 64 Q CA 1.664 57.423 55.803 -0.073 0.000 0.844 64 Q CB -0.184 28.517 28.738 -0.062 0.000 0.898 64 Q HN 0.534 nan 8.270 nan 0.000 0.426 65 K N -0.469 119.886 120.400 -0.075 0.000 2.148 65 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 65 K C 2.128 178.701 176.600 -0.046 0.000 1.050 65 K CA 1.374 57.620 56.287 -0.068 0.000 0.942 65 K CB 0.040 32.474 32.500 -0.111 0.000 0.724 65 K HN 0.104 nan 8.250 nan 0.000 0.446 66 T N 0.408 114.932 114.554 -0.051 0.000 2.701 66 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 66 T C 1.750 176.490 174.700 0.068 0.000 1.040 66 T CA 0.932 63.028 62.100 -0.007 0.000 1.147 66 T CB -0.006 68.849 68.868 -0.022 0.000 0.865 66 T HN 0.075 nan 8.240 nan 0.000 0.426 67 R N 1.017 121.543 120.500 0.044 0.000 2.105 67 R HA -0.043 4.297 4.340 -0.000 0.000 0.239 67 R C 2.331 178.735 176.300 0.172 0.000 1.135 67 R CA 1.295 57.446 56.100 0.086 0.000 0.967 67 R CB -0.704 29.607 30.300 0.019 0.000 0.861 67 R HN 0.391 nan 8.270 nan 0.000 0.442 68 E N 0.244 120.508 120.200 0.107 0.000 2.072 68 E HA -0.011 4.338 4.350 -0.000 0.000 0.190 68 E C 1.761 178.438 176.600 0.130 0.000 0.982 68 E CA 1.388 57.852 56.400 0.106 0.000 0.803 68 E CB -0.207 29.522 29.700 0.048 0.000 0.755 68 E HN 0.277 nan 8.360 nan 0.000 0.453 69 A N -0.224 122.665 122.820 0.115 0.000 1.933 69 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 69 A C 2.086 179.797 177.584 0.211 0.000 1.175 69 A CA 1.420 53.525 52.037 0.112 0.000 0.628 69 A CB -1.252 17.774 19.000 0.043 0.000 0.814 69 A HN 0.598 nan 8.150 nan 0.000 0.444 70 W N 1.018 122.378 121.300 0.101 0.000 2.338 70 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 70 W C 2.026 178.650 176.519 0.175 0.000 1.212 70 W CA 2.239 59.693 57.345 0.180 0.000 1.264 70 W CB -0.100 29.443 29.460 0.138 0.000 1.142 70 W HN 0.280 nan 8.180 nan 0.000 0.512 71 K N -0.390 120.125 120.400 0.192 0.000 2.034 71 K HA -0.304 4.016 4.320 -0.000 0.000 0.214 71 K C 2.021 178.530 176.600 -0.152 0.000 1.051 71 K CA 2.877 59.156 56.287 -0.013 0.000 0.931 71 K CB -0.678 31.887 32.500 0.108 0.000 0.715 71 K HN 0.335 nan 8.250 nan 0.000 0.446 72 M N -0.752 118.828 119.600 -0.032 0.000 2.200 72 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 72 M C 1.867 178.151 176.300 -0.026 0.000 1.066 72 M CA 1.381 56.667 55.300 -0.024 0.000 1.127 72 M CB -0.874 31.749 32.600 0.038 0.000 1.379 72 M HN 0.305 nan 8.290 nan 0.000 0.420 73 W N 1.562 122.737 121.300 -0.208 0.000 2.379 73 W HA -0.073 4.587 4.660 -0.000 0.000 0.307 73 W C 2.011 178.343 176.519 -0.312 0.000 1.200 73 W CA 1.831 59.056 57.345 -0.200 0.000 1.297 73 W CB -0.284 29.108 29.460 -0.113 0.000 1.140 73 W HN 0.428 nan 8.180 nan 0.000 0.507 74 A N 0.472 122.913 122.820 -0.632 0.000 2.076 74 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 74 A C 1.429 178.707 177.584 -0.511 0.000 1.160 74 A CA 2.021 53.598 52.037 -0.767 0.000 0.653 74 A CB -0.824 17.334 19.000 -1.402 0.000 0.801 74 A HN 0.245 nan 8.150 nan 0.000 0.455 75 D N -0.538 119.617 120.400 -0.408 0.000 2.347 75 D HA 0.116 4.756 4.640 -0.000 0.000 0.213 75 D C 0.339 176.484 176.300 -0.258 0.000 0.985 75 D CA 0.307 54.144 54.000 -0.272 0.000 0.879 75 D CB -0.019 40.665 40.800 -0.192 0.000 0.919 75 D HN 0.458 nan 8.370 nan 0.000 0.526 76 I N 2.376 122.734 120.570 -0.353 0.000 2.352 76 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 76 I C -2.077 173.816 176.117 -0.372 0.000 1.036 76 I CA -1.981 59.109 61.300 -0.350 0.000 1.336 76 I CB 0.995 38.734 38.000 -0.434 0.000 1.407 76 I HN -0.343 nan 8.210 nan 0.000 0.497 77 P HA -0.095 nan 4.420 nan 0.000 0.266 77 P C 0.416 177.567 177.300 -0.248 0.000 1.186 77 P CA 0.184 63.156 63.100 -0.214 0.000 0.767 77 P CB 0.737 32.345 31.700 -0.153 0.000 0.820 78 A N 5.837 128.526 122.820 -0.219 0.000 1.908 78 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 78 A C -0.450 177.025 177.584 -0.183 0.000 1.181 78 A CA 1.872 53.778 52.037 -0.219 0.000 0.627 78 A CB -2.388 16.494 19.000 -0.196 0.000 0.818 78 A HN 0.483 nan 8.150 nan 0.000 0.445 79 P HA -0.133 nan 4.420 nan 0.000 0.218 79 P C 1.216 178.454 177.300 -0.104 0.000 1.148 79 P CA 1.426 64.454 63.100 -0.120 0.000 0.822 79 P CB -0.026 31.611 31.700 -0.104 0.000 0.784 80 K N -0.663 119.663 120.400 -0.123 0.000 2.217 80 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 80 K C 2.178 178.718 176.600 -0.100 0.000 1.051 80 K CA 0.814 57.040 56.287 -0.102 0.000 0.952 80 K CB -0.091 32.341 32.500 -0.113 0.000 0.736 80 K HN 0.071 nan 8.250 nan 0.000 0.453 81 R N -0.257 120.128 120.500 -0.191 0.000 2.092 81 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 81 R C 2.391 178.713 176.300 0.038 0.000 1.119 81 R CA 1.238 57.245 56.100 -0.155 0.000 0.970 81 R CB -0.358 29.714 30.300 -0.380 0.000 0.864 81 R HN 0.246 nan 8.270 nan 0.000 0.440 82 G N 1.206 109.988 108.800 -0.031 0.000 2.432 82 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 82 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 82 G C 1.323 176.229 174.900 0.010 0.000 1.135 82 G CA 0.757 45.848 45.100 -0.015 0.000 0.767 82 G HN 0.255 nan 8.290 nan 0.000 0.550 83 E N 0.739 120.943 120.200 0.006 0.000 2.118 83 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 83 E C 2.417 179.047 176.600 0.050 0.000 0.992 83 E CA 0.712 57.122 56.400 0.018 0.000 0.804 83 E CB -0.278 29.426 29.700 0.007 0.000 0.741 83 E HN 0.324 nan 8.360 nan 0.000 0.458 84 I N 0.205 120.835 120.570 0.101 0.000 2.142 84 I HA -0.207 3.962 4.170 -0.000 0.000 0.240 84 I C 2.415 178.590 176.117 0.098 0.000 1.078 84 I CA 0.792 62.173 61.300 0.135 0.000 1.343 84 I CB -1.392 36.774 38.000 0.278 0.000 1.046 84 I HN 0.060 nan 8.210 nan 0.000 0.405 85 V N 0.999 120.978 119.914 0.109 0.000 2.332 85 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 85 V C 2.774 178.890 176.094 0.037 0.000 1.055 85 V CA 1.793 64.139 62.300 0.077 0.000 1.038 85 V CB -0.848 31.023 31.823 0.080 0.000 0.651 85 V HN 0.394 nan 8.190 nan 0.000 0.450 86 R N -0.340 120.177 120.500 0.028 0.000 2.103 86 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 86 R C 2.410 178.710 176.300 -0.001 0.000 1.142 86 R CA 2.083 58.189 56.100 0.010 0.000 0.960 86 R CB -0.186 30.118 30.300 0.006 0.000 0.858 86 R HN 0.618 nan 8.270 nan 0.000 0.439 87 Q N -0.175 119.628 119.800 0.006 0.000 2.123 87 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 87 Q C 2.206 178.191 176.000 -0.026 0.000 0.966 87 Q CA 1.187 56.988 55.803 -0.003 0.000 0.845 87 Q CB 0.024 28.770 28.738 0.013 0.000 0.907 87 Q HN 0.419 nan 8.270 nan 0.000 0.439 88 I N 0.422 120.973 120.570 -0.031 0.000 2.163 88 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 88 I C 2.342 178.359 176.117 -0.166 0.000 1.085 88 I CA 1.250 62.496 61.300 -0.090 0.000 1.347 88 I CB -0.723 37.233 38.000 -0.074 0.000 1.044 88 I HN 0.294 nan 8.210 nan 0.000 0.408 89 G N 0.392 109.119 108.800 -0.121 0.000 2.469 89 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.219 89 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.219 89 G C 1.286 176.129 174.900 -0.095 0.000 1.150 89 G CA 1.232 46.262 45.100 -0.117 0.000 0.763 89 G HN 0.287 nan 8.290 nan 0.000 0.561 90 D N 0.499 120.862 120.400 -0.062 0.000 2.123 90 D HA 0.083 4.723 4.640 -0.000 0.000 0.200 90 D C 2.834 179.104 176.300 -0.051 0.000 0.976 90 D CA 1.048 55.021 54.000 -0.045 0.000 0.831 90 D CB -0.388 40.397 40.800 -0.025 0.000 0.974 90 D HN 0.266 nan 8.370 nan 0.000 0.469 91 A N 0.346 123.130 122.820 -0.059 0.000 1.933 91 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 91 A C 2.327 179.868 177.584 -0.071 0.000 1.175 91 A CA 0.925 52.930 52.037 -0.053 0.000 0.628 91 A CB -0.731 18.241 19.000 -0.047 0.000 0.814 91 A HN 0.228 nan 8.150 nan 0.000 0.444 92 L N -1.310 119.839 121.223 -0.123 0.000 2.046 92 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 92 L C 2.774 179.592 176.870 -0.087 0.000 1.077 92 L CA 1.567 56.323 54.840 -0.140 0.000 0.747 92 L CB -0.423 41.476 42.059 -0.268 0.000 0.896 92 L HN 0.383 nan 8.230 nan 0.000 0.432 93 R N 0.336 120.790 120.500 -0.076 0.000 2.091 93 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 93 R C 2.306 178.586 176.300 -0.033 0.000 1.136 93 R CA 1.529 57.599 56.100 -0.049 0.000 0.959 93 R CB -0.035 30.241 30.300 -0.039 0.000 0.856 93 R HN 0.308 nan 8.270 nan 0.000 0.437 94 K N -0.051 120.332 120.400 -0.028 0.000 2.147 94 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 94 K C 1.278 177.873 176.600 -0.009 0.000 1.049 94 K CA 0.972 57.250 56.287 -0.014 0.000 0.936 94 K CB 0.112 32.605 32.500 -0.010 0.000 0.722 94 K HN 0.050 nan 8.250 nan 0.000 0.446 95 K N 0.788 121.179 120.400 -0.015 0.000 2.397 95 K HA 0.126 4.446 4.320 -0.000 0.000 0.202 95 K C 1.524 178.116 176.600 -0.014 0.000 1.022 95 K CA -0.030 56.255 56.287 -0.003 0.000 1.141 95 K CB 0.220 32.722 32.500 0.004 0.000 0.857 95 K HN 0.162 nan 8.250 nan 0.000 0.514 96 I N 1.550 122.103 120.570 -0.029 0.000 2.194 96 I HA -0.368 3.802 4.170 -0.000 0.000 0.246 96 I C 1.860 177.938 176.117 -0.065 0.000 1.093 96 I CA 1.736 63.005 61.300 -0.050 0.000 1.355 96 I CB 0.223 38.191 38.000 -0.055 0.000 1.046 96 I HN 0.125 nan 8.210 nan 0.000 0.413 97 K N -0.028 120.352 120.400 -0.034 0.000 2.001 97 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 97 K C 1.961 178.518 176.600 -0.073 0.000 1.048 97 K CA 2.031 58.312 56.287 -0.009 0.000 0.932 97 K CB -0.381 32.145 32.500 0.045 0.000 0.715 97 K HN 0.443 nan 8.250 nan 0.000 0.437 98 V N -0.129 119.745 119.914 -0.067 0.000 2.427 98 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 98 V C 2.130 178.226 176.094 0.003 0.000 1.051 98 V CA 1.183 63.441 62.300 -0.071 0.000 1.048 98 V CB -0.668 31.224 31.823 0.115 0.000 0.666 98 V HN 0.119 nan 8.190 nan 0.000 0.456 99 L N 2.507 123.735 121.223 0.009 0.000 2.056 99 L HA 0.219 4.559 4.340 -0.000 0.000 0.207 99 L C 2.477 179.330 176.870 -0.028 0.000 1.078 99 L CA 2.213 57.069 54.840 0.026 0.000 0.749 99 L CB -1.415 40.656 42.059 0.021 0.000 0.901 99 L HN 0.330 nan 8.230 nan 0.000 0.433 100 G N -1.646 107.089 108.800 -0.109 0.000 2.440 100 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 100 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 100 G C 1.641 176.419 174.900 -0.203 0.000 1.154 100 G CA 0.935 45.912 45.100 -0.206 0.000 0.767 100 G HN 0.454 nan 8.290 nan 0.000 0.552 101 S N 0.072 115.630 115.700 -0.237 0.000 2.368 101 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 101 S C 2.184 176.719 174.600 -0.107 0.000 1.030 101 S CA 1.173 59.110 58.200 -0.439 0.000 0.999 101 S CB -0.283 62.180 63.200 -1.228 0.000 0.844 101 S HN 0.275 nan 8.310 nan 0.000 0.459 102 L N 1.971 123.265 121.223 0.118 0.000 2.046 102 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 102 L C 2.144 179.080 176.870 0.110 0.000 1.077 102 L CA 1.626 56.610 54.840 0.240 0.000 0.747 102 L CB -0.867 41.325 42.059 0.221 0.000 0.896 102 L HN 0.137 nan 8.230 nan 0.000 0.432 103 V N -0.929 119.008 119.914 0.039 0.000 2.287 103 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 103 V C 2.780 178.877 176.094 0.005 0.000 1.053 103 V CA 1.931 64.236 62.300 0.009 0.000 1.027 103 V CB -1.105 30.692 31.823 -0.043 0.000 0.646 103 V HN 0.667 nan 8.190 nan 0.000 0.447 104 S N -0.219 115.469 115.700 -0.020 0.000 2.370 104 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 104 S C 1.938 176.579 174.600 0.069 0.000 1.033 104 S CA 2.191 60.392 58.200 0.001 0.000 1.011 104 S CB -0.355 62.833 63.200 -0.019 0.000 0.852 104 S HN 0.441 nan 8.310 nan 0.000 0.457 105 L N 1.311 122.604 121.223 0.117 0.000 2.072 105 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 105 L C 2.312 179.251 176.870 0.116 0.000 1.079 105 L CA 2.272 57.218 54.840 0.175 0.000 0.752 105 L CB -0.663 41.574 42.059 0.297 0.000 0.906 105 L HN 0.432 nan 8.230 nan 0.000 0.436 106 E N -1.465 118.797 120.200 0.103 0.000 2.140 106 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 106 E C 2.065 178.768 176.600 0.172 0.000 0.973 106 E CA 0.558 57.017 56.400 0.097 0.000 0.829 106 E CB 0.022 29.770 29.700 0.080 0.000 0.781 106 E HN 0.440 nan 8.360 nan 0.000 0.466 107 M N -1.005 118.693 119.600 0.163 0.000 2.429 107 M HA 0.109 4.589 4.480 -0.000 0.000 0.265 107 M C 1.264 177.701 176.300 0.228 0.000 1.120 107 M CA 2.035 57.473 55.300 0.231 0.000 1.173 107 M CB 0.746 33.381 32.600 0.058 0.000 1.343 107 M HN 0.266 nan 8.290 nan 0.000 0.464 108 G N 1.681 110.532 108.800 0.085 0.000 2.192 108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 108 G C 0.135 175.012 174.900 -0.039 0.000 0.999 108 G CA 0.311 45.422 45.100 0.017 0.000 0.659 108 G HN 0.594 nan 8.290 nan 0.000 0.503 109 K N 1.630 121.997 120.400 -0.056 0.000 2.168 109 K HA 0.591 4.911 4.320 -0.000 0.000 0.258 109 K C 1.180 177.752 176.600 -0.047 0.000 1.010 109 K CA -0.324 55.906 56.287 -0.095 0.000 0.929 109 K CB 1.337 33.734 32.500 -0.171 0.000 0.998 109 K HN 0.828 nan 8.250 nan 0.000 0.479 110 I N -0.251 120.301 120.570 -0.030 0.000 2.813 110 I HA -0.079 4.091 4.170 -0.000 0.000 0.287 110 I C 1.328 177.457 176.117 0.019 0.000 1.196 110 I CA -0.606 60.715 61.300 0.034 0.000 1.421 110 I CB 0.277 38.311 38.000 0.057 0.000 1.365 110 I HN 0.804 nan 8.210 nan 0.000 0.591 111 Y N 4.745 125.014 120.300 -0.052 0.000 2.069 111 Y HA -0.288 4.262 4.550 -0.000 0.000 0.278 111 Y C 2.230 178.069 175.900 -0.101 0.000 1.175 111 Y CA 2.597 60.622 58.100 -0.125 0.000 1.134 111 Y CB -0.401 37.981 38.460 -0.129 0.000 0.965 111 Y HN 0.514 nan 8.280 nan 0.000 0.498 112 V N 0.630 120.456 119.914 -0.147 0.000 2.469 112 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 112 V C 2.052 178.008 176.094 -0.230 0.000 1.064 112 V CA 2.600 64.761 62.300 -0.230 0.000 1.066 112 V CB -0.447 31.353 31.823 -0.039 0.000 0.667 112 V HN 0.607 nan 8.190 nan 0.000 0.461 113 E N -0.466 119.637 120.200 -0.161 0.000 2.216 113 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 113 E C 2.128 178.622 176.600 -0.178 0.000 0.988 113 E CA 0.840 57.159 56.400 -0.136 0.000 0.834 113 E CB -0.361 29.277 29.700 -0.103 0.000 0.772 113 E HN 0.714 nan 8.360 nan 0.000 0.479 114 G N 0.946 109.605 108.800 -0.234 0.000 2.402 114 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 114 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 114 G C 1.715 176.457 174.900 -0.264 0.000 1.162 114 G CA 0.527 45.486 45.100 -0.236 0.000 0.777 114 G HN 0.106 nan 8.290 nan 0.000 0.539 115 V N 1.580 121.251 119.914 -0.406 0.000 2.343 115 V HA -0.066 4.053 4.120 -0.000 0.000 0.247 115 V C 3.151 179.127 176.094 -0.198 0.000 1.051 115 V CA 1.995 64.085 62.300 -0.350 0.000 1.036 115 V CB -1.016 30.510 31.823 -0.495 0.000 0.654 115 V HN 0.437 nan 8.190 nan 0.000 0.451 116 G N -0.641 108.056 108.800 -0.170 0.000 2.442 116 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 116 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 116 G C 1.522 176.380 174.900 -0.070 0.000 1.141 116 G CA 1.042 46.085 45.100 -0.095 0.000 0.763 116 G HN 0.604 nan 8.290 nan 0.000 0.554 117 E N -0.078 120.079 120.200 -0.072 0.000 2.072 117 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 117 E C 2.579 179.136 176.600 -0.071 0.000 0.985 117 E CA 1.035 57.404 56.400 -0.053 0.000 0.801 117 E CB -0.085 29.596 29.700 -0.030 0.000 0.750 117 E HN 0.241 nan 8.360 nan 0.000 0.452 118 V N 0.996 120.875 119.914 -0.059 0.000 2.343 118 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 118 V C 2.509 178.592 176.094 -0.019 0.000 1.051 118 V CA 2.001 64.287 62.300 -0.022 0.000 1.036 118 V CB -0.653 31.139 31.823 -0.050 0.000 0.654 118 V HN 0.301 nan 8.190 nan 0.000 0.451 119 Q N 0.273 120.046 119.800 -0.045 0.000 2.135 119 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 119 Q C 2.183 178.176 176.000 -0.011 0.000 0.981 119 Q CA 1.781 57.566 55.803 -0.030 0.000 0.856 119 Q CB -0.297 28.417 28.738 -0.039 0.000 0.902 119 Q HN 0.638 nan 8.270 nan 0.000 0.425 120 E N -0.942 119.229 120.200 -0.049 0.000 2.085 120 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 120 E C 1.754 178.325 176.600 -0.049 0.000 0.994 120 E CA 1.201 57.551 56.400 -0.085 0.000 0.801 120 E CB -0.428 29.088 29.700 -0.305 0.000 0.743 120 E HN 0.442 nan 8.360 nan 0.000 0.453 121 Y N 1.814 121.989 120.300 -0.208 0.000 2.133 121 Y HA -0.189 4.361 4.550 -0.000 0.000 0.287 121 Y C 2.417 178.275 175.900 -0.071 0.000 1.134 121 Y CA 0.576 58.578 58.100 -0.163 0.000 1.133 121 Y CB -0.659 37.712 38.460 -0.148 0.000 0.987 121 Y HN -0.222 nan 8.280 nan 0.000 0.502 122 V N 0.672 120.647 119.914 0.103 0.000 2.252 122 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 122 V C 2.192 178.325 176.094 0.065 0.000 1.056 122 V CA 2.353 64.664 62.300 0.018 0.000 1.022 122 V CB -0.712 31.099 31.823 -0.020 0.000 0.641 122 V HN 0.325 nan 8.190 nan 0.000 0.445 123 D N -0.506 119.938 120.400 0.073 0.000 2.144 123 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 123 D C 2.083 178.464 176.300 0.134 0.000 0.978 123 D CA 1.256 55.306 54.000 0.083 0.000 0.833 123 D CB -0.312 40.524 40.800 0.060 0.000 0.961 123 D HN 0.346 nan 8.370 nan 0.000 0.470 124 V N 0.241 120.257 119.914 0.170 0.000 2.667 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 124 V C 2.280 178.510 176.094 0.226 0.000 1.065 124 V CA 1.064 63.500 62.300 0.227 0.000 1.083 124 V CB -0.234 31.764 31.823 0.292 0.000 0.692 124 V HN 0.255 nan 8.190 nan 0.000 0.468 125 C N 0.149 119.563 119.300 0.190 0.000 2.432 125 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 125 C C 2.391 177.441 174.990 0.099 0.000 1.249 125 C CA 1.179 60.278 59.018 0.135 0.000 1.725 125 C CB -1.014 26.779 27.740 0.088 0.000 2.028 125 C HN 0.634 nan 8.230 nan 0.000 0.477 126 D N -0.670 119.789 120.400 0.098 0.000 2.144 126 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 126 D C 1.706 178.066 176.300 0.100 0.000 0.984 126 D CA 1.251 55.297 54.000 0.077 0.000 0.834 126 D CB -0.550 40.292 40.800 0.070 0.000 0.955 126 D HN 0.628 nan 8.370 nan 0.000 0.465 127 Y N 1.719 122.028 120.300 0.015 0.000 2.145 127 Y HA -0.185 4.364 4.550 -0.000 0.000 0.286 127 Y C 2.294 178.185 175.900 -0.015 0.000 1.145 127 Y CA 1.652 59.755 58.100 0.005 0.000 1.148 127 Y CB -0.440 38.032 38.460 0.020 0.000 0.981 127 Y HN -0.048 nan 8.280 nan 0.000 0.507 128 A N -0.825 122.004 122.820 0.014 0.000 1.972 128 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 128 A C 2.322 179.826 177.584 -0.134 0.000 1.169 128 A CA 1.784 53.765 52.037 -0.094 0.000 0.635 128 A CB -1.261 17.741 19.000 0.003 0.000 0.810 128 A HN 0.345 nan 8.150 nan 0.000 0.446 129 V N -0.080 119.787 119.914 -0.079 0.000 2.343 129 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 129 V C 2.817 178.833 176.094 -0.130 0.000 1.051 129 V CA 1.944 64.196 62.300 -0.080 0.000 1.036 129 V CB -1.483 30.317 31.823 -0.038 0.000 0.654 129 V HN 0.599 nan 8.190 nan 0.000 0.451 130 G N -0.228 108.473 108.800 -0.164 0.000 2.446 130 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 130 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 130 G C 1.592 176.330 174.900 -0.270 0.000 1.168 130 G CA 0.925 45.904 45.100 -0.202 0.000 0.771 130 G HN 0.461 nan 8.290 nan 0.000 0.551 131 L N 1.635 122.633 121.223 -0.374 0.000 2.131 131 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 131 L C 3.228 179.883 176.870 -0.358 0.000 1.092 131 L CA 1.379 55.969 54.840 -0.418 0.000 0.759 131 L CB -0.385 41.388 42.059 -0.476 0.000 0.903 131 L HN 0.455 nan 8.230 nan 0.000 0.435 132 S N -0.284 115.258 115.700 -0.264 0.000 2.469 132 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 132 S C 1.761 176.237 174.600 -0.206 0.000 0.998 132 S CA 0.718 58.786 58.200 -0.220 0.000 0.957 132 S CB -0.247 62.861 63.200 -0.155 0.000 0.764 132 S HN 0.467 nan 8.310 nan 0.000 0.514 133 R N -0.568 119.813 120.500 -0.199 0.000 2.472 133 R HA 0.443 4.783 4.340 -0.000 0.000 0.279 133 R C 1.050 177.243 176.300 -0.179 0.000 0.953 133 R CA 0.128 56.130 56.100 -0.164 0.000 1.088 133 R CB 0.106 30.331 30.300 -0.125 0.000 1.197 133 R HN 0.488 nan 8.270 nan 0.000 0.536 134 M N 0.201 119.651 119.600 -0.249 0.000 2.363 134 M HA 0.216 4.696 4.480 -0.000 0.000 0.243 134 M C 0.583 176.670 176.300 -0.355 0.000 1.364 134 M CA -0.041 55.107 55.300 -0.252 0.000 1.104 134 M CB 0.456 32.910 32.600 -0.243 0.000 1.570 134 M HN -0.009 nan 8.290 nan 0.000 0.564 135 I N 1.344 121.559 120.570 -0.592 0.000 2.906 135 I HA 0.412 4.582 4.170 -0.000 0.000 0.302 135 I C 0.289 176.076 176.117 -0.550 0.000 1.220 135 I CA 0.347 61.037 61.300 -1.017 0.000 1.441 135 I CB -0.468 36.750 38.000 -1.304 0.000 1.336 135 I HN 0.294 nan 8.210 nan 0.000 0.565 136 G N 3.201 111.751 108.800 -0.416 0.000 2.356 136 G HA2 0.476 4.435 3.960 -0.000 0.000 0.300 136 G HA3 0.476 4.435 3.960 -0.000 0.000 0.300 136 G C -0.901 174.215 174.900 0.361 0.000 1.331 136 G CA -0.426 44.743 45.100 0.115 0.000 0.905 136 G HN 1.051 nan 8.290 nan 0.000 0.587 137 G N -0.548 108.580 108.800 0.547 0.000 2.735 137 G HA2 0.875 4.835 3.960 -0.000 0.000 0.301 137 G HA3 0.875 4.835 3.960 -0.000 0.000 0.301 137 G C -2.533 172.526 174.900 0.265 0.000 1.279 137 G CA -1.170 44.240 45.100 0.516 0.000 1.019 137 G HN 0.637 nan 8.290 nan 0.000 0.497 138 P HA 0.277 nan 4.420 nan 0.000 0.275 138 P C -0.286 177.074 177.300 0.100 0.000 1.228 138 P CA -0.301 62.876 63.100 0.127 0.000 0.786 138 P CB 1.436 33.202 31.700 0.109 0.000 0.927 139 V N 3.692 123.650 119.914 0.073 0.000 2.488 139 V HA 0.148 4.268 4.120 -0.000 0.000 0.277 139 V C 0.735 176.861 176.094 0.053 0.000 1.046 139 V CA -0.035 62.298 62.300 0.056 0.000 0.986 139 V CB 0.031 31.878 31.823 0.041 0.000 0.989 139 V HN 0.357 nan 8.190 nan 0.000 0.475 140 L N 7.068 128.323 121.223 0.052 0.000 2.333 140 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 140 L C -2.316 174.582 176.870 0.047 0.000 1.010 140 L CA -1.865 53.004 54.840 0.047 0.000 0.818 140 L CB 2.471 44.556 42.059 0.044 0.000 1.306 140 L HN 0.440 nan 8.230 nan 0.000 0.430 141 P HA 0.119 nan 4.420 nan 0.000 0.287 141 P C -0.584 176.739 177.300 0.037 0.000 1.307 141 P CA -0.303 62.823 63.100 0.042 0.000 0.777 141 P CB 1.552 33.272 31.700 0.033 0.000 0.883 142 S N 2.008 117.738 115.700 0.050 0.000 2.576 142 S HA 0.034 4.504 4.470 -0.000 0.000 0.276 142 S C 1.330 175.930 174.600 0.001 0.000 1.339 142 S CA -0.386 57.833 58.200 0.032 0.000 1.039 142 S CB 0.337 63.577 63.200 0.067 0.000 0.902 142 S HN 0.564 nan 8.310 nan 0.000 0.516 143 E N 2.983 123.164 120.200 -0.032 0.000 2.481 143 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 143 E C -0.056 176.489 176.600 -0.091 0.000 1.047 143 E CA 0.199 56.569 56.400 -0.049 0.000 0.867 143 E CB 0.089 29.759 29.700 -0.050 0.000 0.858 143 E HN 0.507 nan 8.360 nan 0.000 0.513 144 R N 2.019 122.428 120.500 -0.151 0.000 2.294 144 R HA 0.358 4.698 4.340 -0.000 0.000 0.319 144 R C -2.557 173.660 176.300 -0.138 0.000 0.984 144 R CA -2.405 53.523 56.100 -0.287 0.000 0.861 144 R CB 0.804 30.628 30.300 -0.793 0.000 1.104 144 R HN 0.005 nan 8.270 nan 0.000 0.451 145 P HA 0.007 nan 4.420 nan 0.000 0.268 145 P C 0.459 177.782 177.300 0.038 0.000 1.205 145 P CA 0.435 63.533 63.100 -0.005 0.000 0.771 145 P CB 0.692 32.382 31.700 -0.017 0.000 0.858 146 G N 1.098 109.860 108.800 -0.063 0.000 2.249 146 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.273 146 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.273 146 G C -0.381 174.002 174.900 -0.861 0.000 1.036 146 G CA 0.036 44.818 45.100 -0.531 0.000 0.824 146 G HN 0.685 nan 8.290 nan 0.000 0.504 147 H N -0.429 118.428 119.070 -0.356 0.000 2.609 147 H HA 0.695 5.251 4.556 -0.000 0.000 0.344 147 H C 0.349 175.778 175.328 0.169 0.000 1.040 147 H CA 0.262 56.239 56.048 -0.118 0.000 1.216 147 H CB 1.792 31.507 29.762 -0.079 0.000 1.529 147 H HN 0.582 nan 8.280 nan 0.000 0.519 148 A N 2.906 125.942 122.820 0.359 0.000 2.306 148 A HA 0.578 4.898 4.320 -0.000 0.000 0.314 148 A C -1.067 176.607 177.584 0.150 0.000 1.164 148 A CA -0.502 51.681 52.037 0.243 0.000 0.822 148 A CB 0.412 19.519 19.000 0.178 0.000 1.130 148 A HN 0.511 nan 8.150 nan 0.000 0.496 149 L N 3.967 125.255 121.223 0.107 0.000 2.372 149 L HA 0.772 5.112 4.340 -0.000 0.000 0.274 149 L C -0.692 176.211 176.870 0.055 0.000 0.988 149 L CA -0.374 54.510 54.840 0.074 0.000 0.833 149 L CB 1.236 43.334 42.059 0.064 0.000 1.236 149 L HN 0.694 nan 8.230 nan 0.000 0.410 150 I N 0.594 121.189 120.570 0.042 0.000 2.730 150 I HA 0.612 4.782 4.170 -0.000 0.000 0.298 150 I C -1.032 175.099 176.117 0.023 0.000 1.089 150 I CA -0.693 60.631 61.300 0.040 0.000 1.041 150 I CB 2.240 40.264 38.000 0.039 0.000 1.235 150 I HN 0.690 nan 8.210 nan 0.000 0.423 151 E N 4.372 124.598 120.200 0.043 0.000 2.146 151 E HA 0.270 4.620 4.350 -0.000 0.000 0.282 151 E C -1.120 175.493 176.600 0.022 0.000 0.989 151 E CA -0.632 55.772 56.400 0.005 0.000 0.799 151 E CB 1.067 30.810 29.700 0.072 0.000 1.088 151 E HN 0.517 nan 8.360 nan 0.000 0.397 152 Q N 3.463 123.204 119.800 -0.098 0.000 2.274 152 Q HA 0.274 4.613 4.340 -0.000 0.000 0.260 152 Q C -1.321 174.575 176.000 -0.174 0.000 0.974 152 Q CA -0.402 55.383 55.803 -0.030 0.000 0.876 152 Q CB 1.469 30.197 28.738 -0.017 0.000 1.297 152 Q HN 0.510 nan 8.270 nan 0.000 0.446 153 W N 1.731 123.105 121.300 0.123 0.000 2.632 153 W HA 0.454 5.114 4.660 -0.000 0.000 0.328 153 W C 0.163 176.766 176.519 0.139 0.000 1.044 153 W CA -0.422 57.030 57.345 0.178 0.000 1.225 153 W CB 1.343 31.005 29.460 0.337 0.000 1.396 153 W HN 0.352 nan 8.180 nan 0.000 0.499 154 N N 2.361 121.277 118.700 0.359 0.000 2.284 154 N HA 0.426 5.166 4.740 -0.000 0.000 0.289 154 N C -2.870 172.836 175.510 0.327 0.000 1.179 154 N CA -1.860 51.354 53.050 0.274 0.000 0.774 154 N CB 2.300 40.902 38.487 0.192 0.000 1.548 154 N HN -0.121 nan 8.380 nan 0.000 0.473 155 P HA -0.042 nan 4.420 nan 0.000 0.266 155 P C 1.327 178.825 177.300 0.329 0.000 1.195 155 P CA -0.172 63.172 63.100 0.408 0.000 0.768 155 P CB 0.643 32.705 31.700 0.605 0.000 0.838 156 V N 0.642 120.706 119.914 0.251 0.000 2.667 156 V HA 0.171 4.291 4.120 -0.000 0.000 0.252 156 V C 1.225 177.278 176.094 -0.069 0.000 1.065 156 V CA 1.743 64.108 62.300 0.109 0.000 1.083 156 V CB -1.492 30.395 31.823 0.106 0.000 0.692 156 V HN 0.824 nan 8.190 nan 0.000 0.468 157 G N 0.813 109.546 108.800 -0.111 0.000 2.344 157 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 157 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 157 G C -0.594 174.129 174.900 -0.295 0.000 1.293 157 G CA -0.132 44.567 45.100 -0.669 0.000 1.305 157 G HN 1.022 nan 8.290 nan 0.000 0.484 158 L N 1.837 122.942 121.223 -0.197 0.000 2.282 158 L HA 0.820 5.160 4.340 -0.000 0.000 0.288 158 L C -0.136 176.770 176.870 0.060 0.000 1.033 158 L CA -0.872 53.958 54.840 -0.016 0.000 0.807 158 L CB 1.834 43.874 42.059 -0.030 0.000 1.209 158 L HN 0.555 nan 8.230 nan 0.000 0.423 159 V N 5.600 125.593 119.914 0.132 0.000 2.333 159 V HA 0.560 4.680 4.120 -0.000 0.000 0.274 159 V C 0.958 177.155 176.094 0.170 0.000 1.028 159 V CA -0.207 62.190 62.300 0.161 0.000 0.851 159 V CB 0.720 32.685 31.823 0.237 0.000 1.000 159 V HN 0.978 nan 8.190 nan 0.000 0.456 160 G N 5.407 114.304 108.800 0.161 0.000 2.390 160 G HA2 0.621 4.581 3.960 -0.000 0.000 0.270 160 G HA3 0.621 4.581 3.960 -0.000 0.000 0.270 160 G C -0.653 174.376 174.900 0.214 0.000 1.211 160 G CA -0.310 44.909 45.100 0.199 0.000 0.842 160 G HN 0.652 nan 8.290 nan 0.000 0.519 161 I N 2.282 123.014 120.570 0.271 0.000 2.439 161 I HA 0.331 4.501 4.170 -0.000 0.000 0.285 161 I C -0.490 175.831 176.117 0.340 0.000 1.021 161 I CA -0.434 61.029 61.300 0.272 0.000 1.091 161 I CB 2.010 40.160 38.000 0.249 0.000 1.242 161 I HN 0.230 nan 8.210 nan 0.000 0.439 162 I N 5.817 126.520 120.570 0.221 0.000 2.362 162 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 162 I C 0.276 176.370 176.117 -0.038 0.000 0.994 162 I CA -0.255 61.127 61.300 0.137 0.000 1.158 162 I CB 1.936 40.021 38.000 0.143 0.000 1.315 162 I HN 0.593 nan 8.210 nan 0.000 0.451 163 T N 2.650 117.250 114.554 0.076 0.000 2.942 163 T HA 0.853 5.203 4.350 -0.000 0.000 0.289 163 T C -0.081 174.588 174.700 -0.052 0.000 1.044 163 T CA -0.817 61.306 62.100 0.039 0.000 1.023 163 T CB 1.991 71.032 68.868 0.288 0.000 1.123 163 T HN 0.549 nan 8.240 nan 0.000 0.512 164 A N 0.812 123.582 122.820 -0.084 0.000 2.246 164 A HA 0.640 4.960 4.320 -0.000 0.000 0.291 164 A C 0.815 178.373 177.584 -0.042 0.000 1.103 164 A CA -0.796 51.171 52.037 -0.117 0.000 0.844 164 A CB -0.129 18.732 19.000 -0.232 0.000 1.136 164 A HN 1.097 nan 8.150 nan 0.000 0.500 165 F N 0.641 120.558 119.950 -0.055 0.000 2.293 165 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 165 F C 1.754 177.445 175.800 -0.182 0.000 1.089 165 F CA 1.235 59.148 58.000 -0.146 0.000 1.377 165 F CB -0.601 38.219 39.000 -0.300 0.000 1.051 165 F HN 0.528 nan 8.300 nan 0.000 0.511 166 N N 0.512 118.742 118.700 -0.784 0.000 2.331 166 N HA -0.141 4.599 4.740 -0.000 0.000 0.180 166 N C -0.185 175.057 175.510 -0.447 0.000 1.019 166 N CA 0.809 53.528 53.050 -0.551 0.000 0.881 166 N CB -0.773 37.434 38.487 -0.467 0.000 0.972 166 N HN 0.410 nan 8.380 nan 0.000 0.435 167 F N 1.063 120.913 119.950 -0.168 0.000 2.550 167 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 167 F C -1.667 174.084 175.800 -0.081 0.000 1.219 167 F CA -1.992 55.927 58.000 -0.134 0.000 1.203 167 F CB 1.947 40.834 39.000 -0.188 0.000 1.436 167 F HN -0.100 nan 8.300 nan 0.000 0.541 168 P HA -0.066 nan 4.420 nan 0.000 0.229 168 P C 1.211 178.657 177.300 0.243 0.000 1.160 168 P CA 0.997 64.198 63.100 0.167 0.000 0.777 168 P CB 0.769 32.543 31.700 0.124 0.000 0.814 169 V N 0.209 120.201 119.914 0.131 0.000 2.627 169 V HA 0.105 4.225 4.120 -0.000 0.000 0.239 169 V C 2.737 178.775 176.094 -0.092 0.000 1.077 169 V CA 1.508 63.877 62.300 0.115 0.000 1.103 169 V CB -1.326 30.567 31.823 0.115 0.000 0.802 169 V HN 0.015 nan 8.190 nan 0.000 0.482 170 A N 0.128 122.820 122.820 -0.214 0.000 1.898 170 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 170 A C 2.328 179.426 177.584 -0.811 0.000 1.181 170 A CA 1.952 53.610 52.037 -0.631 0.000 0.620 170 A CB -0.616 17.902 19.000 -0.804 0.000 0.819 170 A HN 0.291 nan 8.150 nan 0.000 0.442 171 V N -1.226 118.420 119.914 -0.447 0.000 2.295 171 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 171 V C 2.357 178.331 176.094 -0.200 0.000 1.049 171 V CA 2.164 64.349 62.300 -0.191 0.000 1.024 171 V CB -1.094 30.720 31.823 -0.015 0.000 0.648 171 V HN 0.707 nan 8.190 nan 0.000 0.447 172 Y N 2.018 122.051 120.300 -0.445 0.000 2.114 172 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 172 Y C 2.336 177.787 175.900 -0.749 0.000 1.165 172 Y CA 1.780 59.427 58.100 -0.754 0.000 1.148 172 Y CB -1.045 36.546 38.460 -1.448 0.000 0.972 172 Y HN 0.184 nan 8.280 nan 0.000 0.504 173 G N -0.328 107.806 108.800 -1.111 0.000 2.491 173 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 173 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 173 G C 1.437 175.829 174.900 -0.847 0.000 1.180 173 G CA 0.969 44.987 45.100 -1.802 0.000 0.774 173 G HN 0.533 nan 8.290 nan 0.000 0.562 174 W N 1.457 122.420 121.300 -0.562 0.000 2.342 174 W HA -0.035 4.625 4.660 -0.000 0.000 0.297 174 W C 2.449 178.786 176.519 -0.303 0.000 1.213 174 W CA 1.012 58.156 57.345 -0.334 0.000 1.251 174 W CB -0.690 28.620 29.460 -0.250 0.000 1.136 174 W HN 0.260 nan 8.180 nan 0.000 0.526 175 N N -0.195 118.434 118.700 -0.117 0.000 2.207 175 N HA -0.143 4.597 4.740 -0.000 0.000 0.182 175 N C 1.466 176.792 175.510 -0.306 0.000 1.020 175 N CA 1.209 54.188 53.050 -0.118 0.000 0.858 175 N CB -0.791 37.684 38.487 -0.020 0.000 0.991 175 N HN 0.159 nan 8.380 nan 0.000 0.427 176 N N 1.481 119.836 118.700 -0.576 0.000 2.025 176 N HA -0.128 4.611 4.740 -0.000 0.000 0.194 176 N C 1.706 177.069 175.510 -0.244 0.000 1.044 176 N CA 1.949 54.674 53.050 -0.542 0.000 0.851 176 N CB -0.285 37.639 38.487 -0.938 0.000 1.036 176 N HN 0.185 nan 8.380 nan 0.000 0.422 177 A N 0.602 123.313 122.820 -0.182 0.000 1.892 177 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 177 A C 2.147 179.688 177.584 -0.072 0.000 1.188 177 A CA 1.502 53.522 52.037 -0.028 0.000 0.631 177 A CB -0.776 18.259 19.000 0.058 0.000 0.822 177 A HN 0.379 nan 8.150 nan 0.000 0.447 178 I N -0.286 120.174 120.570 -0.183 0.000 2.193 178 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 178 I C 2.992 178.912 176.117 -0.329 0.000 1.084 178 I CA 1.362 62.487 61.300 -0.292 0.000 1.365 178 I CB -1.769 35.931 38.000 -0.499 0.000 1.064 178 I HN 0.357 nan 8.210 nan 0.000 0.410 179 A N 0.868 123.449 122.820 -0.399 0.000 1.883 179 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 179 A C 2.278 179.938 177.584 0.127 0.000 1.186 179 A CA 1.483 53.468 52.037 -0.086 0.000 0.624 179 A CB -0.882 18.160 19.000 0.070 0.000 0.822 179 A HN 0.302 nan 8.150 nan 0.000 0.444 180 L N -0.216 121.082 121.223 0.125 0.000 2.012 180 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 180 L C 2.726 179.802 176.870 0.344 0.000 1.073 180 L CA 2.500 57.540 54.840 0.333 0.000 0.748 180 L CB -1.325 40.872 42.059 0.230 0.000 0.891 180 L HN 0.393 nan 8.230 nan 0.000 0.431 181 T N -2.016 112.616 114.554 0.130 0.000 2.803 181 T HA -0.213 4.136 4.350 -0.000 0.000 0.269 181 T C 1.689 176.376 174.700 -0.021 0.000 1.052 181 T CA 1.507 63.617 62.100 0.016 0.000 1.136 181 T CB -0.479 68.350 68.868 -0.065 0.000 0.864 181 T HN 0.372 nan 8.240 nan 0.000 0.467 182 C N 1.145 120.475 119.300 0.051 0.000 2.613 182 C HA 0.508 4.968 4.460 -0.000 0.000 0.273 182 C C 2.015 177.100 174.990 0.158 0.000 1.304 182 C CA -0.453 58.621 59.018 0.093 0.000 1.702 182 C CB -1.442 26.414 27.740 0.193 0.000 1.792 182 C HN 0.806 nan 8.230 nan 0.000 0.588 183 G N 2.110 110.996 108.800 0.143 0.000 2.147 183 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 183 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 183 G C -0.272 174.937 174.900 0.515 0.000 1.005 183 G CA -0.087 45.069 45.100 0.094 0.000 0.713 183 G HN 0.552 nan 8.290 nan 0.000 0.515 184 N N -0.577 118.495 118.700 0.619 0.000 2.477 184 N HA 0.653 5.393 4.740 -0.000 0.000 0.284 184 N C 0.390 176.247 175.510 0.579 0.000 1.182 184 N CA 0.204 53.634 53.050 0.634 0.000 0.949 184 N CB 2.166 40.902 38.487 0.416 0.000 1.204 184 N HN 0.644 nan 8.380 nan 0.000 0.526 185 V N -2.036 118.149 119.914 0.452 0.000 2.630 185 V HA 0.632 4.752 4.120 -0.000 0.000 0.305 185 V C -0.026 176.159 176.094 0.153 0.000 1.046 185 V CA -0.811 61.606 62.300 0.196 0.000 0.934 185 V CB 1.038 32.982 31.823 0.201 0.000 1.003 185 V HN 0.601 nan 8.190 nan 0.000 0.451 186 C N 4.196 123.560 119.300 0.108 0.000 2.435 186 C HA 0.792 5.252 4.460 -0.000 0.000 0.333 186 C C -0.109 174.993 174.990 0.186 0.000 1.202 186 C CA -0.581 58.535 59.018 0.163 0.000 1.830 186 C CB 0.830 28.677 27.740 0.179 0.000 2.326 186 C HN 1.014 nan 8.230 nan 0.000 0.507 187 L N 2.607 123.965 121.223 0.225 0.000 2.381 187 L HA 0.612 4.952 4.340 -0.000 0.000 0.274 187 L C -1.602 175.488 176.870 0.365 0.000 0.988 187 L CA -0.071 54.915 54.840 0.244 0.000 0.824 187 L CB 1.008 43.178 42.059 0.184 0.000 1.263 187 L HN 0.812 nan 8.230 nan 0.000 0.410 188 W N 6.747 128.116 121.300 0.115 0.000 2.417 188 W HA 0.427 5.087 4.660 -0.000 0.000 0.315 188 W C -1.067 175.467 176.519 0.025 0.000 1.045 188 W CA -1.283 56.101 57.345 0.065 0.000 1.221 188 W CB 1.248 30.630 29.460 -0.131 0.000 1.309 188 W HN 0.375 nan 8.180 nan 0.000 0.453 189 K N 5.265 125.781 120.400 0.193 0.000 2.464 189 K HA 0.479 4.799 4.320 -0.000 0.000 0.252 189 K C 0.374 176.885 176.600 -0.148 0.000 1.000 189 K CA -0.379 55.862 56.287 -0.076 0.000 0.951 189 K CB 0.393 32.914 32.500 0.036 0.000 1.183 189 K HN 0.711 nan 8.250 nan 0.000 0.445 190 G N 1.878 110.337 108.800 -0.569 0.000 2.634 190 G HA2 0.372 4.332 3.960 -0.000 0.000 0.255 190 G HA3 0.372 4.332 3.960 -0.000 0.000 0.255 190 G C -0.362 174.472 174.900 -0.109 0.000 1.205 190 G CA -0.553 44.356 45.100 -0.318 0.000 0.884 190 G HN 0.730 nan 8.290 nan 0.000 0.549 191 A N 1.046 123.866 122.820 0.001 0.000 2.531 191 A HA 0.407 4.727 4.320 -0.000 0.000 0.236 191 A C -0.813 176.790 177.584 0.030 0.000 1.062 191 A CA -0.553 51.516 52.037 0.053 0.000 0.760 191 A CB 0.295 19.381 19.000 0.143 0.000 0.995 191 A HN 0.425 nan 8.150 nan 0.000 0.501 192 P HA -0.140 nan 4.420 nan 0.000 0.218 192 P C 1.374 178.700 177.300 0.043 0.000 1.148 192 P CA 2.086 65.200 63.100 0.024 0.000 0.822 192 P CB -0.017 31.705 31.700 0.036 0.000 0.784 193 T N -5.616 108.998 114.554 0.100 0.000 3.129 193 T HA 0.037 4.387 4.350 -0.000 0.000 0.251 193 T C 0.935 175.732 174.700 0.162 0.000 1.117 193 T CA 0.880 63.062 62.100 0.136 0.000 1.034 193 T CB -1.005 67.997 68.868 0.224 0.000 0.968 193 T HN 0.170 nan 8.240 nan 0.000 0.526 194 T N -0.866 113.757 114.554 0.115 0.000 3.448 194 T HA 0.395 4.745 4.350 -0.000 0.000 0.271 194 T C -1.711 172.982 174.700 -0.012 0.000 1.002 194 T CA -1.097 61.051 62.100 0.080 0.000 0.995 194 T CB 0.970 69.903 68.868 0.109 0.000 1.153 194 T HN 0.055 nan 8.240 nan 0.000 0.510 195 P HA 0.058 nan 4.420 nan 0.000 0.221 195 P C 1.620 178.865 177.300 -0.092 0.000 1.150 195 P CA 0.344 63.382 63.100 -0.103 0.000 0.800 195 P CB 0.164 31.816 31.700 -0.081 0.000 0.787 196 L N -0.516 120.674 121.223 -0.056 0.000 2.046 196 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 196 L C 2.575 179.435 176.870 -0.017 0.000 1.077 196 L CA 1.932 56.745 54.840 -0.045 0.000 0.747 196 L CB -1.754 40.276 42.059 -0.048 0.000 0.896 196 L HN 0.003 nan 8.230 nan 0.000 0.432 197 T N -1.065 113.493 114.554 0.007 0.000 2.746 197 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 197 T C 2.166 176.899 174.700 0.055 0.000 1.039 197 T CA 1.556 63.691 62.100 0.057 0.000 1.142 197 T CB -0.107 68.815 68.868 0.089 0.000 0.866 197 T HN 0.266 nan 8.240 nan 0.000 0.444 198 S N 0.972 116.607 115.700 -0.109 0.000 2.353 198 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 198 S C 2.343 176.834 174.600 -0.182 0.000 1.035 198 S CA 1.020 58.954 58.200 -0.444 0.000 1.025 198 S CB -0.603 62.099 63.200 -0.830 0.000 0.902 198 S HN 0.277 nan 8.310 nan 0.000 0.440 199 V N 2.105 121.969 119.914 -0.082 0.000 2.295 199 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 199 V C 2.659 178.810 176.094 0.093 0.000 1.049 199 V CA 1.744 64.079 62.300 0.058 0.000 1.024 199 V CB -1.293 30.544 31.823 0.022 0.000 0.648 199 V HN 0.546 nan 8.190 nan 0.000 0.447 200 A N -0.235 122.618 122.820 0.055 0.000 1.883 200 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 200 A C 2.411 180.067 177.584 0.121 0.000 1.186 200 A CA 2.278 54.353 52.037 0.064 0.000 0.624 200 A CB -0.783 18.256 19.000 0.064 0.000 0.822 200 A HN 0.328 nan 8.150 nan 0.000 0.444 201 V N -0.226 119.805 119.914 0.194 0.000 2.261 201 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 201 V C 2.765 179.023 176.094 0.273 0.000 1.047 201 V CA 2.560 65.024 62.300 0.275 0.000 1.015 201 V CB -1.397 30.701 31.823 0.457 0.000 0.642 201 V HN 0.625 nan 8.190 nan 0.000 0.446 202 T N -0.648 114.086 114.554 0.300 0.000 2.699 202 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 202 T C 1.954 176.764 174.700 0.184 0.000 1.036 202 T CA 1.841 64.082 62.100 0.236 0.000 1.147 202 T CB -0.257 68.724 68.868 0.189 0.000 0.862 202 T HN 0.411 nan 8.240 nan 0.000 0.446 203 K N 0.329 120.882 120.400 0.255 0.000 2.026 203 K HA -0.007 4.313 4.320 -0.000 0.000 0.208 203 K C 2.195 178.845 176.600 0.082 0.000 1.048 203 K CA 1.202 57.595 56.287 0.176 0.000 0.929 203 K CB -0.308 32.194 32.500 0.003 0.000 0.713 203 K HN 0.318 nan 8.250 nan 0.000 0.439 204 I N 0.202 120.815 120.570 0.072 0.000 2.179 204 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 204 I C 2.103 178.240 176.117 0.034 0.000 1.088 204 I CA 1.092 62.414 61.300 0.037 0.000 1.357 204 I CB -0.231 37.781 38.000 0.019 0.000 1.051 204 I HN -0.037 nan 8.210 nan 0.000 0.409 205 V N 0.923 120.876 119.914 0.066 0.000 2.307 205 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 205 V C 2.731 178.849 176.094 0.041 0.000 1.045 205 V CA 1.915 64.257 62.300 0.069 0.000 1.024 205 V CB -1.133 30.787 31.823 0.161 0.000 0.651 205 V HN 0.499 nan 8.190 nan 0.000 0.449 206 A N -0.383 122.433 122.820 -0.006 0.000 1.892 206 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 206 A C 2.295 179.898 177.584 0.031 0.000 1.188 206 A CA 2.305 54.299 52.037 -0.071 0.000 0.631 206 A CB -0.612 18.112 19.000 -0.460 0.000 0.822 206 A HN 0.631 nan 8.150 nan 0.000 0.447 207 E N -0.387 119.836 120.200 0.038 0.000 2.085 207 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 207 E C 1.937 178.564 176.600 0.044 0.000 0.994 207 E CA 1.492 57.921 56.400 0.049 0.000 0.801 207 E CB -0.138 29.582 29.700 0.034 0.000 0.743 207 E HN 0.362 nan 8.360 nan 0.000 0.453 208 V N 1.310 121.244 119.914 0.033 0.000 2.295 208 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 208 V C 2.472 178.590 176.094 0.040 0.000 1.049 208 V CA 1.533 63.851 62.300 0.030 0.000 1.024 208 V CB -0.464 31.370 31.823 0.017 0.000 0.648 208 V HN 0.335 nan 8.190 nan 0.000 0.447 209 L N -0.351 120.896 121.223 0.040 0.000 2.042 209 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 209 L C 2.594 179.500 176.870 0.059 0.000 1.076 209 L CA 1.870 56.733 54.840 0.039 0.000 0.749 209 L CB -0.627 41.450 42.059 0.029 0.000 0.893 209 L HN 0.402 nan 8.230 nan 0.000 0.432 210 E N -0.697 119.549 120.200 0.076 0.000 2.072 210 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 210 E C 2.280 178.917 176.600 0.063 0.000 0.985 210 E CA 0.713 57.161 56.400 0.081 0.000 0.801 210 E CB -0.027 29.737 29.700 0.107 0.000 0.750 210 E HN 0.425 nan 8.360 nan 0.000 0.452 211 Q N 0.598 120.431 119.800 0.054 0.000 2.152 211 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 211 Q C 1.239 177.266 176.000 0.044 0.000 0.985 211 Q CA 1.037 56.866 55.803 0.043 0.000 0.863 211 Q CB -0.314 28.445 28.738 0.036 0.000 0.904 211 Q HN 0.345 nan 8.270 nan 0.000 0.422 212 N N 0.972 119.703 118.700 0.051 0.000 2.313 212 N HA -0.003 4.737 4.740 -0.000 0.000 0.207 212 N C -0.695 174.852 175.510 0.061 0.000 1.141 212 N CA -0.025 53.059 53.050 0.057 0.000 0.830 212 N CB 0.121 38.651 38.487 0.072 0.000 1.008 212 N HN 0.228 nan 8.380 nan 0.000 0.481 213 N N 0.569 119.303 118.700 0.055 0.000 2.714 213 N HA -0.189 4.551 4.740 -0.000 0.000 0.252 213 N C -1.167 174.380 175.510 0.061 0.000 1.014 213 N CA 0.582 53.664 53.050 0.053 0.000 0.735 213 N CB -1.374 37.139 38.487 0.044 0.000 0.924 213 N HN 0.350 nan 8.380 nan 0.000 0.540 214 L N -0.015 121.246 121.223 0.065 0.000 2.334 214 L HA 0.613 4.953 4.340 -0.000 0.000 0.273 214 L C -1.768 175.122 176.870 0.035 0.000 1.013 214 L CA -2.185 52.694 54.840 0.066 0.000 0.816 214 L CB 1.331 43.435 42.059 0.075 0.000 1.278 214 L HN -0.095 nan 8.230 nan 0.000 0.431 215 P HA -0.001 nan 4.420 nan 0.000 0.267 215 P C 0.675 177.951 177.300 -0.040 0.000 1.209 215 P CA 0.004 63.097 63.100 -0.011 0.000 0.763 215 P CB 0.929 32.623 31.700 -0.010 0.000 0.816 216 G N 3.378 112.157 108.800 -0.034 0.000 2.479 216 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 216 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 216 G C 1.439 176.274 174.900 -0.109 0.000 1.115 216 G CA 0.666 45.773 45.100 0.012 0.000 0.757 216 G HN 0.599 nan 8.290 nan 0.000 0.560 217 A N 0.324 123.028 122.820 -0.193 0.000 2.216 217 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 217 A C 2.181 179.705 177.584 -0.100 0.000 1.160 217 A CA 0.527 52.456 52.037 -0.180 0.000 0.725 217 A CB -0.290 18.617 19.000 -0.154 0.000 0.784 217 A HN 0.409 nan 8.150 nan 0.000 0.472 218 I N -1.175 119.314 120.570 -0.135 0.000 2.361 218 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 218 I C 0.317 176.345 176.117 -0.148 0.000 1.133 218 I CA 0.649 61.801 61.300 -0.246 0.000 1.413 218 I CB -0.047 37.605 38.000 -0.581 0.000 1.073 218 I HN 0.292 nan 8.210 nan 0.000 0.424 219 C N 0.873 120.155 119.300 -0.030 0.000 3.169 219 C HA 0.371 4.831 4.460 -0.000 0.000 0.232 219 C C 0.666 175.769 174.990 0.188 0.000 1.316 219 C CA -0.879 58.209 59.018 0.117 0.000 1.545 219 C CB -0.807 27.029 27.740 0.160 0.000 1.785 219 C HN 0.173 nan 8.230 nan 0.000 0.454 220 S N 2.296 118.069 115.700 0.122 0.000 2.592 220 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 220 S C -0.234 174.464 174.600 0.163 0.000 1.326 220 S CA -0.111 58.136 58.200 0.078 0.000 1.024 220 S CB 0.923 64.114 63.200 -0.016 0.000 0.921 220 S HN 0.798 nan 8.310 nan 0.000 0.527 221 M N 2.809 122.465 119.600 0.093 0.000 2.326 221 M HA 0.411 4.891 4.480 -0.000 0.000 0.292 221 M C -1.540 174.763 176.300 0.005 0.000 1.081 221 M CA -0.432 54.903 55.300 0.057 0.000 0.919 221 M CB 1.921 34.519 32.600 -0.004 0.000 1.634 221 M HN 0.720 nan 8.290 nan 0.000 0.451 222 T N 1.529 116.088 114.554 0.008 0.000 2.930 222 T HA 0.525 4.875 4.350 -0.000 0.000 0.313 222 T C -0.434 174.242 174.700 -0.040 0.000 1.019 222 T CA -0.614 61.500 62.100 0.023 0.000 1.004 222 T CB 0.051 68.997 68.868 0.131 0.000 0.987 222 T HN 0.750 nan 8.240 nan 0.000 0.456 223 C N 2.956 122.211 119.300 -0.075 0.000 2.652 223 C HA 0.938 5.398 4.460 -0.000 0.000 0.412 223 C C 1.425 176.383 174.990 -0.053 0.000 1.294 223 C CA 0.440 59.393 59.018 -0.108 0.000 2.127 223 C CB -0.242 27.432 27.740 -0.110 0.000 2.691 223 C HN 1.373 nan 8.230 nan 0.000 0.615 224 G N 1.022 109.789 108.800 -0.055 0.000 2.315 224 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 224 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 224 G C -0.505 174.384 174.900 -0.020 0.000 1.300 224 G CA 0.009 45.091 45.100 -0.030 0.000 0.843 224 G HN 1.020 nan 8.290 nan 0.000 0.527 225 G N -1.113 107.682 108.800 -0.009 0.000 2.773 225 G HA2 0.645 4.605 3.960 -0.000 0.000 0.186 225 G HA3 0.645 4.605 3.960 -0.000 0.000 0.186 225 G C 1.621 176.527 174.900 0.010 0.000 1.411 225 G CA 0.896 46.001 45.100 0.008 0.000 1.054 225 G HN 1.689 nan 8.290 nan 0.000 0.579 226 A N 0.259 123.091 122.820 0.021 0.000 1.908 226 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 226 A C 2.086 179.662 177.584 -0.014 0.000 1.181 226 A CA 2.553 54.602 52.037 0.019 0.000 0.627 226 A CB -0.966 18.049 19.000 0.025 0.000 0.818 226 A HN 0.739 nan 8.150 nan 0.000 0.445 227 D N 0.960 121.347 120.400 -0.022 0.000 2.355 227 D HA -0.270 4.370 4.640 -0.000 0.000 0.192 227 D C 1.579 177.821 176.300 -0.096 0.000 1.014 227 D CA 2.274 56.247 54.000 -0.045 0.000 0.862 227 D CB -0.888 39.893 40.800 -0.031 0.000 0.986 227 D HN 0.356 nan 8.370 nan 0.000 0.456 228 I N 1.079 121.580 120.570 -0.115 0.000 2.286 228 I HA -0.010 4.160 4.170 -0.000 0.000 0.245 228 I C 2.892 178.869 176.117 -0.233 0.000 1.104 228 I CA 1.302 62.463 61.300 -0.233 0.000 1.397 228 I CB -1.913 35.988 38.000 -0.165 0.000 1.072 228 I HN 0.294 nan 8.210 nan 0.000 0.417 229 G N 0.723 109.469 108.800 -0.090 0.000 2.469 229 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 229 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 229 G C 1.684 176.563 174.900 -0.035 0.000 1.150 229 G CA 1.652 46.744 45.100 -0.013 0.000 0.763 229 G HN 0.344 nan 8.290 nan 0.000 0.561 230 T N 1.464 115.980 114.554 -0.063 0.000 2.777 230 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 230 T C 2.843 177.488 174.700 -0.092 0.000 1.040 230 T CA 1.410 63.471 62.100 -0.065 0.000 1.141 230 T CB -0.386 68.449 68.868 -0.054 0.000 0.868 230 T HN 0.393 nan 8.240 nan 0.000 0.444 231 A N 1.490 124.208 122.820 -0.171 0.000 1.908 231 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 231 A C 2.333 179.827 177.584 -0.150 0.000 1.181 231 A CA 1.756 53.663 52.037 -0.215 0.000 0.627 231 A CB -0.748 17.973 19.000 -0.464 0.000 0.818 231 A HN 0.460 nan 8.150 nan 0.000 0.445 232 M N -0.650 118.835 119.600 -0.193 0.000 2.086 232 M HA -0.162 4.317 4.480 -0.000 0.000 0.261 232 M C 2.534 178.865 176.300 0.053 0.000 1.067 232 M CA 1.555 56.871 55.300 0.028 0.000 1.116 232 M CB -0.418 32.218 32.600 0.060 0.000 1.348 232 M HN 0.474 nan 8.290 nan 0.000 0.407 233 A N 0.246 123.073 122.820 0.011 0.000 1.978 233 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 233 A C 2.066 179.647 177.584 -0.005 0.000 1.170 233 A CA 1.697 53.734 52.037 -0.001 0.000 0.636 233 A CB -0.483 18.494 19.000 -0.038 0.000 0.810 233 A HN 0.467 nan 8.150 nan 0.000 0.448 234 K N -0.571 119.828 120.400 -0.003 0.000 2.356 234 K HA 0.012 4.332 4.320 -0.000 0.000 0.195 234 K C -0.215 176.404 176.600 0.032 0.000 1.037 234 K CA 0.048 56.336 56.287 0.002 0.000 1.014 234 K CB 0.141 32.638 32.500 -0.006 0.000 0.815 234 K HN 0.294 nan 8.250 nan 0.000 0.507 235 D N 2.334 122.773 120.400 0.066 0.000 2.346 235 D HA -0.022 4.618 4.640 -0.000 0.000 0.260 235 D C 0.542 176.882 176.300 0.066 0.000 1.252 235 D CA 0.374 54.433 54.000 0.098 0.000 0.895 235 D CB 0.841 41.757 40.800 0.194 0.000 1.097 235 D HN 0.097 nan 8.370 nan 0.000 0.489 236 E N 2.618 122.847 120.200 0.047 0.000 2.265 236 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 236 E C 1.409 178.020 176.600 0.018 0.000 0.996 236 E CA 0.639 57.059 56.400 0.033 0.000 0.832 236 E CB 0.308 30.026 29.700 0.029 0.000 0.756 236 E HN 0.425 nan 8.360 nan 0.000 0.491 237 R N 0.361 120.873 120.500 0.019 0.000 2.236 237 R HA 0.030 4.370 4.340 -0.000 0.000 0.208 237 R C 0.446 176.741 176.300 -0.009 0.000 1.036 237 R CA 0.114 56.208 56.100 -0.010 0.000 1.001 237 R CB 0.331 30.619 30.300 -0.019 0.000 0.896 237 R HN -0.085 nan 8.270 nan 0.000 0.464 238 V N 2.676 122.610 119.914 0.034 0.000 2.387 238 V HA -0.029 4.091 4.120 -0.000 0.000 0.260 238 V C 0.578 176.686 176.094 0.024 0.000 1.054 238 V CA 0.295 62.623 62.300 0.047 0.000 0.967 238 V CB 1.058 32.940 31.823 0.099 0.000 1.036 238 V HN 0.196 nan 8.190 nan 0.000 0.481 239 D N 3.344 123.742 120.400 -0.003 0.000 2.162 239 D HA 0.027 4.667 4.640 -0.000 0.000 0.203 239 D C 0.385 176.694 176.300 0.015 0.000 0.967 239 D CA 1.015 55.008 54.000 -0.013 0.000 0.840 239 D CB 0.650 41.415 40.800 -0.059 0.000 0.972 239 D HN 0.390 nan 8.370 nan 0.000 0.482 240 L N 0.717 121.959 121.223 0.032 0.000 2.438 240 L HA 0.394 4.734 4.340 -0.000 0.000 0.270 240 L C -1.772 175.129 176.870 0.051 0.000 0.972 240 L CA -0.902 53.953 54.840 0.025 0.000 0.831 240 L CB 2.207 44.267 42.059 0.001 0.000 1.273 240 L HN -0.264 nan 8.230 nan 0.000 0.405 241 L N 4.007 125.258 121.223 0.048 0.000 2.280 241 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 241 L C -0.310 176.614 176.870 0.091 0.000 1.023 241 L CA 0.320 55.213 54.840 0.089 0.000 0.819 241 L CB 1.426 43.540 42.059 0.092 0.000 1.212 241 L HN 0.733 nan 8.230 nan 0.000 0.420 242 S N 5.554 121.326 115.700 0.119 0.000 2.422 242 S HA 0.495 4.965 4.470 -0.000 0.000 0.298 242 S C -0.870 173.845 174.600 0.193 0.000 1.118 242 S CA -0.413 57.859 58.200 0.120 0.000 1.083 242 S CB -0.066 63.201 63.200 0.112 0.000 0.971 242 S HN 0.461 nan 8.310 nan 0.000 0.478 243 F N 4.446 124.421 119.950 0.042 0.000 2.449 243 F HA 0.504 5.031 4.527 -0.000 0.000 0.342 243 F C -0.206 175.621 175.800 0.046 0.000 1.127 243 F CA -0.272 57.755 58.000 0.045 0.000 0.975 243 F CB 1.726 40.734 39.000 0.015 0.000 1.146 243 F HN 0.418 nan 8.300 nan 0.000 0.444 244 T N 4.932 119.201 114.554 -0.474 0.000 2.772 244 T HA 0.772 5.122 4.350 -0.000 0.000 0.288 244 T C -0.041 174.261 174.700 -0.663 0.000 0.994 244 T CA -0.323 61.583 62.100 -0.323 0.000 0.951 244 T CB 1.050 69.849 68.868 -0.114 0.000 0.933 244 T HN 1.035 nan 8.240 nan 0.000 0.447 245 G N 1.750 110.357 108.800 -0.322 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 -0.553 174.386 174.900 0.064 0.000 1.261 245 G CA -0.451 44.535 45.100 -0.189 0.000 0.871 245 G HN 0.847 nan 8.290 nan 0.000 0.491 246 S N -1.028 114.684 115.700 0.021 0.000 2.568 246 S HA 0.345 4.815 4.470 -0.000 0.000 0.282 246 S C 1.506 176.093 174.600 -0.022 0.000 1.338 246 S CA 1.202 59.359 58.200 -0.071 0.000 1.045 246 S CB 1.427 64.454 63.200 -0.287 0.000 0.873 246 S HN 1.646 nan 8.310 nan 0.000 0.516 247 T N 0.846 115.415 114.554 0.027 0.000 2.915 247 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 247 T C 1.588 176.298 174.700 0.017 0.000 1.071 247 T CA 1.818 63.948 62.100 0.049 0.000 1.132 247 T CB -0.868 68.075 68.868 0.125 0.000 0.878 247 T HN 0.968 nan 8.240 nan 0.000 0.479 248 H N -0.373 118.721 119.070 0.041 0.000 2.395 248 H HA 0.175 4.731 4.556 -0.000 0.000 0.299 248 H C 2.116 177.427 175.328 -0.029 0.000 1.070 248 H CA 1.265 57.319 56.048 0.011 0.000 1.356 248 H CB -0.696 29.086 29.762 0.034 0.000 1.401 248 H HN 0.258 nan 8.280 nan 0.000 0.524 249 V N 1.260 120.921 119.914 -0.421 0.000 2.379 249 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 249 V C 2.837 178.663 176.094 -0.448 0.000 1.044 249 V CA 1.712 63.849 62.300 -0.272 0.000 1.036 249 V CB -1.096 30.658 31.823 -0.116 0.000 0.664 249 V HN 0.768 nan 8.190 nan 0.000 0.453 250 G N -0.109 108.396 108.800 -0.491 0.000 2.505 250 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.220 250 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.220 250 G C 1.638 176.279 174.900 -0.431 0.000 1.145 250 G CA 1.394 46.087 45.100 -0.679 0.000 0.761 250 G HN 0.494 nan 8.290 nan 0.000 0.571 251 K N -0.337 119.909 120.400 -0.257 0.000 2.009 251 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 251 K C 2.673 179.162 176.600 -0.186 0.000 1.049 251 K CA 1.522 57.695 56.287 -0.191 0.000 0.929 251 K CB -0.251 32.172 32.500 -0.128 0.000 0.714 251 K HN 0.339 nan 8.250 nan 0.000 0.440 252 M N 0.197 119.690 119.600 -0.177 0.000 2.082 252 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 252 M C 2.176 178.366 176.300 -0.184 0.000 1.069 252 M CA 1.596 56.806 55.300 -0.148 0.000 1.102 252 M CB -0.209 32.321 32.600 -0.116 0.000 1.336 252 M HN 0.014 nan 8.290 nan 0.000 0.404 253 V N 0.132 119.873 119.914 -0.288 0.000 2.295 253 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 253 V C 2.591 178.556 176.094 -0.215 0.000 1.049 253 V CA 2.005 64.131 62.300 -0.289 0.000 1.024 253 V CB -1.216 30.291 31.823 -0.527 0.000 0.648 253 V HN 0.553 nan 8.190 nan 0.000 0.447 254 A N -0.354 122.325 122.820 -0.234 0.000 1.873 254 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 254 A C 2.233 179.735 177.584 -0.137 0.000 1.193 254 A CA 2.346 54.285 52.037 -0.164 0.000 0.629 254 A CB -0.547 18.356 19.000 -0.161 0.000 0.826 254 A HN 0.414 nan 8.150 nan 0.000 0.447 255 M N -1.158 118.359 119.600 -0.137 0.000 2.149 255 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 255 M C 2.326 178.555 176.300 -0.118 0.000 1.064 255 M CA 1.535 56.763 55.300 -0.121 0.000 1.102 255 M CB -1.187 31.349 32.600 -0.107 0.000 1.369 255 M HN 0.478 nan 8.290 nan 0.000 0.408 256 M N -0.857 118.676 119.600 -0.110 0.000 2.132 256 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 256 M C 2.175 178.421 176.300 -0.089 0.000 1.065 256 M CA 1.161 56.405 55.300 -0.093 0.000 1.122 256 M CB -0.352 32.200 32.600 -0.081 0.000 1.365 256 M HN 0.039 nan 8.290 nan 0.000 0.411 257 V N -0.114 119.747 119.914 -0.089 0.000 2.358 257 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 257 V C 2.281 178.314 176.094 -0.102 0.000 1.047 257 V CA 1.772 64.030 62.300 -0.070 0.000 1.035 257 V CB -0.686 31.106 31.823 -0.052 0.000 0.658 257 V HN 0.434 nan 8.190 nan 0.000 0.452 258 Q N 0.363 120.080 119.800 -0.138 0.000 2.096 258 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 258 Q C 2.241 178.030 176.000 -0.352 0.000 0.982 258 Q CA 1.798 57.474 55.803 -0.211 0.000 0.850 258 Q CB -0.480 28.148 28.738 -0.183 0.000 0.901 258 Q HN 0.559 nan 8.270 nan 0.000 0.422 259 E N 0.503 120.548 120.200 -0.258 0.000 2.130 259 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 259 E C 1.168 177.607 176.600 -0.270 0.000 0.998 259 E CA 1.648 57.894 56.400 -0.256 0.000 0.806 259 E CB -0.000 29.613 29.700 -0.144 0.000 0.738 259 E HN 0.601 nan 8.360 nan 0.000 0.459 260 R N -1.475 118.923 120.500 -0.171 0.000 2.466 260 R HA 0.131 4.471 4.340 -0.000 0.000 0.279 260 R C 0.022 176.368 176.300 0.075 0.000 0.976 260 R CA -0.185 55.891 56.100 -0.039 0.000 1.081 260 R CB -0.573 29.727 30.300 0.000 0.000 1.215 260 R HN -0.156 nan 8.270 nan 0.000 0.546 261 F N 0.551 120.491 119.950 -0.017 0.000 3.090 261 F HA -0.234 4.293 4.527 -0.000 0.000 0.282 261 F C 0.955 176.744 175.800 -0.018 0.000 0.923 261 F CA 1.051 59.041 58.000 -0.018 0.000 0.977 261 F CB -1.626 37.364 39.000 -0.017 0.000 0.954 261 F HN 0.438 nan 8.300 nan 0.000 0.695 262 G N 0.241 109.097 108.800 0.093 0.000 2.562 262 G HA2 0.580 4.540 3.960 -0.000 0.000 0.275 262 G HA3 0.580 4.540 3.960 -0.000 0.000 0.275 262 G C -0.019 174.907 174.900 0.044 0.000 1.196 262 G CA -0.973 44.163 45.100 0.060 0.000 0.908 262 G HN 0.247 nan 8.290 nan 0.000 0.524 263 R N 0.021 120.539 120.500 0.030 0.000 2.410 263 R HA 0.386 4.726 4.340 -0.000 0.000 0.288 263 R C 0.152 176.448 176.300 -0.006 0.000 1.051 263 R CA -0.368 55.738 56.100 0.011 0.000 1.021 263 R CB 1.200 31.503 30.300 0.005 0.000 1.032 263 R HN 0.673 nan 8.270 nan 0.000 0.481 264 K N 2.436 122.823 120.400 -0.021 0.000 2.435 264 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 264 K C -1.410 175.164 176.600 -0.043 0.000 0.954 264 K CA -0.852 55.422 56.287 -0.022 0.000 0.820 264 K CB 1.949 34.435 32.500 -0.024 0.000 1.292 264 K HN 0.441 nan 8.250 nan 0.000 0.436 265 L N 3.683 124.889 121.223 -0.029 0.000 2.372 265 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 265 L C -1.674 175.218 176.870 0.037 0.000 0.989 265 L CA -0.796 54.020 54.840 -0.039 0.000 0.841 265 L CB 1.072 43.066 42.059 -0.108 0.000 1.225 265 L HN 0.626 nan 8.230 nan 0.000 0.414 266 L N 5.004 126.246 121.223 0.030 0.000 2.287 266 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 266 L C -0.397 176.518 176.870 0.075 0.000 1.022 266 L CA -0.523 54.365 54.840 0.081 0.000 0.814 266 L CB 1.546 43.622 42.059 0.029 0.000 1.217 266 L HN 0.519 nan 8.230 nan 0.000 0.420 267 E N 5.727 126.006 120.200 0.131 0.000 2.593 267 E HA 0.415 4.765 4.350 -0.000 0.000 0.232 267 E C -0.548 176.123 176.600 0.119 0.000 1.026 267 E CA -0.118 56.344 56.400 0.103 0.000 0.772 267 E CB 1.703 31.479 29.700 0.127 0.000 1.310 267 E HN 0.535 nan 8.360 nan 0.000 0.413 268 L N -0.489 120.792 121.223 0.097 0.000 2.836 268 L HA 0.620 4.960 4.340 -0.000 0.000 0.216 268 L C 1.247 178.166 176.870 0.082 0.000 1.861 268 L CA -1.171 53.733 54.840 0.106 0.000 2.145 268 L CB -0.133 41.984 42.059 0.097 0.000 2.671 268 L HN 0.298 nan 8.230 nan 0.000 0.594 269 G N -1.208 107.645 108.800 0.089 0.000 2.606 269 G HA2 0.473 4.433 3.960 -0.000 0.000 0.252 269 G HA3 0.473 4.433 3.960 -0.000 0.000 0.252 269 G C -0.497 174.473 174.900 0.117 0.000 1.206 269 G CA 0.154 45.317 45.100 0.105 0.000 0.861 269 G HN 0.691 nan 8.290 nan 0.000 0.561 270 G N -0.777 108.116 108.800 0.155 0.000 2.563 270 G HA2 0.440 4.400 3.960 -0.000 0.000 0.302 270 G HA3 0.440 4.400 3.960 -0.000 0.000 0.302 270 G C -0.940 174.057 174.900 0.162 0.000 1.301 270 G CA -0.589 44.596 45.100 0.141 0.000 0.965 270 G HN 0.575 nan 8.290 nan 0.000 0.480 271 N N 0.789 119.564 118.700 0.125 0.000 2.733 271 N HA 0.110 4.850 4.740 -0.000 0.000 0.271 271 N C -0.789 174.800 175.510 0.131 0.000 1.720 271 N CA -0.532 52.598 53.050 0.134 0.000 0.803 271 N CB 0.256 38.793 38.487 0.083 0.000 1.208 271 N HN 0.437 nan 8.380 nan 0.000 0.498 272 N N 0.651 119.444 118.700 0.155 0.000 2.488 272 N HA 0.327 5.067 4.740 -0.000 0.000 0.274 272 N C -0.417 175.195 175.510 0.170 0.000 1.111 272 N CA -0.056 53.085 53.050 0.152 0.000 0.974 272 N CB 1.748 40.330 38.487 0.157 0.000 1.089 272 N HN 0.358 nan 8.380 nan 0.000 0.465 273 A N 2.777 125.703 122.820 0.177 0.000 2.330 273 A HA 0.613 4.933 4.320 -0.000 0.000 0.327 273 A C -0.039 177.661 177.584 0.193 0.000 1.155 273 A CA -0.695 51.453 52.037 0.184 0.000 0.803 273 A CB 0.660 19.770 19.000 0.184 0.000 1.208 273 A HN 0.670 nan 8.150 nan 0.000 0.477 274 I N 2.887 123.564 120.570 0.178 0.000 2.354 274 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 274 I C -0.746 175.448 176.117 0.128 0.000 0.989 274 I CA -0.263 61.154 61.300 0.194 0.000 1.188 274 I CB 1.430 39.548 38.000 0.197 0.000 1.342 274 I HN 0.499 nan 8.210 nan 0.000 0.457 275 I N 7.092 127.711 120.570 0.081 0.000 2.355 275 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 275 I C -0.529 175.630 176.117 0.070 0.000 0.999 275 I CA -0.742 60.528 61.300 -0.050 0.000 1.163 275 I CB 1.675 39.497 38.000 -0.295 0.000 1.316 275 I HN 0.162 nan 8.210 nan 0.000 0.454 276 V N 7.052 127.031 119.914 0.108 0.000 2.347 276 V HA 0.364 4.484 4.120 -0.000 0.000 0.280 276 V C -0.041 176.136 176.094 0.140 0.000 1.021 276 V CA -0.399 62.000 62.300 0.165 0.000 0.847 276 V CB 0.793 32.657 31.823 0.069 0.000 0.990 276 V HN 0.388 nan 8.190 nan 0.000 0.444 277 F N 1.694 121.783 119.950 0.232 0.000 2.368 277 F HA 0.293 4.820 4.527 -0.000 0.000 0.315 277 F C 1.724 177.515 175.800 -0.013 0.000 1.145 277 F CA -0.229 57.858 58.000 0.145 0.000 1.095 277 F CB 0.765 39.812 39.000 0.080 0.000 1.286 277 F HN 0.556 nan 8.300 nan 0.000 0.530 278 E N 0.447 120.644 120.200 -0.005 0.000 2.085 278 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 278 E C 1.163 177.769 176.600 0.011 0.000 0.994 278 E CA 1.729 58.071 56.400 -0.097 0.000 0.801 278 E CB -0.091 29.435 29.700 -0.291 0.000 0.743 278 E HN 0.680 nan 8.360 nan 0.000 0.453 279 D N -0.127 120.299 120.400 0.043 0.000 2.319 279 D HA 0.070 4.710 4.640 -0.000 0.000 0.230 279 D C -0.028 176.318 176.300 0.077 0.000 1.094 279 D CA 0.100 54.124 54.000 0.041 0.000 0.856 279 D CB -0.113 40.696 40.800 0.014 0.000 0.915 279 D HN 0.163 nan 8.370 nan 0.000 0.517 280 A N 0.543 123.437 122.820 0.123 0.000 2.407 280 A HA 0.179 4.499 4.320 -0.000 0.000 0.248 280 A C 0.189 177.842 177.584 0.115 0.000 1.082 280 A CA -0.400 51.733 52.037 0.159 0.000 0.785 280 A CB 0.289 19.423 19.000 0.223 0.000 1.020 280 A HN 0.119 nan 8.150 nan 0.000 0.489 281 D N 1.899 122.379 120.400 0.133 0.000 2.348 281 D HA 0.157 4.797 4.640 -0.000 0.000 0.259 281 D C 0.667 177.015 176.300 0.080 0.000 1.296 281 D CA -0.262 53.798 54.000 0.101 0.000 0.931 281 D CB 0.337 41.204 40.800 0.111 0.000 1.067 281 D HN 0.234 nan 8.370 nan 0.000 0.503 282 L N 4.124 125.371 121.223 0.040 0.000 2.275 282 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 282 L C 1.863 178.729 176.870 -0.007 0.000 1.119 282 L CA 0.850 55.691 54.840 0.001 0.000 0.790 282 L CB -0.768 41.289 42.059 -0.005 0.000 0.919 282 L HN 0.401 nan 8.230 nan 0.000 0.443 283 N N -0.815 117.897 118.700 0.020 0.000 2.396 283 N HA -0.115 4.625 4.740 -0.000 0.000 0.180 283 N C 1.755 177.289 175.510 0.040 0.000 1.028 283 N CA 0.687 53.752 53.050 0.024 0.000 0.893 283 N CB -0.026 38.482 38.487 0.035 0.000 0.967 283 N HN 0.260 nan 8.380 nan 0.000 0.440 284 L N -0.056 121.205 121.223 0.064 0.000 2.168 284 L HA 0.123 4.463 4.340 -0.000 0.000 0.203 284 L C 1.847 178.730 176.870 0.022 0.000 1.078 284 L CA 0.848 55.756 54.840 0.112 0.000 0.780 284 L CB -0.426 41.760 42.059 0.212 0.000 0.939 284 L HN -0.193 nan 8.230 nan 0.000 0.451 285 V N -0.592 119.252 119.914 -0.117 0.000 2.233 285 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 285 V C 2.523 178.441 176.094 -0.293 0.000 1.050 285 V CA 1.953 63.990 62.300 -0.439 0.000 1.010 285 V CB -0.653 30.951 31.823 -0.365 0.000 0.637 285 V HN 0.333 nan 8.190 nan 0.000 0.444 286 V N 0.471 120.287 119.914 -0.164 0.000 2.255 286 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 286 V C 0.164 176.166 176.094 -0.154 0.000 1.051 286 V CA 2.825 65.043 62.300 -0.137 0.000 1.018 286 V CB -1.970 29.796 31.823 -0.094 0.000 0.641 286 V HN 0.537 nan 8.190 nan 0.000 0.445 287 P HA -0.048 nan 4.420 nan 0.000 0.217 287 P C 1.966 179.202 177.300 -0.106 0.000 1.151 287 P CA 1.434 64.424 63.100 -0.182 0.000 0.828 287 P CB -0.069 31.657 31.700 0.043 0.000 0.788 288 S N 0.104 115.817 115.700 0.020 0.000 2.353 288 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 288 S C 2.120 176.748 174.600 0.046 0.000 1.035 288 S CA 1.631 59.900 58.200 0.115 0.000 1.025 288 S CB -1.264 62.020 63.200 0.140 0.000 0.902 288 S HN 0.155 nan 8.310 nan 0.000 0.440 289 A N 1.178 123.946 122.820 -0.086 0.000 1.883 289 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 289 A C 2.365 179.948 177.584 -0.002 0.000 1.186 289 A CA 1.805 53.812 52.037 -0.049 0.000 0.624 289 A CB -1.077 17.859 19.000 -0.106 0.000 0.822 289 A HN 0.337 nan 8.150 nan 0.000 0.444 290 V N -1.005 118.846 119.914 -0.105 0.000 2.233 290 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 290 V C 2.349 178.361 176.094 -0.137 0.000 1.050 290 V CA 2.332 64.531 62.300 -0.168 0.000 1.010 290 V CB -1.117 30.433 31.823 -0.455 0.000 0.637 290 V HN 0.555 nan 8.190 nan 0.000 0.444 291 F N 0.843 120.819 119.950 0.043 0.000 2.234 291 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 291 F C 2.397 178.239 175.800 0.070 0.000 1.087 291 F CA 0.926 58.953 58.000 0.046 0.000 1.340 291 F CB -1.305 37.727 39.000 0.054 0.000 1.031 291 F HN 0.102 nan 8.300 nan 0.000 0.500 292 A N -0.938 122.029 122.820 0.245 0.000 2.014 292 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 292 A C 2.335 180.018 177.584 0.164 0.000 1.163 292 A CA 1.826 53.983 52.037 0.201 0.000 0.652 292 A CB -0.759 18.358 19.000 0.195 0.000 0.808 292 A HN 0.314 nan 8.150 nan 0.000 0.449 293 S N -1.133 114.655 115.700 0.146 0.000 2.404 293 S HA 0.005 4.475 4.470 -0.000 0.000 0.223 293 S C 1.732 176.408 174.600 0.127 0.000 1.040 293 S CA 1.046 59.331 58.200 0.142 0.000 0.957 293 S CB -0.033 63.278 63.200 0.185 0.000 0.826 293 S HN 0.269 nan 8.310 nan 0.000 0.491 294 V N 1.671 121.642 119.914 0.095 0.000 2.878 294 V HA 0.172 4.291 4.120 -0.000 0.000 0.250 294 V C 1.466 177.675 176.094 0.191 0.000 1.075 294 V CA 0.603 62.962 62.300 0.097 0.000 1.096 294 V CB -0.888 30.863 31.823 -0.120 0.000 0.724 294 V HN 0.480 nan 8.190 nan 0.000 0.467 295 G N 0.005 108.906 108.800 0.168 0.000 2.391 295 G HA2 0.219 4.179 3.960 -0.000 0.000 0.234 295 G HA3 0.219 4.179 3.960 -0.000 0.000 0.234 295 G C 0.761 175.689 174.900 0.047 0.000 1.284 295 G CA 0.823 46.000 45.100 0.128 0.000 0.873 295 G HN 0.525 nan 8.290 nan 0.000 0.549 296 T N -0.185 114.358 114.554 -0.018 0.000 4.386 296 T HA -0.160 4.190 4.350 -0.000 0.000 0.320 296 T C 1.437 176.038 174.700 -0.166 0.000 0.916 296 T CA 1.720 63.755 62.100 -0.107 0.000 2.028 296 T CB -1.975 66.826 68.868 -0.112 0.000 1.935 296 T HN 2.660 nan 8.240 nan 0.000 0.894 297 A N -0.979 121.721 122.820 -0.200 0.000 2.822 297 A HA 0.221 4.541 4.320 -0.000 0.000 0.287 297 A C 2.152 179.679 177.584 -0.095 0.000 1.479 297 A CA 1.415 53.276 52.037 -0.294 0.000 0.779 297 A CB -2.051 16.591 19.000 -0.597 0.000 1.022 297 A HN 2.668 nan 8.150 nan 0.000 0.532 298 G N -2.083 106.695 108.800 -0.038 0.000 2.160 298 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 298 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 298 G C 0.181 174.895 174.900 -0.310 0.000 1.008 298 G CA 0.934 45.993 45.100 -0.068 0.000 0.724 298 G HN 1.420 nan 8.290 nan 0.000 0.514 299 Q N -0.628 118.950 119.800 -0.371 0.000 2.182 299 Q HA 0.208 4.548 4.340 -0.000 0.000 0.270 299 Q C 0.897 176.665 176.000 -0.386 0.000 0.861 299 Q CA -0.319 55.022 55.803 -0.771 0.000 1.098 299 Q CB 0.653 29.197 28.738 -0.323 0.000 1.188 299 Q HN 0.589 nan 8.270 nan 0.000 0.464 300 R N 0.033 120.480 120.500 -0.088 0.000 2.486 300 R HA 0.197 4.537 4.340 -0.000 0.000 0.286 300 R C 1.217 177.739 176.300 0.370 0.000 0.999 300 R CA -0.269 56.022 56.100 0.318 0.000 0.993 300 R CB 0.827 31.336 30.300 0.348 0.000 1.084 300 R HN 0.300 nan 8.270 nan 0.000 0.487 301 C N -1.080 118.519 119.300 0.499 0.000 2.419 301 C HA -0.080 4.380 4.460 -0.000 0.000 0.283 301 C C 2.134 177.318 174.990 0.322 0.000 1.373 301 C CA 0.758 60.045 59.018 0.448 0.000 1.781 301 C CB -1.367 26.569 27.740 0.326 0.000 1.886 301 C HN 0.908 nan 8.230 nan 0.000 0.520 302 T N -2.513 112.217 114.554 0.293 0.000 3.107 302 T HA 0.101 4.451 4.350 -0.000 0.000 0.249 302 T C 0.528 175.353 174.700 0.208 0.000 1.096 302 T CA 0.358 62.603 62.100 0.241 0.000 1.012 302 T CB -0.778 68.247 68.868 0.262 0.000 0.977 302 T HN 0.520 nan 8.240 nan 0.000 0.527 303 T N 3.979 118.651 114.554 0.197 0.000 2.933 303 T HA 0.129 4.479 4.350 -0.000 0.000 0.306 303 T C 0.319 175.118 174.700 0.164 0.000 1.045 303 T CA 0.271 62.465 62.100 0.156 0.000 1.143 303 T CB 0.421 69.342 68.868 0.089 0.000 1.003 303 T HN 0.344 nan 8.240 nan 0.000 0.540 304 T N 5.300 119.951 114.554 0.161 0.000 2.853 304 T HA 0.094 4.444 4.350 -0.000 0.000 0.298 304 T C 1.326 176.121 174.700 0.159 0.000 0.978 304 T CA -0.493 61.705 62.100 0.164 0.000 1.152 304 T CB 0.531 69.492 68.868 0.156 0.000 0.914 304 T HN 0.450 nan 8.240 nan 0.000 0.539 305 R N 2.329 122.940 120.500 0.186 0.000 2.287 305 R HA 0.180 4.520 4.340 -0.000 0.000 0.197 305 R C 0.396 176.864 176.300 0.281 0.000 0.900 305 R CA 0.304 56.540 56.100 0.227 0.000 1.052 305 R CB 0.572 31.037 30.300 0.274 0.000 1.117 305 R HN 0.490 nan 8.270 nan 0.000 0.568 306 R N 1.082 121.724 120.500 0.237 0.000 2.476 306 R HA 0.395 4.735 4.340 -0.000 0.000 0.305 306 R C -1.205 175.209 176.300 0.190 0.000 0.965 306 R CA -0.764 55.481 56.100 0.241 0.000 0.867 306 R CB 2.069 32.502 30.300 0.223 0.000 1.176 306 R HN -0.147 nan 8.270 nan 0.000 0.447 307 L N 4.260 125.587 121.223 0.173 0.000 2.318 307 L HA 0.464 4.804 4.340 -0.000 0.000 0.277 307 L C -0.933 176.040 176.870 0.172 0.000 1.008 307 L CA -0.232 54.688 54.840 0.134 0.000 0.846 307 L CB 1.330 43.431 42.059 0.069 0.000 1.220 307 L HN 0.605 nan 8.230 nan 0.000 0.423 308 M N 6.649 126.363 119.600 0.191 0.000 2.113 308 M HA 0.441 4.921 4.480 -0.000 0.000 0.352 308 M C -1.095 175.419 176.300 0.357 0.000 1.170 308 M CA -0.223 55.255 55.300 0.297 0.000 1.053 308 M CB 1.129 33.845 32.600 0.194 0.000 1.601 308 M HN 0.449 nan 8.290 nan 0.000 0.459 309 L N 2.600 124.051 121.223 0.379 0.000 2.341 309 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 309 L C 0.274 177.102 176.870 -0.069 0.000 1.005 309 L CA -0.913 54.048 54.840 0.202 0.000 0.818 309 L CB 1.462 43.580 42.059 0.097 0.000 1.259 309 L HN 0.627 nan 8.230 nan 0.000 0.418 310 H N 3.664 122.414 119.070 -0.534 0.000 2.897 310 H HA -0.030 4.525 4.556 -0.000 0.000 0.347 310 H C 0.818 175.904 175.328 -0.403 0.000 1.068 310 H CA 0.517 55.973 56.048 -0.987 0.000 1.426 310 H CB 1.311 30.622 29.762 -0.753 0.000 1.410 310 H HN 0.874 nan 8.280 nan 0.000 0.597 311 E N 2.159 121.826 120.200 -0.888 0.000 2.130 311 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 311 E C 1.670 178.147 176.600 -0.206 0.000 0.998 311 E CA 1.714 57.842 56.400 -0.454 0.000 0.806 311 E CB -0.127 29.294 29.700 -0.465 0.000 0.738 311 E HN 0.620 nan 8.360 nan 0.000 0.459 312 S N 0.955 116.587 115.700 -0.114 0.000 2.419 312 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 312 S C 2.114 176.747 174.600 0.056 0.000 1.016 312 S CA 1.255 59.492 58.200 0.062 0.000 0.974 312 S CB -0.258 63.064 63.200 0.204 0.000 0.786 312 S HN 0.421 nan 8.310 nan 0.000 0.492 313 V N -2.749 117.201 119.914 0.061 0.000 3.556 313 V HA 0.282 4.402 4.120 -0.000 0.000 0.287 313 V C 2.104 178.216 176.094 0.030 0.000 1.422 313 V CA 0.309 62.632 62.300 0.038 0.000 1.038 313 V CB -0.901 30.941 31.823 0.031 0.000 0.850 313 V HN 0.510 nan 8.190 nan 0.000 0.437 314 H N 2.387 121.422 119.070 -0.059 0.000 2.255 314 H HA -0.243 4.313 4.556 -0.000 0.000 0.290 314 H C 1.776 177.079 175.328 -0.042 0.000 1.087 314 H CA 2.929 58.944 56.048 -0.055 0.000 1.213 314 H CB -0.263 29.455 29.762 -0.072 0.000 1.349 314 H HN 0.458 nan 8.280 nan 0.000 0.487 315 D N 0.338 120.814 120.400 0.127 0.000 2.144 315 D HA -0.070 4.569 4.640 -0.000 0.000 0.199 315 D C 2.294 178.572 176.300 -0.037 0.000 0.984 315 D CA 1.185 55.218 54.000 0.055 0.000 0.834 315 D CB -0.562 40.294 40.800 0.093 0.000 0.955 315 D HN 0.507 nan 8.370 nan 0.000 0.465 316 A N 0.596 123.400 122.820 -0.027 0.000 1.873 316 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 316 A C 2.525 180.069 177.584 -0.067 0.000 1.186 316 A CA 1.191 53.206 52.037 -0.037 0.000 0.616 316 A CB -0.697 18.292 19.000 -0.018 0.000 0.823 316 A HN 0.142 nan 8.150 nan 0.000 0.442 317 V N -0.462 119.397 119.914 -0.091 0.000 2.307 317 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 317 V C 2.572 178.576 176.094 -0.151 0.000 1.045 317 V CA 1.818 64.049 62.300 -0.114 0.000 1.024 317 V CB -0.814 30.939 31.823 -0.116 0.000 0.651 317 V HN 0.349 nan 8.190 nan 0.000 0.449 318 V N -0.014 119.770 119.914 -0.216 0.000 2.282 318 V HA -0.359 3.761 4.120 -0.000 0.000 0.249 318 V C 2.480 178.474 176.094 -0.166 0.000 1.057 318 V CA 2.567 64.728 62.300 -0.232 0.000 1.032 318 V CB -0.578 31.065 31.823 -0.301 0.000 0.645 318 V HN 0.651 nan 8.190 nan 0.000 0.447 319 E N -0.367 119.760 120.200 -0.123 0.000 2.077 319 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 319 E C 2.480 179.034 176.600 -0.076 0.000 0.989 319 E CA 1.181 57.529 56.400 -0.087 0.000 0.800 319 E CB -0.013 29.652 29.700 -0.058 0.000 0.746 319 E HN 0.525 nan 8.360 nan 0.000 0.452 320 R N 0.054 120.509 120.500 -0.075 0.000 2.075 320 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 320 R C 2.455 178.717 176.300 -0.064 0.000 1.126 320 R CA 1.252 57.316 56.100 -0.061 0.000 0.963 320 R CB -0.195 30.071 30.300 -0.057 0.000 0.858 320 R HN 0.267 nan 8.270 nan 0.000 0.435 321 I N 0.515 121.030 120.570 -0.091 0.000 2.226 321 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 321 I C 2.556 178.631 176.117 -0.070 0.000 1.100 321 I CA 1.170 62.422 61.300 -0.080 0.000 1.374 321 I CB -0.440 37.478 38.000 -0.137 0.000 1.057 321 I HN 0.203 nan 8.210 nan 0.000 0.413 322 A N 0.845 123.578 122.820 -0.144 0.000 1.902 322 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 322 A C 2.322 179.896 177.584 -0.016 0.000 1.181 322 A CA 1.653 53.611 52.037 -0.131 0.000 0.623 322 A CB -0.444 18.475 19.000 -0.134 0.000 0.818 322 A HN 0.309 nan 8.150 nan 0.000 0.443 323 K N -0.485 119.904 120.400 -0.018 0.000 2.097 323 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 323 K C 2.250 178.862 176.600 0.018 0.000 1.049 323 K CA 1.037 57.323 56.287 -0.001 0.000 0.933 323 K CB -0.259 32.233 32.500 -0.013 0.000 0.717 323 K HN 0.464 nan 8.250 nan 0.000 0.442 324 A N 0.282 123.118 122.820 0.027 0.000 1.897 324 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 324 A C 1.794 179.408 177.584 0.049 0.000 1.181 324 A CA 1.103 53.150 52.037 0.016 0.000 0.620 324 A CB -0.715 18.266 19.000 -0.031 0.000 0.821 324 A HN 0.240 nan 8.150 nan 0.000 0.443 325 Y N 0.467 120.707 120.300 -0.100 0.000 2.193 325 Y HA -0.235 4.314 4.550 -0.000 0.000 0.285 325 Y C 2.335 178.183 175.900 -0.085 0.000 1.166 325 Y CA 1.951 59.991 58.100 -0.100 0.000 1.181 325 Y CB -0.315 38.088 38.460 -0.096 0.000 0.976 325 Y HN 0.291 nan 8.280 nan 0.000 0.520 326 K N -0.317 120.132 120.400 0.083 0.000 2.209 326 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 326 K C 1.641 178.241 176.600 -0.000 0.000 1.048 326 K CA 1.551 57.855 56.287 0.028 0.000 0.940 326 K CB -0.143 32.371 32.500 0.022 0.000 0.729 326 K HN 0.449 nan 8.250 nan 0.000 0.451 327 Q N 0.179 119.976 119.800 -0.004 0.000 2.360 327 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 327 Q C -0.530 175.464 176.000 -0.010 0.000 0.915 327 Q CA -0.158 55.644 55.803 -0.002 0.000 0.943 327 Q CB 0.832 29.576 28.738 0.010 0.000 1.064 327 Q HN -0.010 nan 8.270 nan 0.000 0.511 328 V N 2.695 122.575 119.914 -0.056 0.000 2.425 328 V HA -0.001 4.119 4.120 -0.000 0.000 0.276 328 V C 0.417 176.490 176.094 -0.035 0.000 1.017 328 V CA 0.410 62.665 62.300 -0.074 0.000 1.062 328 V CB 0.064 31.744 31.823 -0.239 0.000 0.997 328 V HN 0.228 nan 8.190 nan 0.000 0.476 329 R N 5.540 126.060 120.500 0.033 0.000 2.288 329 R HA 0.404 4.744 4.340 -0.000 0.000 0.330 329 R C -0.480 175.883 176.300 0.105 0.000 1.069 329 R CA -0.091 56.040 56.100 0.052 0.000 0.941 329 R CB 0.368 30.703 30.300 0.059 0.000 0.998 329 R HN 0.614 nan 8.270 nan 0.000 0.452 330 I N 2.366 122.992 120.570 0.093 0.000 2.331 330 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 330 I C 0.959 177.132 176.117 0.094 0.000 0.998 330 I CA 0.004 61.419 61.300 0.191 0.000 1.267 330 I CB 1.674 39.779 38.000 0.176 0.000 1.386 330 I HN 0.740 nan 8.210 nan 0.000 0.476 331 G N 4.017 112.906 108.800 0.150 0.000 2.428 331 G HA2 0.120 4.080 3.960 -0.000 0.000 0.305 331 G HA3 0.120 4.080 3.960 -0.000 0.000 0.305 331 G C -1.867 173.144 174.900 0.186 0.000 1.260 331 G CA -0.747 44.388 45.100 0.059 0.000 0.853 331 G HN 0.485 nan 8.290 nan 0.000 0.480 332 D N 0.340 120.828 120.400 0.147 0.000 2.417 332 D HA 0.391 5.031 4.640 -0.000 0.000 0.250 332 D C -1.105 175.326 176.300 0.218 0.000 1.166 332 D CA -1.173 52.952 54.000 0.208 0.000 0.881 332 D CB 1.684 42.583 40.800 0.164 0.000 1.164 332 D HN -0.026 nan 8.370 nan 0.000 0.467 333 P HA -0.099 nan 4.420 nan 0.000 0.219 333 P C 0.741 178.196 177.300 0.258 0.000 1.146 333 P CA 0.573 63.791 63.100 0.198 0.000 0.808 333 P CB 0.054 31.844 31.700 0.150 0.000 0.779 334 W N 0.761 122.108 121.300 0.078 0.000 2.678 334 W HA 0.052 4.712 4.660 -0.000 0.000 0.256 334 W C 0.089 176.579 176.519 -0.048 0.000 1.280 334 W CA 0.477 57.819 57.345 -0.004 0.000 1.345 334 W CB -0.727 28.701 29.460 -0.053 0.000 1.118 334 W HN -0.098 nan 8.180 nan 0.000 0.629 335 D N 1.601 122.129 120.400 0.213 0.000 2.371 335 D HA -0.009 4.631 4.640 -0.000 0.000 0.256 335 D C -1.239 175.129 176.300 0.112 0.000 1.193 335 D CA -1.456 52.600 54.000 0.093 0.000 0.881 335 D CB 1.595 42.437 40.800 0.070 0.000 1.143 335 D HN -0.015 nan 8.370 nan 0.000 0.473 336 P HA -0.093 nan 4.420 nan 0.000 0.223 336 P C 1.155 178.499 177.300 0.072 0.000 1.144 336 P CA 0.532 63.685 63.100 0.088 0.000 0.783 336 P CB 0.436 32.167 31.700 0.051 0.000 0.771 337 S N -1.047 114.687 115.700 0.058 0.000 2.406 337 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 337 S C 0.874 175.518 174.600 0.074 0.000 1.020 337 S CA 0.714 58.946 58.200 0.054 0.000 0.965 337 S CB -0.781 62.441 63.200 0.038 0.000 0.798 337 S HN 0.261 nan 8.310 nan 0.000 0.488 338 T N 2.647 117.257 114.554 0.093 0.000 2.853 338 T HA 0.187 4.537 4.350 -0.000 0.000 0.298 338 T C 0.953 175.728 174.700 0.125 0.000 0.978 338 T CA 0.263 62.435 62.100 0.119 0.000 1.152 338 T CB 0.624 69.578 68.868 0.143 0.000 0.914 338 T HN 0.165 nan 8.240 nan 0.000 0.539 339 L N 2.116 123.427 121.223 0.147 0.000 2.638 339 L HA 0.348 4.688 4.340 -0.000 0.000 0.232 339 L C -0.076 176.923 176.870 0.215 0.000 1.099 339 L CA 0.078 55.011 54.840 0.155 0.000 0.883 339 L CB 0.274 42.433 42.059 0.167 0.000 1.136 339 L HN 0.621 nan 8.230 nan 0.000 0.492 340 Y N 0.259 120.602 120.300 0.072 0.000 2.362 340 Y HA 0.617 5.166 4.550 -0.000 0.000 0.326 340 Y C 0.032 176.009 175.900 0.129 0.000 1.083 340 Y CA -0.971 57.170 58.100 0.068 0.000 1.073 340 Y CB 1.412 39.896 38.460 0.040 0.000 1.211 340 Y HN -0.089 nan 8.280 nan 0.000 0.433 341 G N 4.873 113.522 108.800 -0.252 0.000 2.857 341 G HA2 0.638 4.598 3.960 -0.000 0.000 0.217 341 G HA3 0.638 4.598 3.960 -0.000 0.000 0.217 341 G C -2.950 171.616 174.900 -0.556 0.000 1.357 341 G CA -1.756 43.251 45.100 -0.155 0.000 1.033 341 G HN 0.421 nan 8.290 nan 0.000 0.571 342 P HA 0.344 nan 4.420 nan 0.000 0.278 342 P C -0.087 176.929 177.300 -0.474 0.000 1.258 342 P CA -0.499 62.048 63.100 -0.921 0.000 0.811 342 P CB 1.345 32.453 31.700 -0.987 0.000 1.063 343 L N 0.885 121.895 121.223 -0.354 0.000 2.464 343 L HA 0.060 4.400 4.340 -0.000 0.000 0.264 343 L C 2.248 179.039 176.870 -0.131 0.000 1.199 343 L CA -0.158 54.575 54.840 -0.180 0.000 0.818 343 L CB -0.296 41.684 42.059 -0.131 0.000 1.102 343 L HN 0.581 nan 8.230 nan 0.000 0.473 344 H N 0.248 119.221 119.070 -0.162 0.000 2.389 344 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 344 H C 0.585 175.759 175.328 -0.256 0.000 1.081 344 H CA 1.358 57.261 56.048 -0.242 0.000 1.345 344 H CB 0.296 29.756 29.762 -0.503 0.000 1.393 344 H HN 0.761 nan 8.280 nan 0.000 0.520 345 T N -3.590 110.789 114.554 -0.292 0.000 2.838 345 T HA 0.321 4.671 4.350 -0.000 0.000 0.292 345 T C 0.738 175.343 174.700 -0.158 0.000 1.113 345 T CA -0.964 60.967 62.100 -0.282 0.000 1.008 345 T CB 1.983 70.702 68.868 -0.248 0.000 1.259 345 T HN 0.074 nan 8.240 nan 0.000 0.520 346 K N -0.134 120.184 120.400 -0.137 0.000 2.103 346 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 346 K C 2.316 178.896 176.600 -0.034 0.000 1.052 346 K CA 1.205 57.442 56.287 -0.082 0.000 0.945 346 K CB -0.163 32.284 32.500 -0.088 0.000 0.722 346 K HN 0.483 nan 8.250 nan 0.000 0.443 347 Q N 0.452 120.233 119.800 -0.032 0.000 2.096 347 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 347 Q C 2.041 178.073 176.000 0.055 0.000 0.982 347 Q CA 1.793 57.604 55.803 0.014 0.000 0.850 347 Q CB -0.383 28.364 28.738 0.016 0.000 0.901 347 Q HN 0.343 nan 8.270 nan 0.000 0.422 348 A N 0.116 122.963 122.820 0.046 0.000 1.917 348 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 348 A C 2.321 179.975 177.584 0.116 0.000 1.182 348 A CA 1.772 53.870 52.037 0.102 0.000 0.633 348 A CB -0.937 18.108 19.000 0.075 0.000 0.819 348 A HN 0.241 nan 8.150 nan 0.000 0.448 349 V N 0.689 120.638 119.914 0.058 0.000 2.332 349 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 349 V C 2.144 178.344 176.094 0.177 0.000 1.055 349 V CA 2.269 64.618 62.300 0.081 0.000 1.038 349 V CB -0.844 30.990 31.823 0.019 0.000 0.651 349 V HN 0.518 nan 8.190 nan 0.000 0.450 350 D N -0.286 120.187 120.400 0.121 0.000 2.117 350 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 350 D C 2.393 178.775 176.300 0.136 0.000 0.987 350 D CA 1.079 55.148 54.000 0.115 0.000 0.829 350 D CB -0.277 40.566 40.800 0.072 0.000 0.961 350 D HN 0.506 nan 8.370 nan 0.000 0.460 351 Q N -0.007 119.886 119.800 0.155 0.000 2.061 351 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 351 Q C 2.253 178.369 176.000 0.194 0.000 0.984 351 Q CA 1.022 56.925 55.803 0.166 0.000 0.846 351 Q CB -0.817 28.040 28.738 0.198 0.000 0.902 351 Q HN 0.490 nan 8.270 nan 0.000 0.421 352 Y N 1.730 122.090 120.300 0.100 0.000 2.081 352 Y HA -0.237 4.312 4.550 -0.000 0.000 0.280 352 Y C 2.158 178.107 175.900 0.083 0.000 1.163 352 Y CA 1.549 59.707 58.100 0.096 0.000 1.135 352 Y CB -0.366 38.147 38.460 0.089 0.000 0.970 352 Y HN -0.022 nan 8.280 nan 0.000 0.498 353 L N -0.231 121.071 121.223 0.132 0.000 2.093 353 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 353 L C 2.792 179.653 176.870 -0.016 0.000 1.085 353 L CA 1.080 55.931 54.840 0.019 0.000 0.755 353 L CB -0.868 41.264 42.059 0.121 0.000 0.904 353 L HN 0.402 nan 8.230 nan 0.000 0.435 354 A N -0.156 122.682 122.820 0.031 0.000 1.930 354 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 354 A C 2.498 180.093 177.584 0.018 0.000 1.175 354 A CA 1.533 53.587 52.037 0.028 0.000 0.627 354 A CB -0.572 18.457 19.000 0.048 0.000 0.815 354 A HN 0.388 nan 8.150 nan 0.000 0.443 355 A N 0.021 122.856 122.820 0.024 0.000 1.930 355 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 355 A C 2.002 179.595 177.584 0.015 0.000 1.175 355 A CA 1.377 53.446 52.037 0.052 0.000 0.627 355 A CB -0.449 18.619 19.000 0.114 0.000 0.815 355 A HN 0.395 nan 8.150 nan 0.000 0.443 356 I N 0.233 120.745 120.570 -0.097 0.000 2.127 356 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 356 I C 2.473 178.564 176.117 -0.044 0.000 1.075 356 I CA 1.491 62.720 61.300 -0.118 0.000 1.334 356 I CB -1.406 36.454 38.000 -0.234 0.000 1.040 356 I HN 0.348 nan 8.210 nan 0.000 0.405 357 E N 0.763 120.942 120.200 -0.034 0.000 2.038 357 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 357 E C 2.194 178.790 176.600 -0.006 0.000 1.000 357 E CA 1.388 57.779 56.400 -0.014 0.000 0.803 357 E CB -0.327 29.369 29.700 -0.007 0.000 0.750 357 E HN 0.589 nan 8.360 nan 0.000 0.448 358 Q N 0.046 119.847 119.800 0.001 0.000 2.124 358 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 358 Q C 2.137 178.136 176.000 -0.002 0.000 0.977 358 Q CA 1.435 57.237 55.803 -0.002 0.000 0.850 358 Q CB -0.188 28.551 28.738 0.001 0.000 0.901 358 Q HN 0.255 nan 8.270 nan 0.000 0.429 359 A N 1.482 124.318 122.820 0.027 0.000 1.883 359 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 359 A C 1.913 179.507 177.584 0.018 0.000 1.186 359 A CA 1.709 53.776 52.037 0.049 0.000 0.624 359 A CB -0.354 18.722 19.000 0.126 0.000 0.822 359 A HN 0.192 nan 8.150 nan 0.000 0.444 360 K N -0.626 119.778 120.400 0.007 0.000 2.009 360 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 360 K C 2.334 178.928 176.600 -0.010 0.000 1.049 360 K CA 1.852 58.137 56.287 -0.003 0.000 0.929 360 K CB -0.265 32.231 32.500 -0.007 0.000 0.714 360 K HN 0.605 nan 8.250 nan 0.000 0.440 361 Q N 0.533 120.325 119.800 -0.014 0.000 2.181 361 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 361 Q C 1.365 177.347 176.000 -0.030 0.000 0.980 361 Q CA 1.381 57.171 55.803 -0.020 0.000 0.862 361 Q CB 0.044 28.769 28.738 -0.021 0.000 0.905 361 Q HN 0.352 nan 8.270 nan 0.000 0.429 362 Q N -1.248 118.531 119.800 -0.035 0.000 2.246 362 Q HA 0.160 4.499 4.340 -0.000 0.000 0.202 362 Q C 0.308 176.278 176.000 -0.048 0.000 0.883 362 Q CA 0.310 56.081 55.803 -0.053 0.000 0.952 362 Q CB 0.988 29.681 28.738 -0.074 0.000 1.078 362 Q HN 0.482 nan 8.270 nan 0.000 0.493 363 G N -0.054 108.727 108.800 -0.031 0.000 2.130 363 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 363 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 363 G C 0.205 175.098 174.900 -0.011 0.000 0.999 363 G CA -0.392 44.694 45.100 -0.025 0.000 0.686 363 G HN 0.478 nan 8.290 nan 0.000 0.515 364 G N -0.430 108.371 108.800 0.002 0.000 2.420 364 G HA2 0.623 4.583 3.960 -0.000 0.000 0.284 364 G HA3 0.623 4.583 3.960 -0.000 0.000 0.284 364 G C -0.077 174.832 174.900 0.016 0.000 1.177 364 G CA 0.480 45.594 45.100 0.023 0.000 0.841 364 G HN 0.622 nan 8.290 nan 0.000 0.527 365 T N 1.809 116.375 114.554 0.019 0.000 2.779 365 T HA 0.346 4.696 4.350 -0.000 0.000 0.280 365 T C -0.161 174.539 174.700 0.001 0.000 0.987 365 T CA -0.442 61.663 62.100 0.008 0.000 0.966 365 T CB 1.600 70.473 68.868 0.008 0.000 0.933 365 T HN 0.195 nan 8.240 nan 0.000 0.442 366 L N 4.082 125.299 121.223 -0.009 0.000 2.369 366 L HA 0.162 4.502 4.340 -0.000 0.000 0.279 366 L C 1.464 178.315 176.870 -0.031 0.000 1.108 366 L CA 0.379 55.205 54.840 -0.023 0.000 0.852 366 L CB 0.672 42.719 42.059 -0.021 0.000 1.169 366 L HN 0.579 nan 8.230 nan 0.000 0.452 367 V N 2.531 122.412 119.914 -0.055 0.000 2.488 367 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 367 V C 0.652 176.703 176.094 -0.073 0.000 1.046 367 V CA 1.264 63.520 62.300 -0.073 0.000 1.053 367 V CB -0.030 31.723 31.823 -0.117 0.000 0.679 367 V HN 0.995 nan 8.190 nan 0.000 0.458 368 C N -3.668 115.588 119.300 -0.073 0.000 3.275 368 C HA 0.781 5.241 4.460 -0.000 0.000 0.340 368 C C 0.495 175.489 174.990 0.008 0.000 1.366 368 C CA -0.607 58.391 59.018 -0.034 0.000 1.227 368 C CB 0.938 28.650 27.740 -0.046 0.000 1.512 368 C HN 1.233 nan 8.230 nan 0.000 0.461 369 G N 0.295 109.127 108.800 0.054 0.000 2.598 369 G HA2 0.400 4.360 3.960 -0.000 0.000 0.244 369 G HA3 0.400 4.360 3.960 -0.000 0.000 0.244 369 G C 1.127 176.090 174.900 0.105 0.000 1.302 369 G CA 1.852 47.018 45.100 0.109 0.000 0.903 369 G HN 3.315 nan 8.290 nan 0.000 0.575 370 G N -2.212 106.699 108.800 0.185 0.000 2.218 370 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 370 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 370 G C 0.251 175.262 174.900 0.185 0.000 0.994 370 G CA 1.394 46.545 45.100 0.085 0.000 0.637 370 G HN 1.121 nan 8.290 nan 0.000 0.505 371 K N 0.648 121.197 120.400 0.247 0.000 2.207 371 K HA 0.632 4.952 4.320 -0.000 0.000 0.255 371 K C 0.245 176.986 176.600 0.236 0.000 0.941 371 K CA -0.878 55.536 56.287 0.212 0.000 0.825 371 K CB 2.937 35.508 32.500 0.118 0.000 1.119 371 K HN 0.033 nan 8.250 nan 0.000 0.430 372 V N 4.036 124.072 119.914 0.203 0.000 2.599 372 V HA 0.007 4.127 4.120 -0.000 0.000 0.300 372 V C 0.566 176.718 176.094 0.097 0.000 1.034 372 V CA 0.230 62.605 62.300 0.125 0.000 1.115 372 V CB 0.151 32.040 31.823 0.109 0.000 0.934 372 V HN 0.691 nan 8.190 nan 0.000 0.485 373 M N 3.589 123.245 119.600 0.094 0.000 2.217 373 M HA 0.187 4.667 4.480 -0.000 0.000 0.354 373 M C 0.155 176.492 176.300 0.062 0.000 1.225 373 M CA -0.220 55.127 55.300 0.079 0.000 1.137 373 M CB 0.328 32.984 32.600 0.093 0.000 1.576 373 M HN 0.591 nan 8.290 nan 0.000 0.461 374 D N 5.072 125.494 120.400 0.036 0.000 2.508 374 D HA 0.205 4.845 4.640 -0.000 0.000 0.224 374 D C -0.615 175.690 176.300 0.009 0.000 1.171 374 D CA 0.081 54.097 54.000 0.026 0.000 1.006 374 D CB 0.169 40.981 40.800 0.020 0.000 1.073 374 D HN 0.579 nan 8.370 nan 0.000 0.513 375 R N 0.982 121.494 120.500 0.021 0.000 2.709 375 R HA 0.494 4.834 4.340 -0.000 0.000 0.270 375 R C -3.021 173.311 176.300 0.053 0.000 1.038 375 R CA -1.547 54.553 56.100 0.001 0.000 0.872 375 R CB -0.388 29.861 30.300 -0.086 0.000 1.259 375 R HN -0.084 nan 8.270 nan 0.000 0.473 376 P HA 0.231 nan 4.420 nan 0.000 0.266 376 P C 0.110 177.541 177.300 0.219 0.000 1.193 376 P CA 1.610 64.769 63.100 0.098 0.000 0.770 376 P CB 0.407 32.155 31.700 0.081 0.000 0.836 377 G N 2.074 110.984 108.800 0.183 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 -0.446 174.519 174.900 0.109 0.000 1.320 377 G CA -0.798 44.411 45.100 0.182 0.000 0.847 377 G HN 0.545 nan 8.290 nan 0.000 0.553 378 N N 0.460 119.096 118.700 -0.106 0.000 3.052 378 N HA 0.236 4.975 4.740 -0.000 0.000 0.302 378 N C -0.583 174.805 175.510 -0.203 0.000 1.332 378 N CA 0.231 53.197 53.050 -0.140 0.000 1.129 378 N CB -0.010 38.367 38.487 -0.184 0.000 1.436 378 N HN 0.419 nan 8.380 nan 0.000 0.536 379 Y N 0.318 120.596 120.300 -0.037 0.000 2.336 379 Y HA 0.261 4.811 4.550 -0.000 0.000 0.335 379 Y C 0.950 176.824 175.900 -0.045 0.000 1.046 379 Y CA -0.780 57.312 58.100 -0.014 0.000 1.198 379 Y CB 0.986 39.466 38.460 0.034 0.000 1.182 379 Y HN -0.017 nan 8.280 nan 0.000 0.502 380 V N -0.022 119.919 119.914 0.045 0.000 2.914 380 V HA 0.572 4.692 4.120 -0.000 0.000 0.314 380 V C -0.573 175.538 176.094 0.028 0.000 1.084 380 V CA -1.392 60.819 62.300 -0.149 0.000 0.963 380 V CB 1.981 33.279 31.823 -0.876 0.000 1.025 380 V HN 0.704 nan 8.190 nan 0.000 0.432 381 E N 3.214 123.449 120.200 0.058 0.000 2.338 381 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 381 E C -2.533 174.154 176.600 0.145 0.000 1.029 381 E CA -1.655 54.800 56.400 0.092 0.000 0.872 381 E CB 0.905 30.684 29.700 0.132 0.000 1.015 381 E HN 0.613 nan 8.360 nan 0.000 0.417 382 P HA 0.036 nan 4.420 nan 0.000 0.271 382 P C -1.008 176.477 177.300 0.309 0.000 1.226 382 P CA 0.047 63.213 63.100 0.111 0.000 0.765 382 P CB 0.778 32.329 31.700 -0.248 0.000 0.835 383 T N 4.459 119.189 114.554 0.293 0.000 2.823 383 T HA 0.595 4.945 4.350 -0.000 0.000 0.279 383 T C 0.126 174.813 174.700 -0.021 0.000 0.998 383 T CA -0.333 61.843 62.100 0.126 0.000 0.994 383 T CB 0.611 69.527 68.868 0.079 0.000 0.960 383 T HN 0.174 nan 8.240 nan 0.000 0.448 384 I N 3.391 123.871 120.570 -0.149 0.000 2.436 384 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 384 I C -0.711 175.323 176.117 -0.138 0.000 1.010 384 I CA -0.796 60.369 61.300 -0.224 0.000 1.098 384 I CB 1.671 39.437 38.000 -0.390 0.000 1.266 384 I HN 0.439 nan 8.210 nan 0.000 0.434 385 I N 5.353 125.862 120.570 -0.101 0.000 2.447 385 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 385 I C 0.107 176.252 176.117 0.047 0.000 1.023 385 I CA -0.399 60.892 61.300 -0.014 0.000 1.083 385 I CB 2.177 40.200 38.000 0.039 0.000 1.245 385 I HN 0.569 nan 8.210 nan 0.000 0.434 386 T N 0.903 115.484 114.554 0.046 0.000 2.952 386 T HA 0.717 5.067 4.350 -0.000 0.000 0.286 386 T C 0.894 175.644 174.700 0.082 0.000 1.024 386 T CA 0.112 62.268 62.100 0.094 0.000 1.029 386 T CB 1.882 70.816 68.868 0.109 0.000 1.094 386 T HN 1.004 nan 8.240 nan 0.000 0.515 387 G N 0.396 109.249 108.800 0.087 0.000 2.213 387 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.236 387 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.236 387 G C -0.002 174.905 174.900 0.011 0.000 0.991 387 G CA -0.104 45.018 45.100 0.036 0.000 0.629 387 G HN 0.871 nan 8.290 nan 0.000 0.517 388 L N 1.561 122.798 121.223 0.024 0.000 2.461 388 L HA 0.557 4.897 4.340 -0.000 0.000 0.272 388 L C 1.395 178.220 176.870 -0.075 0.000 1.197 388 L CA -0.014 54.810 54.840 -0.027 0.000 0.836 388 L CB 0.825 42.875 42.059 -0.016 0.000 1.105 388 L HN 0.421 nan 8.230 nan 0.000 0.477 389 A N 0.804 123.536 122.820 -0.147 0.000 2.445 389 A HA 0.104 4.424 4.320 -0.000 0.000 0.242 389 A C 1.036 178.415 177.584 -0.342 0.000 1.075 389 A CA 0.137 52.026 52.037 -0.245 0.000 0.777 389 A CB -0.006 18.814 19.000 -0.301 0.000 1.013 389 A HN 1.002 nan 8.150 nan 0.000 0.493 390 H N 0.283 119.050 119.070 -0.504 0.000 2.426 390 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 390 H C 0.442 175.572 175.328 -0.332 0.000 1.107 390 H CA 1.764 57.429 56.048 -0.638 0.000 1.298 390 H CB -0.091 28.670 29.762 -1.668 0.000 1.377 390 H HN 0.610 nan 8.280 nan 0.000 0.519 391 D N 0.492 120.382 120.400 -0.849 0.000 2.463 391 D HA 0.272 4.912 4.640 -0.000 0.000 0.224 391 D C 0.294 176.181 176.300 -0.688 0.000 1.174 391 D CA -0.042 53.490 54.000 -0.780 0.000 0.829 391 D CB -0.416 39.950 40.800 -0.723 0.000 0.993 391 D HN 0.626 nan 8.370 nan 0.000 0.497 392 A N 1.730 124.271 122.820 -0.465 0.000 2.524 392 A HA 0.267 4.587 4.320 -0.000 0.000 0.250 392 A C -1.161 176.220 177.584 -0.337 0.000 1.078 392 A CA -0.767 51.067 52.037 -0.339 0.000 0.761 392 A CB 0.394 19.246 19.000 -0.248 0.000 1.012 392 A HN 0.002 nan 8.150 nan 0.000 0.500 393 P HA -0.240 nan 4.420 nan 0.000 0.218 393 P C 1.428 178.644 177.300 -0.140 0.000 1.154 393 P CA 1.341 64.321 63.100 -0.200 0.000 0.872 393 P CB 0.057 31.674 31.700 -0.138 0.000 0.790 394 I N -1.004 119.466 120.570 -0.168 0.000 2.286 394 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 394 I C 1.911 177.810 176.117 -0.363 0.000 1.115 394 I CA 1.416 62.603 61.300 -0.187 0.000 1.392 394 I CB -0.639 37.270 38.000 -0.152 0.000 1.065 394 I HN -0.236 nan 8.210 nan 0.000 0.418 395 V N 0.160 119.801 119.914 -0.455 0.000 2.427 395 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 395 V C 2.279 178.328 176.094 -0.075 0.000 1.051 395 V CA 2.099 64.109 62.300 -0.483 0.000 1.048 395 V CB -1.151 30.501 31.823 -0.285 0.000 0.666 395 V HN 0.516 nan 8.190 nan 0.000 0.456 396 H N -0.612 118.354 119.070 -0.174 0.000 2.547 396 H HA 0.044 4.600 4.556 -0.000 0.000 0.272 396 H C 0.530 175.834 175.328 -0.039 0.000 0.989 396 H CA 0.365 56.363 56.048 -0.084 0.000 1.214 396 H CB 0.256 29.967 29.762 -0.085 0.000 1.389 396 H HN 0.396 nan 8.280 nan 0.000 0.577 397 T N 0.966 115.562 114.554 0.071 0.000 2.837 397 T HA 0.053 4.403 4.350 -0.000 0.000 0.285 397 T C 0.184 174.964 174.700 0.133 0.000 0.984 397 T CA -0.622 61.529 62.100 0.086 0.000 1.049 397 T CB 2.348 71.256 68.868 0.067 0.000 0.947 397 T HN 0.261 nan 8.240 nan 0.000 0.472 398 E N 2.592 122.892 120.200 0.168 0.000 2.166 398 E HA 0.157 4.507 4.350 -0.000 0.000 0.279 398 E C -0.747 176.016 176.600 0.271 0.000 1.095 398 E CA -0.310 56.232 56.400 0.236 0.000 0.888 398 E CB 0.331 30.177 29.700 0.244 0.000 1.041 398 E HN 0.510 nan 8.360 nan 0.000 0.414 399 T N 5.221 119.962 114.554 0.312 0.000 2.758 399 T HA 0.182 4.532 4.350 -0.000 0.000 0.285 399 T C -0.217 174.717 174.700 0.390 0.000 0.981 399 T CA -0.527 61.768 62.100 0.325 0.000 0.965 399 T CB 0.308 69.348 68.868 0.287 0.000 0.927 399 T HN 0.327 nan 8.240 nan 0.000 0.448 400 F N 5.538 125.622 119.950 0.223 0.000 2.668 400 F HA 0.371 4.898 4.527 -0.000 0.000 0.365 400 F C 0.359 176.297 175.800 0.231 0.000 1.165 400 F CA -0.816 57.321 58.000 0.228 0.000 1.344 400 F CB -0.786 38.369 39.000 0.258 0.000 1.658 400 F HN 0.386 nan 8.300 nan 0.000 0.620 401 V N -0.389 119.621 119.914 0.160 0.000 3.147 401 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 401 V C -2.721 173.466 176.094 0.155 0.000 1.209 401 V CA -2.200 60.206 62.300 0.177 0.000 1.023 401 V CB 2.011 34.037 31.823 0.338 0.000 1.059 401 V HN 0.038 nan 8.190 nan 0.000 0.435 402 P HA 0.408 nan 4.420 nan 0.000 0.230 402 P C -0.545 176.888 177.300 0.221 0.000 1.791 402 P CA 0.307 63.529 63.100 0.203 0.000 1.020 402 P CB -0.482 31.386 31.700 0.280 0.000 1.977 403 I N 2.111 122.734 120.570 0.088 0.000 2.433 403 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 403 I C -0.141 175.797 176.117 -0.299 0.000 1.001 403 I CA -1.221 60.005 61.300 -0.125 0.000 1.119 403 I CB 2.330 40.161 38.000 -0.281 0.000 1.289 403 I HN -0.031 nan 8.210 nan 0.000 0.438 404 L N 7.914 128.968 121.223 -0.282 0.000 2.298 404 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 404 L C -1.335 175.367 176.870 -0.280 0.000 1.013 404 L CA -0.218 54.492 54.840 -0.215 0.000 0.824 404 L CB 0.632 42.668 42.059 -0.037 0.000 1.221 404 L HN 0.270 nan 8.230 nan 0.000 0.418 405 Y N 4.513 124.852 120.300 0.064 0.000 2.350 405 Y HA 0.491 5.041 4.550 -0.000 0.000 0.340 405 Y C 0.156 176.095 175.900 0.066 0.000 1.006 405 Y CA -0.739 57.394 58.100 0.055 0.000 1.166 405 Y CB 1.127 39.625 38.460 0.064 0.000 1.168 405 Y HN 0.263 nan 8.280 nan 0.000 0.502 406 V N 5.941 125.966 119.914 0.185 0.000 2.370 406 V HA 0.289 4.409 4.120 -0.000 0.000 0.279 406 V C -0.367 175.864 176.094 0.230 0.000 1.029 406 V CA -0.640 61.756 62.300 0.159 0.000 0.870 406 V CB 0.901 32.761 31.823 0.062 0.000 0.984 406 V HN 0.459 nan 8.190 nan 0.000 0.451 407 L N 4.985 126.370 121.223 0.270 0.000 2.334 407 L HA 0.569 4.909 4.340 -0.000 0.000 0.276 407 L C -0.017 177.104 176.870 0.418 0.000 1.014 407 L CA -0.331 54.698 54.840 0.315 0.000 0.815 407 L CB 1.625 43.892 42.059 0.347 0.000 1.268 407 L HN 0.543 nan 8.230 nan 0.000 0.428 408 K N 3.208 123.819 120.400 0.352 0.000 2.235 408 K HA 0.565 4.885 4.320 -0.000 0.000 0.266 408 K C -1.285 175.534 176.600 0.366 0.000 0.980 408 K CA -0.428 55.994 56.287 0.225 0.000 0.849 408 K CB 1.005 33.406 32.500 -0.164 0.000 1.098 408 K HN 0.471 nan 8.250 nan 0.000 0.445 409 F N 1.945 121.929 119.950 0.057 0.000 2.631 409 F HA 0.513 5.040 4.527 -0.000 0.000 0.328 409 F C 0.376 176.030 175.800 -0.243 0.000 1.067 409 F CA -0.881 57.051 58.000 -0.113 0.000 0.969 409 F CB 1.601 40.379 39.000 -0.370 0.000 1.332 409 F HN 0.501 nan 8.300 nan 0.000 0.490 410 K N -0.020 120.296 120.400 -0.141 0.000 2.363 410 K HA 0.202 4.521 4.320 -0.000 0.000 0.215 410 K C 0.115 176.807 176.600 0.153 0.000 1.179 410 K CA 0.752 56.910 56.287 -0.214 0.000 0.856 410 K CB 0.216 32.636 32.500 -0.133 0.000 1.371 410 K HN 0.883 nan 8.250 nan 0.000 0.455 411 T N -0.677 113.965 114.554 0.147 0.000 2.913 411 T HA 0.129 4.479 4.350 -0.000 0.000 0.287 411 T C 0.951 175.725 174.700 0.124 0.000 1.008 411 T CA -0.561 61.614 62.100 0.124 0.000 1.067 411 T CB 1.728 70.595 68.868 -0.001 0.000 0.996 411 T HN 0.363 nan 8.240 nan 0.000 0.513 412 E N 0.859 121.112 120.200 0.089 0.000 2.058 412 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 412 E C 1.862 178.194 176.600 -0.445 0.000 0.997 412 E CA 1.565 57.892 56.400 -0.121 0.000 0.801 412 E CB -0.094 29.432 29.700 -0.291 0.000 0.746 412 E HN 0.900 nan 8.360 nan 0.000 0.450 413 E N 0.324 120.351 120.200 -0.288 0.000 2.070 413 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 413 E C 2.002 178.461 176.600 -0.235 0.000 1.004 413 E CA 1.552 57.826 56.400 -0.210 0.000 0.805 413 E CB -0.004 29.631 29.700 -0.108 0.000 0.744 413 E HN 0.353 nan 8.360 nan 0.000 0.451 414 E N -0.168 119.819 120.200 -0.354 0.000 2.023 414 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 414 E C 2.046 178.030 176.600 -1.025 0.000 1.003 414 E CA 1.142 57.109 56.400 -0.722 0.000 0.809 414 E CB -0.204 29.006 29.700 -0.818 0.000 0.755 414 E HN 0.357 nan 8.360 nan 0.000 0.449 415 A N 0.935 123.216 122.820 -0.897 0.000 1.883 415 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 415 A C 1.968 179.480 177.584 -0.120 0.000 1.186 415 A CA 1.447 53.002 52.037 -0.803 0.000 0.624 415 A CB -0.851 17.372 19.000 -1.296 0.000 0.822 415 A HN 0.203 nan 8.150 nan 0.000 0.444 416 F N 0.173 120.012 119.950 -0.186 0.000 2.095 416 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 416 F C 2.904 178.738 175.800 0.056 0.000 1.104 416 F CA 0.513 58.558 58.000 0.075 0.000 1.232 416 F CB -1.335 37.748 39.000 0.137 0.000 0.987 416 F HN 0.293 nan 8.300 nan 0.000 0.475 417 A N -0.491 122.430 122.820 0.169 0.000 1.902 417 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 417 A C 2.080 179.825 177.584 0.267 0.000 1.181 417 A CA 1.564 53.694 52.037 0.156 0.000 0.623 417 A CB -1.290 17.767 19.000 0.095 0.000 0.818 417 A HN 0.443 nan 8.150 nan 0.000 0.443 418 W N 0.107 121.422 121.300 0.025 0.000 2.388 418 W HA -0.105 4.554 4.660 -0.000 0.000 0.294 418 W C 2.070 178.618 176.519 0.048 0.000 1.212 418 W CA 0.704 58.066 57.345 0.028 0.000 1.271 418 W CB -1.470 27.979 29.460 -0.019 0.000 1.126 418 W HN 0.588 nan 8.180 nan 0.000 0.535 419 N N 0.722 119.598 118.700 0.292 0.000 2.104 419 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 419 N C 1.281 176.867 175.510 0.127 0.000 1.024 419 N CA 1.964 55.142 53.050 0.212 0.000 0.853 419 N CB -0.392 38.261 38.487 0.277 0.000 1.008 419 N HN -0.099 nan 8.380 nan 0.000 0.424 420 N N 0.155 118.928 118.700 0.122 0.000 2.424 420 N HA -0.078 4.662 4.740 -0.000 0.000 0.178 420 N C 1.087 176.621 175.510 0.039 0.000 1.060 420 N CA 0.684 53.767 53.050 0.056 0.000 0.901 420 N CB -0.214 38.304 38.487 0.053 0.000 0.979 420 N HN 0.679 nan 8.380 nan 0.000 0.451 421 E N 0.821 121.067 120.200 0.076 0.000 2.268 421 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 421 E C 0.835 177.390 176.600 -0.074 0.000 0.995 421 E CA 0.320 56.758 56.400 0.064 0.000 0.836 421 E CB -0.158 29.657 29.700 0.193 0.000 0.763 421 E HN 0.125 nan 8.360 nan 0.000 0.491 422 V N -1.057 118.734 119.914 -0.205 0.000 3.264 422 V HA 0.035 4.155 4.120 -0.000 0.000 0.304 422 V C 1.074 177.056 176.094 -0.185 0.000 1.086 422 V CA -0.397 61.712 62.300 -0.320 0.000 1.090 422 V CB 1.442 33.057 31.823 -0.347 0.000 1.112 422 V HN 0.082 nan 8.190 nan 0.000 0.472 423 Q N -0.233 119.431 119.800 -0.228 0.000 2.331 423 Q HA 0.040 4.379 4.340 -0.000 0.000 0.203 423 Q C 0.444 176.326 176.000 -0.197 0.000 0.944 423 Q CA 0.570 56.156 55.803 -0.362 0.000 0.892 423 Q CB 0.092 28.360 28.738 -0.784 0.000 0.983 423 Q HN 0.846 nan 8.270 nan 0.000 0.482 424 Q N -0.766 118.983 119.800 -0.084 0.000 2.382 424 Q HA 0.384 4.724 4.340 -0.000 0.000 0.229 424 Q C 0.346 176.342 176.000 -0.006 0.000 1.006 424 Q CA 0.629 56.439 55.803 0.012 0.000 0.916 424 Q CB 0.824 29.586 28.738 0.040 0.000 1.235 424 Q HN 0.244 nan 8.270 nan 0.000 0.512 425 G N 0.031 108.831 108.800 -0.000 0.000 5.414 425 G HA2 0.160 4.120 3.960 -0.000 0.000 0.202 425 G HA3 0.160 4.120 3.960 -0.000 0.000 0.202 425 G C -0.395 174.466 174.900 -0.065 0.000 0.727 425 G CA -0.239 44.840 45.100 -0.035 0.000 0.670 425 G HN 0.417 nan 8.290 nan 0.000 0.442 426 L N 0.448 121.642 121.223 -0.049 0.000 1.995 426 L HA 0.557 4.897 4.340 -0.000 0.000 0.206 426 L C 1.127 177.929 176.870 -0.114 0.000 1.098 426 L CA 1.581 56.358 54.840 -0.105 0.000 0.762 426 L CB -0.213 41.812 42.059 -0.057 0.000 0.900 426 L HN 0.176 nan 8.230 nan 0.000 0.441 427 S N -1.437 114.245 115.700 -0.030 0.000 2.600 427 S HA 0.769 5.239 4.470 -0.000 0.000 0.300 427 S C -0.898 173.748 174.600 0.076 0.000 1.087 427 S CA -0.064 58.141 58.200 0.007 0.000 0.965 427 S CB 1.052 64.288 63.200 0.060 0.000 1.089 427 S HN 0.662 nan 8.310 nan 0.000 0.496 428 S N 1.498 117.271 115.700 0.121 0.000 2.543 428 S HA 0.751 5.221 4.470 -0.000 0.000 0.274 428 S C -1.340 173.492 174.600 0.388 0.000 1.149 428 S CA -0.730 57.632 58.200 0.270 0.000 0.866 428 S CB 1.391 64.768 63.200 0.295 0.000 1.111 428 S HN 0.567 nan 8.310 nan 0.000 0.457 429 S N 1.221 117.152 115.700 0.384 0.000 2.540 429 S HA 0.742 5.212 4.470 -0.000 0.000 0.275 429 S C -0.657 173.923 174.600 -0.033 0.000 1.123 429 S CA -0.879 57.464 58.200 0.238 0.000 0.907 429 S CB 1.110 64.444 63.200 0.222 0.000 1.081 429 S HN 1.035 nan 8.310 nan 0.000 0.476 430 I N -0.959 119.405 120.570 -0.343 0.000 2.603 430 I HA 0.757 4.926 4.170 -0.000 0.000 0.300 430 I C -1.596 174.420 176.117 -0.169 0.000 1.017 430 I CA -0.841 60.261 61.300 -0.330 0.000 1.098 430 I CB 1.268 38.837 38.000 -0.719 0.000 1.279 430 I HN 0.393 nan 8.210 nan 0.000 0.437 431 F N 3.297 123.272 119.950 0.043 0.000 2.402 431 F HA 0.716 5.243 4.527 -0.000 0.000 0.355 431 F C 0.405 176.287 175.800 0.136 0.000 1.123 431 F CA -0.306 57.737 58.000 0.073 0.000 1.021 431 F CB 1.887 40.932 39.000 0.075 0.000 1.160 431 F HN 0.683 nan 8.300 nan 0.000 0.451 432 T N 1.976 116.612 114.554 0.136 0.000 2.786 432 T HA 0.312 4.662 4.350 -0.000 0.000 0.316 432 T C 0.013 174.723 174.700 0.015 0.000 1.503 432 T CA -0.629 61.514 62.100 0.072 0.000 1.019 432 T CB 1.668 70.476 68.868 -0.099 0.000 1.415 432 T HN 0.634 nan 8.240 nan 0.000 0.496 433 K N 0.556 120.959 120.400 0.005 0.000 2.374 433 K HA 0.202 4.522 4.320 -0.000 0.000 0.202 433 K C -0.071 176.519 176.600 -0.016 0.000 1.040 433 K CA -0.213 56.075 56.287 0.002 0.000 1.085 433 K CB 0.482 32.993 32.500 0.018 0.000 0.873 433 K HN 0.444 nan 8.250 nan 0.000 0.539 434 D N 1.644 122.014 120.400 -0.051 0.000 2.339 434 D HA -0.029 4.611 4.640 -0.000 0.000 0.241 434 D C 1.037 177.329 176.300 -0.013 0.000 1.183 434 D CA -0.122 53.847 54.000 -0.051 0.000 0.859 434 D CB 1.151 41.882 40.800 -0.114 0.000 1.067 434 D HN -0.047 nan 8.370 nan 0.000 0.484 435 L N 5.500 126.745 121.223 0.037 0.000 2.021 435 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 435 L C 2.169 179.155 176.870 0.194 0.000 1.074 435 L CA 2.614 57.526 54.840 0.122 0.000 0.760 435 L CB -0.779 41.348 42.059 0.114 0.000 0.889 435 L HN 0.589 nan 8.230 nan 0.000 0.433 436 G N -1.346 107.520 108.800 0.111 0.000 2.402 436 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 436 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 436 G C 1.791 176.766 174.900 0.125 0.000 1.162 436 G CA 0.719 45.891 45.100 0.120 0.000 0.777 436 G HN 0.425 nan 8.290 nan 0.000 0.539 437 R N -0.081 120.438 120.500 0.031 0.000 2.081 437 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 437 R C 2.646 179.010 176.300 0.107 0.000 1.131 437 R CA 1.419 57.518 56.100 -0.001 0.000 0.960 437 R CB -0.413 29.742 30.300 -0.242 0.000 0.856 437 R HN 0.236 nan 8.270 nan 0.000 0.436 438 V N 0.518 120.459 119.914 0.044 0.000 2.252 438 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 438 V C 2.003 178.081 176.094 -0.027 0.000 1.056 438 V CA 2.072 64.357 62.300 -0.024 0.000 1.022 438 V CB -0.555 31.161 31.823 -0.178 0.000 0.641 438 V HN 0.285 nan 8.190 nan 0.000 0.445 439 F N -0.346 119.658 119.950 0.091 0.000 2.367 439 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 439 F C 2.523 178.376 175.800 0.088 0.000 1.094 439 F CA 0.939 58.980 58.000 0.068 0.000 1.409 439 F CB -0.340 38.681 39.000 0.035 0.000 1.064 439 F HN -0.049 nan 8.300 nan 0.000 0.528 440 R N -0.396 120.279 120.500 0.292 0.000 2.075 440 R HA -0.224 4.116 4.340 -0.000 0.000 0.232 440 R C 2.264 178.739 176.300 0.291 0.000 1.126 440 R CA 1.600 57.869 56.100 0.281 0.000 0.963 440 R CB -0.885 29.596 30.300 0.302 0.000 0.858 440 R HN 0.500 nan 8.270 nan 0.000 0.435 441 W N 1.006 122.342 121.300 0.061 0.000 2.342 441 W HA -0.206 4.454 4.660 -0.000 0.000 0.297 441 W C 1.020 177.412 176.519 -0.212 0.000 1.213 441 W CA 0.841 58.041 57.345 -0.242 0.000 1.251 441 W CB 0.098 29.432 29.460 -0.210 0.000 1.136 441 W HN 0.084 nan 8.180 nan 0.000 0.526 442 L N 0.660 121.806 121.223 -0.130 0.000 2.270 442 L HA 0.186 4.526 4.340 -0.000 0.000 0.210 442 L C 1.975 178.755 176.870 -0.150 0.000 1.104 442 L CA 1.449 56.152 54.840 -0.228 0.000 0.804 442 L CB -1.359 40.613 42.059 -0.146 0.000 0.937 442 L HN -0.145 nan 8.230 nan 0.000 0.450 443 G N -0.791 107.983 108.800 -0.043 0.000 2.508 443 G HA2 0.232 4.192 3.960 -0.000 0.000 0.278 443 G HA3 0.232 4.192 3.960 -0.000 0.000 0.278 443 G C -1.541 173.327 174.900 -0.054 0.000 1.389 443 G CA -0.201 44.892 45.100 -0.012 0.000 1.050 443 G HN 0.104 nan 8.290 nan 0.000 0.522 444 P HA 0.006 nan 4.420 nan 0.000 0.222 444 P C 0.699 177.990 177.300 -0.014 0.000 1.147 444 P CA 1.020 64.103 63.100 -0.028 0.000 0.790 444 P CB 0.317 32.013 31.700 -0.006 0.000 0.780 445 K N -0.161 120.255 120.400 0.027 0.000 2.498 445 K HA 0.322 4.642 4.320 -0.000 0.000 0.207 445 K C 1.204 177.882 176.600 0.130 0.000 1.033 445 K CA -0.038 56.297 56.287 0.079 0.000 1.138 445 K CB 0.785 33.353 32.500 0.113 0.000 0.860 445 K HN 0.108 nan 8.250 nan 0.000 0.490 446 G N 0.678 109.458 108.800 -0.032 0.000 2.945 446 G HA2 0.066 4.026 3.960 -0.000 0.000 0.156 446 G HA3 0.066 4.026 3.960 -0.000 0.000 0.156 446 G C -0.397 174.218 174.900 -0.475 0.000 1.375 446 G CA -0.310 44.629 45.100 -0.270 0.000 1.039 446 G HN 0.131 nan 8.290 nan 0.000 0.586 447 S N 0.077 115.175 115.700 -1.003 0.000 2.560 447 S HA 0.159 4.629 4.470 -0.000 0.000 0.284 447 S C 0.603 174.896 174.600 -0.511 0.000 1.327 447 S CA 0.391 58.016 58.200 -0.959 0.000 1.055 447 S CB 0.710 62.886 63.200 -1.707 0.000 0.868 447 S HN 0.560 nan 8.310 nan 0.000 0.506 448 D N 2.335 122.549 120.400 -0.311 0.000 2.388 448 D HA 0.182 4.822 4.640 -0.000 0.000 0.221 448 D C 0.220 176.409 176.300 -0.185 0.000 1.133 448 D CA -0.318 53.560 54.000 -0.203 0.000 0.831 448 D CB -0.852 39.879 40.800 -0.115 0.000 0.962 448 D HN 0.263 nan 8.370 nan 0.000 0.502 449 C N -0.519 118.640 119.300 -0.235 0.000 2.347 449 C HA 0.702 5.162 4.460 -0.000 0.000 0.366 449 C C 2.202 177.069 174.990 -0.205 0.000 1.241 449 C CA -0.177 58.728 59.018 -0.188 0.000 2.360 449 C CB 1.171 28.813 27.740 -0.165 0.000 2.290 449 C HN 0.476 nan 8.230 nan 0.000 0.587 450 G N 0.469 109.151 108.800 -0.197 0.000 2.464 450 G HA2 0.108 4.067 3.960 -0.000 0.000 0.217 450 G HA3 0.108 4.067 3.960 -0.000 0.000 0.217 450 G C 0.405 175.168 174.900 -0.228 0.000 1.138 450 G CA 0.754 45.721 45.100 -0.221 0.000 0.793 450 G HN 0.578 nan 8.290 nan 0.000 0.539 451 I N 1.503 121.946 120.570 -0.213 0.000 2.362 451 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 451 I C -0.919 175.121 176.117 -0.128 0.000 0.994 451 I CA -1.107 60.099 61.300 -0.156 0.000 1.158 451 I CB 1.527 39.455 38.000 -0.120 0.000 1.315 451 I HN -0.269 nan 8.210 nan 0.000 0.451 452 V N 6.603 126.432 119.914 -0.141 0.000 2.340 452 V HA 0.385 4.505 4.120 -0.000 0.000 0.277 452 V C -0.170 175.921 176.094 -0.005 0.000 1.017 452 V CA -0.648 61.542 62.300 -0.184 0.000 0.820 452 V CB 1.224 32.762 31.823 -0.474 0.000 1.028 452 V HN 0.643 nan 8.190 nan 0.000 0.436 453 N N 2.416 121.223 118.700 0.180 0.000 2.443 453 N HA 0.733 5.473 4.740 -0.000 0.000 0.293 453 N C -0.805 174.792 175.510 0.145 0.000 1.159 453 N CA -0.421 52.702 53.050 0.122 0.000 0.904 453 N CB 2.540 41.066 38.487 0.065 0.000 1.214 453 N HN 0.314 nan 8.380 nan 0.000 0.513 454 V N 2.354 122.242 119.914 -0.042 0.000 2.525 454 V HA 0.304 4.424 4.120 -0.000 0.000 0.299 454 V C -0.031 175.852 176.094 -0.353 0.000 1.034 454 V CA -0.765 61.425 62.300 -0.183 0.000 0.863 454 V CB 1.172 32.929 31.823 -0.110 0.000 0.999 454 V HN 0.702 nan 8.190 nan 0.000 0.423 455 N N 2.213 120.461 118.700 -0.753 0.000 2.753 455 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 455 N C -0.490 174.655 175.510 -0.610 0.000 1.097 455 N CA 1.477 53.965 53.050 -0.936 0.000 0.786 455 N CB -0.624 37.678 38.487 -0.308 0.000 1.137 455 N HN 0.761 nan 8.380 nan 0.000 0.566 456 I N -0.626 119.649 120.570 -0.491 0.000 2.647 456 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 456 I C -2.330 173.827 176.117 0.066 0.000 1.078 456 I CA -2.058 59.202 61.300 -0.067 0.000 1.048 456 I CB 2.461 40.458 38.000 -0.005 0.000 1.239 456 I HN -0.280 nan 8.210 nan 0.000 0.421 457 P HA 0.123 nan 4.420 nan 0.000 0.285 457 P C 0.419 177.854 177.300 0.226 0.000 1.282 457 P CA 0.085 63.390 63.100 0.342 0.000 0.778 457 P CB 0.189 32.073 31.700 0.306 0.000 1.222 458 T N -4.633 110.055 114.554 0.223 0.000 3.085 458 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 458 T C 1.189 175.997 174.700 0.180 0.000 1.127 458 T CA 1.025 63.238 62.100 0.189 0.000 1.103 458 T CB -1.038 67.944 68.868 0.188 0.000 0.921 458 T HN 0.375 nan 8.240 nan 0.000 0.510 459 S N 0.473 116.284 115.700 0.185 0.000 2.556 459 S HA 0.388 4.858 4.470 -0.000 0.000 0.216 459 S C 1.243 175.937 174.600 0.157 0.000 0.970 459 S CA -0.429 57.880 58.200 0.183 0.000 0.912 459 S CB -0.022 63.289 63.200 0.185 0.000 0.790 459 S HN 0.617 nan 8.310 nan 0.000 0.504 460 G N 1.402 110.287 108.800 0.141 0.000 2.428 460 G HA2 0.544 4.504 3.960 -0.000 0.000 0.293 460 G HA3 0.544 4.504 3.960 -0.000 0.000 0.293 460 G C -0.294 174.664 174.900 0.098 0.000 1.059 460 G CA 0.062 45.227 45.100 0.107 0.000 1.194 460 G HN 0.719 nan 8.290 nan 0.000 0.435 461 A N 3.256 126.130 122.820 0.090 0.000 2.540 461 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 461 A C -0.427 177.174 177.584 0.029 0.000 1.056 461 A CA -0.880 51.206 52.037 0.082 0.000 0.700 461 A CB 1.443 20.558 19.000 0.191 0.000 1.280 461 A HN 0.776 nan 8.150 nan 0.000 0.398 462 E N 1.825 122.019 120.200 -0.010 0.000 2.359 462 E HA 0.628 4.978 4.350 -0.000 0.000 0.266 462 E C -0.025 176.504 176.600 -0.119 0.000 0.920 462 E CA -0.942 55.434 56.400 -0.039 0.000 0.788 462 E CB 1.347 31.028 29.700 -0.032 0.000 1.279 462 E HN 0.331 nan 8.360 nan 0.000 0.438 463 I N 1.351 121.842 120.570 -0.132 0.000 2.194 463 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 463 I C 2.282 178.118 176.117 -0.469 0.000 1.093 463 I CA 2.253 63.389 61.300 -0.273 0.000 1.355 463 I CB -0.454 37.422 38.000 -0.208 0.000 1.046 463 I HN 0.895 nan 8.210 nan 0.000 0.413 464 G N -0.031 108.552 108.800 -0.362 0.000 2.462 464 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.220 464 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.220 464 G C 0.886 175.669 174.900 -0.194 0.000 1.121 464 G CA 0.754 45.661 45.100 -0.322 0.000 0.758 464 G HN 0.498 nan 8.290 nan 0.000 0.559 465 G N -0.889 107.811 108.800 -0.166 0.000 2.410 465 G HA2 0.610 4.570 3.960 -0.000 0.000 0.330 465 G HA3 0.610 4.570 3.960 -0.000 0.000 0.330 465 G C -0.123 174.701 174.900 -0.126 0.000 1.142 465 G CA 0.029 45.065 45.100 -0.107 0.000 0.902 465 G HN 0.481 nan 8.290 nan 0.000 0.491 466 A N 0.405 123.168 122.820 -0.095 0.000 2.511 466 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 466 A C -0.799 176.727 177.584 -0.097 0.000 1.069 466 A CA -0.044 51.933 52.037 -0.100 0.000 0.763 466 A CB 0.055 18.998 19.000 -0.095 0.000 1.001 466 A HN 0.815 nan 8.150 nan 0.000 0.498 467 F N 2.300 122.071 119.950 -0.298 0.000 2.467 467 F HA 0.652 5.179 4.527 -0.000 0.000 0.336 467 F C 0.454 176.112 175.800 -0.237 0.000 1.123 467 F CA 0.866 58.674 58.000 -0.320 0.000 0.964 467 F CB 1.552 40.223 39.000 -0.549 0.000 1.136 467 F HN 1.064 nan 8.300 nan 0.000 0.447 468 G N 2.636 110.895 108.800 -0.901 0.000 2.337 468 G HA2 0.439 4.399 3.960 -0.000 0.000 0.298 468 G HA3 0.439 4.399 3.960 -0.000 0.000 0.298 468 G C -1.489 173.131 174.900 -0.468 0.000 1.335 468 G CA -0.260 44.475 45.100 -0.608 0.000 0.875 468 G HN 1.098 nan 8.290 nan 0.000 0.579 469 G N -1.478 107.151 108.800 -0.286 0.000 3.140 469 G HA2 0.753 4.713 3.960 -0.000 0.000 0.271 469 G HA3 0.753 4.713 3.960 -0.000 0.000 0.271 469 G C -1.061 173.763 174.900 -0.127 0.000 1.370 469 G CA -0.340 44.640 45.100 -0.200 0.000 1.014 469 G HN 0.568 nan 8.290 nan 0.000 0.541 470 E N -0.573 119.571 120.200 -0.094 0.000 2.447 470 E HA 0.414 4.764 4.350 -0.000 0.000 0.251 470 E C 0.173 176.764 176.600 -0.016 0.000 0.910 470 E CA -0.673 55.689 56.400 -0.063 0.000 0.841 470 E CB 1.478 31.132 29.700 -0.076 0.000 1.403 470 E HN 0.610 nan 8.360 nan 0.000 0.400 471 K N -0.265 120.140 120.400 0.008 0.000 1.824 471 K HA -0.301 4.019 4.320 -0.000 0.000 0.120 471 K C 1.257 177.942 176.600 0.141 0.000 1.268 471 K CA 1.827 58.162 56.287 0.079 0.000 0.420 471 K CB -1.112 31.427 32.500 0.064 0.000 0.586 471 K HN 0.479 nan 8.250 nan 0.000 0.907 472 H N 0.659 119.720 119.070 -0.014 0.000 2.559 472 H HA 0.042 4.598 4.556 -0.000 0.000 0.273 472 H C 1.596 176.924 175.328 0.001 0.000 1.000 472 H CA 1.548 57.595 56.048 -0.002 0.000 1.195 472 H CB -0.135 29.635 29.762 0.013 0.000 1.368 472 H HN 0.398 nan 8.280 nan 0.000 0.592 473 T N -1.837 112.772 114.554 0.091 0.000 3.055 473 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 473 T C 1.807 176.513 174.700 0.011 0.000 1.111 473 T CA 1.023 63.147 62.100 0.039 0.000 1.118 473 T CB 0.057 68.921 68.868 -0.006 0.000 0.909 473 T HN 0.631 nan 8.240 nan 0.000 0.501 474 G N 0.024 108.820 108.800 -0.006 0.000 2.231 474 G HA2 0.043 4.003 3.960 -0.000 0.000 0.206 474 G HA3 0.043 4.003 3.960 -0.000 0.000 0.206 474 G C 1.042 175.920 174.900 -0.037 0.000 0.996 474 G CA 0.225 45.311 45.100 -0.024 0.000 0.645 474 G HN 1.144 nan 8.290 nan 0.000 0.498 475 G N -0.632 108.139 108.800 -0.049 0.000 2.284 475 G HA2 0.161 4.121 3.960 -0.000 0.000 0.247 475 G HA3 0.161 4.121 3.960 -0.000 0.000 0.247 475 G C 1.636 176.493 174.900 -0.072 0.000 1.012 475 G CA 1.121 46.184 45.100 -0.062 0.000 0.618 475 G HN 2.158 nan 8.290 nan 0.000 0.521 476 G N 0.094 108.859 108.800 -0.058 0.000 2.614 476 G HA2 0.481 4.441 3.960 -0.000 0.000 0.239 476 G HA3 0.481 4.441 3.960 -0.000 0.000 0.239 476 G C -0.010 174.847 174.900 -0.073 0.000 1.240 476 G CA 0.023 45.088 45.100 -0.058 0.000 0.842 476 G HN 0.441 nan 8.290 nan 0.000 0.584 477 R N 0.411 120.873 120.500 -0.064 0.000 2.744 477 R HA 0.439 4.779 4.340 -0.000 0.000 0.279 477 R C -0.663 175.636 176.300 -0.002 0.000 0.977 477 R CA -0.647 55.417 56.100 -0.061 0.000 0.906 477 R CB 2.342 32.590 30.300 -0.086 0.000 1.197 477 R HN 0.726 nan 8.270 nan 0.000 0.463 478 E N 0.127 120.314 120.200 -0.021 0.000 2.312 478 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 478 E C -0.182 176.282 176.600 -0.227 0.000 0.894 478 E CA -0.605 55.759 56.400 -0.059 0.000 0.773 478 E CB 2.366 31.999 29.700 -0.113 0.000 1.241 478 E HN 0.638 nan 8.360 nan 0.000 0.432 479 S N 0.586 116.172 115.700 -0.190 0.000 4.158 479 S HA -0.211 4.259 4.470 -0.000 0.000 0.578 479 S C 0.888 175.453 174.600 -0.058 0.000 1.866 479 S CA 1.230 59.290 58.200 -0.233 0.000 4.250 479 S CB -1.684 61.131 63.200 -0.642 0.000 0.204 479 S HN 0.846 nan 8.310 nan 0.000 0.455 480 G N 0.531 109.229 108.800 -0.170 0.000 2.535 480 G HA2 0.527 4.487 3.960 -0.000 0.000 0.282 480 G HA3 0.527 4.487 3.960 -0.000 0.000 0.282 480 G C 0.543 175.482 174.900 0.065 0.000 1.350 480 G CA 0.984 46.032 45.100 -0.087 0.000 1.039 480 G HN 1.920 nan 8.290 nan 0.000 0.509 481 S N -0.883 114.884 115.700 0.111 0.000 3.736 481 S HA -0.316 4.154 4.470 -0.000 0.000 0.627 481 S C 0.948 175.619 174.600 0.118 0.000 2.426 481 S CA 2.084 60.338 58.200 0.090 0.000 4.022 481 S CB -1.379 61.819 63.200 -0.003 0.000 0.237 481 S HN 1.343 nan 8.310 nan 0.000 0.967 482 D N 0.726 121.100 120.400 -0.043 0.000 2.561 482 D HA 0.406 5.046 4.640 -0.000 0.000 0.232 482 D C 1.161 177.178 176.300 -0.472 0.000 1.198 482 D CA 0.651 54.465 54.000 -0.311 0.000 0.826 482 D CB -0.291 40.254 40.800 -0.424 0.000 0.992 482 D HN 0.258 nan 8.370 nan 0.000 0.490 483 S N 0.447 116.060 115.700 -0.144 0.000 2.402 483 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 483 S C 1.569 176.188 174.600 0.032 0.000 1.030 483 S CA 1.165 59.335 58.200 -0.050 0.000 1.003 483 S CB -0.586 62.656 63.200 0.069 0.000 0.813 483 S HN 0.732 nan 8.310 nan 0.000 0.477 484 W N 2.231 123.578 121.300 0.079 0.000 2.341 484 W HA -0.132 4.528 4.660 -0.000 0.000 0.283 484 W C 1.135 177.720 176.519 0.110 0.000 1.215 484 W CA 0.915 58.325 57.345 0.109 0.000 1.211 484 W CB -0.841 28.579 29.460 -0.066 0.000 1.131 484 W HN 0.278 nan 8.180 nan 0.000 0.552 485 K N 0.974 120.880 120.400 -0.824 0.000 2.211 485 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 485 K C 2.168 178.689 176.600 -0.132 0.000 1.047 485 K CA 1.958 57.722 56.287 -0.872 0.000 0.935 485 K CB -0.329 31.423 32.500 -1.246 0.000 0.728 485 K HN 0.311 nan 8.250 nan 0.000 0.452 486 Q N -0.691 119.055 119.800 -0.090 0.000 2.291 486 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 486 Q C 0.690 176.609 176.000 -0.135 0.000 0.970 486 Q CA 1.126 56.850 55.803 -0.132 0.000 0.876 486 Q CB 0.105 28.671 28.738 -0.287 0.000 0.935 486 Q HN 0.437 nan 8.270 nan 0.000 0.455 487 Y N -0.888 119.486 120.300 0.123 0.000 2.468 487 Y HA 0.266 4.816 4.550 -0.000 0.000 0.268 487 Y C 0.473 176.521 175.900 0.246 0.000 1.177 487 Y CA 0.008 58.212 58.100 0.174 0.000 1.265 487 Y CB 0.446 39.017 38.460 0.183 0.000 1.103 487 Y HN -0.002 nan 8.280 nan 0.000 0.522 488 M N 0.055 119.907 119.600 0.421 0.000 2.618 488 M HA 0.443 4.922 4.480 -0.000 0.000 0.281 488 M C -0.862 175.724 176.300 0.476 0.000 1.267 488 M CA -1.017 54.583 55.300 0.500 0.000 0.845 488 M CB 3.048 36.076 32.600 0.713 0.000 1.732 488 M HN -0.064 nan 8.290 nan 0.000 0.461 489 R N 0.916 121.626 120.500 0.350 0.000 2.393 489 R HA 0.633 4.973 4.340 -0.000 0.000 0.310 489 R C -0.835 175.374 176.300 -0.153 0.000 0.968 489 R CA -0.876 55.296 56.100 0.121 0.000 0.867 489 R CB 1.960 32.293 30.300 0.054 0.000 1.124 489 R HN 0.674 nan 8.270 nan 0.000 0.450 490 R N 2.163 122.322 120.500 -0.568 0.000 2.390 490 R HA 0.156 4.496 4.340 -0.000 0.000 0.291 490 R C -0.965 175.024 176.300 -0.517 0.000 1.070 490 R CA -0.113 55.324 56.100 -1.105 0.000 1.014 490 R CB 0.987 30.551 30.300 -1.227 0.000 1.007 490 R HN 0.943 nan 8.270 nan 0.000 0.466 491 S N 1.839 117.267 115.700 -0.453 0.000 2.594 491 S HA 0.276 4.746 4.470 -0.000 0.000 0.296 491 S C -0.759 173.722 174.600 -0.200 0.000 1.124 491 S CA -0.841 57.215 58.200 -0.241 0.000 1.011 491 S CB 1.999 65.114 63.200 -0.142 0.000 1.016 491 S HN 0.505 nan 8.310 nan 0.000 0.485 492 T N 3.171 117.643 114.554 -0.138 0.000 2.723 492 T HA 0.399 4.748 4.350 -0.000 0.000 0.297 492 T C -0.308 174.364 174.700 -0.047 0.000 0.925 492 T CA -0.359 61.691 62.100 -0.083 0.000 1.030 492 T CB -0.630 68.199 68.868 -0.065 0.000 0.905 492 T HN 0.802 nan 8.240 nan 0.000 0.502 493 C N 3.946 123.230 119.300 -0.027 0.000 2.298 493 C HA 0.612 5.072 4.460 -0.000 0.000 0.323 493 C C 0.797 175.799 174.990 0.020 0.000 1.284 493 C CA -0.968 58.046 59.018 -0.007 0.000 1.577 493 C CB 0.313 28.049 27.740 -0.008 0.000 2.249 493 C HN 0.783 nan 8.230 nan 0.000 0.497 494 T N 4.317 118.890 114.554 0.031 0.000 2.770 494 T HA 0.547 4.897 4.350 -0.000 0.000 0.283 494 T C -0.261 174.473 174.700 0.057 0.000 0.988 494 T CA -0.035 62.104 62.100 0.066 0.000 0.957 494 T CB 0.415 69.335 68.868 0.087 0.000 0.930 494 T HN 0.476 nan 8.240 nan 0.000 0.443 495 I N 3.791 124.401 120.570 0.067 0.000 2.354 495 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 495 I C 0.110 176.196 176.117 -0.050 0.000 1.007 495 I CA -0.937 60.385 61.300 0.036 0.000 1.167 495 I CB 1.134 39.177 38.000 0.072 0.000 1.320 495 I HN 0.448 nan 8.210 nan 0.000 0.458 496 N N 5.989 124.548 118.700 -0.235 0.000 2.408 496 N HA 0.092 4.832 4.740 -0.000 0.000 0.257 496 N C -0.042 175.296 175.510 -0.286 0.000 1.064 496 N CA -0.190 52.487 53.050 -0.622 0.000 0.952 496 N CB 0.453 38.563 38.487 -0.628 0.000 1.093 496 N HN 0.529 nan 8.380 nan 0.000 0.490 497 Y N 1.185 121.331 120.300 -0.257 0.000 2.500 497 Y HA 0.421 4.971 4.550 -0.000 0.000 0.246 497 Y C 0.533 176.371 175.900 -0.103 0.000 1.146 497 Y CA -0.856 57.162 58.100 -0.135 0.000 1.230 497 Y CB -0.737 37.669 38.460 -0.090 0.000 1.214 497 Y HN 0.332 nan 8.280 nan 0.000 0.526 498 S N 0.769 116.228 115.700 -0.401 0.000 2.645 498 S HA 0.273 4.743 4.470 -0.000 0.000 0.266 498 S C 0.668 175.201 174.600 -0.112 0.000 1.258 498 S CA -0.775 57.287 58.200 -0.230 0.000 0.990 498 S CB 1.484 64.519 63.200 -0.276 0.000 0.967 498 S HN 0.405 nan 8.310 nan 0.000 0.556 499 K N -0.110 120.253 120.400 -0.062 0.000 2.404 499 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 499 K C -0.592 175.979 176.600 -0.048 0.000 1.023 499 K CA -0.075 56.185 56.287 -0.045 0.000 1.094 499 K CB -0.135 32.352 32.500 -0.023 0.000 0.841 499 K HN 0.599 nan 8.250 nan 0.000 0.523 500 D N 1.539 121.907 120.400 -0.054 0.000 2.525 500 D HA -0.000 4.639 4.640 -0.000 0.000 0.235 500 D C 0.040 176.314 176.300 -0.043 0.000 1.137 500 D CA 0.689 54.665 54.000 -0.039 0.000 0.868 500 D CB 0.626 41.411 40.800 -0.024 0.000 1.180 500 D HN 0.006 nan 8.370 nan 0.000 0.465 501 L N 3.355 124.551 121.223 -0.045 0.000 2.334 501 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 501 L C -1.699 175.136 176.870 -0.059 0.000 1.020 501 L CA -1.770 53.030 54.840 -0.065 0.000 0.812 501 L CB 1.004 43.014 42.059 -0.082 0.000 1.264 501 L HN 0.282 nan 8.230 nan 0.000 0.439 502 P HA 0.246 nan 4.420 nan 0.000 0.274 502 P C -0.746 176.522 177.300 -0.053 0.000 1.231 502 P CA -0.563 62.502 63.100 -0.059 0.000 0.790 502 P CB 0.709 32.368 31.700 -0.069 0.000 0.951 503 L N 1.101 122.311 121.223 -0.021 0.000 2.540 503 L HA 0.021 4.361 4.340 -0.000 0.000 0.276 503 L C 1.807 178.699 176.870 0.037 0.000 1.212 503 L CA -0.149 54.694 54.840 0.006 0.000 0.893 503 L CB -0.011 42.054 42.059 0.010 0.000 1.138 503 L HN 0.510 nan 8.230 nan 0.000 0.491 504 A N 3.119 125.988 122.820 0.083 0.000 2.066 504 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 504 A C 1.163 178.857 177.584 0.183 0.000 1.157 504 A CA 0.687 52.855 52.037 0.219 0.000 0.670 504 A CB -0.527 18.639 19.000 0.277 0.000 0.804 504 A HN 0.959 nan 8.150 nan 0.000 0.453 505 Q N -2.279 117.578 119.800 0.095 0.000 2.417 505 Q HA -0.188 4.152 4.340 -0.000 0.000 0.350 505 Q C 0.756 176.786 176.000 0.051 0.000 1.364 505 Q CA 0.832 56.671 55.803 0.061 0.000 1.024 505 Q CB -2.551 26.215 28.738 0.048 0.000 1.235 505 Q HN 1.791 nan 8.270 nan 0.000 0.388 506 G N -0.405 108.421 108.800 0.043 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 0.223 175.111 174.900 -0.021 0.000 1.006 506 G CA -0.034 45.073 45.100 0.011 0.000 0.620 506 G HN 0.543 nan 8.290 nan 0.000 0.511 507 I N 2.143 122.698 120.570 -0.024 0.000 2.365 507 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 507 I C 0.440 176.398 176.117 -0.265 0.000 1.004 507 I CA -0.601 60.582 61.300 -0.195 0.000 1.311 507 I CB 1.239 39.053 38.000 -0.310 0.000 1.401 507 I HN -0.050 nan 8.210 nan 0.000 0.491 508 K N 6.477 126.684 120.400 -0.322 0.000 2.234 508 K HA 0.511 4.831 4.320 -0.000 0.000 0.282 508 K C -1.050 175.293 176.600 -0.427 0.000 1.039 508 K CA -0.249 55.907 56.287 -0.218 0.000 0.928 508 K CB 1.075 33.507 32.500 -0.113 0.000 1.039 508 K HN 0.272 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 -0.003 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