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 2qlr_1_D DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.072 176.300 -0.380 0.000 1.140 1 M CA 0.000 55.075 55.300 -0.375 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 N N 0.524 119.072 118.700 -0.253 0.000 2.955 2 N HA 0.208 4.947 4.740 -0.001 0.000 0.242 2 N C -0.141 175.377 175.510 0.014 0.000 1.123 2 N CA -0.147 52.834 53.050 -0.115 0.000 0.949 2 N CB 0.406 38.850 38.487 -0.071 0.000 1.214 2 N HN 0.382 nan 8.380 nan 0.000 0.504 3 Y N 1.518 121.942 120.300 0.207 0.000 2.274 3 Y HA -0.173 4.376 4.550 -0.001 0.000 0.290 3 Y C 2.516 178.554 175.900 0.231 0.000 1.145 3 Y CA 1.044 59.320 58.100 0.293 0.000 1.203 3 Y CB 0.158 38.722 38.460 0.173 0.000 0.984 3 Y HN 0.642 nan 8.280 nan 0.000 0.533 4 A N 1.248 124.196 122.820 0.214 0.000 2.032 4 A HA -0.270 4.049 4.320 -0.001 0.000 0.221 4 A C 2.127 179.698 177.584 -0.022 0.000 1.165 4 A CA 1.980 54.070 52.037 0.089 0.000 0.645 4 A CB -0.735 18.289 19.000 0.041 0.000 0.807 4 A HN 0.632 nan 8.150 nan 0.000 0.453 5 R N -1.946 118.431 120.500 -0.205 0.000 2.323 5 R HA 0.115 4.455 4.340 -0.001 0.000 0.198 5 R C 0.226 176.210 176.300 -0.526 0.000 0.988 5 R CA 1.008 56.832 56.100 -0.459 0.000 1.041 5 R CB -0.443 29.474 30.300 -0.639 0.000 0.926 5 R HN 0.468 nan 8.270 nan 0.000 0.476 6 F N 0.777 120.788 119.950 0.102 0.000 2.698 6 F HA 0.451 4.979 4.527 0.001 0.000 0.304 6 F C 0.065 175.936 175.800 0.118 0.000 1.108 6 F CA -0.660 57.418 58.000 0.130 0.000 1.263 6 F CB 0.803 39.909 39.000 0.177 0.000 1.013 6 F HN -0.127 nan 8.300 nan 0.000 0.532 7 I N 0.050 120.731 120.570 0.185 0.000 2.476 7 I HA 0.137 4.306 4.170 -0.001 0.000 0.281 7 I C 0.164 176.324 176.117 0.071 0.000 1.040 7 I CA -0.516 60.863 61.300 0.132 0.000 1.094 7 I CB 1.575 39.648 38.000 0.121 0.000 1.219 7 I HN -0.182 nan 8.210 nan 0.000 0.450 8 T N 4.378 118.974 114.554 0.069 0.000 2.830 8 T HA -0.116 4.233 4.350 -0.001 0.000 0.282 8 T C 1.508 176.220 174.700 0.021 0.000 1.024 8 T CA 0.954 63.078 62.100 0.040 0.000 1.144 8 T CB 0.775 69.672 68.868 0.048 0.000 1.035 8 T HN 0.793 nan 8.240 nan 0.000 0.507 9 A N 4.180 127.006 122.820 0.009 0.000 1.971 9 A HA -0.164 4.155 4.320 -0.001 0.000 0.222 9 A C 2.552 180.134 177.584 -0.004 0.000 1.182 9 A CA 2.349 54.387 52.037 0.002 0.000 0.649 9 A CB -0.962 18.037 19.000 -0.003 0.000 0.818 9 A HN 1.010 nan 8.150 nan 0.000 0.458 10 A N -1.415 121.400 122.820 -0.008 0.000 1.929 10 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 10 A C 2.461 180.021 177.584 -0.040 0.000 1.176 10 A CA 1.989 54.011 52.037 -0.026 0.000 0.628 10 A CB -0.790 18.191 19.000 -0.032 0.000 0.816 10 A HN 0.597 nan 8.150 nan 0.000 0.444 11 S N -0.415 115.269 115.700 -0.026 0.000 2.371 11 S HA 0.053 4.522 4.470 -0.001 0.000 0.224 11 S C 2.178 176.777 174.600 -0.001 0.000 1.029 11 S CA 1.319 59.505 58.200 -0.023 0.000 0.978 11 S CB -0.434 62.772 63.200 0.010 0.000 0.833 11 S HN 0.763 nan 8.310 nan 0.000 0.466 12 A N 1.280 124.108 122.820 0.013 0.000 1.978 12 A HA 0.166 4.486 4.320 -0.001 0.000 0.220 12 A C 2.328 179.916 177.584 0.006 0.000 1.170 12 A CA 1.749 53.796 52.037 0.018 0.000 0.636 12 A CB -1.188 17.825 19.000 0.023 0.000 0.810 12 A HN 0.766 nan 8.150 nan 0.000 0.448 13 A N -0.663 122.155 122.820 -0.003 0.000 2.172 13 A HA 0.032 4.351 4.320 -0.001 0.000 0.216 13 A C 1.361 178.937 177.584 -0.012 0.000 1.154 13 A CA 0.143 52.175 52.037 -0.008 0.000 0.701 13 A CB -0.231 18.761 19.000 -0.013 0.000 0.789 13 A HN 0.520 nan 8.150 nan 0.000 0.465 14 R N 1.146 121.636 120.500 -0.017 0.000 2.490 14 R HA 0.268 4.608 4.340 -0.001 0.000 0.280 14 R C -0.736 175.561 176.300 -0.005 0.000 1.077 14 R CA -0.198 55.890 56.100 -0.019 0.000 1.065 14 R CB 0.378 30.662 30.300 -0.027 0.000 1.003 14 R HN 0.438 nan 8.270 nan 0.000 0.470 15 N N 2.554 121.252 118.700 -0.002 0.000 2.402 15 N HA 0.233 4.973 4.740 -0.001 0.000 0.294 15 N C -1.893 173.620 175.510 0.005 0.000 1.203 15 N CA -1.548 51.503 53.050 0.003 0.000 0.838 15 N CB 1.095 39.584 38.487 0.002 0.000 1.306 15 N HN 0.200 nan 8.380 nan 0.000 0.510 16 P HA -0.184 nan 4.420 nan 0.000 0.214 16 P C -0.201 177.102 177.300 0.005 0.000 1.164 16 P CA 1.587 64.691 63.100 0.007 0.000 0.942 16 P CB 0.062 31.764 31.700 0.005 0.000 0.791 17 S N -2.009 113.692 115.700 0.001 0.000 3.373 17 S HA -0.040 4.430 4.470 -0.001 0.000 0.728 17 S C -2.254 172.340 174.600 -0.009 0.000 0.612 17 S CA -0.202 57.996 58.200 -0.002 0.000 1.473 17 S CB -1.028 62.174 63.200 0.004 0.000 0.990 17 S HN -0.070 nan 8.310 nan 0.000 0.936 18 P HA 0.601 nan 4.420 nan 0.000 0.327 18 P C 0.522 177.802 177.300 -0.034 0.000 1.342 18 P CA -0.008 63.080 63.100 -0.020 0.000 0.761 18 P CB 0.053 31.744 31.700 -0.016 0.000 1.675 19 I N -4.586 115.964 120.570 -0.034 0.000 5.895 19 I HA -0.136 4.033 4.170 -0.001 0.000 0.126 19 I C 0.202 176.307 176.117 -0.020 0.000 1.818 19 I CA -0.377 60.902 61.300 -0.035 0.000 2.037 19 I CB -0.858 37.106 38.000 -0.058 0.000 3.407 19 I HN 0.248 nan 8.210 nan 0.000 0.169 20 R N 1.602 122.094 120.500 -0.013 0.000 2.649 20 R HA 0.383 4.723 4.340 -0.001 0.000 0.270 20 R C 1.466 177.763 176.300 -0.006 0.000 1.105 20 R CA 0.284 56.379 56.100 -0.009 0.000 1.193 20 R CB 0.274 30.570 30.300 -0.006 0.000 1.120 20 R HN 0.466 nan 8.270 nan 0.000 0.561 21 T N -0.787 113.764 114.554 -0.004 0.000 3.582 21 T HA -0.031 4.318 4.350 -0.001 0.000 0.261 21 T C 1.321 176.020 174.700 -0.002 0.000 1.195 21 T CA 0.880 62.978 62.100 -0.002 0.000 1.002 21 T CB -0.300 68.567 68.868 -0.001 0.000 0.973 21 T HN 0.365 nan 8.240 nan 0.000 0.569 22 M N 0.968 120.566 119.600 -0.003 0.000 3.184 22 M HA 0.116 4.596 4.480 -0.001 0.000 0.187 22 M C 2.430 178.729 176.300 -0.002 0.000 1.866 22 M CA 0.792 56.091 55.300 -0.002 0.000 1.505 22 M CB -0.751 31.848 32.600 -0.001 0.000 1.032 22 M HN 0.229 nan 8.290 nan 0.000 0.597 23 T N -0.988 113.564 114.554 -0.002 0.000 3.139 23 T HA -0.097 4.252 4.350 -0.001 0.000 0.267 23 T C 0.444 175.142 174.700 -0.003 0.000 1.164 23 T CA 0.855 62.954 62.100 -0.002 0.000 1.075 23 T CB -0.683 68.185 68.868 0.001 0.000 0.904 23 T HN 0.195 nan 8.240 nan 0.000 0.540 24 D N 0.130 120.527 120.400 -0.005 0.000 2.518 24 D HA 0.448 5.087 4.640 -0.001 0.000 0.230 24 D C 0.400 176.697 176.300 -0.005 0.000 1.138 24 D CA -0.529 53.468 54.000 -0.006 0.000 0.964 24 D CB -0.168 40.627 40.800 -0.008 0.000 1.011 24 D HN 0.411 nan 8.370 nan 0.000 0.517 25 I N 1.750 122.318 120.570 -0.004 0.000 5.243 25 I HA -0.098 4.072 4.170 -0.001 0.000 0.324 25 I C 1.751 177.866 176.117 -0.004 0.000 1.093 25 I CA -0.060 61.238 61.300 -0.003 0.000 1.574 25 I CB -0.029 37.969 38.000 -0.002 0.000 1.991 25 I HN 0.167 nan 8.210 nan 0.000 0.636 26 L N 1.465 122.686 121.223 -0.004 0.000 2.129 26 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 26 L C 2.286 179.153 176.870 -0.006 0.000 1.087 26 L CA 2.604 57.441 54.840 -0.004 0.000 0.757 26 L CB -0.155 41.903 42.059 -0.003 0.000 0.896 26 L HN 0.438 nan 8.230 nan 0.000 0.434 27 S N -0.699 114.997 115.700 -0.007 0.000 2.371 27 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 27 S C 2.056 176.651 174.600 -0.008 0.000 1.029 27 S CA 0.820 59.015 58.200 -0.009 0.000 0.978 27 S CB -0.513 62.681 63.200 -0.011 0.000 0.833 27 S HN 0.500 nan 8.310 nan 0.000 0.466 28 R N 1.601 122.097 120.500 -0.006 0.000 2.313 28 R HA 0.295 4.635 4.340 -0.001 0.000 0.199 28 R C 0.935 177.232 176.300 -0.005 0.000 0.958 28 R CA 0.309 56.406 56.100 -0.005 0.000 1.047 28 R CB 0.039 30.337 30.300 -0.004 0.000 0.955 28 R HN 0.540 nan 8.270 nan 0.000 0.481 29 G N 0.502 109.299 108.800 -0.005 0.000 2.932 29 G HA2 0.404 4.363 3.960 -0.001 0.000 0.283 29 G HA3 0.404 4.363 3.960 -0.001 0.000 0.283 29 G C -2.469 172.428 174.900 -0.005 0.000 1.336 29 G CA -1.170 43.927 45.100 -0.004 0.000 1.056 29 G HN -0.065 nan 8.290 nan 0.000 0.522 30 P HA 0.110 nan 4.420 nan 0.000 0.265 30 P C 0.320 177.617 177.300 -0.005 0.000 1.187 30 P CA -0.147 62.950 63.100 -0.005 0.000 0.766 30 P CB 1.281 32.978 31.700 -0.004 0.000 0.820 31 K N 1.960 122.357 120.400 -0.006 0.000 2.127 31 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 31 K C 1.639 178.236 176.600 -0.006 0.000 1.047 31 K CA 2.005 58.288 56.287 -0.007 0.000 0.927 31 K CB -0.445 32.051 32.500 -0.007 0.000 0.716 31 K HN 0.580 nan 8.250 nan 0.000 0.450 32 S N -0.329 115.368 115.700 -0.005 0.000 2.679 32 S HA 0.104 4.574 4.470 -0.001 0.000 0.233 32 S C 0.434 175.031 174.600 -0.004 0.000 0.951 32 S CA -0.581 57.616 58.200 -0.005 0.000 0.973 32 S CB -0.571 62.627 63.200 -0.005 0.000 0.778 32 S HN 0.257 nan 8.310 nan 0.000 0.477 33 M N 2.620 122.218 119.600 -0.004 0.000 2.248 33 M HA 0.322 4.801 4.480 -0.001 0.000 0.345 33 M C -0.356 175.942 176.300 -0.003 0.000 1.243 33 M CA -0.084 55.214 55.300 -0.004 0.000 1.090 33 M CB 0.332 32.930 32.600 -0.003 0.000 1.683 33 M HN 0.570 nan 8.290 nan 0.000 0.450 34 I N 3.507 124.075 120.570 -0.003 0.000 2.441 34 I HA 0.635 4.805 4.170 -0.001 0.000 0.295 34 I C -1.086 175.030 176.117 -0.002 0.000 0.994 34 I CA -0.137 61.162 61.300 -0.003 0.000 1.144 34 I CB 2.024 40.023 38.000 -0.003 0.000 1.314 34 I HN 0.684 nan 8.210 nan 0.000 0.445 35 S N 6.942 122.642 115.700 -0.001 0.000 2.532 35 S HA 0.587 5.057 4.470 -0.001 0.000 0.299 35 S C -0.314 174.287 174.600 0.002 0.000 1.105 35 S CA -0.800 57.400 58.200 0.001 0.000 1.018 35 S CB 1.213 64.414 63.200 0.002 0.000 1.021 35 S HN 0.747 nan 8.310 nan 0.000 0.483 36 L N 4.009 125.233 121.223 0.003 0.000 3.094 36 L HA 0.476 4.816 4.340 -0.001 0.000 0.254 36 L C 1.270 178.144 176.870 0.006 0.000 1.298 36 L CA -0.301 54.542 54.840 0.004 0.000 1.050 36 L CB -0.100 41.961 42.059 0.003 0.000 1.420 36 L HN 0.753 nan 8.230 nan 0.000 0.548 37 A N -0.252 122.572 122.820 0.006 0.000 2.167 37 A HA 0.443 4.762 4.320 -0.001 0.000 0.208 37 A C 1.279 178.869 177.584 0.009 0.000 1.198 37 A CA 0.409 52.450 52.037 0.006 0.000 0.863 37 A CB 0.107 19.110 19.000 0.004 0.000 0.904 37 A HN 0.383 nan 8.150 nan 0.000 0.484 38 G N -1.060 107.747 108.800 0.012 0.000 2.569 38 G HA2 0.409 4.368 3.960 -0.001 0.000 0.249 38 G HA3 0.409 4.368 3.960 -0.001 0.000 0.249 38 G C 0.707 175.623 174.900 0.027 0.000 1.216 38 G CA 0.169 45.279 45.100 0.017 0.000 0.845 38 G HN 0.585 nan 8.290 nan 0.000 0.568 39 G N -0.197 108.622 108.800 0.031 0.000 3.523 39 G HA2 0.388 4.348 3.960 -0.001 0.000 0.270 39 G HA3 0.388 4.348 3.960 -0.001 0.000 0.270 39 G C 0.422 175.386 174.900 0.107 0.000 1.134 39 G CA -0.404 44.726 45.100 0.049 0.000 0.825 39 G HN 0.438 nan 8.290 nan 0.000 0.534 40 L N 1.084 122.379 121.223 0.120 0.000 2.421 40 L HA 0.482 4.822 4.340 -0.001 0.000 0.263 40 L C -1.754 175.205 176.870 0.147 0.000 1.122 40 L CA -1.975 52.990 54.840 0.209 0.000 0.804 40 L CB 0.532 42.721 42.059 0.217 0.000 1.150 40 L HN -0.075 nan 8.230 nan 0.000 0.457 41 P HA 0.170 nan 4.420 nan 0.000 0.282 41 P C -1.154 176.115 177.300 -0.053 0.000 1.259 41 P CA -0.768 62.371 63.100 0.065 0.000 0.826 41 P CB 0.546 32.322 31.700 0.126 0.000 1.064 42 N N 2.038 120.655 118.700 -0.138 0.000 2.423 42 N HA 0.008 4.748 4.740 -0.001 0.000 0.275 42 N C -1.208 173.983 175.510 -0.532 0.000 1.283 42 N CA -1.036 51.878 53.050 -0.227 0.000 0.932 42 N CB 0.291 38.674 38.487 -0.173 0.000 1.185 42 N HN 0.269 nan 8.380 nan 0.000 0.483 43 P HA -0.064 nan 4.420 nan 0.000 0.242 43 P C -0.102 176.918 177.300 -0.466 0.000 1.197 43 P CA 0.615 63.318 63.100 -0.662 0.000 0.765 43 P CB 0.330 31.986 31.700 -0.074 0.000 0.936 44 N N -0.412 118.087 118.700 -0.334 0.000 2.463 44 N HA 0.048 4.787 4.740 -0.001 0.000 0.181 44 N C 1.478 176.869 175.510 -0.197 0.000 1.078 44 N CA 0.628 53.569 53.050 -0.182 0.000 0.902 44 N CB -0.132 38.284 38.487 -0.119 0.000 0.970 44 N HN 0.127 nan 8.380 nan 0.000 0.451 45 M N -0.142 119.238 119.600 -0.367 0.000 2.492 45 M HA 0.087 4.566 4.480 -0.001 0.000 0.262 45 M C 0.242 176.491 176.300 -0.085 0.000 1.090 45 M CA 0.290 55.440 55.300 -0.251 0.000 1.110 45 M CB -0.793 31.639 32.600 -0.281 0.000 1.407 45 M HN -0.064 nan 8.290 nan 0.000 0.470 46 F N 1.667 121.602 119.950 -0.024 0.000 2.399 46 F HA 0.144 4.671 4.527 -0.001 0.000 0.342 46 F C -0.957 174.788 175.800 -0.091 0.000 1.106 46 F CA -1.966 56.011 58.000 -0.038 0.000 1.196 46 F CB 0.424 39.444 39.000 0.035 0.000 1.163 46 F HN 0.009 nan 8.300 nan 0.000 0.547 47 P HA -0.092 nan 4.420 nan 0.000 0.225 47 P C -0.228 176.931 177.300 -0.235 0.000 1.156 47 P CA 0.933 63.884 63.100 -0.248 0.000 0.787 47 P CB 0.016 31.433 31.700 -0.472 0.000 0.802 48 F N 0.149 120.137 119.950 0.064 0.000 2.412 48 F HA 0.320 4.846 4.527 -0.001 0.000 0.348 48 F C 1.736 177.593 175.800 0.095 0.000 1.102 48 F CA -0.376 57.654 58.000 0.050 0.000 1.196 48 F CB 0.562 39.565 39.000 0.005 0.000 1.144 48 F HN -0.362 nan 8.300 nan 0.000 0.541 49 K N 0.261 120.818 120.400 0.261 0.000 2.380 49 K HA 0.182 4.501 4.320 -0.001 0.000 0.200 49 K C 0.359 177.066 176.600 0.178 0.000 1.201 49 K CA 0.768 57.160 56.287 0.176 0.000 0.916 49 K CB 0.493 33.056 32.500 0.104 0.000 1.187 49 K HN 0.800 nan 8.250 nan 0.000 0.498 50 T N -1.917 112.744 114.554 0.179 0.000 2.843 50 T HA 0.822 5.172 4.350 -0.001 0.000 0.302 50 T C -1.421 173.369 174.700 0.151 0.000 1.232 50 T CA -0.923 61.274 62.100 0.161 0.000 1.009 50 T CB 2.348 71.274 68.868 0.097 0.000 1.254 50 T HN 0.045 nan 8.240 nan 0.000 0.504 51 A N 0.963 123.845 122.820 0.103 0.000 2.422 51 A HA 0.745 5.065 4.320 -0.001 0.000 0.302 51 A C -1.074 176.440 177.584 -0.117 0.000 1.041 51 A CA -0.819 51.204 52.037 -0.022 0.000 0.708 51 A CB 1.863 20.805 19.000 -0.097 0.000 1.257 51 A HN 1.110 nan 8.150 nan 0.000 0.414 52 V N 3.356 123.208 119.914 -0.104 0.000 2.325 52 V HA 0.398 4.517 4.120 -0.001 0.000 0.280 52 V C -0.645 175.364 176.094 -0.142 0.000 1.016 52 V CA -0.018 62.211 62.300 -0.118 0.000 0.818 52 V CB 0.606 32.391 31.823 -0.064 0.000 1.019 52 V HN 0.686 nan 8.190 nan 0.000 0.434 53 I N 4.500 124.948 120.570 -0.204 0.000 2.362 53 I HA 0.411 4.581 4.170 -0.001 0.000 0.289 53 I C 0.864 176.887 176.117 -0.157 0.000 0.994 53 I CA -0.183 61.006 61.300 -0.185 0.000 1.158 53 I CB 2.128 39.980 38.000 -0.246 0.000 1.315 53 I HN 0.676 nan 8.210 nan 0.000 0.451 54 T N 3.347 117.832 114.554 -0.116 0.000 2.899 54 T HA 0.632 4.982 4.350 -0.001 0.000 0.295 54 T C -0.176 174.457 174.700 -0.112 0.000 1.033 54 T CA -0.652 61.390 62.100 -0.098 0.000 1.084 54 T CB 1.609 70.438 68.868 -0.065 0.000 0.979 54 T HN 0.239 nan 8.240 nan 0.000 0.532 55 V N 1.707 121.559 119.914 -0.103 0.000 2.686 55 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 55 V C -0.081 175.986 176.094 -0.045 0.000 1.065 55 V CA -1.054 61.175 62.300 -0.119 0.000 0.894 55 V CB 1.740 33.445 31.823 -0.197 0.000 1.004 55 V HN 1.088 nan 8.190 nan 0.000 0.424 56 E N 4.067 124.264 120.200 -0.006 0.000 2.259 56 E HA 0.290 4.640 4.350 -0.001 0.000 0.281 56 E C 0.242 176.911 176.600 0.116 0.000 1.037 56 E CA 0.139 56.566 56.400 0.045 0.000 0.854 56 E CB 0.093 29.821 29.700 0.047 0.000 1.051 56 E HN 0.748 nan 8.360 nan 0.000 0.409 57 N N 2.212 120.975 118.700 0.104 0.000 2.783 57 N HA -0.167 4.572 4.740 -0.001 0.000 0.247 57 N C -0.815 174.826 175.510 0.218 0.000 1.089 57 N CA 0.370 53.507 53.050 0.144 0.000 0.690 57 N CB -0.881 37.700 38.487 0.157 0.000 0.991 57 N HN 0.633 nan 8.380 nan 0.000 0.552 58 G N -0.221 108.655 108.800 0.127 0.000 2.667 58 G HA2 0.388 4.347 3.960 -0.001 0.000 0.294 58 G HA3 0.388 4.347 3.960 -0.001 0.000 0.294 58 G C -1.452 173.444 174.900 -0.008 0.000 1.467 58 G CA -0.753 44.392 45.100 0.074 0.000 0.852 58 G HN 0.040 nan 8.290 nan 0.000 0.521 59 K N 0.604 120.981 120.400 -0.039 0.000 2.270 59 K HA 0.396 4.715 4.320 -0.001 0.000 0.276 59 K C 0.733 177.281 176.600 -0.088 0.000 1.023 59 K CA -0.138 56.121 56.287 -0.045 0.000 0.955 59 K CB 0.801 33.280 32.500 -0.036 0.000 0.975 59 K HN 0.673 nan 8.250 nan 0.000 0.471 60 T N 2.745 117.256 114.554 -0.071 0.000 2.901 60 T HA 0.218 4.568 4.350 -0.001 0.000 0.301 60 T C 0.518 175.153 174.700 -0.107 0.000 1.012 60 T CA -0.500 61.544 62.100 -0.093 0.000 1.135 60 T CB 0.071 68.895 68.868 -0.073 0.000 0.936 60 T HN 0.399 nan 8.240 nan 0.000 0.539 61 I N 3.673 124.153 120.570 -0.151 0.000 2.428 61 I HA 0.262 4.432 4.170 -0.001 0.000 0.289 61 I C 0.687 176.709 176.117 -0.158 0.000 1.019 61 I CA -0.364 60.842 61.300 -0.157 0.000 1.351 61 I CB 1.014 38.879 38.000 -0.226 0.000 1.412 61 I HN 0.627 nan 8.210 nan 0.000 0.513 62 Q N 5.753 125.521 119.800 -0.054 0.000 2.292 62 Q HA 0.415 4.755 4.340 -0.001 0.000 0.270 62 Q C -1.513 174.631 176.000 0.240 0.000 1.024 62 Q CA -0.706 55.096 55.803 -0.001 0.000 0.768 62 Q CB 2.386 31.128 28.738 0.005 0.000 1.250 62 Q HN 0.396 nan 8.270 nan 0.000 0.447 63 F N 1.731 121.627 119.950 -0.090 0.000 2.368 63 F HA 0.319 4.846 4.527 -0.001 0.000 0.362 63 F C 1.161 176.947 175.800 -0.022 0.000 1.137 63 F CA -1.039 56.917 58.000 -0.074 0.000 1.161 63 F CB 0.047 38.993 39.000 -0.091 0.000 1.265 63 F HN 0.569 nan 8.300 nan 0.000 0.530 64 G N 2.042 110.930 108.800 0.145 0.000 2.593 64 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.279 64 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.279 64 G C 1.078 176.030 174.900 0.086 0.000 1.329 64 G CA -0.111 45.041 45.100 0.087 0.000 1.036 64 G HN 0.663 nan 8.290 nan 0.000 0.555 65 E N -0.755 119.480 120.200 0.059 0.000 2.023 65 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 65 E C 2.188 178.813 176.600 0.042 0.000 1.003 65 E CA 1.486 57.920 56.400 0.056 0.000 0.809 65 E CB -0.089 29.633 29.700 0.037 0.000 0.755 65 E HN 0.459 nan 8.360 nan 0.000 0.449 66 E N 0.378 120.586 120.200 0.012 0.000 2.038 66 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 66 E C 1.988 178.566 176.600 -0.038 0.000 1.000 66 E CA 1.206 57.600 56.400 -0.011 0.000 0.803 66 E CB -0.502 29.183 29.700 -0.025 0.000 0.750 66 E HN 0.288 nan 8.360 nan 0.000 0.448 67 M N 0.366 119.920 119.600 -0.076 0.000 2.088 67 M HA -0.197 4.283 4.480 -0.001 0.000 0.256 67 M C 2.215 178.407 176.300 -0.180 0.000 1.071 67 M CA 1.522 56.702 55.300 -0.199 0.000 1.097 67 M CB -0.649 31.812 32.600 -0.232 0.000 1.315 67 M HN 0.124 nan 8.290 nan 0.000 0.406 68 M N 0.038 119.655 119.600 0.028 0.000 2.080 68 M HA -0.214 4.266 4.480 -0.001 0.000 0.260 68 M C 1.852 178.257 176.300 0.175 0.000 1.068 68 M CA 1.955 57.374 55.300 0.198 0.000 1.109 68 M CB -0.548 32.215 32.600 0.272 0.000 1.342 68 M HN 0.255 nan 8.290 nan 0.000 0.405 69 K N -0.944 119.527 120.400 0.119 0.000 2.044 69 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 69 K C 2.205 178.863 176.600 0.096 0.000 1.049 69 K CA 1.965 58.325 56.287 0.122 0.000 0.927 69 K CB -0.455 32.084 32.500 0.065 0.000 0.713 69 K HN 0.403 nan 8.250 nan 0.000 0.443 70 R N 0.911 121.418 120.500 0.011 0.000 2.091 70 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 70 R C 2.194 178.489 176.300 -0.009 0.000 1.136 70 R CA 1.585 57.669 56.100 -0.025 0.000 0.959 70 R CB -0.288 29.951 30.300 -0.103 0.000 0.856 70 R HN 0.207 nan 8.270 nan 0.000 0.437 71 A N 0.928 123.730 122.820 -0.030 0.000 2.019 71 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 71 A C 2.084 179.813 177.584 0.242 0.000 1.164 71 A CA 1.004 53.080 52.037 0.065 0.000 0.644 71 A CB -0.303 18.721 19.000 0.040 0.000 0.805 71 A HN 0.382 nan 8.150 nan 0.000 0.449 72 L N -1.104 120.256 121.223 0.229 0.000 2.554 72 L HA 0.060 4.399 4.340 -0.001 0.000 0.226 72 L C 1.111 178.039 176.870 0.098 0.000 1.137 72 L CA 0.064 54.999 54.840 0.157 0.000 0.863 72 L CB -0.170 42.048 42.059 0.265 0.000 0.985 72 L HN 0.447 nan 8.230 nan 0.000 0.451 73 Q N -0.800 119.084 119.800 0.140 0.000 2.248 73 Q HA 0.260 4.599 4.340 -0.001 0.000 0.263 73 Q C -0.605 175.447 176.000 0.087 0.000 1.007 73 Q CA -0.563 55.312 55.803 0.122 0.000 0.877 73 Q CB 0.919 29.751 28.738 0.157 0.000 1.315 73 Q HN -0.023 nan 8.270 nan 0.000 0.454 74 Y N 0.650 121.032 120.300 0.135 0.000 2.341 74 Y HA 0.265 4.815 4.550 -0.000 0.000 0.357 74 Y C 0.746 176.532 175.900 -0.191 0.000 1.261 74 Y CA 1.218 59.356 58.100 0.065 0.000 1.547 74 Y CB 0.355 38.876 38.460 0.102 0.000 1.363 74 Y HN 0.766 nan 8.280 nan 0.000 0.692 75 S N -1.930 113.578 115.700 -0.319 0.000 2.645 75 S HA 0.450 4.920 4.470 -0.001 0.000 0.268 75 S C -3.330 171.047 174.600 -0.372 0.000 1.110 75 S CA -1.664 56.327 58.200 -0.348 0.000 0.823 75 S CB 1.152 64.161 63.200 -0.319 0.000 1.091 75 S HN 0.196 nan 8.310 nan 0.000 0.466 76 P HA 0.220 nan 4.420 nan 0.000 0.266 76 P C 0.892 178.180 177.300 -0.019 0.000 1.193 76 P CA -0.025 63.030 63.100 -0.075 0.000 0.770 76 P CB 0.330 32.006 31.700 -0.040 0.000 0.836 77 S N 2.264 117.988 115.700 0.039 0.000 2.374 77 S HA -0.239 4.231 4.470 -0.001 0.000 0.227 77 S C 1.790 176.443 174.600 0.090 0.000 1.037 77 S CA 1.574 59.835 58.200 0.102 0.000 1.024 77 S CB -1.017 62.222 63.200 0.066 0.000 0.861 77 S HN 0.636 nan 8.310 nan 0.000 0.456 78 A N 1.090 123.941 122.820 0.052 0.000 2.208 78 A HA 0.543 4.862 4.320 -0.001 0.000 0.209 78 A C 1.109 178.723 177.584 0.050 0.000 1.161 78 A CA 0.606 52.670 52.037 0.045 0.000 0.782 78 A CB -0.596 18.420 19.000 0.026 0.000 0.816 78 A HN 1.120 nan 8.150 nan 0.000 0.477 79 G N -0.713 108.116 108.800 0.048 0.000 2.362 79 G HA2 0.216 4.176 3.960 -0.001 0.000 0.656 79 G HA3 0.216 4.176 3.960 -0.001 0.000 0.656 79 G C -0.201 174.701 174.900 0.004 0.000 1.376 79 G CA -0.561 44.564 45.100 0.041 0.000 0.971 79 G HN 1.268 nan 8.290 nan 0.000 0.636 80 I N -0.256 120.310 120.570 -0.007 0.000 2.775 80 I HA 0.330 4.500 4.170 -0.001 0.000 0.290 80 I C -0.836 175.273 176.117 -0.013 0.000 1.203 80 I CA -1.133 60.150 61.300 -0.028 0.000 1.433 80 I CB 0.877 38.849 38.000 -0.046 0.000 1.354 80 I HN 0.313 nan 8.210 nan 0.000 0.579 81 P HA -0.188 nan 4.420 nan 0.000 0.217 81 P C 1.156 178.467 177.300 0.019 0.000 1.151 81 P CA 1.388 64.486 63.100 -0.003 0.000 0.828 81 P CB -0.177 31.515 31.700 -0.014 0.000 0.788 82 E N 0.300 120.502 120.200 0.002 0.000 2.150 82 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 82 E C 2.152 178.856 176.600 0.173 0.000 0.985 82 E CA 0.809 57.236 56.400 0.044 0.000 0.814 82 E CB -1.248 28.389 29.700 -0.105 0.000 0.752 82 E HN 0.276 nan 8.360 nan 0.000 0.466 83 L N -0.042 121.234 121.223 0.090 0.000 2.131 83 L HA -0.094 4.246 4.340 -0.001 0.000 0.206 83 L C 2.454 179.377 176.870 0.088 0.000 1.087 83 L CA 0.391 55.288 54.840 0.096 0.000 0.767 83 L CB -0.113 41.961 42.059 0.024 0.000 0.917 83 L HN 0.127 nan 8.230 nan 0.000 0.441 84 L N -0.113 121.141 121.223 0.052 0.000 2.012 84 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 84 L C 2.932 179.822 176.870 0.033 0.000 1.073 84 L CA 2.288 57.142 54.840 0.024 0.000 0.748 84 L CB -0.935 41.134 42.059 0.018 0.000 0.891 84 L HN 0.389 nan 8.230 nan 0.000 0.431 85 S N -2.728 113.013 115.700 0.069 0.000 2.406 85 S HA -0.241 4.229 4.470 -0.001 0.000 0.228 85 S C 1.918 176.557 174.600 0.064 0.000 1.020 85 S CA 0.669 58.904 58.200 0.059 0.000 0.965 85 S CB -1.203 62.039 63.200 0.071 0.000 0.798 85 S HN 0.535 nan 8.310 nan 0.000 0.488 86 W N 1.436 122.703 121.300 -0.056 0.000 2.358 86 W HA 0.028 4.688 4.660 -0.001 0.000 0.303 86 W C 1.779 178.177 176.519 -0.201 0.000 1.208 86 W CA 0.756 58.000 57.345 -0.169 0.000 1.274 86 W CB -0.194 29.099 29.460 -0.279 0.000 1.138 86 W HN 0.213 nan 8.180 nan 0.000 0.515 87 L N 0.747 122.032 121.223 0.104 0.000 2.109 87 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 87 L C 2.190 178.962 176.870 -0.163 0.000 1.086 87 L CA 1.735 56.502 54.840 -0.120 0.000 0.760 87 L CB -1.521 40.318 42.059 -0.367 0.000 0.910 87 L HN -0.024 nan 8.230 nan 0.000 0.437 88 K N -1.135 119.200 120.400 -0.108 0.000 2.025 88 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 88 K C 2.131 178.654 176.600 -0.128 0.000 1.049 88 K CA 0.993 57.227 56.287 -0.087 0.000 0.933 88 K CB -0.032 32.435 32.500 -0.055 0.000 0.714 88 K HN 0.074 nan 8.250 nan 0.000 0.438 89 Q N 1.261 120.951 119.800 -0.184 0.000 2.045 89 Q HA -0.185 4.155 4.340 -0.001 0.000 0.206 89 Q C 1.980 177.806 176.000 -0.290 0.000 0.991 89 Q CA 1.524 57.183 55.803 -0.241 0.000 0.851 89 Q CB -0.558 27.996 28.738 -0.307 0.000 0.911 89 Q HN 0.268 nan 8.270 nan 0.000 0.418 90 L N 0.448 121.418 121.223 -0.422 0.000 2.013 90 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 90 L C 2.177 178.958 176.870 -0.147 0.000 1.073 90 L CA 1.934 56.548 54.840 -0.377 0.000 0.753 90 L CB -0.511 41.255 42.059 -0.487 0.000 0.890 90 L HN 0.241 nan 8.230 nan 0.000 0.432 91 Q N -0.322 119.450 119.800 -0.048 0.000 2.124 91 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 91 Q C 2.364 178.364 176.000 -0.000 0.000 0.977 91 Q CA 2.124 57.987 55.803 0.100 0.000 0.850 91 Q CB -0.401 28.412 28.738 0.126 0.000 0.901 91 Q HN 0.634 nan 8.270 nan 0.000 0.429 92 I N 0.749 121.276 120.570 -0.071 0.000 2.179 92 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 92 I C 2.420 178.472 176.117 -0.108 0.000 1.088 92 I CA 1.138 62.383 61.300 -0.092 0.000 1.357 92 I CB -0.255 37.681 38.000 -0.106 0.000 1.051 92 I HN 0.067 nan 8.210 nan 0.000 0.409 93 K N 0.779 121.098 120.400 -0.136 0.000 2.002 93 K HA -0.073 4.246 4.320 -0.001 0.000 0.209 93 K C 2.118 178.619 176.600 -0.165 0.000 1.048 93 K CA 1.476 57.682 56.287 -0.134 0.000 0.930 93 K CB -0.550 31.867 32.500 -0.138 0.000 0.714 93 K HN 0.335 nan 8.250 nan 0.000 0.438 94 L N 0.002 121.072 121.223 -0.256 0.000 2.141 94 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 94 L C 1.807 178.304 176.870 -0.622 0.000 1.094 94 L CA 1.148 55.706 54.840 -0.469 0.000 0.763 94 L CB -0.367 41.235 42.059 -0.762 0.000 0.908 94 L HN 0.301 nan 8.230 nan 0.000 0.437 95 H N -1.412 117.619 119.070 -0.066 0.000 3.440 95 H HA 0.157 4.713 4.556 -0.000 0.000 0.259 95 H C 0.067 175.338 175.328 -0.095 0.000 1.120 95 H CA -0.022 55.971 56.048 -0.092 0.000 1.191 95 H CB 0.425 30.110 29.762 -0.128 0.000 1.537 95 H HN 0.295 nan 8.280 nan 0.000 0.547 96 N N 0.664 119.350 118.700 -0.024 0.000 2.714 96 N HA -0.110 4.629 4.740 -0.001 0.000 0.253 96 N C -2.710 172.765 175.510 -0.060 0.000 1.024 96 N CA 0.151 53.170 53.050 -0.052 0.000 0.726 96 N CB -1.870 36.587 38.487 -0.050 0.000 0.908 96 N HN 0.309 nan 8.380 nan 0.000 0.542 97 P HA 0.172 nan 4.420 nan 0.000 0.271 97 P C -1.615 175.583 177.300 -0.170 0.000 1.233 97 P CA -1.119 61.912 63.100 -0.114 0.000 0.764 97 P CB 0.423 32.047 31.700 -0.126 0.000 0.825 98 P HA -0.124 nan 4.420 nan 0.000 0.227 98 P C 1.105 178.188 177.300 -0.362 0.000 1.145 98 P CA 1.443 64.462 63.100 -0.135 0.000 0.769 98 P CB -0.031 31.637 31.700 -0.054 0.000 0.769 99 T N -1.402 112.820 114.554 -0.554 0.000 3.069 99 T HA 0.109 4.459 4.350 -0.001 0.000 0.252 99 T C 1.413 175.791 174.700 -0.538 0.000 1.053 99 T CA -0.190 61.320 62.100 -0.985 0.000 0.964 99 T CB -0.668 67.849 68.868 -0.585 0.000 1.005 99 T HN 0.081 nan 8.240 nan 0.000 0.532 100 I N -1.315 119.028 120.570 -0.378 0.000 2.264 100 I HA -0.118 4.052 4.170 -0.001 0.000 0.248 100 I C 1.601 177.557 176.117 -0.268 0.000 1.111 100 I CA 1.741 62.827 61.300 -0.358 0.000 1.382 100 I CB -0.507 37.215 38.000 -0.463 0.000 1.060 100 I HN 0.282 nan 8.210 nan 0.000 0.418 101 H N -1.267 117.828 119.070 0.042 0.000 2.594 101 H HA 0.332 4.888 4.556 -0.001 0.000 0.279 101 H C -0.220 175.256 175.328 0.247 0.000 1.042 101 H CA -0.581 55.535 56.048 0.113 0.000 1.177 101 H CB 0.057 29.877 29.762 0.096 0.000 1.524 101 H HN 0.268 nan 8.280 nan 0.000 0.537 102 Y N 1.788 122.147 120.300 0.098 0.000 2.788 102 Y HA -0.037 4.513 4.550 -0.001 0.000 0.341 102 Y C -1.835 174.111 175.900 0.077 0.000 1.258 102 Y CA -2.338 55.810 58.100 0.081 0.000 1.503 102 Y CB -0.094 38.410 38.460 0.074 0.000 1.325 102 Y HN 0.033 nan 8.280 nan 0.000 0.614 103 P HA -0.106 nan 4.420 nan 0.000 0.264 103 P C -1.907 175.484 177.300 0.152 0.000 1.179 103 P CA -0.623 62.561 63.100 0.139 0.000 0.763 103 P CB 0.184 31.939 31.700 0.092 0.000 0.806 104 P HA -0.300 nan 4.420 nan 0.000 0.216 104 P C 1.516 178.879 177.300 0.105 0.000 1.167 104 P CA 2.351 65.501 63.100 0.083 0.000 0.933 104 P CB -0.545 31.189 31.700 0.056 0.000 0.793 105 S N -1.770 113.999 115.700 0.114 0.000 2.442 105 S HA -0.139 4.331 4.470 -0.001 0.000 0.236 105 S C 1.207 175.954 174.600 0.245 0.000 1.007 105 S CA 0.646 58.936 58.200 0.150 0.000 0.965 105 S CB -0.856 62.412 63.200 0.113 0.000 0.773 105 S HN 0.233 nan 8.310 nan 0.000 0.504 106 Q N 0.246 120.185 119.800 0.231 0.000 2.177 106 Q HA 0.504 4.843 4.340 -0.001 0.000 0.183 106 Q C 0.673 176.934 176.000 0.434 0.000 1.040 106 Q CA -0.149 55.833 55.803 0.298 0.000 1.089 106 Q CB 0.223 29.075 28.738 0.188 0.000 1.130 106 Q HN 0.438 nan 8.270 nan 0.000 0.575 107 G N 0.859 109.975 108.800 0.527 0.000 3.455 107 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.250 107 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.250 107 G C -0.144 174.830 174.900 0.123 0.000 1.071 107 G CA -0.065 45.267 45.100 0.387 0.000 1.812 107 G HN 0.385 nan 8.290 nan 0.000 0.643 108 Q N 0.837 120.706 119.800 0.115 0.000 2.274 108 Q HA 0.135 4.474 4.340 -0.001 0.000 0.280 108 Q C 0.694 176.664 176.000 -0.050 0.000 1.047 108 Q CA -0.307 55.515 55.803 0.031 0.000 0.907 108 Q CB 0.454 29.238 28.738 0.076 0.000 1.171 108 Q HN 0.375 nan 8.270 nan 0.000 0.381 109 M N 3.987 123.527 119.600 -0.101 0.000 2.327 109 M HA -0.048 4.431 4.480 -0.001 0.000 0.353 109 M C -0.675 175.584 176.300 -0.067 0.000 1.539 109 M CA 0.817 56.054 55.300 -0.103 0.000 1.039 109 M CB 0.239 32.762 32.600 -0.128 0.000 1.967 109 M HN 0.711 nan 8.290 nan 0.000 0.459 110 D N 3.861 124.223 120.400 -0.062 0.000 2.497 110 D HA 0.755 5.394 4.640 -0.001 0.000 0.243 110 D C -1.768 174.515 176.300 -0.029 0.000 1.039 110 D CA -0.441 53.535 54.000 -0.041 0.000 1.052 110 D CB 1.832 42.607 40.800 -0.041 0.000 1.344 110 D HN 0.637 nan 8.370 nan 0.000 0.553 111 L N 0.545 121.764 121.223 -0.008 0.000 2.505 111 L HA 0.580 4.919 4.340 -0.001 0.000 0.259 111 L C -1.881 175.008 176.870 0.032 0.000 0.952 111 L CA -0.479 54.374 54.840 0.022 0.000 0.840 111 L CB 1.739 43.817 42.059 0.031 0.000 1.358 111 L HN 0.614 nan 8.230 nan 0.000 0.409 112 C N 4.543 123.878 119.300 0.059 0.000 2.608 112 C HA 0.744 5.204 4.460 -0.001 0.000 0.325 112 C C -0.575 174.475 174.990 0.101 0.000 1.147 112 C CA -0.504 58.549 59.018 0.058 0.000 1.359 112 C CB 1.035 28.793 27.740 0.031 0.000 1.912 112 C HN 0.660 nan 8.230 nan 0.000 0.466 113 V N 5.934 125.906 119.914 0.097 0.000 2.614 113 V HA 0.607 4.727 4.120 -0.001 0.000 0.291 113 V C 0.968 177.123 176.094 0.102 0.000 1.049 113 V CA 0.560 62.937 62.300 0.129 0.000 1.038 113 V CB 1.327 33.211 31.823 0.103 0.000 0.980 113 V HN 1.073 nan 8.190 nan 0.000 0.481 114 T N 0.360 114.974 114.554 0.101 0.000 2.883 114 T HA 0.406 4.755 4.350 -0.001 0.000 0.296 114 T C -0.219 174.516 174.700 0.058 0.000 1.117 114 T CA -0.725 61.407 62.100 0.053 0.000 1.006 114 T CB 1.751 70.623 68.868 0.008 0.000 1.191 114 T HN 0.369 nan 8.240 nan 0.000 0.508 115 S N 1.340 117.057 115.700 0.029 0.000 4.087 115 S HA 0.594 5.063 4.470 -0.001 0.000 0.213 115 S C 0.744 175.360 174.600 0.027 0.000 1.415 115 S CA 0.116 58.335 58.200 0.032 0.000 0.893 115 S CB -0.879 62.324 63.200 0.004 0.000 1.529 115 S HN 1.546 nan 8.310 nan 0.000 0.457 116 G N 1.736 110.563 108.800 0.045 0.000 2.879 116 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.686 116 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.686 116 G C 0.698 175.590 174.900 -0.014 0.000 1.115 116 G CA -0.324 44.792 45.100 0.027 0.000 0.770 116 G HN 0.782 nan 8.290 nan 0.000 0.601 117 S N 1.017 116.688 115.700 -0.049 0.000 2.380 117 S HA -0.306 4.163 4.470 -0.001 0.000 0.229 117 S C 2.104 176.647 174.600 -0.095 0.000 1.043 117 S CA 2.390 60.522 58.200 -0.113 0.000 1.038 117 S CB -0.287 62.810 63.200 -0.172 0.000 0.872 117 S HN 1.152 nan 8.310 nan 0.000 0.456 118 Q N 1.039 120.806 119.800 -0.054 0.000 2.234 118 Q HA -0.133 4.207 4.340 -0.001 0.000 0.206 118 Q C 2.331 178.288 176.000 -0.071 0.000 0.980 118 Q CA 1.867 57.648 55.803 -0.036 0.000 0.869 118 Q CB -0.386 28.368 28.738 0.026 0.000 0.912 118 Q HN 0.853 nan 8.270 nan 0.000 0.436 119 Q N -1.347 118.414 119.800 -0.065 0.000 2.083 119 Q HA -0.119 4.221 4.340 -0.001 0.000 0.198 119 Q C 1.885 177.811 176.000 -0.123 0.000 0.969 119 Q CA 1.346 57.098 55.803 -0.086 0.000 0.838 119 Q CB -0.366 28.332 28.738 -0.066 0.000 0.900 119 Q HN 0.524 nan 8.270 nan 0.000 0.436 120 G N 1.339 110.069 108.800 -0.118 0.000 2.476 120 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 120 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 120 G C 1.382 176.149 174.900 -0.223 0.000 1.164 120 G CA 1.133 46.148 45.100 -0.140 0.000 0.768 120 G HN 0.313 nan 8.290 nan 0.000 0.560 121 L N -0.150 120.903 121.223 -0.283 0.000 2.046 121 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 121 L C 3.024 179.446 176.870 -0.746 0.000 1.077 121 L CA 1.302 55.827 54.840 -0.525 0.000 0.747 121 L CB -0.786 41.001 42.059 -0.454 0.000 0.896 121 L HN 0.406 nan 8.230 nan 0.000 0.432 122 C N 0.617 119.674 119.300 -0.406 0.000 2.413 122 C HA -0.205 4.255 4.460 -0.001 0.000 0.278 122 C C 2.808 177.715 174.990 -0.139 0.000 1.224 122 C CA 1.168 60.052 59.018 -0.224 0.000 1.732 122 C CB -0.684 27.001 27.740 -0.092 0.000 2.050 122 C HN 0.434 nan 8.230 nan 0.000 0.463 123 K N 0.063 120.383 120.400 -0.134 0.000 2.442 123 K HA -0.060 4.260 4.320 -0.001 0.000 0.198 123 K C 1.716 178.311 176.600 -0.008 0.000 1.044 123 K CA 1.070 57.336 56.287 -0.035 0.000 0.948 123 K CB -0.064 32.388 32.500 -0.080 0.000 0.762 123 K HN 0.508 nan 8.250 nan 0.000 0.472 124 V N 0.440 120.273 119.914 -0.135 0.000 2.446 124 V HA -0.122 3.997 4.120 -0.001 0.000 0.244 124 V C 1.796 177.923 176.094 0.054 0.000 1.039 124 V CA 1.263 63.501 62.300 -0.103 0.000 1.045 124 V CB -0.459 31.210 31.823 -0.257 0.000 0.681 124 V HN 0.248 nan 8.190 nan 0.000 0.459 125 F N 0.536 120.462 119.950 -0.041 0.000 2.202 125 F HA -0.200 4.327 4.527 -0.001 0.000 0.301 125 F C 2.467 178.318 175.800 0.085 0.000 1.082 125 F CA 1.382 59.396 58.000 0.023 0.000 1.313 125 F CB -0.024 38.980 39.000 0.007 0.000 1.024 125 F HN 0.243 nan 8.300 nan 0.000 0.495 126 E N 0.069 120.417 120.200 0.246 0.000 2.140 126 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 126 E C 2.116 178.810 176.600 0.157 0.000 0.973 126 E CA 0.374 56.888 56.400 0.190 0.000 0.829 126 E CB -0.092 29.729 29.700 0.201 0.000 0.781 126 E HN 0.317 nan 8.360 nan 0.000 0.466 127 M N 0.529 120.222 119.600 0.156 0.000 2.346 127 M HA -0.149 4.331 4.480 -0.001 0.000 0.263 127 M C 1.218 177.614 176.300 0.160 0.000 1.064 127 M CA 1.566 56.944 55.300 0.130 0.000 1.083 127 M CB 0.111 32.777 32.600 0.110 0.000 1.399 127 M HN 0.105 nan 8.290 nan 0.000 0.435 128 I N -0.785 119.913 120.570 0.215 0.000 3.565 128 I HA 0.141 4.311 4.170 -0.001 0.000 0.287 128 I C 0.458 176.703 176.117 0.214 0.000 1.193 128 I CA -0.053 61.407 61.300 0.267 0.000 1.402 128 I CB 0.485 38.732 38.000 0.412 0.000 1.284 128 I HN 0.026 nan 8.210 nan 0.000 0.454 129 I N 2.709 123.398 120.570 0.198 0.000 2.325 129 I HA 0.161 4.331 4.170 -0.001 0.000 0.291 129 I C -0.574 175.579 176.117 0.061 0.000 1.019 129 I CA -0.297 61.076 61.300 0.123 0.000 1.302 129 I CB 0.397 38.470 38.000 0.122 0.000 1.401 129 I HN 0.156 nan 8.210 nan 0.000 0.485 130 N N 7.867 126.581 118.700 0.024 0.000 2.473 130 N HA 0.349 5.089 4.740 -0.001 0.000 0.291 130 N C -2.514 172.985 175.510 -0.019 0.000 1.083 130 N CA -1.683 51.367 53.050 0.001 0.000 0.951 130 N CB 1.128 39.611 38.487 -0.007 0.000 1.164 130 N HN 0.199 nan 8.380 nan 0.000 0.480 131 P HA -0.004 nan 4.420 nan 0.000 0.260 131 P C 0.891 178.170 177.300 -0.035 0.000 1.172 131 P CA 1.017 64.095 63.100 -0.036 0.000 0.760 131 P CB 0.272 31.953 31.700 -0.032 0.000 0.773 132 G N 2.525 111.299 108.800 -0.043 0.000 2.279 132 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.223 132 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.223 132 G C 0.009 174.883 174.900 -0.043 0.000 1.015 132 G CA -0.296 44.784 45.100 -0.033 0.000 0.621 132 G HN 0.504 nan 8.290 nan 0.000 0.506 133 D N 1.705 122.068 120.400 -0.061 0.000 2.601 133 D HA 0.201 4.841 4.640 -0.001 0.000 0.229 133 D C 0.365 176.583 176.300 -0.138 0.000 1.140 133 D CA 0.538 54.479 54.000 -0.099 0.000 0.862 133 D CB 0.273 41.014 40.800 -0.099 0.000 1.192 133 D HN 0.287 nan 8.370 nan 0.000 0.480 134 N N 0.958 119.554 118.700 -0.174 0.000 2.437 134 N HA 0.280 5.019 4.740 -0.001 0.000 0.259 134 N C -0.457 174.838 175.510 -0.358 0.000 0.983 134 N CA -0.461 52.475 53.050 -0.190 0.000 0.937 134 N CB 1.534 39.960 38.487 -0.102 0.000 1.122 134 N HN 0.191 nan 8.380 nan 0.000 0.499 135 V N 0.503 120.173 119.914 -0.407 0.000 2.881 135 V HA 0.703 4.823 4.120 -0.001 0.000 0.316 135 V C -0.402 175.460 176.094 -0.386 0.000 1.070 135 V CA -0.872 61.036 62.300 -0.653 0.000 0.976 135 V CB 1.711 32.950 31.823 -0.974 0.000 1.038 135 V HN 0.358 nan 8.190 nan 0.000 0.446 136 L N 5.038 126.055 121.223 -0.343 0.000 2.341 136 L HA 0.828 5.168 4.340 -0.001 0.000 0.278 136 L C -0.455 176.417 176.870 0.005 0.000 1.005 136 L CA -0.457 54.281 54.840 -0.171 0.000 0.818 136 L CB 1.601 43.499 42.059 -0.268 0.000 1.259 136 L HN 0.902 nan 8.230 nan 0.000 0.418 137 L N 0.859 122.110 121.223 0.047 0.000 2.940 137 L HA 0.571 4.911 4.340 -0.001 0.000 0.270 137 L C -2.193 174.736 176.870 0.097 0.000 1.030 137 L CA -0.853 54.075 54.840 0.145 0.000 0.928 137 L CB 2.586 44.830 42.059 0.310 0.000 1.506 137 L HN 0.614 nan 8.230 nan 0.000 0.405 138 D N 0.447 120.911 120.400 0.107 0.000 2.349 138 D HA 0.338 4.978 4.640 -0.001 0.000 0.232 138 D C -0.602 175.711 176.300 0.023 0.000 1.071 138 D CA -0.299 53.737 54.000 0.060 0.000 0.832 138 D CB 1.934 42.764 40.800 0.049 0.000 1.086 138 D HN 0.630 nan 8.370 nan 0.000 0.504 139 E N 2.186 122.388 120.200 0.003 0.000 2.374 139 E HA 0.216 4.566 4.350 -0.001 0.000 0.260 139 E C -1.954 174.557 176.600 -0.148 0.000 1.101 139 E CA -1.564 54.773 56.400 -0.105 0.000 0.907 139 E CB 0.525 30.208 29.700 -0.028 0.000 1.014 139 E HN 0.390 nan 8.360 nan 0.000 0.427 140 P HA 0.057 nan 4.420 nan 0.000 0.269 140 P C -1.354 175.747 177.300 -0.332 0.000 1.209 140 P CA -0.054 62.662 63.100 -0.640 0.000 0.776 140 P CB 0.807 31.937 31.700 -0.950 0.000 0.876 141 A N 2.596 125.320 122.820 -0.161 0.000 2.401 141 A HA 0.395 4.715 4.320 -0.001 0.000 0.310 141 A C -0.961 176.752 177.584 0.214 0.000 1.075 141 A CA -0.796 51.268 52.037 0.046 0.000 0.746 141 A CB 0.602 19.643 19.000 0.068 0.000 1.277 141 A HN 0.504 nan 8.150 nan 0.000 0.425 142 Y N 2.627 123.022 120.300 0.158 0.000 2.916 142 Y HA -0.047 4.502 4.550 -0.001 0.000 0.344 142 Y C 1.760 177.735 175.900 0.126 0.000 1.282 142 Y CA 0.560 58.795 58.100 0.225 0.000 1.604 142 Y CB 0.293 38.877 38.460 0.207 0.000 1.207 142 Y HN 0.880 nan 8.280 nan 0.000 0.561 143 S N 3.299 118.852 115.700 -0.245 0.000 2.383 143 S HA -0.181 4.289 4.470 -0.001 0.000 0.229 143 S C 2.170 176.421 174.600 -0.581 0.000 1.030 143 S CA 1.097 59.005 58.200 -0.486 0.000 1.002 143 S CB -1.132 61.685 63.200 -0.638 0.000 0.829 143 S HN 0.886 nan 8.310 nan 0.000 0.467 144 G N 1.180 109.325 108.800 -1.092 0.000 2.422 144 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.218 144 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.218 144 G C 1.589 176.231 174.900 -0.431 0.000 1.146 144 G CA 1.473 46.103 45.100 -0.784 0.000 0.769 144 G HN 0.668 nan 8.290 nan 0.000 0.547 145 T N -0.103 114.208 114.554 -0.405 0.000 2.985 145 T HA 0.095 4.445 4.350 -0.001 0.000 0.266 145 T C 2.438 177.044 174.700 -0.157 0.000 1.076 145 T CA 0.716 62.754 62.100 -0.102 0.000 1.135 145 T CB -0.193 68.657 68.868 -0.029 0.000 0.890 145 T HN 0.206 nan 8.240 nan 0.000 0.480 146 L N 0.423 121.535 121.223 -0.185 0.000 2.083 146 L HA -0.060 4.280 4.340 -0.001 0.000 0.209 146 L C 3.181 179.995 176.870 -0.094 0.000 1.083 146 L CA 1.114 55.871 54.840 -0.138 0.000 0.752 146 L CB -0.551 41.430 42.059 -0.130 0.000 0.899 146 L HN 0.250 nan 8.230 nan 0.000 0.433 147 Q N -0.849 118.879 119.800 -0.121 0.000 2.172 147 Q HA -0.119 4.221 4.340 -0.001 0.000 0.200 147 Q C 2.450 178.448 176.000 -0.003 0.000 0.964 147 Q CA 1.262 57.025 55.803 -0.067 0.000 0.855 147 Q CB -0.266 28.408 28.738 -0.107 0.000 0.918 147 Q HN 0.343 nan 8.270 nan 0.000 0.444 148 S N 0.242 115.938 115.700 -0.006 0.000 2.368 148 S HA 0.016 4.485 4.470 -0.001 0.000 0.224 148 S C 1.909 176.538 174.600 0.048 0.000 1.029 148 S CA 0.563 58.804 58.200 0.068 0.000 0.988 148 S CB 0.028 63.332 63.200 0.173 0.000 0.838 148 S HN 0.264 nan 8.310 nan 0.000 0.462 149 L N 0.486 121.679 121.223 -0.050 0.000 2.131 149 L HA -0.026 4.313 4.340 -0.001 0.000 0.206 149 L C 2.506 179.340 176.870 -0.061 0.000 1.087 149 L CA 1.197 55.950 54.840 -0.145 0.000 0.767 149 L CB -0.801 41.091 42.059 -0.279 0.000 0.917 149 L HN 0.499 nan 8.230 nan 0.000 0.441 150 H N 1.701 120.715 119.070 -0.093 0.000 2.267 150 H HA -0.187 4.369 4.556 -0.000 0.000 0.291 150 H C -0.622 174.680 175.328 -0.043 0.000 1.094 150 H CA 2.509 58.518 56.048 -0.065 0.000 1.227 150 H CB -0.989 28.738 29.762 -0.058 0.000 1.351 150 H HN 0.193 nan 8.280 nan 0.000 0.483 151 P HA -0.054 nan 4.420 nan 0.000 0.230 151 P C 1.411 178.640 177.300 -0.118 0.000 1.158 151 P CA 0.558 63.566 63.100 -0.154 0.000 0.769 151 P CB -0.109 31.582 31.700 -0.015 0.000 0.807 152 L N -0.710 120.462 121.223 -0.085 0.000 2.478 152 L HA 0.228 4.568 4.340 -0.001 0.000 0.223 152 L C 1.857 178.680 176.870 -0.080 0.000 1.140 152 L CA 1.248 56.057 54.840 -0.051 0.000 0.842 152 L CB -1.541 40.513 42.059 -0.009 0.000 0.953 152 L HN 0.119 nan 8.230 nan 0.000 0.452 153 G N -0.765 107.954 108.800 -0.135 0.000 2.168 153 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.257 153 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.257 153 G C 0.633 175.475 174.900 -0.096 0.000 0.997 153 G CA 0.289 45.314 45.100 -0.126 0.000 0.708 153 G HN 0.512 nan 8.290 nan 0.000 0.520 154 C N -0.938 118.300 119.300 -0.104 0.000 2.700 154 C HA 0.586 5.046 4.460 -0.001 0.000 0.397 154 C C 0.843 175.772 174.990 -0.102 0.000 1.301 154 C CA -1.338 57.610 59.018 -0.117 0.000 2.219 154 C CB 0.646 28.285 27.740 -0.169 0.000 2.699 154 C HN 0.486 nan 8.230 nan 0.000 0.669 155 N N 1.321 119.962 118.700 -0.098 0.000 2.462 155 N HA 0.353 5.093 4.740 -0.001 0.000 0.242 155 N C -0.665 174.788 175.510 -0.094 0.000 1.010 155 N CA -0.147 52.861 53.050 -0.069 0.000 0.939 155 N CB 0.549 39.014 38.487 -0.038 0.000 1.127 155 N HN 0.654 nan 8.380 nan 0.000 0.509 156 I N 4.616 125.137 120.570 -0.081 0.000 2.505 156 I HA 0.110 4.279 4.170 -0.001 0.000 0.287 156 I C 0.435 176.525 176.117 -0.045 0.000 1.104 156 I CA 0.072 61.321 61.300 -0.084 0.000 1.387 156 I CB 0.361 38.323 38.000 -0.062 0.000 1.404 156 I HN 0.256 nan 8.210 nan 0.000 0.528 157 I N 6.411 126.949 120.570 -0.054 0.000 2.312 157 I HA 0.145 4.315 4.170 -0.001 0.000 0.290 157 I C 0.311 176.422 176.117 -0.010 0.000 1.008 157 I CA -0.479 60.809 61.300 -0.020 0.000 1.226 157 I CB 0.869 38.863 38.000 -0.009 0.000 1.371 157 I HN 0.529 nan 8.210 nan 0.000 0.468 158 N N 5.943 124.654 118.700 0.017 0.000 2.468 158 N HA 0.157 4.897 4.740 -0.001 0.000 0.265 158 N C -0.711 174.819 175.510 0.034 0.000 1.199 158 N CA -0.024 53.048 53.050 0.037 0.000 0.928 158 N CB 0.828 39.356 38.487 0.068 0.000 1.059 158 N HN 0.270 nan 8.380 nan 0.000 0.467 159 V N 1.948 121.883 119.914 0.036 0.000 2.743 159 V HA 0.598 4.718 4.120 -0.001 0.000 0.301 159 V C 0.600 176.727 176.094 0.056 0.000 1.057 159 V CA -1.151 61.172 62.300 0.039 0.000 1.006 159 V CB 1.191 33.035 31.823 0.035 0.000 1.024 159 V HN 0.830 nan 8.190 nan 0.000 0.473 160 A N 2.965 125.820 122.820 0.058 0.000 2.409 160 A HA 0.605 4.925 4.320 -0.001 0.000 0.262 160 A C 0.428 178.053 177.584 0.068 0.000 1.113 160 A CA -0.070 52.008 52.037 0.068 0.000 0.790 160 A CB 0.128 19.168 19.000 0.067 0.000 1.046 160 A HN 1.126 nan 8.150 nan 0.000 0.496 161 S N 1.836 117.580 115.700 0.072 0.000 2.503 161 S HA 0.716 5.185 4.470 -0.001 0.000 0.301 161 S C -0.742 173.902 174.600 0.073 0.000 1.087 161 S CA -0.492 57.746 58.200 0.063 0.000 1.042 161 S CB 1.630 64.857 63.200 0.046 0.000 1.043 161 S HN 0.800 nan 8.310 nan 0.000 0.489 162 D N 0.900 121.333 120.400 0.056 0.000 2.689 162 D HA 0.351 4.991 4.640 -0.001 0.000 0.255 162 D C 0.513 176.819 176.300 0.009 0.000 1.113 162 D CA -0.806 53.224 54.000 0.050 0.000 1.115 162 D CB -0.146 40.676 40.800 0.035 0.000 1.334 162 D HN 0.407 nan 8.370 nan 0.000 0.621 163 E N -0.630 119.519 120.200 -0.086 0.000 2.331 163 E HA -0.051 4.298 4.350 -0.001 0.000 0.199 163 E C 1.012 177.568 176.600 -0.075 0.000 1.008 163 E CA 1.065 57.360 56.400 -0.176 0.000 0.843 163 E CB -0.365 28.973 29.700 -0.605 0.000 0.761 163 E HN 0.260 nan 8.360 nan 0.000 0.507 164 S N -0.152 115.522 115.700 -0.044 0.000 2.634 164 S HA 0.414 4.884 4.470 -0.001 0.000 0.221 164 S C 0.768 175.371 174.600 0.005 0.000 0.952 164 S CA 0.144 58.334 58.200 -0.017 0.000 0.930 164 S CB 0.111 63.303 63.200 -0.012 0.000 0.780 164 S HN 0.558 nan 8.310 nan 0.000 0.498 165 G N 2.142 110.950 108.800 0.013 0.000 2.466 165 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 165 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 165 G C -0.345 174.583 174.900 0.047 0.000 1.237 165 G CA -0.459 44.658 45.100 0.029 0.000 0.954 165 G HN 0.683 nan 8.290 nan 0.000 0.580 166 I N -0.313 120.299 120.570 0.070 0.000 2.588 166 I HA 0.589 4.759 4.170 -0.001 0.000 0.283 166 I C 0.582 176.748 176.117 0.081 0.000 1.119 166 I CA -0.626 60.722 61.300 0.081 0.000 1.419 166 I CB 1.376 39.434 38.000 0.097 0.000 1.394 166 I HN 0.591 nan 8.210 nan 0.000 0.562 167 V N 8.924 128.882 119.914 0.073 0.000 2.356 167 V HA 0.199 4.318 4.120 -0.001 0.000 0.258 167 V C -1.331 174.810 176.094 0.078 0.000 1.065 167 V CA -0.939 61.401 62.300 0.068 0.000 0.935 167 V CB 0.320 32.179 31.823 0.060 0.000 1.061 167 V HN 0.787 nan 8.190 nan 0.000 0.484 168 P HA -0.153 nan 4.420 nan 0.000 0.216 168 P C 1.131 178.484 177.300 0.087 0.000 1.150 168 P CA 1.183 64.344 63.100 0.102 0.000 0.843 168 P CB 0.253 32.019 31.700 0.109 0.000 0.787 169 D N -1.135 119.308 120.400 0.072 0.000 2.133 169 D HA -0.164 4.476 4.640 -0.001 0.000 0.195 169 D C 2.083 178.417 176.300 0.057 0.000 0.997 169 D CA 1.426 55.464 54.000 0.062 0.000 0.840 169 D CB -0.971 39.861 40.800 0.052 0.000 0.947 169 D HN 0.124 nan 8.370 nan 0.000 0.452 170 S N -0.390 115.344 115.700 0.056 0.000 2.368 170 S HA -0.111 4.359 4.470 -0.001 0.000 0.224 170 S C 1.798 176.424 174.600 0.044 0.000 1.029 170 S CA 0.409 58.638 58.200 0.048 0.000 0.988 170 S CB -0.223 63.008 63.200 0.051 0.000 0.838 170 S HN 0.144 nan 8.310 nan 0.000 0.462 171 L N 1.964 123.221 121.223 0.058 0.000 2.056 171 L HA 0.125 4.465 4.340 -0.001 0.000 0.207 171 L C 2.414 179.314 176.870 0.050 0.000 1.078 171 L CA 1.792 56.667 54.840 0.058 0.000 0.749 171 L CB -0.769 41.352 42.059 0.104 0.000 0.901 171 L HN 0.237 nan 8.230 nan 0.000 0.433 172 R N -0.660 119.882 120.500 0.069 0.000 2.081 172 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 172 R C 1.868 178.187 176.300 0.030 0.000 1.131 172 R CA 1.819 57.961 56.100 0.068 0.000 0.960 172 R CB -0.197 30.157 30.300 0.091 0.000 0.856 172 R HN 0.424 nan 8.270 nan 0.000 0.436 173 D N 0.595 121.012 120.400 0.029 0.000 2.097 173 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 173 D C 1.886 178.179 176.300 -0.012 0.000 0.984 173 D CA 1.522 55.531 54.000 0.014 0.000 0.826 173 D CB -0.269 40.542 40.800 0.018 0.000 0.973 173 D HN 0.387 nan 8.370 nan 0.000 0.460 174 I N -1.137 119.428 120.570 -0.008 0.000 2.361 174 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 174 I C 2.044 178.164 176.117 0.005 0.000 1.133 174 I CA 1.134 62.427 61.300 -0.011 0.000 1.413 174 I CB -0.778 37.230 38.000 0.014 0.000 1.073 174 I HN -0.024 nan 8.210 nan 0.000 0.424 175 L N 1.669 122.876 121.223 -0.026 0.000 2.492 175 L HA -0.019 4.320 4.340 -0.001 0.000 0.223 175 L C 2.590 179.395 176.870 -0.109 0.000 1.132 175 L CA 0.876 55.660 54.840 -0.093 0.000 0.850 175 L CB -0.224 41.511 42.059 -0.540 0.000 0.966 175 L HN 0.388 nan 8.230 nan 0.000 0.454 176 S N -0.693 114.978 115.700 -0.049 0.000 2.561 176 S HA -0.122 4.347 4.470 -0.001 0.000 0.225 176 S C 1.973 176.562 174.600 -0.019 0.000 0.977 176 S CA 0.014 58.237 58.200 0.039 0.000 0.926 176 S CB -0.265 62.958 63.200 0.037 0.000 0.769 176 S HN 0.419 nan 8.310 nan 0.000 0.533 177 R N 0.173 120.558 120.500 -0.192 0.000 2.189 177 R HA 0.015 4.354 4.340 -0.001 0.000 0.218 177 R C -0.511 175.533 176.300 -0.426 0.000 1.074 177 R CA 0.586 56.437 56.100 -0.414 0.000 0.991 177 R CB 0.031 29.892 30.300 -0.731 0.000 0.883 177 R HN 0.571 nan 8.270 nan 0.000 0.457 178 W N 0.906 122.233 121.300 0.045 0.000 2.578 178 W HA 0.473 5.132 4.660 -0.002 0.000 0.364 178 W C -0.268 176.396 176.519 0.242 0.000 1.144 178 W CA -0.992 56.425 57.345 0.119 0.000 1.242 178 W CB 0.519 30.058 29.460 0.132 0.000 1.382 178 W HN -0.399 nan 8.180 nan 0.000 0.625 179 K N 0.775 121.442 120.400 0.445 0.000 2.164 179 K HA 0.257 4.577 4.320 -0.001 0.000 0.258 179 K C -2.005 174.726 176.600 0.218 0.000 0.951 179 K CA -1.702 54.764 56.287 0.299 0.000 0.844 179 K CB 1.510 34.103 32.500 0.155 0.000 1.099 179 K HN -0.052 nan 8.250 nan 0.000 0.435 180 P HA -0.210 nan 4.420 nan 0.000 0.219 180 P C 0.206 177.453 177.300 -0.090 0.000 1.145 180 P CA 1.510 64.433 63.100 -0.295 0.000 0.813 180 P CB 0.329 31.803 31.700 -0.378 0.000 0.771 181 E N -1.612 118.579 120.200 -0.015 0.000 2.318 181 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 181 E C 1.659 178.279 176.600 0.033 0.000 0.998 181 E CA 0.390 56.790 56.400 0.000 0.000 0.859 181 E CB -0.879 28.825 29.700 0.006 0.000 0.812 181 E HN 0.211 nan 8.360 nan 0.000 0.492 182 D N 0.630 121.083 120.400 0.088 0.000 2.350 182 D HA -0.055 4.584 4.640 -0.001 0.000 0.216 182 D C 1.728 178.050 176.300 0.036 0.000 0.968 182 D CA 0.824 54.882 54.000 0.096 0.000 0.894 182 D CB 0.158 41.075 40.800 0.194 0.000 0.909 182 D HN 0.202 nan 8.370 nan 0.000 0.520 183 A N 1.062 123.896 122.820 0.022 0.000 1.892 183 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 183 A C 2.061 179.617 177.584 -0.047 0.000 1.188 183 A CA 1.479 53.506 52.037 -0.017 0.000 0.631 183 A CB -0.375 18.629 19.000 0.006 0.000 0.822 183 A HN 0.158 nan 8.150 nan 0.000 0.447 184 K N -0.374 120.005 120.400 -0.035 0.000 2.555 184 K HA -0.010 4.310 4.320 -0.001 0.000 0.193 184 K C 0.389 176.965 176.600 -0.040 0.000 1.032 184 K CA 0.599 56.859 56.287 -0.045 0.000 1.004 184 K CB -0.260 32.220 32.500 -0.034 0.000 0.804 184 K HN 0.608 nan 8.250 nan 0.000 0.496 185 N N 0.533 119.216 118.700 -0.028 0.000 2.626 185 N HA 0.136 4.875 4.740 -0.001 0.000 0.242 185 N C -2.341 173.153 175.510 -0.026 0.000 1.005 185 N CA -2.078 50.963 53.050 -0.016 0.000 0.905 185 N CB 1.158 39.652 38.487 0.013 0.000 1.128 185 N HN -0.241 nan 8.380 nan 0.000 0.512 186 P HA -0.129 nan 4.420 nan 0.000 0.219 186 P C 0.801 178.083 177.300 -0.031 0.000 1.146 186 P CA 1.068 64.133 63.100 -0.058 0.000 0.808 186 P CB 0.334 31.997 31.700 -0.060 0.000 0.779 187 Q N -0.764 119.031 119.800 -0.008 0.000 2.311 187 Q HA -0.004 4.335 4.340 -0.001 0.000 0.203 187 Q C 1.522 177.550 176.000 0.047 0.000 0.954 187 Q CA 1.036 56.847 55.803 0.013 0.000 0.885 187 Q CB -0.280 28.467 28.738 0.014 0.000 0.963 187 Q HN 0.160 nan 8.270 nan 0.000 0.471 188 K N 0.332 120.772 120.400 0.067 0.000 2.469 188 K HA 0.050 4.370 4.320 -0.001 0.000 0.201 188 K C -0.165 176.552 176.600 0.194 0.000 1.028 188 K CA -0.063 56.317 56.287 0.155 0.000 1.170 188 K CB 0.245 32.861 32.500 0.194 0.000 0.874 188 K HN 0.106 nan 8.250 nan 0.000 0.507 189 N N 1.934 120.643 118.700 0.015 0.000 2.740 189 N HA -0.137 4.603 4.740 -0.001 0.000 0.248 189 N C -0.643 174.582 175.510 -0.477 0.000 1.062 189 N CA 1.084 54.087 53.050 -0.078 0.000 0.704 189 N CB -1.539 37.000 38.487 0.087 0.000 0.968 189 N HN 0.408 nan 8.380 nan 0.000 0.547 190 T N -1.764 112.385 114.554 -0.675 0.000 2.932 190 T HA 0.374 4.724 4.350 -0.001 0.000 0.312 190 T C -2.226 172.023 174.700 -0.751 0.000 1.071 190 T CA -1.001 60.397 62.100 -1.170 0.000 1.128 190 T CB 0.828 69.345 68.868 -0.585 0.000 0.984 190 T HN 0.105 nan 8.240 nan 0.000 0.549 191 P HA 0.161 nan 4.420 nan 0.000 0.265 191 P C 0.737 177.891 177.300 -0.244 0.000 1.193 191 P CA -0.476 62.329 63.100 -0.491 0.000 0.765 191 P CB 0.531 31.890 31.700 -0.569 0.000 0.823 192 K N 2.503 122.774 120.400 -0.215 0.000 2.057 192 K HA 0.012 4.332 4.320 -0.001 0.000 0.206 192 K C 0.878 177.627 176.600 0.249 0.000 1.050 192 K CA 1.480 57.821 56.287 0.090 0.000 0.935 192 K CB -0.363 32.175 32.500 0.063 0.000 0.715 192 K HN 0.649 nan 8.250 nan 0.000 0.439 193 F N -2.138 117.821 119.950 0.016 0.000 2.686 193 F HA 0.476 5.002 4.527 -0.001 0.000 0.311 193 F C -0.964 174.727 175.800 -0.182 0.000 1.128 193 F CA -1.813 56.190 58.000 0.004 0.000 0.946 193 F CB 0.605 39.643 39.000 0.062 0.000 1.336 193 F HN -0.320 nan 8.300 nan 0.000 0.457 194 L N 2.910 124.234 121.223 0.168 0.000 2.275 194 L HA 0.478 4.817 4.340 -0.001 0.000 0.288 194 L C -1.373 175.705 176.870 0.345 0.000 1.046 194 L CA -0.960 53.958 54.840 0.129 0.000 0.805 194 L CB 0.809 42.863 42.059 -0.009 0.000 1.193 194 L HN 0.730 nan 8.230 nan 0.000 0.426 195 Y N 4.303 124.775 120.300 0.287 0.000 2.342 195 Y HA 0.650 5.200 4.550 -0.001 0.000 0.334 195 Y C -0.330 175.642 175.900 0.119 0.000 1.067 195 Y CA -0.026 58.192 58.100 0.196 0.000 1.128 195 Y CB 1.442 40.078 38.460 0.293 0.000 1.200 195 Y HN 0.747 nan 8.280 nan 0.000 0.464 196 T N 4.733 118.885 114.554 -0.670 0.000 2.885 196 T HA 0.458 4.808 4.350 -0.001 0.000 0.322 196 T C -2.115 172.267 174.700 -0.530 0.000 1.387 196 T CA -0.641 61.173 62.100 -0.476 0.000 1.041 196 T CB 0.875 69.703 68.868 -0.067 0.000 1.287 196 T HN 0.419 nan 8.240 nan 0.000 0.491 197 V N 6.062 125.811 119.914 -0.276 0.000 2.294 197 V HA 0.376 4.496 4.120 -0.001 0.000 0.272 197 V C -1.602 174.480 176.094 -0.019 0.000 1.027 197 V CA -1.383 60.849 62.300 -0.114 0.000 0.823 197 V CB 1.227 33.049 31.823 -0.002 0.000 1.030 197 V HN 0.737 nan 8.190 nan 0.000 0.457 198 P HA 0.101 nan 4.420 nan 0.000 0.239 198 P C 0.083 177.386 177.300 0.006 0.000 1.188 198 P CA 0.369 63.485 63.100 0.026 0.000 0.794 198 P CB 0.539 32.262 31.700 0.039 0.000 0.937 199 N N 0.528 119.241 118.700 0.021 0.000 2.407 199 N HA 0.330 5.070 4.740 -0.001 0.000 0.277 199 N C 0.335 175.857 175.510 0.019 0.000 0.995 199 N CA -0.240 52.809 53.050 -0.002 0.000 0.903 199 N CB 1.435 39.910 38.487 -0.019 0.000 1.218 199 N HN -0.026 nan 8.380 nan 0.000 0.487 200 G N 2.095 110.862 108.800 -0.054 0.000 2.371 200 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.299 200 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.299 200 G C 0.298 175.152 174.900 -0.077 0.000 1.014 200 G CA 0.057 45.082 45.100 -0.125 0.000 1.097 200 G HN 0.827 nan 8.290 nan 0.000 0.512 201 N N -0.218 118.465 118.700 -0.029 0.000 2.167 201 N HA -0.103 4.636 4.740 -0.001 0.000 0.258 201 N C 0.035 175.499 175.510 -0.076 0.000 1.241 201 N CA 0.547 53.579 53.050 -0.031 0.000 0.829 201 N CB 0.180 38.610 38.487 -0.095 0.000 1.072 201 N HN 0.397 nan 8.380 nan 0.000 0.466 202 N N 3.355 122.040 118.700 -0.024 0.000 2.469 202 N HA 0.297 5.037 4.740 -0.001 0.000 0.253 202 N C -2.181 173.117 175.510 -0.352 0.000 0.970 202 N CA -2.145 50.830 53.050 -0.125 0.000 0.940 202 N CB 1.414 39.944 38.487 0.071 0.000 1.128 202 N HN 0.402 nan 8.380 nan 0.000 0.503 203 P HA 0.126 nan 4.420 nan 0.000 0.272 203 P C 0.960 177.828 177.300 -0.720 0.000 1.276 203 P CA 0.283 62.740 63.100 -1.071 0.000 0.871 203 P CB 0.369 30.912 31.700 -1.928 0.000 1.313 204 T N -3.749 110.362 114.554 -0.738 0.000 2.812 204 T HA 0.176 4.525 4.350 -0.001 0.000 0.264 204 T C 1.786 176.492 174.700 0.010 0.000 1.042 204 T CA 1.675 63.491 62.100 -0.473 0.000 1.140 204 T CB -1.212 67.398 68.868 -0.431 0.000 0.870 204 T HN 0.188 nan 8.240 nan 0.000 0.445 205 G N 1.661 110.460 108.800 -0.001 0.000 2.213 205 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.236 205 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.236 205 G C 0.077 175.024 174.900 0.078 0.000 0.991 205 G CA -0.021 45.138 45.100 0.099 0.000 0.629 205 G HN 0.699 nan 8.290 nan 0.000 0.517 206 N N 0.755 119.487 118.700 0.053 0.000 2.399 206 N HA 0.538 5.278 4.740 -0.001 0.000 0.250 206 N C -0.277 175.235 175.510 0.003 0.000 1.272 206 N CA 0.650 53.723 53.050 0.039 0.000 0.928 206 N CB 1.189 39.697 38.487 0.035 0.000 1.158 206 N HN 0.228 nan 8.380 nan 0.000 0.463 207 S N 0.289 115.988 115.700 -0.001 0.000 2.547 207 S HA 0.367 4.837 4.470 -0.001 0.000 0.281 207 S C 0.130 174.722 174.600 -0.013 0.000 1.118 207 S CA -0.709 57.482 58.200 -0.015 0.000 0.947 207 S CB 1.494 64.675 63.200 -0.031 0.000 1.053 207 S HN 0.326 nan 8.310 nan 0.000 0.482 208 L N 2.957 124.171 121.223 -0.014 0.000 2.499 208 L HA 0.138 4.477 4.340 -0.001 0.000 0.281 208 L C 1.106 177.947 176.870 -0.048 0.000 1.234 208 L CA 0.286 55.114 54.840 -0.021 0.000 0.839 208 L CB 0.498 42.537 42.059 -0.033 0.000 1.104 208 L HN 0.768 nan 8.230 nan 0.000 0.500 209 T N -1.357 113.172 114.554 -0.042 0.000 2.944 209 T HA 0.142 4.492 4.350 -0.001 0.000 0.284 209 T C 0.955 175.612 174.700 -0.072 0.000 1.010 209 T CA -0.285 61.789 62.100 -0.043 0.000 1.025 209 T CB 1.693 70.549 68.868 -0.020 0.000 1.079 209 T HN 0.563 nan 8.240 nan 0.000 0.516 210 S N 0.347 116.010 115.700 -0.062 0.000 2.359 210 S HA -0.177 4.293 4.470 -0.001 0.000 0.224 210 S C 1.757 176.321 174.600 -0.060 0.000 1.035 210 S CA 1.971 60.125 58.200 -0.076 0.000 1.018 210 S CB -0.717 62.459 63.200 -0.040 0.000 0.876 210 S HN 0.816 nan 8.310 nan 0.000 0.448 211 E N 0.867 121.052 120.200 -0.024 0.000 2.038 211 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 211 E C 2.407 179.017 176.600 0.016 0.000 1.000 211 E CA 1.389 57.790 56.400 0.001 0.000 0.803 211 E CB -0.230 29.477 29.700 0.010 0.000 0.750 211 E HN 0.446 nan 8.360 nan 0.000 0.448 212 R N 0.631 121.139 120.500 0.014 0.000 2.105 212 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 212 R C 2.224 178.567 176.300 0.071 0.000 1.135 212 R CA 1.513 57.642 56.100 0.047 0.000 0.967 212 R CB -0.187 30.140 30.300 0.045 0.000 0.861 212 R HN 0.087 nan 8.270 nan 0.000 0.442 213 K N 0.557 120.925 120.400 -0.053 0.000 2.097 213 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 213 K C 1.955 178.634 176.600 0.131 0.000 1.049 213 K CA 1.364 57.541 56.287 -0.183 0.000 0.933 213 K CB 0.036 32.103 32.500 -0.722 0.000 0.717 213 K HN 0.147 nan 8.250 nan 0.000 0.442 214 K N 0.795 121.237 120.400 0.071 0.000 2.097 214 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 214 K C 1.947 178.668 176.600 0.202 0.000 1.050 214 K CA 1.219 57.586 56.287 0.133 0.000 0.938 214 K CB 0.025 32.560 32.500 0.059 0.000 0.718 214 K HN 0.215 nan 8.250 nan 0.000 0.442 215 E N 0.862 121.163 120.200 0.168 0.000 2.072 215 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 215 E C 2.035 178.761 176.600 0.210 0.000 0.985 215 E CA 0.943 57.443 56.400 0.165 0.000 0.801 215 E CB -0.082 29.697 29.700 0.131 0.000 0.750 215 E HN 0.244 nan 8.360 nan 0.000 0.452 216 I N 0.193 120.932 120.570 0.281 0.000 2.252 216 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 216 I C 2.315 178.592 176.117 0.268 0.000 1.102 216 I CA 1.004 62.491 61.300 0.312 0.000 1.385 216 I CB -0.211 38.056 38.000 0.444 0.000 1.064 216 I HN 0.122 nan 8.210 nan 0.000 0.414 217 Y N 1.903 122.362 120.300 0.266 0.000 2.128 217 Y HA -0.351 4.199 4.550 -0.000 0.000 0.284 217 Y C 2.690 178.607 175.900 0.029 0.000 1.154 217 Y CA 2.255 60.445 58.100 0.150 0.000 1.149 217 Y CB -0.308 38.293 38.460 0.235 0.000 0.976 217 Y HN 0.266 nan 8.280 nan 0.000 0.505 218 E N -0.034 120.268 120.200 0.170 0.000 2.086 218 E HA -0.288 4.062 4.350 -0.001 0.000 0.205 218 E C 2.026 178.612 176.600 -0.024 0.000 1.027 218 E CA 1.976 58.419 56.400 0.072 0.000 0.830 218 E CB -0.595 29.178 29.700 0.123 0.000 0.751 218 E HN 0.421 nan 8.360 nan 0.000 0.456 219 L N 1.123 122.370 121.223 0.040 0.000 2.042 219 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 219 L C 2.802 179.540 176.870 -0.221 0.000 1.076 219 L CA 2.065 56.965 54.840 0.100 0.000 0.749 219 L CB -1.771 40.428 42.059 0.234 0.000 0.893 219 L HN 0.360 nan 8.230 nan 0.000 0.432 220 A N 0.425 122.860 122.820 -0.641 0.000 1.902 220 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 220 A C 2.285 179.292 177.584 -0.961 0.000 1.181 220 A CA 1.911 53.004 52.037 -1.573 0.000 0.623 220 A CB -0.421 17.959 19.000 -1.034 0.000 0.818 220 A HN 0.539 nan 8.150 nan 0.000 0.443 221 R N 0.323 120.456 120.500 -0.611 0.000 2.093 221 R HA 0.036 4.376 4.340 -0.001 0.000 0.224 221 R C 1.944 178.082 176.300 -0.270 0.000 1.101 221 R CA 1.745 57.604 56.100 -0.402 0.000 0.979 221 R CB -0.618 29.497 30.300 -0.308 0.000 0.877 221 R HN 0.448 nan 8.270 nan 0.000 0.441 222 K N -0.101 120.162 120.400 -0.227 0.000 2.026 222 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 222 K C 0.686 177.057 176.600 -0.382 0.000 1.048 222 K CA 1.505 57.644 56.287 -0.247 0.000 0.929 222 K CB -0.135 32.268 32.500 -0.161 0.000 0.713 222 K HN 0.380 nan 8.250 nan 0.000 0.439 223 Y N 0.715 120.932 120.300 -0.139 0.000 2.524 223 Y HA 0.116 4.666 4.550 -0.001 0.000 0.266 223 Y C -0.301 175.561 175.900 -0.062 0.000 1.180 223 Y CA -0.083 58.004 58.100 -0.022 0.000 1.244 223 Y CB 0.241 38.806 38.460 0.175 0.000 1.125 223 Y HN 0.213 nan 8.280 nan 0.000 0.524 224 D N 1.277 121.595 120.400 -0.137 0.000 2.755 224 D HA -0.250 4.390 4.640 -0.001 0.000 0.227 224 D C -0.792 175.554 176.300 0.078 0.000 1.211 224 D CA 0.685 54.619 54.000 -0.111 0.000 0.663 224 D CB -1.216 39.567 40.800 -0.029 0.000 0.983 224 D HN 0.344 nan 8.370 nan 0.000 0.407 225 F N -1.376 118.600 119.950 0.043 0.000 2.541 225 F HA 0.692 5.219 4.527 -0.001 0.000 0.331 225 F C -0.115 175.607 175.800 -0.130 0.000 1.057 225 F CA -1.791 56.237 58.000 0.046 0.000 0.975 225 F CB 0.459 39.475 39.000 0.026 0.000 1.246 225 F HN -0.165 nan 8.300 nan 0.000 0.484 226 L N 2.179 123.436 121.223 0.057 0.000 2.417 226 L HA 0.383 4.723 4.340 -0.001 0.000 0.268 226 L C -0.153 176.786 176.870 0.115 0.000 1.158 226 L CA -0.457 54.324 54.840 -0.097 0.000 0.819 226 L CB 0.632 42.566 42.059 -0.208 0.000 1.112 226 L HN 0.568 nan 8.230 nan 0.000 0.458 227 I N 3.862 124.407 120.570 -0.041 0.000 2.441 227 I HA 0.400 4.570 4.170 -0.001 0.000 0.295 227 I C -0.245 175.804 176.117 -0.114 0.000 0.994 227 I CA -0.669 60.581 61.300 -0.083 0.000 1.144 227 I CB 1.687 39.468 38.000 -0.364 0.000 1.314 227 I HN 0.472 nan 8.210 nan 0.000 0.445 228 I N 3.141 123.655 120.570 -0.093 0.000 2.355 228 I HA 0.438 4.608 4.170 -0.001 0.000 0.288 228 I C -0.255 175.757 176.117 -0.176 0.000 0.999 228 I CA -0.214 61.005 61.300 -0.134 0.000 1.163 228 I CB 1.468 39.374 38.000 -0.156 0.000 1.316 228 I HN 0.623 nan 8.210 nan 0.000 0.454 229 E N 5.331 125.435 120.200 -0.160 0.000 1.936 229 E HA 0.107 4.456 4.350 -0.001 0.000 0.267 229 E C -0.981 175.508 176.600 -0.185 0.000 1.076 229 E CA -0.471 55.851 56.400 -0.130 0.000 0.870 229 E CB 0.403 30.082 29.700 -0.035 0.000 1.093 229 E HN 0.705 nan 8.360 nan 0.000 0.411 230 D N 3.899 124.141 120.400 -0.264 0.000 2.411 230 D HA 0.084 4.724 4.640 -0.001 0.000 0.225 230 D C -0.969 175.236 176.300 -0.158 0.000 1.156 230 D CA -0.315 53.562 54.000 -0.205 0.000 0.874 230 D CB 0.758 41.471 40.800 -0.144 0.000 1.034 230 D HN 0.246 nan 8.370 nan 0.000 0.502 231 D N 4.417 124.715 120.400 -0.169 0.000 2.943 231 D HA 0.192 4.832 4.640 -0.001 0.000 0.347 231 D C -1.815 174.395 176.300 -0.150 0.000 1.305 231 D CA -1.666 52.257 54.000 -0.127 0.000 0.870 231 D CB 1.177 41.890 40.800 -0.145 0.000 1.081 231 D HN 0.265 nan 8.370 nan 0.000 0.492 232 P HA -0.056 nan 4.420 nan 0.000 0.226 232 P C 0.454 177.497 177.300 -0.428 0.000 1.153 232 P CA 0.674 63.531 63.100 -0.404 0.000 0.777 232 P CB 0.100 31.410 31.700 -0.649 0.000 0.794 233 Y N -3.231 117.053 120.300 -0.026 0.000 2.636 233 Y HA 0.199 4.749 4.550 -0.001 0.000 0.260 233 Y C 1.994 177.844 175.900 -0.082 0.000 1.177 233 Y CA -1.047 57.005 58.100 -0.080 0.000 1.209 233 Y CB -0.954 37.420 38.460 -0.142 0.000 1.166 233 Y HN -0.142 nan 8.280 nan 0.000 0.531 234 Y N 0.076 120.332 120.300 -0.073 0.000 2.114 234 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 234 Y C 1.054 176.818 175.900 -0.226 0.000 1.165 234 Y CA 1.775 59.754 58.100 -0.201 0.000 1.148 234 Y CB -0.507 37.733 38.460 -0.366 0.000 0.972 234 Y HN 0.120 nan 8.280 nan 0.000 0.504 235 F N -0.674 119.313 119.950 0.062 0.000 2.693 235 F HA 0.140 4.667 4.527 -0.001 0.000 0.303 235 F C 0.688 176.423 175.800 -0.107 0.000 1.143 235 F CA -0.002 57.976 58.000 -0.036 0.000 1.389 235 F CB 0.143 39.253 39.000 0.184 0.000 1.060 235 F HN 0.030 nan 8.300 nan 0.000 0.535 236 L N 0.479 121.679 121.223 -0.038 0.000 3.141 236 L HA 0.290 4.630 4.340 -0.001 0.000 0.267 236 L C 0.146 176.789 176.870 -0.378 0.000 1.281 236 L CA 0.117 54.873 54.840 -0.140 0.000 1.037 236 L CB -0.323 41.675 42.059 -0.102 0.000 1.407 236 L HN 0.011 nan 8.230 nan 0.000 0.566 237 Q N -1.158 118.434 119.800 -0.347 0.000 2.288 237 Q HA 0.224 4.564 4.340 -0.001 0.000 0.254 237 Q C 0.417 176.215 176.000 -0.336 0.000 0.932 237 Q CA -0.045 55.505 55.803 -0.421 0.000 0.902 237 Q CB 0.968 29.528 28.738 -0.297 0.000 1.203 237 Q HN 0.300 nan 8.270 nan 0.000 0.415 238 F N -0.400 119.551 119.950 0.002 0.000 2.512 238 F HA -0.002 4.524 4.527 -0.000 0.000 0.296 238 F C 1.184 176.990 175.800 0.009 0.000 1.110 238 F CA -0.147 57.863 58.000 0.016 0.000 1.446 238 F CB 0.314 39.328 39.000 0.023 0.000 1.092 238 F HN 0.474 nan 8.300 nan 0.000 0.554 239 N N 1.819 120.591 118.700 0.121 0.000 2.406 239 N HA 0.033 4.773 4.740 -0.001 0.000 0.251 239 N C 0.570 176.129 175.510 0.082 0.000 1.069 239 N CA 0.110 53.211 53.050 0.085 0.000 0.947 239 N CB 0.812 39.331 38.487 0.054 0.000 1.111 239 N HN 0.257 nan 8.380 nan 0.000 0.497 240 K N 2.441 122.915 120.400 0.123 0.000 2.365 240 K HA 0.027 4.346 4.320 -0.001 0.000 0.197 240 K C 0.069 176.761 176.600 0.154 0.000 1.042 240 K CA 0.254 56.606 56.287 0.109 0.000 0.987 240 K CB 0.164 32.723 32.500 0.099 0.000 0.779 240 K HN 0.351 nan 8.250 nan 0.000 0.484 241 F N 3.125 123.056 119.950 -0.032 0.000 2.484 241 F HA -0.005 4.522 4.527 -0.001 0.000 0.355 241 F C 0.793 176.556 175.800 -0.063 0.000 1.170 241 F CA 0.192 58.169 58.000 -0.037 0.000 1.025 241 F CB -0.268 38.717 39.000 -0.026 0.000 1.107 241 F HN -0.200 nan 8.300 nan 0.000 0.589 242 R N 2.105 122.605 120.500 0.000 0.000 2.340 242 R HA 0.327 4.667 4.340 -0.001 0.000 0.300 242 R C -0.423 175.862 176.300 -0.025 0.000 1.069 242 R CA -0.665 55.386 56.100 -0.081 0.000 0.984 242 R CB 1.344 31.534 30.300 -0.182 0.000 1.003 242 R HN 0.446 nan 8.270 nan 0.000 0.459 243 V N 5.766 125.663 119.914 -0.029 0.000 2.637 243 V HA 0.183 4.302 4.120 -0.001 0.000 0.296 243 V C -2.085 174.016 176.094 0.012 0.000 1.046 243 V CA -1.750 60.543 62.300 -0.011 0.000 1.066 243 V CB 0.799 32.601 31.823 -0.034 0.000 0.968 243 V HN 0.646 nan 8.190 nan 0.000 0.483 244 P HA 0.100 nan 4.420 nan 0.000 0.263 244 P C -0.290 176.971 177.300 -0.065 0.000 1.175 244 P CA 0.405 63.496 63.100 -0.014 0.000 0.761 244 P CB 0.085 31.753 31.700 -0.054 0.000 0.794 245 T N -0.127 114.414 114.554 -0.020 0.000 2.910 245 T HA 0.244 4.594 4.350 -0.001 0.000 0.293 245 T C 1.045 175.661 174.700 -0.140 0.000 1.015 245 T CA -0.361 61.672 62.100 -0.112 0.000 1.094 245 T CB 0.058 68.817 68.868 -0.182 0.000 0.968 245 T HN 0.156 nan 8.240 nan 0.000 0.521 246 F N 0.817 120.719 119.950 -0.080 0.000 2.087 246 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 246 F C 2.304 178.035 175.800 -0.114 0.000 1.100 246 F CA 1.225 59.190 58.000 -0.059 0.000 1.226 246 F CB -0.464 38.544 39.000 0.014 0.000 0.983 246 F HN 0.497 nan 8.300 nan 0.000 0.479 247 L N 0.557 121.801 121.223 0.034 0.000 2.081 247 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 247 L C 2.472 179.282 176.870 -0.101 0.000 1.080 247 L CA 2.209 56.994 54.840 -0.091 0.000 0.754 247 L CB -0.858 41.052 42.059 -0.248 0.000 0.893 247 L HN 0.181 nan 8.230 nan 0.000 0.433 248 S N -1.125 114.525 115.700 -0.083 0.000 2.515 248 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 248 S C 1.603 176.129 174.600 -0.122 0.000 0.987 248 S CA 0.913 59.079 58.200 -0.057 0.000 0.936 248 S CB -0.642 62.557 63.200 -0.003 0.000 0.766 248 S HN 0.662 nan 8.310 nan 0.000 0.528 249 M N 0.521 120.003 119.600 -0.196 0.000 2.428 249 M HA 0.342 4.822 4.480 -0.001 0.000 0.239 249 M C 0.171 176.123 176.300 -0.580 0.000 1.121 249 M CA 0.117 55.187 55.300 -0.384 0.000 1.019 249 M CB -0.486 31.816 32.600 -0.497 0.000 1.485 249 M HN -0.042 nan 8.290 nan 0.000 0.484 250 D N 2.252 122.481 120.400 -0.286 0.000 2.801 250 D HA 0.077 4.717 4.640 -0.001 0.000 0.232 250 D C 1.142 177.449 176.300 0.011 0.000 1.128 250 D CA -0.055 53.899 54.000 -0.076 0.000 1.003 250 D CB 0.428 41.258 40.800 0.050 0.000 1.110 250 D HN 0.068 nan 8.370 nan 0.000 0.477 251 V N 1.626 121.558 119.914 0.031 0.000 2.720 251 V HA -0.164 3.955 4.120 -0.001 0.000 0.256 251 V C 0.891 177.175 176.094 0.315 0.000 1.082 251 V CA 1.695 64.099 62.300 0.173 0.000 1.101 251 V CB -0.032 31.878 31.823 0.146 0.000 0.693 251 V HN 0.275 nan 8.190 nan 0.000 0.479 252 D N 0.536 121.138 120.400 0.336 0.000 2.349 252 D HA 0.182 4.822 4.640 -0.001 0.000 0.215 252 D C 1.565 178.010 176.300 0.241 0.000 1.016 252 D CA 0.920 55.073 54.000 0.255 0.000 0.870 252 D CB -0.165 40.712 40.800 0.129 0.000 0.917 252 D HN 0.610 nan 8.370 nan 0.000 0.524 253 G N 2.235 111.165 108.800 0.218 0.000 2.338 253 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.296 253 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.296 253 G C 0.798 175.829 174.900 0.219 0.000 1.040 253 G CA 0.651 45.876 45.100 0.209 0.000 1.004 253 G HN 0.528 nan 8.290 nan 0.000 0.509 254 R N -1.780 118.791 120.500 0.118 0.000 2.476 254 R HA 0.501 4.840 4.340 -0.001 0.000 0.276 254 R C 0.066 176.349 176.300 -0.028 0.000 0.941 254 R CA -0.174 55.923 56.100 -0.005 0.000 1.088 254 R CB 0.701 30.917 30.300 -0.140 0.000 1.216 254 R HN 0.281 nan 8.270 nan 0.000 0.533 255 V N 2.512 122.443 119.914 0.028 0.000 2.483 255 V HA 0.436 4.556 4.120 -0.001 0.000 0.295 255 V C -0.041 176.014 176.094 -0.065 0.000 1.035 255 V CA -0.745 61.544 62.300 -0.018 0.000 0.896 255 V CB 1.861 33.708 31.823 0.039 0.000 0.986 255 V HN 0.173 nan 8.190 nan 0.000 0.447 256 I N 4.795 125.305 120.570 -0.101 0.000 2.441 256 I HA 0.610 4.779 4.170 -0.001 0.000 0.295 256 I C -0.045 175.986 176.117 -0.143 0.000 0.994 256 I CA -0.692 60.534 61.300 -0.123 0.000 1.144 256 I CB 1.804 39.721 38.000 -0.139 0.000 1.314 256 I HN 0.552 nan 8.210 nan 0.000 0.445 257 R N 4.878 125.279 120.500 -0.165 0.000 2.409 257 R HA 0.719 5.059 4.340 -0.001 0.000 0.313 257 R C -1.228 174.923 176.300 -0.249 0.000 0.953 257 R CA -0.493 55.479 56.100 -0.212 0.000 0.849 257 R CB 1.684 31.826 30.300 -0.263 0.000 1.171 257 R HN 0.789 nan 8.270 nan 0.000 0.458 258 A N 4.622 127.284 122.820 -0.264 0.000 2.269 258 A HA 0.288 4.608 4.320 -0.001 0.000 0.302 258 A C -0.711 176.619 177.584 -0.422 0.000 1.266 258 A CA -0.563 51.285 52.037 -0.315 0.000 0.894 258 A CB 0.507 19.368 19.000 -0.233 0.000 1.147 258 A HN 0.805 nan 8.150 nan 0.000 0.537 259 D N 1.478 121.457 120.400 -0.701 0.000 2.175 259 D HA 0.390 5.029 4.640 -0.001 0.000 0.248 259 D C -0.587 175.259 176.300 -0.758 0.000 1.047 259 D CA 0.263 53.725 54.000 -0.897 0.000 0.883 259 D CB 1.871 41.656 40.800 -1.691 0.000 1.180 259 D HN 0.402 nan 8.370 nan 0.000 0.438 260 S N 1.426 116.888 115.700 -0.397 0.000 2.473 260 S HA 0.294 4.764 4.470 -0.001 0.000 0.307 260 S C 0.048 174.646 174.600 -0.003 0.000 1.094 260 S CA -0.633 57.450 58.200 -0.195 0.000 1.070 260 S CB 0.415 63.518 63.200 -0.161 0.000 1.019 260 S HN 0.238 nan 8.310 nan 0.000 0.480 261 F N 2.345 122.393 119.950 0.164 0.000 2.732 261 F HA 0.335 4.862 4.527 -0.000 0.000 0.303 261 F C 1.574 177.449 175.800 0.126 0.000 1.110 261 F CA -0.180 57.938 58.000 0.197 0.000 1.355 261 F CB -0.329 38.794 39.000 0.205 0.000 1.081 261 F HN 0.365 nan 8.300 nan 0.000 0.565 265 I N 0.148 120.869 120.570 0.251 0.000 3.812 265 I HA 0.389 4.559 4.170 -0.001 0.000 0.292 265 I C 0.544 176.692 176.117 0.051 0.000 1.206 265 I CA 0.534 61.879 61.300 0.075 0.000 1.370 265 I CB 1.239 39.123 38.000 -0.193 0.000 1.328 265 I HN 0.267 nan 8.210 nan 0.000 0.453 266 S N -1.079 114.688 115.700 0.112 0.000 2.658 266 S HA 0.133 4.603 4.470 -0.001 0.000 0.312 266 S C 0.470 175.137 174.600 0.112 0.000 1.006 266 S CA -0.045 58.207 58.200 0.087 0.000 0.855 266 S CB 0.579 63.800 63.200 0.036 0.000 1.053 266 S HN 0.222 nan 8.310 nan 0.000 0.455 267 S N 3.507 119.264 115.700 0.096 0.000 2.371 267 S HA 0.138 4.608 4.470 -0.001 0.000 0.221 267 S C 2.147 176.789 174.600 0.070 0.000 1.036 267 S CA 1.039 59.292 58.200 0.088 0.000 0.965 267 S CB -1.216 62.035 63.200 0.086 0.000 0.845 267 S HN 1.257 nan 8.310 nan 0.000 0.475 268 G N 1.947 110.780 108.800 0.056 0.000 2.479 268 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.220 268 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.220 268 G C 1.341 176.264 174.900 0.038 0.000 1.115 268 G CA 0.795 45.919 45.100 0.040 0.000 0.757 268 G HN 0.508 nan 8.290 nan 0.000 0.560 269 L N -1.157 120.096 121.223 0.049 0.000 2.395 269 L HA 0.135 4.475 4.340 -0.001 0.000 0.218 269 L C 0.787 177.699 176.870 0.069 0.000 1.130 269 L CA -0.215 54.658 54.840 0.055 0.000 0.826 269 L CB -0.102 41.989 42.059 0.053 0.000 0.941 269 L HN 0.043 nan 8.230 nan 0.000 0.451 270 R N 0.973 121.518 120.500 0.075 0.000 3.144 270 R HA -0.127 4.213 4.340 -0.001 0.000 0.255 270 R C -1.187 175.169 176.300 0.095 0.000 0.949 270 R CA 0.457 56.599 56.100 0.070 0.000 0.649 270 R CB -2.181 28.145 30.300 0.044 0.000 1.229 270 R HN 0.140 nan 8.270 nan 0.000 0.440 271 I N -0.468 120.186 120.570 0.140 0.000 2.586 271 I HA 0.456 4.626 4.170 -0.001 0.000 0.281 271 I C 0.972 177.249 176.117 0.266 0.000 1.145 271 I CA -0.305 61.112 61.300 0.196 0.000 1.073 271 I CB 1.617 39.752 38.000 0.224 0.000 1.238 271 I HN 0.360 nan 8.210 nan 0.000 0.461 272 G N 5.110 114.026 108.800 0.192 0.000 3.222 272 G HA2 0.905 4.864 3.960 -0.001 0.000 0.263 272 G HA3 0.905 4.864 3.960 -0.001 0.000 0.263 272 G C -1.547 173.505 174.900 0.253 0.000 1.312 272 G CA -0.544 44.643 45.100 0.145 0.000 0.934 272 G HN 0.350 nan 8.290 nan 0.000 0.577 273 F N -2.261 117.621 119.950 -0.114 0.000 2.688 273 F HA 0.757 5.284 4.527 -0.001 0.000 0.308 273 F C -1.967 173.769 175.800 -0.107 0.000 1.117 273 F CA -1.421 56.522 58.000 -0.096 0.000 0.976 273 F CB 1.449 40.393 39.000 -0.093 0.000 1.291 273 F HN 0.481 nan 8.300 nan 0.000 0.439 274 L N 2.093 123.347 121.223 0.050 0.000 2.341 274 L HA 0.803 5.143 4.340 -0.001 0.000 0.278 274 L C -0.629 176.247 176.870 0.010 0.000 1.005 274 L CA -0.073 54.738 54.840 -0.048 0.000 0.818 274 L CB 2.235 44.257 42.059 -0.062 0.000 1.259 274 L HN 0.861 nan 8.230 nan 0.000 0.418 275 T N 3.529 118.057 114.554 -0.044 0.000 2.815 275 T HA 0.841 5.190 4.350 -0.001 0.000 0.289 275 T C -0.054 174.594 174.700 -0.086 0.000 1.000 275 T CA -0.439 61.638 62.100 -0.038 0.000 0.958 275 T CB 1.292 70.138 68.868 -0.038 0.000 0.944 275 T HN 0.830 nan 8.240 nan 0.000 0.442 276 G N 3.226 111.974 108.800 -0.086 0.000 2.682 276 G HA2 0.663 4.623 3.960 -0.001 0.000 0.303 276 G HA3 0.663 4.623 3.960 -0.001 0.000 0.303 276 G C -3.334 171.493 174.900 -0.123 0.000 1.341 276 G CA -1.366 43.669 45.100 -0.108 0.000 0.784 276 G HN 0.325 nan 8.290 nan 0.000 0.497 277 P HA 0.175 nan 4.420 nan 0.000 0.262 277 P C 0.629 177.764 177.300 -0.274 0.000 1.199 277 P CA -0.044 62.911 63.100 -0.242 0.000 0.763 277 P CB 1.337 32.753 31.700 -0.474 0.000 0.790 278 K N 6.986 127.279 120.400 -0.179 0.000 2.049 278 K HA -0.219 4.100 4.320 -0.001 0.000 0.219 278 K C -0.809 175.701 176.600 -0.149 0.000 1.056 278 K CA 2.607 58.819 56.287 -0.124 0.000 0.946 278 K CB -1.689 30.775 32.500 -0.061 0.000 0.723 278 K HN 0.402 nan 8.250 nan 0.000 0.453 279 P HA -0.159 nan 4.420 nan 0.000 0.218 279 P C 0.820 178.024 177.300 -0.159 0.000 1.146 279 P CA 0.997 63.998 63.100 -0.164 0.000 0.813 279 P CB 0.119 31.720 31.700 -0.165 0.000 0.778 280 L N -1.641 119.434 121.223 -0.248 0.000 2.253 280 L HA 0.026 4.366 4.340 -0.001 0.000 0.205 280 L C 2.165 178.982 176.870 -0.089 0.000 1.078 280 L CA 1.167 55.923 54.840 -0.141 0.000 0.805 280 L CB -1.343 40.605 42.059 -0.184 0.000 0.963 280 L HN -0.074 nan 8.230 nan 0.000 0.459 281 I N 0.021 120.529 120.570 -0.105 0.000 2.394 281 I HA -0.256 3.914 4.170 -0.001 0.000 0.251 281 I C 2.459 178.556 176.117 -0.033 0.000 1.136 281 I CA 1.021 62.284 61.300 -0.062 0.000 1.425 281 I CB -0.841 37.123 38.000 -0.060 0.000 1.079 281 I HN 0.475 nan 8.210 nan 0.000 0.425 282 E N 1.267 121.444 120.200 -0.038 0.000 2.070 282 E HA -0.269 4.081 4.350 -0.001 0.000 0.197 282 E C 2.237 178.841 176.600 0.005 0.000 1.004 282 E CA 1.606 57.998 56.400 -0.014 0.000 0.805 282 E CB 0.072 29.762 29.700 -0.017 0.000 0.744 282 E HN 0.276 nan 8.360 nan 0.000 0.451 283 R N 0.589 121.093 120.500 0.008 0.000 2.096 283 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 283 R C 2.605 178.941 176.300 0.059 0.000 1.127 283 R CA 1.334 57.452 56.100 0.031 0.000 0.968 283 R CB -1.773 28.549 30.300 0.037 0.000 0.861 283 R HN 0.396 nan 8.270 nan 0.000 0.440 284 V N 1.799 121.738 119.914 0.042 0.000 2.379 284 V HA -0.096 4.024 4.120 -0.001 0.000 0.245 284 V C 2.151 178.275 176.094 0.049 0.000 1.044 284 V CA 1.577 63.909 62.300 0.052 0.000 1.036 284 V CB -0.496 31.331 31.823 0.006 0.000 0.664 284 V HN 0.260 nan 8.190 nan 0.000 0.453 285 I N 0.601 121.189 120.570 0.029 0.000 2.286 285 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 285 I C 2.203 178.352 176.117 0.053 0.000 1.115 285 I CA 2.218 63.538 61.300 0.034 0.000 1.392 285 I CB -1.011 37.004 38.000 0.025 0.000 1.065 285 I HN 0.411 nan 8.210 nan 0.000 0.418 286 L N 0.086 121.342 121.223 0.055 0.000 2.187 286 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 286 L C 2.694 179.628 176.870 0.107 0.000 1.100 286 L CA 1.806 56.681 54.840 0.059 0.000 0.765 286 L CB -1.023 41.057 42.059 0.035 0.000 0.904 286 L HN 0.457 nan 8.230 nan 0.000 0.437 287 H N 0.008 119.080 119.070 0.004 0.000 2.399 287 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 287 H C 2.340 177.670 175.328 0.004 0.000 1.048 287 H CA 0.870 56.921 56.048 0.005 0.000 1.370 287 H CB 0.389 30.154 29.762 0.004 0.000 1.428 287 H HN 0.283 nan 8.280 nan 0.000 0.534 288 I N 0.942 121.557 120.570 0.074 0.000 2.264 288 I HA -0.273 3.896 4.170 -0.001 0.000 0.248 288 I C 1.806 177.946 176.117 0.038 0.000 1.111 288 I CA 1.518 62.819 61.300 0.001 0.000 1.382 288 I CB -0.853 37.138 38.000 -0.016 0.000 1.060 288 I HN 0.332 nan 8.210 nan 0.000 0.418 289 Q N 0.379 120.214 119.800 0.059 0.000 2.368 289 Q HA -0.077 4.262 4.340 -0.001 0.000 0.210 289 Q C 1.777 177.802 176.000 0.042 0.000 0.982 289 Q CA 1.864 57.693 55.803 0.044 0.000 0.884 289 Q CB -0.258 28.502 28.738 0.036 0.000 0.933 289 Q HN 0.749 nan 8.270 nan 0.000 0.460 290 V N -4.341 115.616 119.914 0.072 0.000 3.319 290 V HA 0.298 4.418 4.120 -0.001 0.000 0.317 290 V C 0.640 176.776 176.094 0.070 0.000 1.411 290 V CA 0.053 62.393 62.300 0.068 0.000 1.112 290 V CB 0.812 32.680 31.823 0.074 0.000 1.031 290 V HN 0.037 nan 8.190 nan 0.000 0.448 291 S N 1.430 117.159 115.700 0.048 0.000 4.107 291 S HA 0.194 4.663 4.470 -0.001 0.000 0.196 291 S C 1.747 176.342 174.600 -0.009 0.000 1.125 291 S CA 0.856 59.067 58.200 0.019 0.000 1.614 291 S CB 0.726 63.906 63.200 -0.034 0.000 1.234 291 S HN 0.652 nan 8.310 nan 0.000 0.799 292 T N 1.051 115.582 114.554 -0.038 0.000 2.803 292 T HA 0.055 4.404 4.350 -0.001 0.000 0.269 292 T C 1.418 176.071 174.700 -0.079 0.000 1.052 292 T CA 1.725 63.790 62.100 -0.057 0.000 1.136 292 T CB -0.602 68.224 68.868 -0.071 0.000 0.864 292 T HN 0.676 nan 8.240 nan 0.000 0.467 293 L N -0.650 120.555 121.223 -0.030 0.000 2.198 293 L HA -0.169 4.171 4.340 -0.001 0.000 0.476 293 L C 0.539 177.485 176.870 0.126 0.000 0.710 293 L CA 1.507 56.362 54.840 0.024 0.000 3.209 293 L CB -1.840 40.236 42.059 0.028 0.000 0.666 293 L HN 0.900 nan 8.230 nan 0.000 0.766 294 H N -2.199 116.900 119.070 0.048 0.000 2.935 294 H HA 0.493 5.048 4.556 -0.001 0.000 0.297 294 H C -3.267 172.095 175.328 0.057 0.000 1.423 294 H CA -1.382 54.696 56.048 0.051 0.000 1.161 294 H CB 1.386 31.187 29.762 0.065 0.000 1.841 294 H HN -0.180 nan 8.280 nan 0.000 0.506 295 P HA 0.045 nan 4.420 nan 0.000 0.274 295 P C 0.061 177.480 177.300 0.198 0.000 1.231 295 P CA -0.275 62.894 63.100 0.115 0.000 0.790 295 P CB 0.637 32.415 31.700 0.130 0.000 0.951 296 S N 0.952 116.713 115.700 0.101 0.000 3.298 296 S HA -0.115 4.355 4.470 -0.001 0.000 0.389 296 S C 1.661 176.392 174.600 0.217 0.000 1.186 296 S CA 0.808 59.096 58.200 0.146 0.000 1.034 296 S CB -0.645 62.620 63.200 0.108 0.000 0.735 296 S HN 0.698 nan 8.310 nan 0.000 0.510 297 T N 4.974 119.688 114.554 0.267 0.000 2.821 297 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 297 T C 1.389 176.160 174.700 0.118 0.000 1.046 297 T CA 1.555 63.748 62.100 0.155 0.000 1.139 297 T CB -0.529 68.386 68.868 0.079 0.000 0.871 297 T HN 0.696 nan 8.240 nan 0.000 0.454 298 F N 2.553 122.535 119.950 0.054 0.000 2.027 298 F HA -0.170 4.356 4.527 -0.001 0.000 0.297 298 F C 2.157 178.025 175.800 0.114 0.000 1.129 298 F CA 2.519 60.581 58.000 0.103 0.000 1.195 298 F CB -0.629 38.401 39.000 0.052 0.000 0.960 298 F HN 0.325 nan 8.300 nan 0.000 0.485 299 N N -0.744 118.121 118.700 0.274 0.000 2.188 299 N HA -0.196 4.544 4.740 -0.001 0.000 0.184 299 N C 1.784 177.318 175.510 0.041 0.000 1.018 299 N CA 0.987 54.125 53.050 0.148 0.000 0.858 299 N CB -0.276 38.296 38.487 0.142 0.000 0.989 299 N HN 0.490 nan 8.380 nan 0.000 0.426 300 Q N 0.317 120.149 119.800 0.053 0.000 2.096 300 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 300 Q C 1.799 177.767 176.000 -0.054 0.000 0.982 300 Q CA 0.995 56.806 55.803 0.014 0.000 0.850 300 Q CB 0.011 28.772 28.738 0.039 0.000 0.901 300 Q HN 0.283 nan 8.270 nan 0.000 0.422 301 L N 0.123 121.299 121.223 -0.077 0.000 2.005 301 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 301 L C 2.215 179.055 176.870 -0.050 0.000 1.072 301 L CA 1.642 56.401 54.840 -0.135 0.000 0.744 301 L CB -0.968 40.889 42.059 -0.335 0.000 0.895 301 L HN 0.327 nan 8.230 nan 0.000 0.433 302 M N -0.932 118.671 119.600 0.005 0.000 2.226 302 M HA -0.339 4.140 4.480 -0.001 0.000 0.257 302 M C 2.211 178.390 176.300 -0.202 0.000 1.070 302 M CA 2.176 57.409 55.300 -0.112 0.000 1.087 302 M CB -0.652 31.840 32.600 -0.181 0.000 1.278 302 M HN 0.161 nan 8.290 nan 0.000 0.426 303 I N -0.767 119.675 120.570 -0.212 0.000 2.335 303 I HA -0.297 3.873 4.170 -0.001 0.000 0.251 303 I C 2.685 178.585 176.117 -0.361 0.000 1.129 303 I CA 1.531 62.637 61.300 -0.323 0.000 1.402 303 I CB -0.518 37.312 38.000 -0.284 0.000 1.069 303 I HN 0.398 nan 8.210 nan 0.000 0.424 304 S N -0.049 115.509 115.700 -0.238 0.000 2.436 304 S HA -0.122 4.348 4.470 -0.001 0.000 0.228 304 S C 1.961 176.487 174.600 -0.123 0.000 1.014 304 S CA 0.860 58.949 58.200 -0.184 0.000 0.950 304 S CB -0.029 63.121 63.200 -0.082 0.000 0.784 304 S HN 0.459 nan 8.310 nan 0.000 0.504 305 Q N 0.111 119.808 119.800 -0.172 0.000 2.137 305 Q HA 0.058 4.398 4.340 -0.001 0.000 0.198 305 Q C 2.191 178.061 176.000 -0.217 0.000 0.960 305 Q CA 1.229 56.943 55.803 -0.149 0.000 0.847 305 Q CB -0.249 28.429 28.738 -0.100 0.000 0.915 305 Q HN 0.584 nan 8.270 nan 0.000 0.448 306 L N 0.338 121.343 121.223 -0.364 0.000 1.994 306 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 306 L C 1.894 178.399 176.870 -0.608 0.000 1.071 306 L CA 1.397 55.876 54.840 -0.601 0.000 0.745 306 L CB -0.361 41.229 42.059 -0.781 0.000 0.892 306 L HN 0.152 nan 8.230 nan 0.000 0.431 307 L N -0.285 120.583 121.223 -0.592 0.000 2.083 307 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 307 L C 2.687 179.296 176.870 -0.435 0.000 1.083 307 L CA 1.739 56.169 54.840 -0.682 0.000 0.752 307 L CB -1.588 39.534 42.059 -1.562 0.000 0.899 307 L HN 0.469 nan 8.230 nan 0.000 0.433 308 H N -1.749 117.124 119.070 -0.328 0.000 2.462 308 H HA -0.087 4.468 4.556 -0.001 0.000 0.292 308 H C 1.910 177.273 175.328 0.057 0.000 1.049 308 H CA 1.118 57.156 56.048 -0.017 0.000 1.334 308 H CB 0.588 30.338 29.762 -0.019 0.000 1.404 308 H HN 0.290 nan 8.280 nan 0.000 0.544 309 E N 0.368 120.622 120.200 0.088 0.000 2.086 309 E HA -0.102 4.247 4.350 -0.001 0.000 0.190 309 E C 1.955 178.673 176.600 0.195 0.000 0.975 309 E CA 0.523 56.970 56.400 0.079 0.000 0.813 309 E CB -0.176 29.496 29.700 -0.046 0.000 0.768 309 E HN 0.251 nan 8.360 nan 0.000 0.457 310 W N 0.949 122.262 121.300 0.021 0.000 2.355 310 W HA 0.190 4.850 4.660 -0.001 0.000 0.309 310 W C 0.975 177.568 176.519 0.123 0.000 1.206 310 W CA 2.163 59.541 57.345 0.056 0.000 1.284 310 W CB -0.924 28.567 29.460 0.051 0.000 1.145 310 W HN 0.248 nan 8.180 nan 0.000 0.502 311 G N -0.354 108.703 108.800 0.427 0.000 2.721 311 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.686 311 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.686 311 G C 0.365 175.534 174.900 0.448 0.000 1.236 311 G CA -0.117 45.198 45.100 0.358 0.000 0.786 311 G HN 0.192 nan 8.290 nan 0.000 0.616 312 E N -0.418 119.990 120.200 0.347 0.000 2.284 312 E HA -0.193 4.157 4.350 -0.001 0.000 0.200 312 E C 2.148 178.924 176.600 0.293 0.000 1.008 312 E CA 1.435 58.004 56.400 0.282 0.000 0.829 312 E CB 0.154 29.805 29.700 -0.083 0.000 0.744 312 E HN 0.550 nan 8.360 nan 0.000 0.491 313 E N -0.333 119.984 120.200 0.194 0.000 2.086 313 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 313 E C 2.130 178.742 176.600 0.021 0.000 0.975 313 E CA 1.015 57.475 56.400 0.100 0.000 0.813 313 E CB -0.096 29.643 29.700 0.066 0.000 0.768 313 E HN 0.287 nan 8.360 nan 0.000 0.457 314 G N 0.479 109.294 108.800 0.025 0.000 2.448 314 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 314 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 314 G C 1.396 175.938 174.900 -0.598 0.000 1.127 314 G CA 0.554 45.481 45.100 -0.289 0.000 0.766 314 G HN 0.335 nan 8.290 nan 0.000 0.552 315 F N 0.998 120.820 119.950 -0.213 0.000 2.146 315 F HA 0.017 4.543 4.527 -0.001 0.000 0.298 315 F C 2.459 178.175 175.800 -0.141 0.000 1.096 315 F CA 1.374 59.300 58.000 -0.123 0.000 1.275 315 F CB 0.094 39.284 39.000 0.317 0.000 1.008 315 F HN 0.010 nan 8.300 nan 0.000 0.480 316 M N -0.028 119.465 119.600 -0.178 0.000 2.388 316 M HA 0.114 4.593 4.480 -0.001 0.000 0.265 316 M C 2.432 178.587 176.300 -0.241 0.000 1.088 316 M CA 1.183 56.355 55.300 -0.214 0.000 1.134 316 M CB -1.772 30.844 32.600 0.026 0.000 1.384 316 M HN 0.298 nan 8.290 nan 0.000 0.447 317 A N -0.692 121.986 122.820 -0.237 0.000 1.969 317 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 317 A C 2.000 179.415 177.584 -0.282 0.000 1.169 317 A CA 1.999 53.906 52.037 -0.218 0.000 0.635 317 A CB -0.996 17.887 19.000 -0.195 0.000 0.810 317 A HN 0.572 nan 8.150 nan 0.000 0.445 318 H N 0.488 119.229 119.070 -0.548 0.000 2.321 318 H HA -0.103 4.452 4.556 -0.001 0.000 0.300 318 H C 1.982 177.117 175.328 -0.321 0.000 1.087 318 H CA 2.582 58.321 56.048 -0.516 0.000 1.319 318 H CB -0.343 28.871 29.762 -0.914 0.000 1.379 318 H HN 0.293 nan 8.280 nan 0.000 0.501 319 V N -0.922 118.681 119.914 -0.518 0.000 2.407 319 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 319 V C 1.837 177.805 176.094 -0.210 0.000 1.055 319 V CA 2.213 64.280 62.300 -0.388 0.000 1.049 319 V CB -0.416 31.208 31.823 -0.332 0.000 0.662 319 V HN 0.347 nan 8.190 nan 0.000 0.455 320 D N 0.705 121.002 120.400 -0.170 0.000 2.117 320 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 320 D C 2.449 178.721 176.300 -0.047 0.000 0.987 320 D CA 1.888 55.843 54.000 -0.074 0.000 0.829 320 D CB -0.220 40.544 40.800 -0.060 0.000 0.961 320 D HN 0.534 nan 8.370 nan 0.000 0.460 321 R N 0.451 120.889 120.500 -0.103 0.000 2.092 321 R HA -0.058 4.282 4.340 -0.001 0.000 0.231 321 R C 2.492 178.795 176.300 0.004 0.000 1.119 321 R CA 0.593 56.664 56.100 -0.048 0.000 0.970 321 R CB -0.351 29.906 30.300 -0.072 0.000 0.864 321 R HN 0.078 nan 8.270 nan 0.000 0.440 322 V N 1.588 121.450 119.914 -0.087 0.000 2.295 322 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 322 V C 2.301 178.578 176.094 0.305 0.000 1.049 322 V CA 1.693 64.036 62.300 0.072 0.000 1.024 322 V CB -0.418 31.347 31.823 -0.097 0.000 0.648 322 V HN 0.271 nan 8.190 nan 0.000 0.447 323 I N 0.336 121.015 120.570 0.181 0.000 2.208 323 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 323 I C 2.269 178.568 176.117 0.304 0.000 1.097 323 I CA 1.709 63.166 61.300 0.262 0.000 1.363 323 I CB -0.523 37.566 38.000 0.149 0.000 1.051 323 I HN 0.368 nan 8.210 nan 0.000 0.413 324 D N 0.483 121.000 120.400 0.194 0.000 2.149 324 D HA -0.184 4.455 4.640 -0.001 0.000 0.201 324 D C 1.939 178.321 176.300 0.136 0.000 0.972 324 D CA 1.108 55.186 54.000 0.131 0.000 0.835 324 D CB -0.380 40.467 40.800 0.079 0.000 0.966 324 D HN 0.297 nan 8.370 nan 0.000 0.476 325 F N 0.753 120.744 119.950 0.069 0.000 2.126 325 F HA -0.263 4.263 4.527 -0.001 0.000 0.299 325 F C 1.996 177.795 175.800 -0.001 0.000 1.096 325 F CA 1.405 59.404 58.000 -0.002 0.000 1.255 325 F CB -0.384 38.577 39.000 -0.065 0.000 0.997 325 F HN -0.092 nan 8.300 nan 0.000 0.479 326 Y N -0.619 119.737 120.300 0.093 0.000 2.439 326 Y HA -0.087 4.462 4.550 -0.000 0.000 0.292 326 Y C 2.793 178.628 175.900 -0.108 0.000 1.130 326 Y CA 1.266 59.434 58.100 0.114 0.000 1.254 326 Y CB -0.705 38.035 38.460 0.466 0.000 1.000 326 Y HN 0.049 nan 8.280 nan 0.000 0.554 327 S N -0.137 115.522 115.700 -0.068 0.000 2.383 327 S HA -0.168 4.301 4.470 -0.001 0.000 0.227 327 S C 1.745 176.099 174.600 -0.410 0.000 1.026 327 S CA 1.250 59.175 58.200 -0.459 0.000 0.981 327 S CB -0.350 62.725 63.200 -0.208 0.000 0.818 327 S HN 0.576 nan 8.310 nan 0.000 0.472 328 N N 0.202 118.719 118.700 -0.306 0.000 2.244 328 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 328 N C 1.884 177.176 175.510 -0.363 0.000 1.016 328 N CA 0.720 53.590 53.050 -0.301 0.000 0.866 328 N CB 0.018 38.340 38.487 -0.274 0.000 0.980 328 N HN 0.324 nan 8.380 nan 0.000 0.430 329 Q N 1.183 120.717 119.800 -0.443 0.000 2.096 329 Q HA -0.092 4.247 4.340 -0.001 0.000 0.197 329 Q C 1.966 177.683 176.000 -0.471 0.000 0.964 329 Q CA 0.917 56.493 55.803 -0.378 0.000 0.838 329 Q CB -0.132 28.404 28.738 -0.335 0.000 0.906 329 Q HN 0.387 nan 8.270 nan 0.000 0.444 330 K N 1.066 121.029 120.400 -0.728 0.000 1.985 330 K HA -0.196 4.124 4.320 -0.001 0.000 0.210 330 K C 1.320 177.527 176.600 -0.654 0.000 1.047 330 K CA 1.750 57.334 56.287 -1.172 0.000 0.932 330 K CB -0.080 31.697 32.500 -1.205 0.000 0.716 330 K HN -0.055 nan 8.250 nan 0.000 0.439 331 D N 0.861 120.975 120.400 -0.477 0.000 2.204 331 D HA -0.253 4.387 4.640 -0.001 0.000 0.189 331 D C 1.876 178.001 176.300 -0.291 0.000 1.006 331 D CA 2.085 55.894 54.000 -0.318 0.000 0.855 331 D CB -0.603 40.046 40.800 -0.251 0.000 0.946 331 D HN 0.481 nan 8.370 nan 0.000 0.448 332 A N 0.309 122.955 122.820 -0.291 0.000 1.978 332 A HA -0.148 4.172 4.320 -0.001 0.000 0.220 332 A C 2.365 179.781 177.584 -0.279 0.000 1.170 332 A CA 1.079 52.974 52.037 -0.238 0.000 0.636 332 A CB -0.651 18.236 19.000 -0.188 0.000 0.810 332 A HN 0.331 nan 8.150 nan 0.000 0.448 333 I N -1.246 119.116 120.570 -0.346 0.000 2.480 333 I HA -0.119 4.050 4.170 -0.001 0.000 0.251 333 I C 1.985 177.792 176.117 -0.516 0.000 1.124 333 I CA 0.504 61.561 61.300 -0.405 0.000 1.444 333 I CB 0.007 37.858 38.000 -0.248 0.000 1.098 333 I HN 0.190 nan 8.210 nan 0.000 0.428 334 L N 1.159 122.148 121.223 -0.391 0.000 1.990 334 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 334 L C 2.807 179.538 176.870 -0.231 0.000 1.072 334 L CA 2.344 57.028 54.840 -0.261 0.000 0.755 334 L CB -1.802 40.194 42.059 -0.106 0.000 0.889 334 L HN 0.288 nan 8.230 nan 0.000 0.432 335 A N -0.624 122.067 122.820 -0.215 0.000 1.903 335 A HA -0.261 4.059 4.320 -0.001 0.000 0.219 335 A C 2.423 179.867 177.584 -0.233 0.000 1.191 335 A CA 2.381 54.309 52.037 -0.182 0.000 0.638 335 A CB -1.047 17.856 19.000 -0.162 0.000 0.823 335 A HN 0.455 nan 8.150 nan 0.000 0.451 336 A N -0.961 121.653 122.820 -0.343 0.000 2.070 336 A HA 0.208 4.527 4.320 -0.001 0.000 0.220 336 A C 2.295 179.607 177.584 -0.453 0.000 1.159 336 A CA 2.047 53.865 52.037 -0.366 0.000 0.656 336 A CB -0.625 18.034 19.000 -0.570 0.000 0.800 336 A HN 1.066 nan 8.150 nan 0.000 0.453 337 A N -0.493 121.982 122.820 -0.574 0.000 1.924 337 A HA 0.039 4.359 4.320 -0.001 0.000 0.211 337 A C 1.662 179.218 177.584 -0.047 0.000 1.198 337 A CA 1.056 52.771 52.037 -0.537 0.000 0.657 337 A CB -0.221 18.078 19.000 -1.169 0.000 0.852 337 A HN 0.375 nan 8.150 nan 0.000 0.454 338 D N 0.254 120.732 120.400 0.130 0.000 2.190 338 D HA -0.191 4.448 4.640 -0.001 0.000 0.200 338 D C 1.779 178.097 176.300 0.031 0.000 0.992 338 D CA 1.601 55.722 54.000 0.201 0.000 0.854 338 D CB -0.113 40.755 40.800 0.113 0.000 0.936 338 D HN 0.593 nan 8.370 nan 0.000 0.462 339 K N -0.607 119.730 120.400 -0.105 0.000 2.031 339 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 339 K C 1.638 178.026 176.600 -0.353 0.000 1.049 339 K CA 1.030 57.132 56.287 -0.310 0.000 0.939 339 K CB 0.007 32.220 32.500 -0.479 0.000 0.717 339 K HN 0.142 nan 8.250 nan 0.000 0.438 340 W N -0.757 120.563 121.300 0.034 0.000 2.993 340 W HA 0.189 4.849 4.660 -0.001 0.000 0.290 340 W C 1.050 177.635 176.519 0.109 0.000 1.203 340 W CA -0.598 56.792 57.345 0.075 0.000 1.582 340 W CB 0.509 30.031 29.460 0.104 0.000 1.033 340 W HN 0.043 nan 8.180 nan 0.000 0.594 341 L N -0.209 121.199 121.223 0.307 0.000 2.638 341 L HA 0.251 4.590 4.340 -0.001 0.000 0.232 341 L C 0.760 177.845 176.870 0.359 0.000 1.099 341 L CA 0.757 55.793 54.840 0.328 0.000 0.883 341 L CB -0.828 41.401 42.059 0.285 0.000 1.136 341 L HN -0.349 nan 8.230 nan 0.000 0.492 342 T N 0.319 115.056 114.554 0.306 0.000 2.866 342 T HA 0.340 4.689 4.350 -0.001 0.000 0.293 342 T C 1.333 176.100 174.700 0.112 0.000 1.005 342 T CA 1.039 63.251 62.100 0.188 0.000 1.162 342 T CB 0.259 69.188 68.868 0.101 0.000 0.968 342 T HN 0.564 nan 8.240 nan 0.000 0.530 343 G N 2.521 111.359 108.800 0.065 0.000 2.284 343 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.247 343 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.247 343 G C 0.743 175.676 174.900 0.056 0.000 1.012 343 G CA 0.349 45.473 45.100 0.040 0.000 0.618 343 G HN 0.656 nan 8.290 nan 0.000 0.521 344 L N 0.119 121.405 121.223 0.106 0.000 2.638 344 L HA 0.699 5.038 4.340 -0.001 0.000 0.232 344 L C 1.145 178.072 176.870 0.096 0.000 1.099 344 L CA 0.775 55.671 54.840 0.092 0.000 0.883 344 L CB 0.314 42.439 42.059 0.111 0.000 1.136 344 L HN 0.693 nan 8.230 nan 0.000 0.492 345 A N -0.096 122.826 122.820 0.169 0.000 2.599 345 A HA 0.722 5.042 4.320 -0.001 0.000 0.290 345 A C -1.469 176.233 177.584 0.197 0.000 1.101 345 A CA -0.506 51.645 52.037 0.191 0.000 0.674 345 A CB 1.501 20.670 19.000 0.281 0.000 1.277 345 A HN 0.044 nan 8.150 nan 0.000 0.419 346 E N -0.603 119.670 120.200 0.122 0.000 2.288 346 E HA 0.656 5.006 4.350 -0.001 0.000 0.268 346 E C -1.507 175.179 176.600 0.143 0.000 0.885 346 E CA -0.303 56.038 56.400 -0.098 0.000 0.767 346 E CB 2.049 31.635 29.700 -0.191 0.000 1.220 346 E HN 0.693 nan 8.360 nan 0.000 0.427 347 W N 0.254 121.501 121.300 -0.088 0.000 3.118 347 W HA 0.515 5.175 4.660 -0.001 0.000 0.328 347 W C -1.016 175.438 176.519 -0.108 0.000 1.239 347 W CA -0.843 56.459 57.345 -0.073 0.000 1.176 347 W CB 0.562 30.058 29.460 0.061 0.000 1.433 347 W HN 0.347 nan 8.180 nan 0.000 0.562 348 H N 1.389 120.659 119.070 0.333 0.000 2.483 348 H HA 0.376 4.931 4.556 -0.001 0.000 0.338 348 H C 0.046 175.574 175.328 0.333 0.000 1.152 348 H CA -0.945 55.239 56.048 0.227 0.000 1.264 348 H CB 2.176 32.060 29.762 0.202 0.000 1.510 348 H HN 0.518 nan 8.280 nan 0.000 0.530 349 V N 3.890 124.027 119.914 0.371 0.000 2.521 349 V HA 0.132 4.252 4.120 -0.001 0.000 0.286 349 V C -2.185 174.076 176.094 0.278 0.000 1.034 349 V CA -1.215 61.258 62.300 0.288 0.000 1.045 349 V CB 0.174 32.104 31.823 0.177 0.000 0.974 349 V HN 0.585 nan 8.190 nan 0.000 0.480 350 P HA 0.219 nan 4.420 nan 0.000 0.263 350 P C 0.267 177.829 177.300 0.436 0.000 1.195 350 P CA 0.362 63.687 63.100 0.375 0.000 0.762 350 P CB 1.125 33.129 31.700 0.507 0.000 0.799 351 A N 2.967 125.946 122.820 0.264 0.000 2.030 351 A HA 0.488 4.808 4.320 -0.001 0.000 0.215 351 A C 0.882 178.374 177.584 -0.154 0.000 1.164 351 A CA 1.287 53.416 52.037 0.154 0.000 0.697 351 A CB -0.153 18.876 19.000 0.049 0.000 0.827 351 A HN 0.626 nan 8.150 nan 0.000 0.457 352 A N -3.164 119.459 122.820 -0.329 0.000 2.605 352 A HA 0.637 4.957 4.320 -0.001 0.000 0.294 352 A C 0.475 177.757 177.584 -0.502 0.000 1.062 352 A CA 0.119 51.719 52.037 -0.727 0.000 0.682 352 A CB -0.001 18.780 19.000 -0.364 0.000 1.278 352 A HN 2.078 nan 8.150 nan 0.000 0.410 353 G N 0.238 108.689 108.800 -0.581 0.000 2.578 353 G HA2 0.149 4.109 3.960 -0.001 0.000 0.232 353 G HA3 0.149 4.109 3.960 -0.001 0.000 0.232 353 G C 0.517 175.155 174.900 -0.437 0.000 1.176 353 G CA 0.770 45.481 45.100 -0.649 0.000 0.968 353 G HN 2.472 nan 8.290 nan 0.000 0.583 354 M N -1.786 117.331 119.600 -0.806 0.000 2.722 354 M HA 0.643 5.123 4.480 -0.001 0.000 0.451 354 M C -1.150 174.083 176.300 -1.778 0.000 1.225 354 M CA -0.139 54.353 55.300 -1.346 0.000 0.874 354 M CB 0.743 32.770 32.600 -0.955 0.000 1.736 354 M HN 0.468 nan 8.290 nan 0.000 0.584 355 F N 1.853 121.491 119.950 -0.521 0.000 2.556 355 F HA 0.678 5.205 4.527 -0.001 0.000 0.314 355 F C -0.872 175.161 175.800 0.390 0.000 1.106 355 F CA -1.267 56.687 58.000 -0.077 0.000 0.911 355 F CB 1.994 40.931 39.000 -0.104 0.000 1.190 355 F HN 0.060 nan 8.300 nan 0.000 0.448 356 L N 4.405 126.026 121.223 0.664 0.000 2.282 356 L HA 0.430 4.770 4.340 -0.001 0.000 0.288 356 L C -1.245 175.924 176.870 0.499 0.000 1.033 356 L CA -0.492 54.668 54.840 0.533 0.000 0.807 356 L CB 0.988 43.275 42.059 0.380 0.000 1.209 356 L HN 0.724 nan 8.230 nan 0.000 0.423 357 W N 8.456 129.907 121.300 0.252 0.000 2.329 357 W HA 0.499 5.159 4.660 -0.001 0.000 0.312 357 W C -1.268 175.445 176.519 0.323 0.000 1.054 357 W CA -1.088 56.389 57.345 0.221 0.000 1.245 357 W CB 1.683 31.218 29.460 0.126 0.000 1.255 357 W HN 0.594 nan 8.180 nan 0.000 0.436 358 I N 5.044 125.649 120.570 0.059 0.000 2.411 358 I HA 0.350 4.520 4.170 -0.001 0.000 0.284 358 I C -0.872 175.143 176.117 -0.171 0.000 1.012 358 I CA -0.643 60.696 61.300 0.065 0.000 1.119 358 I CB 1.590 39.641 38.000 0.086 0.000 1.261 358 I HN 0.359 nan 8.210 nan 0.000 0.448 359 K N 7.459 127.712 120.400 -0.245 0.000 2.284 359 K HA 0.435 4.755 4.320 -0.001 0.000 0.287 359 K C -0.429 175.996 176.600 -0.291 0.000 1.081 359 K CA -0.691 55.219 56.287 -0.628 0.000 0.910 359 K CB 1.053 33.071 32.500 -0.803 0.000 1.088 359 K HN 0.734 nan 8.250 nan 0.000 0.478 360 V N 2.660 122.412 119.914 -0.270 0.000 2.530 360 V HA 0.268 4.388 4.120 -0.001 0.000 0.282 360 V C -0.225 175.787 176.094 -0.137 0.000 1.048 360 V CA -0.528 61.689 62.300 -0.138 0.000 0.997 360 V CB 0.684 32.444 31.823 -0.105 0.000 0.987 360 V HN 0.680 nan 8.190 nan 0.000 0.477 361 K N 4.065 124.418 120.400 -0.077 0.000 2.270 361 K HA 0.441 4.761 4.320 -0.001 0.000 0.276 361 K C 1.175 177.745 176.600 -0.051 0.000 1.023 361 K CA 0.381 56.629 56.287 -0.065 0.000 0.955 361 K CB 1.048 33.527 32.500 -0.034 0.000 0.975 361 K HN 1.472 nan 8.250 nan 0.000 0.471 362 G N 2.425 111.195 108.800 -0.049 0.000 2.233 362 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.270 362 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.270 362 G C 0.024 174.901 174.900 -0.038 0.000 1.011 362 G CA 0.149 45.227 45.100 -0.037 0.000 0.762 362 G HN 0.594 nan 8.290 nan 0.000 0.511 363 I N 0.051 120.589 120.570 -0.053 0.000 2.542 363 I HA 0.179 4.348 4.170 -0.001 0.000 0.278 363 I C 0.697 176.777 176.117 -0.060 0.000 1.069 363 I CA -0.892 60.377 61.300 -0.051 0.000 1.100 363 I CB 1.217 39.186 38.000 -0.052 0.000 1.204 363 I HN 0.011 nan 8.210 nan 0.000 0.470 364 N N 2.818 121.491 118.700 -0.046 0.000 2.381 364 N HA -0.092 4.648 4.740 -0.001 0.000 0.182 364 N C -0.266 175.221 175.510 -0.039 0.000 1.025 364 N CA 0.843 53.867 53.050 -0.044 0.000 0.888 364 N CB 0.095 38.563 38.487 -0.031 0.000 0.965 364 N HN 0.553 nan 8.380 nan 0.000 0.438 365 D N -1.886 118.494 120.400 -0.032 0.000 2.990 365 D HA 0.238 4.878 4.640 -0.001 0.000 0.227 365 D C -0.444 175.846 176.300 -0.017 0.000 1.249 365 D CA -0.434 53.555 54.000 -0.019 0.000 0.891 365 D CB 1.651 42.445 40.800 -0.010 0.000 1.647 365 D HN -0.286 nan 8.370 nan 0.000 0.530 366 V N 4.323 124.233 119.914 -0.007 0.000 3.647 366 V HA 0.065 4.185 4.120 -0.001 0.000 0.279 366 V C 1.980 178.076 176.094 0.003 0.000 1.314 366 V CA 0.529 62.822 62.300 -0.012 0.000 1.125 366 V CB -0.157 31.654 31.823 -0.020 0.000 0.907 366 V HN 0.573 nan 8.190 nan 0.000 0.434 367 K N 0.556 120.965 120.400 0.014 0.000 2.026 367 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 367 K C 1.979 178.582 176.600 0.004 0.000 1.048 367 K CA 1.802 58.099 56.287 0.017 0.000 0.929 367 K CB 0.118 32.630 32.500 0.021 0.000 0.713 367 K HN 0.368 nan 8.250 nan 0.000 0.439 368 E N 1.077 121.276 120.200 -0.002 0.000 2.058 368 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 368 E C 1.827 178.420 176.600 -0.011 0.000 0.997 368 E CA 1.199 57.595 56.400 -0.007 0.000 0.801 368 E CB -0.368 29.326 29.700 -0.010 0.000 0.746 368 E HN 0.269 nan 8.360 nan 0.000 0.450 369 L N 0.169 121.382 121.223 -0.016 0.000 2.017 369 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 369 L C 1.888 178.742 176.870 -0.026 0.000 1.073 369 L CA 1.559 56.384 54.840 -0.024 0.000 0.745 369 L CB -0.279 41.761 42.059 -0.032 0.000 0.894 369 L HN 0.100 nan 8.230 nan 0.000 0.432 370 I N -0.052 120.507 120.570 -0.019 0.000 2.193 370 I HA -0.213 3.956 4.170 -0.001 0.000 0.240 370 I C 2.534 178.647 176.117 -0.008 0.000 1.084 370 I CA 1.757 63.048 61.300 -0.015 0.000 1.365 370 I CB -1.480 36.520 38.000 0.000 0.000 1.064 370 I HN 0.544 nan 8.210 nan 0.000 0.410 371 E N 1.056 121.256 120.200 -0.001 0.000 2.216 371 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 371 E C 1.647 178.245 176.600 -0.003 0.000 0.988 371 E CA 0.970 57.372 56.400 0.002 0.000 0.834 371 E CB 0.305 30.009 29.700 0.007 0.000 0.772 371 E HN 0.570 nan 8.360 nan 0.000 0.479 372 E N 0.383 120.578 120.200 -0.007 0.000 2.121 372 E HA 0.027 4.377 4.350 -0.001 0.000 0.194 372 E C 2.113 178.705 176.600 -0.014 0.000 0.940 372 E CA 0.267 56.662 56.400 -0.009 0.000 0.884 372 E CB 0.216 29.911 29.700 -0.008 0.000 0.874 372 E HN 0.061 nan 8.360 nan 0.000 0.471 373 K N 1.099 121.489 120.400 -0.018 0.000 2.001 373 K HA -0.019 4.300 4.320 -0.001 0.000 0.208 373 K C 2.260 178.842 176.600 -0.031 0.000 1.048 373 K CA 1.219 57.491 56.287 -0.024 0.000 0.932 373 K CB -0.169 32.314 32.500 -0.027 0.000 0.715 373 K HN 0.025 nan 8.250 nan 0.000 0.437 374 A N 1.969 124.768 122.820 -0.035 0.000 1.873 374 A HA -0.124 4.195 4.320 -0.001 0.000 0.215 374 A C 2.517 180.081 177.584 -0.033 0.000 1.186 374 A CA 1.695 53.706 52.037 -0.044 0.000 0.616 374 A CB -1.089 17.876 19.000 -0.058 0.000 0.823 374 A HN 0.210 nan 8.150 nan 0.000 0.442 375 V N -0.724 119.177 119.914 -0.021 0.000 2.250 375 V HA -0.372 3.747 4.120 -0.001 0.000 0.253 375 V C 2.118 178.203 176.094 -0.014 0.000 1.065 375 V CA 2.905 65.197 62.300 -0.012 0.000 1.039 375 V CB -1.070 30.751 31.823 -0.004 0.000 0.647 375 V HN 0.548 nan 8.190 nan 0.000 0.446 376 K N -0.981 119.409 120.400 -0.016 0.000 2.280 376 K HA 0.023 4.343 4.320 -0.001 0.000 0.202 376 K C 1.997 178.585 176.600 -0.020 0.000 1.047 376 K CA 1.699 57.977 56.287 -0.015 0.000 0.942 376 K CB -0.156 32.335 32.500 -0.015 0.000 0.739 376 K HN 0.568 nan 8.250 nan 0.000 0.457 377 M N -0.959 118.624 119.600 -0.028 0.000 2.428 377 M HA 0.120 4.600 4.480 -0.001 0.000 0.239 377 M C 0.612 176.891 176.300 -0.036 0.000 1.121 377 M CA 0.595 55.873 55.300 -0.035 0.000 1.019 377 M CB 1.264 33.836 32.600 -0.047 0.000 1.485 377 M HN 0.372 nan 8.290 nan 0.000 0.484 378 G N 1.702 110.486 108.800 -0.028 0.000 2.131 378 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.223 378 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.223 378 G C -0.228 174.659 174.900 -0.023 0.000 0.990 378 G CA 0.198 45.286 45.100 -0.021 0.000 0.671 378 G HN 0.473 nan 8.290 nan 0.000 0.521 379 V N -0.032 119.863 119.914 -0.033 0.000 2.577 379 V HA 0.868 4.988 4.120 -0.001 0.000 0.303 379 V C -0.522 175.550 176.094 -0.037 0.000 1.042 379 V CA -1.148 61.127 62.300 -0.041 0.000 0.872 379 V CB 1.651 33.430 31.823 -0.073 0.000 0.998 379 V HN 0.506 nan 8.190 nan 0.000 0.423 380 L N 7.600 128.812 121.223 -0.019 0.000 2.362 380 L HA 0.760 5.099 4.340 -0.001 0.000 0.275 380 L C 0.007 176.879 176.870 0.002 0.000 0.998 380 L CA -0.577 54.262 54.840 -0.002 0.000 0.820 380 L CB 1.953 44.026 42.059 0.023 0.000 1.270 380 L HN 0.666 nan 8.230 nan 0.000 0.415 381 M N 2.525 122.125 119.600 0.000 0.000 2.719 381 M HA 0.579 5.059 4.480 -0.001 0.000 0.291 381 M C -1.403 174.938 176.300 0.069 0.000 1.264 381 M CA -0.928 54.387 55.300 0.024 0.000 0.811 381 M CB 2.657 35.232 32.600 -0.041 0.000 1.756 381 M HN 0.357 nan 8.290 nan 0.000 0.464 382 L N 2.741 124.037 121.223 0.123 0.000 2.294 382 L HA 0.528 4.868 4.340 -0.001 0.000 0.283 382 L C -2.467 174.544 176.870 0.234 0.000 1.015 382 L CA -1.258 53.692 54.840 0.183 0.000 0.831 382 L CB 1.242 43.450 42.059 0.248 0.000 1.217 382 L HN 0.335 nan 8.230 nan 0.000 0.420 383 P HA 0.097 nan 4.420 nan 0.000 0.266 383 P C 0.690 178.208 177.300 0.363 0.000 1.195 383 P CA 0.072 63.289 63.100 0.195 0.000 0.768 383 P CB 0.743 32.517 31.700 0.123 0.000 0.838 384 G N 2.537 111.579 108.800 0.403 0.000 2.625 384 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.214 384 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.214 384 G C 0.911 176.324 174.900 0.854 0.000 1.132 384 G CA 0.264 45.829 45.100 0.775 0.000 0.782 384 G HN 0.608 nan 8.290 nan 0.000 0.538 385 N N 1.159 120.140 118.700 0.469 0.000 2.396 385 N HA 0.111 4.850 4.740 -0.001 0.000 0.180 385 N C 1.973 177.629 175.510 0.243 0.000 1.028 385 N CA 0.930 54.195 53.050 0.359 0.000 0.893 385 N CB -0.214 38.372 38.487 0.165 0.000 0.967 385 N HN 0.192 nan 8.380 nan 0.000 0.440 386 A N -0.223 122.582 122.820 -0.024 0.000 2.209 386 A HA 0.140 4.460 4.320 -0.001 0.000 0.212 386 A C 0.654 177.960 177.584 -0.464 0.000 1.158 386 A CA 0.308 52.147 52.037 -0.329 0.000 0.742 386 A CB -0.684 17.981 19.000 -0.559 0.000 0.790 386 A HN 0.338 nan 8.150 nan 0.000 0.472 387 F N -1.744 118.235 119.950 0.048 0.000 2.645 387 F HA 0.313 4.840 4.527 -0.001 0.000 0.300 387 F C -0.385 175.188 175.800 -0.378 0.000 1.115 387 F CA -0.333 57.554 58.000 -0.189 0.000 1.355 387 F CB -0.184 38.618 39.000 -0.330 0.000 1.026 387 F HN 0.122 nan 8.300 nan 0.000 0.536 388 Y N -1.597 118.760 120.300 0.095 0.000 2.409 388 Y HA 0.355 4.904 4.550 -0.001 0.000 0.343 388 Y C 1.123 177.027 175.900 0.006 0.000 0.973 388 Y CA -1.318 56.824 58.100 0.069 0.000 1.064 388 Y CB 1.286 39.807 38.460 0.100 0.000 1.207 388 Y HN -0.225 nan 8.280 nan 0.000 0.452 389 V N 0.161 120.156 119.914 0.135 0.000 2.250 389 V HA -0.314 3.806 4.120 -0.001 0.000 0.253 389 V C 0.855 176.988 176.094 0.065 0.000 1.065 389 V CA 2.206 64.547 62.300 0.068 0.000 1.039 389 V CB -0.301 31.560 31.823 0.064 0.000 0.647 389 V HN 0.790 nan 8.190 nan 0.000 0.446 390 D N 0.056 120.519 120.400 0.105 0.000 2.517 390 D HA 0.119 4.759 4.640 -0.001 0.000 0.220 390 D C 1.426 177.771 176.300 0.075 0.000 1.158 390 D CA 0.613 54.650 54.000 0.062 0.000 0.992 390 D CB 0.588 41.412 40.800 0.040 0.000 1.058 390 D HN 0.418 nan 8.370 nan 0.000 0.516 391 S N 1.091 116.821 115.700 0.050 0.000 2.474 391 S HA -0.175 4.295 4.470 -0.001 0.000 0.235 391 S C 1.767 176.384 174.600 0.029 0.000 0.997 391 S CA 0.862 59.095 58.200 0.056 0.000 0.949 391 S CB -0.291 62.903 63.200 -0.011 0.000 0.766 391 S HN 0.341 nan 8.310 nan 0.000 0.517 392 S N 1.310 117.014 115.700 0.006 0.000 2.528 392 S HA 0.503 4.973 4.470 -0.001 0.000 0.219 392 S C 0.909 175.505 174.600 -0.007 0.000 0.985 392 S CA 0.009 58.208 58.200 -0.002 0.000 0.914 392 S CB -0.574 62.621 63.200 -0.009 0.000 0.776 392 S HN 0.773 nan 8.310 nan 0.000 0.526 393 A N 3.356 126.166 122.820 -0.017 0.000 2.448 393 A HA 0.521 4.841 4.320 -0.001 0.000 0.239 393 A C -2.116 175.440 177.584 -0.047 0.000 1.080 393 A CA -1.048 50.964 52.037 -0.042 0.000 0.779 393 A CB -0.435 18.520 19.000 -0.075 0.000 1.026 393 A HN 0.447 nan 8.150 nan 0.000 0.499 394 P HA 0.356 nan 4.420 nan 0.000 0.281 394 P C -0.720 176.555 177.300 -0.042 0.000 1.249 394 P CA -0.321 62.762 63.100 -0.029 0.000 0.810 394 P CB 1.461 33.148 31.700 -0.022 0.000 1.008 395 S N 1.627 117.330 115.700 0.004 0.000 2.707 395 S HA 0.453 4.923 4.470 -0.001 0.000 0.303 395 S C -2.159 172.468 174.600 0.046 0.000 1.132 395 S CA -1.727 56.508 58.200 0.059 0.000 1.046 395 S CB 1.292 64.587 63.200 0.158 0.000 1.004 395 S HN 0.250 nan 8.310 nan 0.000 0.483 396 P HA 0.116 nan 4.420 nan 0.000 0.245 396 P C -0.546 176.588 177.300 -0.276 0.000 1.212 396 P CA 0.128 63.122 63.100 -0.177 0.000 0.774 396 P CB -0.234 31.303 31.700 -0.273 0.000 0.999 397 Y N 0.020 120.188 120.300 -0.219 0.000 2.387 397 Y HA 0.490 5.040 4.550 -0.001 0.000 0.330 397 Y C 0.780 176.440 175.900 -0.400 0.000 1.133 397 Y CA -0.549 57.234 58.100 -0.530 0.000 1.152 397 Y CB 1.361 39.233 38.460 -0.981 0.000 1.215 397 Y HN -0.264 nan 8.280 nan 0.000 0.466 398 L N 3.105 124.171 121.223 -0.263 0.000 2.401 398 L HA 0.579 4.918 4.340 -0.001 0.000 0.266 398 L C -0.655 176.245 176.870 0.049 0.000 0.991 398 L CA -0.956 53.858 54.840 -0.043 0.000 0.818 398 L CB 2.376 44.406 42.059 -0.047 0.000 1.321 398 L HN 0.492 nan 8.230 nan 0.000 0.413 399 R N 2.256 122.911 120.500 0.259 0.000 2.338 399 R HA 0.816 5.155 4.340 -0.001 0.000 0.317 399 R C -1.187 175.262 176.300 0.248 0.000 0.968 399 R CA -0.365 55.934 56.100 0.332 0.000 0.849 399 R CB 1.679 32.088 30.300 0.182 0.000 1.128 399 R HN 0.728 nan 8.270 nan 0.000 0.448 400 A N 3.106 126.107 122.820 0.303 0.000 2.331 400 A HA 0.459 4.778 4.320 -0.001 0.000 0.320 400 A C -0.766 177.072 177.584 0.424 0.000 1.138 400 A CA -0.666 51.545 52.037 0.291 0.000 0.790 400 A CB 1.645 20.796 19.000 0.251 0.000 1.206 400 A HN 0.733 nan 8.150 nan 0.000 0.470 401 S N 1.342 117.267 115.700 0.375 0.000 2.523 401 S HA 0.435 4.905 4.470 -0.001 0.000 0.275 401 S C -0.067 174.671 174.600 0.231 0.000 1.281 401 S CA -0.212 58.153 58.200 0.275 0.000 1.050 401 S CB -0.017 63.337 63.200 0.256 0.000 0.937 401 S HN 0.814 nan 8.310 nan 0.000 0.492 402 F N -0.032 119.985 119.950 0.111 0.000 2.735 402 F HA 0.339 4.865 4.527 -0.001 0.000 0.304 402 F C 1.565 177.391 175.800 0.042 0.000 1.119 402 F CA -0.674 57.363 58.000 0.062 0.000 1.280 402 F CB -0.781 38.230 39.000 0.019 0.000 0.994 402 F HN 0.538 nan 8.300 nan 0.000 0.520 403 S N 0.162 115.850 115.700 -0.020 0.000 2.419 403 S HA -0.139 4.331 4.470 -0.001 0.000 0.233 403 S C 1.345 176.023 174.600 0.129 0.000 1.016 403 S CA 1.540 59.792 58.200 0.086 0.000 0.974 403 S CB -0.601 62.681 63.200 0.137 0.000 0.786 403 S HN 0.522 nan 8.310 nan 0.000 0.492 404 S N -0.017 115.763 115.700 0.133 0.000 2.699 404 S HA 0.572 5.042 4.470 -0.001 0.000 0.277 404 S C 0.609 175.284 174.600 0.125 0.000 1.062 404 S CA 0.015 58.304 58.200 0.148 0.000 1.116 404 S CB -0.564 62.705 63.200 0.116 0.000 0.977 404 S HN 0.776 nan 8.310 nan 0.000 0.498 405 A N 3.196 126.085 122.820 0.115 0.000 2.561 405 A HA 0.550 4.869 4.320 -0.001 0.000 0.234 405 A C 0.764 178.394 177.584 0.077 0.000 1.055 405 A CA 0.357 52.453 52.037 0.099 0.000 0.756 405 A CB -0.127 18.945 19.000 0.119 0.000 0.986 405 A HN 0.875 nan 8.150 nan 0.000 0.505 406 S N 2.276 118.013 115.700 0.062 0.000 2.669 406 S HA 0.491 4.961 4.470 -0.001 0.000 0.270 406 S C -1.873 172.740 174.600 0.023 0.000 1.225 406 S CA -0.874 57.349 58.200 0.039 0.000 0.991 406 S CB 0.652 63.876 63.200 0.041 0.000 0.987 406 S HN 0.440 nan 8.310 nan 0.000 0.552 407 P HA -0.197 nan 4.420 nan 0.000 0.214 407 P C 1.654 178.965 177.300 0.018 0.000 1.163 407 P CA 1.596 64.686 63.100 -0.016 0.000 0.889 407 P CB -0.145 31.537 31.700 -0.030 0.000 0.790 408 E N 0.557 120.774 120.200 0.028 0.000 2.058 408 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 408 E C 2.021 178.653 176.600 0.054 0.000 0.997 408 E CA 1.444 57.871 56.400 0.045 0.000 0.801 408 E CB -1.267 28.455 29.700 0.036 0.000 0.746 408 E HN 0.382 nan 8.360 nan 0.000 0.450 409 Q N 0.209 120.041 119.800 0.053 0.000 2.084 409 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 409 Q C 2.454 178.513 176.000 0.098 0.000 0.978 409 Q CA 2.014 57.855 55.803 0.063 0.000 0.844 409 Q CB -0.238 28.538 28.738 0.063 0.000 0.898 409 Q HN 0.333 nan 8.270 nan 0.000 0.426 410 M N 0.154 119.824 119.600 0.117 0.000 2.108 410 M HA -0.210 4.269 4.480 -0.001 0.000 0.261 410 M C 1.663 178.095 176.300 0.221 0.000 1.066 410 M CA 1.584 57.005 55.300 0.202 0.000 1.107 410 M CB -0.340 32.307 32.600 0.078 0.000 1.356 410 M HN 0.114 nan 8.290 nan 0.000 0.406 411 D N 0.280 120.762 120.400 0.136 0.000 2.106 411 D HA -0.154 4.486 4.640 -0.001 0.000 0.191 411 D C 1.811 178.150 176.300 0.064 0.000 0.997 411 D CA 1.542 55.665 54.000 0.204 0.000 0.834 411 D CB 0.069 40.999 40.800 0.218 0.000 0.956 411 D HN 0.100 nan 8.370 nan 0.000 0.448 412 V N 0.745 120.667 119.914 0.013 0.000 2.295 412 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 412 V C 2.556 178.575 176.094 -0.126 0.000 1.049 412 V CA 1.860 64.104 62.300 -0.094 0.000 1.024 412 V CB -1.096 30.699 31.823 -0.047 0.000 0.648 412 V HN 0.340 nan 8.190 nan 0.000 0.447 413 A N -0.393 122.415 122.820 -0.019 0.000 1.892 413 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 413 A C 2.047 179.552 177.584 -0.132 0.000 1.188 413 A CA 2.183 54.188 52.037 -0.054 0.000 0.631 413 A CB -0.771 18.234 19.000 0.009 0.000 0.822 413 A HN 0.483 nan 8.150 nan 0.000 0.447 414 F N -0.290 119.561 119.950 -0.164 0.000 2.367 414 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 414 F C 2.624 178.198 175.800 -0.375 0.000 1.094 414 F CA 1.398 59.310 58.000 -0.147 0.000 1.409 414 F CB -0.118 38.888 39.000 0.010 0.000 1.064 414 F HN 0.351 nan 8.300 nan 0.000 0.528 415 Q N 0.729 120.094 119.800 -0.724 0.000 2.050 415 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 415 Q C 2.221 177.862 176.000 -0.599 0.000 0.980 415 Q CA 2.038 57.004 55.803 -1.395 0.000 0.840 415 Q CB -0.515 27.024 28.738 -1.998 0.000 0.898 415 Q HN 0.301 nan 8.270 nan 0.000 0.424 416 V N 1.978 121.659 119.914 -0.387 0.000 2.343 416 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 416 V C 2.599 178.590 176.094 -0.171 0.000 1.051 416 V CA 1.500 63.663 62.300 -0.229 0.000 1.036 416 V CB -0.703 31.018 31.823 -0.171 0.000 0.654 416 V HN 0.411 nan 8.190 nan 0.000 0.451 417 L N 0.100 121.212 121.223 -0.185 0.000 2.012 417 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 417 L C 2.634 179.451 176.870 -0.087 0.000 1.073 417 L CA 2.201 56.946 54.840 -0.158 0.000 0.748 417 L CB -0.662 41.245 42.059 -0.253 0.000 0.891 417 L HN 0.383 nan 8.230 nan 0.000 0.431 418 A N -0.484 122.308 122.820 -0.046 0.000 1.865 418 A HA -0.282 4.038 4.320 -0.001 0.000 0.217 418 A C 1.992 179.588 177.584 0.020 0.000 1.191 418 A CA 1.770 53.834 52.037 0.045 0.000 0.623 418 A CB -0.589 18.521 19.000 0.183 0.000 0.826 418 A HN 0.588 nan 8.150 nan 0.000 0.444 419 Q N 0.177 119.966 119.800 -0.019 0.000 2.112 419 Q HA -0.159 4.181 4.340 -0.001 0.000 0.206 419 Q C 2.076 178.064 176.000 -0.020 0.000 0.987 419 Q CA 1.606 57.399 55.803 -0.016 0.000 0.858 419 Q CB -0.921 27.790 28.738 -0.045 0.000 0.905 419 Q HN 0.733 nan 8.270 nan 0.000 0.420 420 L N -0.315 120.885 121.223 -0.038 0.000 2.141 420 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 420 L C 2.364 179.218 176.870 -0.026 0.000 1.094 420 L CA 0.674 55.492 54.840 -0.036 0.000 0.763 420 L CB -0.447 41.582 42.059 -0.051 0.000 0.908 420 L HN 0.131 nan 8.230 nan 0.000 0.437 421 I N -0.131 120.427 120.570 -0.020 0.000 2.142 421 I HA -0.293 3.877 4.170 -0.001 0.000 0.240 421 I C 2.558 178.675 176.117 -0.000 0.000 1.078 421 I CA 1.499 62.793 61.300 -0.011 0.000 1.343 421 I CB -0.224 37.775 38.000 -0.002 0.000 1.046 421 I HN 0.173 nan 8.210 nan 0.000 0.405 422 K N 0.470 120.877 120.400 0.012 0.000 2.025 422 K HA -0.210 4.110 4.320 -0.001 0.000 0.207 422 K C 2.027 178.630 176.600 0.006 0.000 1.049 422 K CA 1.457 57.753 56.287 0.016 0.000 0.933 422 K CB -0.257 32.261 32.500 0.030 0.000 0.714 422 K HN 0.217 nan 8.250 nan 0.000 0.438 423 E N 0.417 120.617 120.200 0.001 0.000 2.273 423 E HA -0.146 4.204 4.350 -0.001 0.000 0.198 423 E C 1.135 177.730 176.600 -0.007 0.000 1.002 423 E CA 1.142 57.539 56.400 -0.004 0.000 0.828 423 E CB 0.156 29.850 29.700 -0.010 0.000 0.747 423 E HN 0.144 nan 8.360 nan 0.000 0.491 424 S N -0.692 115.003 115.700 -0.009 0.000 2.523 424 S HA 0.192 4.662 4.470 -0.001 0.000 0.217 424 S C 0.586 175.179 174.600 -0.011 0.000 0.996 424 S CA -0.334 57.858 58.200 -0.012 0.000 0.921 424 S CB 0.555 63.744 63.200 -0.017 0.000 0.829 424 S HN 0.083 nan 8.310 nan 0.000 0.495 425 L N 0.000 121.219 121.223 -0.007 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 425 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 425 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502