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 1qnp_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSFVTISGT QFNIDGKVGY FAGTNCYWCS FLTNHADVDS TFSHISSSGL DATA SEQUENCE KVVRVWGFND VNTQPSPGQI WFQKLSATGS TINTGADGLQ TLDYVVQSAE DATA SEQUENCE QHNLKLIIPF VNNWSDYGGI NAYVNAFGGN ATTWYTNTAA QTQYRKYVQA DATA SEQUENCE VVSRYANSTA IFAWELGNEP RCNGCSTDVI VQWATSVSQY VKSLDSNHLV DATA SEQUENCE TLGDEGLGLS TGDGAYPYTY GEGTDFAKNV QIKSLDFGTF HLYPDSWGTN DATA SEQUENCE YTWGNGWIQT HAAAcLAAGK PcVFEEYGAQ QNPcTNEAPW QTTSLTTRGM DATA SEQUENCE GGDMFWQWGD TFANGAQSNS DPYTVWYNSS NWQcLVKNHV DAIN 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 A HA 0.000 4.320 4.320 0.000 0.000 0.244 1 A C 0.000 177.539 177.584 -0.075 0.000 1.274 1 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 2 S N -0.220 115.422 115.700 -0.097 0.000 2.750 2 S HA 0.743 5.211 4.470 -0.003 0.000 0.276 2 S C -0.722 173.771 174.600 -0.177 0.000 1.165 2 S CA 0.322 58.447 58.200 -0.126 0.000 1.047 2 S CB 0.683 63.805 63.200 -0.130 0.000 1.056 2 S HN 1.422 9.732 8.310 0.000 0.000 0.481 3 S N 2.673 118.266 115.700 -0.179 0.000 2.806 3 S HA 0.716 5.184 4.470 -0.003 0.000 0.306 3 S C -1.225 173.225 174.600 -0.251 0.000 1.167 3 S CA -0.745 57.308 58.200 -0.245 0.000 0.847 3 S CB 0.341 63.466 63.200 -0.125 0.000 1.216 3 S HN 0.543 8.853 8.310 0.000 0.000 0.532 4 F N 1.446 121.358 119.950 -0.062 0.000 2.389 4 F HA 0.353 4.878 4.527 -0.003 0.000 0.337 4 F C 0.463 176.213 175.800 -0.084 0.000 1.112 4 F CA -0.835 57.122 58.000 -0.071 0.000 1.192 4 F CB 0.324 39.246 39.000 -0.131 0.000 1.185 4 F HN 0.117 8.417 8.300 0.000 0.000 0.552 5 V N 2.477 122.451 119.914 0.100 0.000 2.521 5 V HA 0.271 4.390 4.120 -0.003 0.000 0.286 5 V C 0.343 176.400 176.094 -0.061 0.000 1.034 5 V CA -0.061 62.182 62.300 -0.095 0.000 1.045 5 V CB 0.200 31.780 31.823 -0.405 0.000 0.974 5 V HN 0.953 9.143 8.190 0.000 0.000 0.480 6 T N 2.926 117.466 114.554 -0.023 0.000 2.858 6 T HA 0.769 5.118 4.350 -0.003 0.000 0.285 6 T C -0.633 174.078 174.700 0.018 0.000 1.052 6 T CA -0.846 61.258 62.100 0.007 0.000 1.009 6 T CB 1.783 70.661 68.868 0.016 0.000 1.241 6 T HN 0.257 8.497 8.240 0.000 0.000 0.542 7 I N 1.332 121.892 120.570 -0.016 0.000 2.404 7 I HA 0.482 4.651 4.170 -0.003 0.000 0.293 7 I C -0.352 175.724 176.117 -0.070 0.000 0.992 7 I CA -0.670 60.566 61.300 -0.107 0.000 1.149 7 I CB 2.052 39.965 38.000 -0.144 0.000 1.315 7 I HN 0.618 8.828 8.210 0.000 0.000 0.446 8 S N 4.046 119.700 115.700 -0.078 0.000 2.659 8 S HA 0.708 5.176 4.470 -0.003 0.000 0.312 8 S C 0.444 175.014 174.600 -0.049 0.000 1.114 8 S CA -0.045 58.131 58.200 -0.040 0.000 1.063 8 S CB 1.638 64.830 63.200 -0.013 0.000 0.996 8 S HN 1.117 9.427 8.310 0.000 0.000 0.478 9 G N 3.004 111.782 108.800 -0.037 0.000 2.556 9 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.283 9 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.283 9 G C 0.444 175.310 174.900 -0.057 0.000 1.177 9 G CA 0.464 45.545 45.100 -0.031 0.000 0.978 9 G HN 1.332 9.622 8.290 0.000 0.000 0.554 10 T N -1.582 112.940 114.554 -0.052 0.000 3.275 10 T HA 0.636 4.984 4.350 -0.003 0.000 0.265 10 T C 0.298 174.920 174.700 -0.130 0.000 0.978 10 T CA 0.545 62.597 62.100 -0.080 0.000 0.923 10 T CB 0.365 69.224 68.868 -0.015 0.000 1.126 10 T HN 0.747 8.987 8.240 0.000 0.000 0.538 11 Q N 0.118 119.815 119.800 -0.172 0.000 2.496 11 Q HA 0.628 4.966 4.340 -0.003 0.000 0.286 11 Q C -1.304 174.500 176.000 -0.327 0.000 1.103 11 Q CA -1.075 54.631 55.803 -0.162 0.000 0.813 11 Q CB 1.745 30.497 28.738 0.023 0.000 1.444 11 Q HN 0.354 8.624 8.270 0.000 0.000 0.443 12 F N 0.970 120.969 119.950 0.082 0.000 2.397 12 F HA 0.284 4.810 4.527 -0.002 0.000 0.331 12 F C 0.584 176.394 175.800 0.017 0.000 1.090 12 F CA -0.735 57.278 58.000 0.023 0.000 1.065 12 F CB 0.824 39.860 39.000 0.060 0.000 1.184 12 F HN 0.326 8.626 8.300 0.000 0.000 0.499 13 N N 3.747 122.529 118.700 0.138 0.000 2.501 13 N HA 0.360 5.098 4.740 -0.003 0.000 0.245 13 N C -1.347 174.186 175.510 0.039 0.000 0.974 13 N CA -0.167 52.926 53.050 0.072 0.000 0.941 13 N CB 0.344 38.851 38.487 0.032 0.000 1.122 13 N HN 0.553 8.933 8.380 0.000 0.000 0.507 14 I N 2.461 123.053 120.570 0.036 0.000 2.355 14 I HA 0.167 4.335 4.170 -0.003 0.000 0.288 14 I C -0.131 175.974 176.117 -0.020 0.000 0.999 14 I CA -0.605 60.686 61.300 -0.015 0.000 1.163 14 I CB 1.086 39.075 38.000 -0.019 0.000 1.316 14 I HN 0.366 8.576 8.210 0.000 0.000 0.454 15 D N 5.457 125.832 120.400 -0.041 0.000 2.751 15 D HA -0.206 4.432 4.640 -0.003 0.000 0.233 15 D C 1.157 177.440 176.300 -0.027 0.000 1.149 15 D CA 1.685 55.657 54.000 -0.046 0.000 0.682 15 D CB -0.944 39.823 40.800 -0.054 0.000 1.068 15 D HN 1.137 9.507 8.370 0.000 0.000 0.429 16 G N -1.386 107.405 108.800 -0.015 0.000 2.199 16 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.254 16 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.254 16 G C 0.178 175.084 174.900 0.009 0.000 0.982 16 G CA 0.443 45.540 45.100 -0.005 0.000 0.632 16 G HN 0.301 8.591 8.290 0.000 0.000 0.529 17 K N 0.870 121.281 120.400 0.019 0.000 2.240 17 K HA 0.633 4.951 4.320 -0.003 0.000 0.271 17 K C -0.025 176.611 176.600 0.060 0.000 1.018 17 K CA -0.616 55.692 56.287 0.036 0.000 0.874 17 K CB 2.077 34.598 32.500 0.036 0.000 1.098 17 K HN 0.138 8.388 8.250 0.000 0.000 0.458 18 V N 2.269 122.220 119.914 0.062 0.000 2.364 18 V HA 0.749 4.868 4.120 -0.003 0.000 0.272 18 V C 0.621 176.777 176.094 0.103 0.000 1.036 18 V CA -0.294 62.053 62.300 0.079 0.000 0.880 18 V CB 0.959 32.813 31.823 0.051 0.000 0.991 18 V HN 0.938 9.128 8.190 0.000 0.000 0.460 19 G N 3.391 112.284 108.800 0.154 0.000 2.316 19 G HA2 0.278 4.236 3.960 -0.003 0.000 0.296 19 G HA3 0.278 4.236 3.960 -0.003 0.000 0.296 19 G C -1.651 173.414 174.900 0.275 0.000 1.399 19 G CA -0.856 44.354 45.100 0.184 0.000 0.833 19 G HN 0.461 8.751 8.290 0.000 0.000 0.565 20 Y N 0.392 120.773 120.300 0.136 0.000 2.578 20 Y HA 0.468 5.016 4.550 -0.003 0.000 0.339 20 Y C 0.439 176.431 175.900 0.153 0.000 1.231 20 Y CA 0.586 58.759 58.100 0.122 0.000 1.461 20 Y CB 0.404 38.889 38.460 0.041 0.000 1.323 20 Y HN 0.631 8.911 8.280 0.000 0.000 0.590 21 F N 2.630 122.420 119.950 -0.268 0.000 2.593 21 F HA 0.905 5.430 4.527 -0.003 0.000 0.320 21 F C -1.257 174.430 175.800 -0.187 0.000 1.060 21 F CA -1.408 56.508 58.000 -0.139 0.000 0.940 21 F CB 0.969 39.878 39.000 -0.152 0.000 1.268 21 F HN 0.548 8.848 8.300 0.000 0.000 0.475 22 A N 1.246 124.129 122.820 0.106 0.000 2.337 22 A HA 0.928 5.247 4.320 -0.003 0.000 0.329 22 A C -0.207 177.514 177.584 0.228 0.000 1.146 22 A CA -0.119 51.991 52.037 0.122 0.000 0.800 22 A CB 0.826 19.922 19.000 0.159 0.000 1.220 22 A HN 1.532 9.682 8.150 0.000 0.000 0.472 23 G N -0.829 108.065 108.800 0.157 0.000 3.021 23 G HA2 0.711 4.669 3.960 -0.003 0.000 0.290 23 G HA3 0.711 4.669 3.960 -0.003 0.000 0.290 23 G C -0.748 174.030 174.900 -0.203 0.000 1.291 23 G CA 0.162 45.249 45.100 -0.022 0.000 0.834 23 G HN 1.126 9.416 8.290 0.000 0.000 0.564 24 T N -0.694 113.602 114.554 -0.430 0.000 2.821 24 T HA 0.462 4.810 4.350 -0.003 0.000 0.306 24 T C -1.518 172.805 174.700 -0.628 0.000 1.313 24 T CA -0.758 60.882 62.100 -0.766 0.000 1.012 24 T CB 1.520 69.874 68.868 -0.856 0.000 1.298 24 T HN 0.393 8.633 8.240 0.000 0.000 0.502 25 N N 1.213 119.501 118.700 -0.686 0.000 2.479 25 N HA 0.422 5.161 4.740 -0.003 0.000 0.285 25 N C -1.006 174.056 175.510 -0.748 0.000 1.075 25 N CA -0.163 52.528 53.050 -0.600 0.000 0.967 25 N CB 1.490 39.663 38.487 -0.524 0.000 1.137 25 N HN 0.543 8.923 8.380 0.000 0.000 0.472 26 C N 4.963 123.776 119.300 -0.812 0.000 3.498 26 C HA 0.194 4.653 4.460 -0.003 0.000 0.218 26 C C 1.379 175.624 174.990 -1.242 0.000 1.284 26 C CA -0.806 57.513 59.018 -1.166 0.000 1.343 26 C CB -1.818 25.263 27.740 -1.098 0.000 1.825 26 C HN 0.892 9.122 8.230 0.000 0.000 0.518 27 Y N 1.638 121.210 120.300 -1.214 0.000 2.207 27 Y HA -0.082 4.466 4.550 -0.003 0.000 0.287 27 Y C 1.958 177.216 175.900 -1.070 0.000 1.156 27 Y CA 1.971 59.256 58.100 -1.359 0.000 1.182 27 Y CB -0.688 36.557 38.460 -2.024 0.000 0.979 27 Y HN 0.704 8.984 8.280 0.000 0.000 0.521 28 W N -0.609 119.818 121.300 -1.455 0.000 2.699 28 W HA 0.024 4.683 4.660 -0.001 0.000 0.249 28 W C 1.520 177.673 176.519 -0.609 0.000 1.280 28 W CA 0.270 56.988 57.345 -1.045 0.000 1.345 28 W CB -1.439 27.440 29.460 -0.969 0.000 1.128 28 W HN 0.170 8.350 8.180 0.000 0.000 0.642 29 C N 1.597 120.347 119.300 -0.917 0.000 2.413 29 C HA -0.211 4.247 4.460 -0.003 0.000 0.277 29 C C 2.914 177.666 174.990 -0.398 0.000 1.265 29 C CA 2.052 60.700 59.018 -0.617 0.000 1.752 29 C CB -1.349 25.963 27.740 -0.713 0.000 1.998 29 C HN 0.397 8.627 8.230 0.000 0.000 0.489 30 S N 0.334 115.715 115.700 -0.531 0.000 2.469 30 S HA -0.059 4.410 4.470 -0.003 0.000 0.238 30 S C 0.885 175.455 174.600 -0.051 0.000 0.998 30 S CA 1.166 59.167 58.200 -0.331 0.000 0.957 30 S CB -0.278 62.634 63.200 -0.480 0.000 0.764 30 S HN 0.644 8.954 8.310 0.000 0.000 0.514 31 F N 0.738 120.716 119.950 0.046 0.000 2.653 31 F HA 0.433 4.958 4.527 -0.003 0.000 0.304 31 F C 0.317 176.159 175.800 0.070 0.000 1.092 31 F CA -1.243 56.797 58.000 0.066 0.000 1.279 31 F CB -0.688 38.326 39.000 0.023 0.000 1.044 31 F HN -0.012 8.288 8.300 0.000 0.000 0.564 32 L N 1.229 122.550 121.223 0.163 0.000 2.455 32 L HA 0.101 4.439 4.340 -0.003 0.000 0.272 32 L C 1.646 178.543 176.870 0.046 0.000 1.174 32 L CA 0.123 54.995 54.840 0.052 0.000 0.869 32 L CB 0.815 42.841 42.059 -0.056 0.000 1.130 32 L HN 0.223 8.453 8.230 0.000 0.000 0.474 33 T N -1.833 112.724 114.554 0.004 0.000 3.057 33 T HA 0.008 4.357 4.350 -0.003 0.000 0.254 33 T C 0.790 175.427 174.700 -0.105 0.000 1.094 33 T CA -0.211 61.884 62.100 -0.009 0.000 1.088 33 T CB -0.075 68.792 68.868 -0.001 0.000 0.934 33 T HN 0.414 8.654 8.240 0.000 0.000 0.497 34 N N 1.185 119.796 118.700 -0.148 0.000 2.414 34 N HA 0.187 4.925 4.740 -0.003 0.000 0.256 34 N C 0.655 176.068 175.510 -0.162 0.000 1.029 34 N CA -0.258 52.671 53.050 -0.202 0.000 0.948 34 N CB 0.609 38.982 38.487 -0.190 0.000 1.102 34 N HN 0.387 8.767 8.380 0.000 0.000 0.496 35 H N 2.222 121.077 119.070 -0.358 0.000 2.390 35 H HA -0.152 4.402 4.556 -0.003 0.000 0.298 35 H C 1.471 176.675 175.328 -0.206 0.000 1.106 35 H CA 1.377 57.103 56.048 -0.538 0.000 1.297 35 H CB 0.444 29.679 29.762 -0.878 0.000 1.375 35 H HN 0.718 8.998 8.280 0.000 0.000 0.509 36 A N 0.958 123.765 122.820 -0.022 0.000 2.019 36 A HA -0.179 4.140 4.320 -0.003 0.000 0.219 36 A C 1.655 179.231 177.584 -0.015 0.000 1.164 36 A CA 1.823 53.865 52.037 0.007 0.000 0.644 36 A CB -0.083 18.916 19.000 -0.001 0.000 0.805 36 A HN 0.344 8.494 8.150 0.000 0.000 0.449 37 D N -0.536 119.794 120.400 -0.116 0.000 2.234 37 D HA -0.025 4.614 4.640 -0.003 0.000 0.205 37 D C 1.987 178.216 176.300 -0.118 0.000 0.962 37 D CA 0.986 54.865 54.000 -0.203 0.000 0.855 37 D CB -0.233 40.108 40.800 -0.766 0.000 0.951 37 D HN 0.248 8.618 8.370 0.000 0.000 0.500 38 V N 1.623 121.457 119.914 -0.133 0.000 2.358 38 V HA -0.183 3.935 4.120 -0.003 0.000 0.246 38 V C 1.840 177.784 176.094 -0.250 0.000 1.047 38 V CA 1.562 63.702 62.300 -0.267 0.000 1.035 38 V CB -0.320 31.396 31.823 -0.179 0.000 0.658 38 V HN 0.044 8.234 8.190 0.000 0.000 0.452 39 D N 0.642 121.029 120.400 -0.022 0.000 2.097 39 D HA -0.137 4.502 4.640 -0.003 0.000 0.195 39 D C 2.455 178.709 176.300 -0.076 0.000 0.989 39 D CA 1.912 55.940 54.000 0.047 0.000 0.827 39 D CB -0.364 40.522 40.800 0.144 0.000 0.966 39 D HN 0.593 8.963 8.370 0.000 0.000 0.456 40 S N -0.279 115.366 115.700 -0.091 0.000 2.383 40 S HA -0.111 4.357 4.470 -0.003 0.000 0.227 40 S C 2.068 176.328 174.600 -0.567 0.000 1.026 40 S CA 1.416 59.450 58.200 -0.275 0.000 0.981 40 S CB -0.725 62.430 63.200 -0.075 0.000 0.818 40 S HN 0.116 8.426 8.310 0.000 0.000 0.472 41 T N 1.844 116.283 114.554 -0.192 0.000 2.777 41 T HA 0.077 4.426 4.350 -0.003 0.000 0.266 41 T C 1.303 175.906 174.700 -0.162 0.000 1.040 41 T CA 1.179 63.249 62.100 -0.051 0.000 1.141 41 T CB -0.463 68.510 68.868 0.175 0.000 0.868 41 T HN 0.342 8.582 8.240 0.000 0.000 0.444 42 F N 1.413 121.054 119.950 -0.515 0.000 2.234 42 F HA 0.068 4.593 4.527 -0.003 0.000 0.299 42 F C 2.814 178.104 175.800 -0.850 0.000 1.087 42 F CA -0.028 57.535 58.000 -0.727 0.000 1.340 42 F CB -1.253 37.288 39.000 -0.764 0.000 1.031 42 F HN 0.125 8.425 8.300 0.000 0.000 0.500 43 S N -0.803 114.564 115.700 -0.555 0.000 2.368 43 S HA -0.212 4.257 4.470 -0.003 0.000 0.225 43 S C 1.957 176.492 174.600 -0.109 0.000 1.030 43 S CA 1.572 59.623 58.200 -0.248 0.000 0.999 43 S CB -0.451 62.709 63.200 -0.066 0.000 0.844 43 S HN 0.550 8.860 8.310 0.000 0.000 0.459 44 H N 0.022 118.966 119.070 -0.210 0.000 2.357 44 H HA 0.074 4.628 4.556 -0.003 0.000 0.301 44 H C 2.160 177.397 175.328 -0.152 0.000 1.082 44 H CA 1.445 57.301 56.048 -0.320 0.000 1.342 44 H CB -0.059 29.245 29.762 -0.763 0.000 1.389 44 H HN 0.351 8.632 8.280 0.000 0.000 0.511 45 I N -0.094 120.294 120.570 -0.304 0.000 2.179 45 I HA -0.280 3.888 4.170 -0.003 0.000 0.242 45 I C 2.723 178.696 176.117 -0.241 0.000 1.088 45 I CA 0.996 61.956 61.300 -0.567 0.000 1.357 45 I CB -0.223 37.184 38.000 -0.989 0.000 1.051 45 I HN 0.205 8.415 8.210 0.000 0.000 0.409 46 S N 0.569 116.133 115.700 -0.227 0.000 2.356 46 S HA -0.191 4.278 4.470 -0.003 0.000 0.223 46 S C 2.251 176.871 174.600 0.033 0.000 1.032 46 S CA 1.948 60.084 58.200 -0.106 0.000 1.005 46 S CB -0.344 62.811 63.200 -0.075 0.000 0.867 46 S HN 0.588 8.898 8.310 0.000 0.000 0.449 47 S N 0.361 116.122 115.700 0.102 0.000 2.447 47 S HA 0.030 4.499 4.470 -0.003 0.000 0.233 47 S C 1.792 176.555 174.600 0.272 0.000 1.006 47 S CA 1.230 59.540 58.200 0.183 0.000 0.957 47 S CB -0.582 62.746 63.200 0.215 0.000 0.773 47 S HN 0.440 8.750 8.310 0.000 0.000 0.507 48 S N 0.677 116.591 115.700 0.356 0.000 2.522 48 S HA 0.356 4.825 4.470 -0.003 0.000 0.227 48 S C 1.575 176.319 174.600 0.241 0.000 0.986 48 S CA 0.584 59.067 58.200 0.471 0.000 0.929 48 S CB -0.351 63.301 63.200 0.753 0.000 0.769 48 S HN 1.125 9.435 8.310 0.000 0.000 0.529 49 G N 0.789 109.674 108.800 0.141 0.000 2.175 49 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.244 49 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.244 49 G C 0.015 174.941 174.900 0.045 0.000 0.982 49 G CA -0.236 44.910 45.100 0.077 0.000 0.641 49 G HN 0.427 8.717 8.290 0.000 0.000 0.527 50 L N -0.226 121.014 121.223 0.028 0.000 2.417 50 L HA 0.455 4.793 4.340 -0.003 0.000 0.268 50 L C 1.566 178.366 176.870 -0.116 0.000 1.158 50 L CA -0.128 54.699 54.840 -0.022 0.000 0.819 50 L CB 1.011 43.029 42.059 -0.068 0.000 1.112 50 L HN 0.062 8.292 8.230 0.000 0.000 0.458 51 K N 0.999 121.329 120.400 -0.116 0.000 2.391 51 K HA 0.274 4.592 4.320 -0.003 0.000 0.197 51 K C -0.697 175.690 176.600 -0.354 0.000 1.087 51 K CA 0.138 56.306 56.287 -0.198 0.000 1.012 51 K CB 1.149 33.573 32.500 -0.128 0.000 0.925 51 K HN 0.323 8.573 8.250 0.000 0.000 0.547 52 V N 1.611 121.275 119.914 -0.416 0.000 2.760 52 V HA 0.351 4.470 4.120 -0.003 0.000 0.309 52 V C -0.819 174.962 176.094 -0.523 0.000 1.077 52 V CA -0.980 60.969 62.300 -0.584 0.000 0.910 52 V CB 2.291 33.517 31.823 -0.995 0.000 1.008 52 V HN -0.257 7.933 8.190 0.000 0.000 0.424 53 V N 3.895 123.481 119.914 -0.547 0.000 2.656 53 V HA 0.576 4.695 4.120 -0.003 0.000 0.307 53 V C -0.181 175.670 176.094 -0.404 0.000 1.051 53 V CA -0.838 61.142 62.300 -0.532 0.000 0.893 53 V CB 2.047 33.467 31.823 -0.671 0.000 0.999 53 V HN 0.882 9.072 8.190 0.000 0.000 0.426 54 R N 3.342 123.635 120.500 -0.345 0.000 2.255 54 R HA 0.745 5.083 4.340 -0.003 0.000 0.326 54 R C -0.905 175.271 176.300 -0.206 0.000 0.986 54 R CA -0.326 55.667 56.100 -0.178 0.000 0.847 54 R CB 1.472 31.737 30.300 -0.058 0.000 1.111 54 R HN 0.727 8.996 8.270 0.000 0.000 0.452 55 V N 0.965 120.823 119.914 -0.094 0.000 2.914 55 V HA 0.589 4.707 4.120 -0.003 0.000 0.314 55 V C -0.553 175.643 176.094 0.171 0.000 1.084 55 V CA -1.391 60.813 62.300 -0.160 0.000 0.963 55 V CB 1.415 33.113 31.823 -0.209 0.000 1.025 55 V HN 0.787 8.977 8.190 0.000 0.000 0.432 56 W N 1.650 122.781 121.300 -0.282 0.000 2.210 56 W HA 0.514 5.171 4.660 -0.006 0.000 0.330 56 W C 1.237 177.678 176.519 -0.130 0.000 1.334 56 W CA -0.332 56.785 57.345 -0.380 0.000 1.227 56 W CB 1.293 30.282 29.460 -0.785 0.000 1.178 56 W HN 0.935 9.115 8.180 0.000 0.000 0.560 57 G N 2.926 111.894 108.800 0.280 0.000 3.434 57 G HA2 0.203 4.162 3.960 -0.003 0.000 0.258 57 G HA3 0.203 4.162 3.960 -0.003 0.000 0.258 57 G C -0.710 174.720 174.900 0.883 0.000 1.128 57 G CA -0.200 45.226 45.100 0.544 0.000 0.792 57 G HN 0.404 8.694 8.290 0.000 0.000 0.539 58 F N -1.834 118.617 119.950 0.835 0.000 2.613 58 F HA 0.753 5.277 4.527 -0.005 0.000 0.314 58 F C -1.026 175.090 175.800 0.526 0.000 1.075 58 F CA -2.325 56.117 58.000 0.737 0.000 0.945 58 F CB 1.764 41.027 39.000 0.438 0.000 1.310 58 F HN -0.161 8.139 8.300 0.000 0.000 0.467 59 N N 1.502 120.492 118.700 0.482 0.000 3.151 59 N HA 0.116 4.854 4.740 -0.003 0.000 0.219 59 N C -2.334 173.311 175.510 0.225 0.000 1.434 59 N CA -0.211 52.921 53.050 0.137 0.000 0.767 59 N CB 0.750 38.836 38.487 -0.669 0.000 1.564 59 N HN 0.748 9.128 8.380 0.000 0.000 0.612 60 D N 1.373 121.935 120.400 0.269 0.000 2.198 60 D HA 0.442 5.081 4.640 -0.003 0.000 0.245 60 D C 0.394 176.746 176.300 0.088 0.000 1.079 60 D CA -0.140 53.945 54.000 0.143 0.000 0.854 60 D CB 2.502 43.344 40.800 0.071 0.000 1.148 60 D HN 0.281 8.651 8.370 0.000 0.000 0.456 61 V N 0.034 119.976 119.914 0.047 0.000 3.102 61 V HA 0.514 4.632 4.120 -0.003 0.000 0.312 61 V C 0.090 176.127 176.094 -0.095 0.000 1.135 61 V CA -0.787 61.496 62.300 -0.029 0.000 1.022 61 V CB 2.105 33.889 31.823 -0.065 0.000 1.056 61 V HN 0.386 8.576 8.190 0.000 0.000 0.436 62 N N 0.128 118.756 118.700 -0.120 0.000 2.407 62 N HA 0.168 4.907 4.740 -0.003 0.000 0.182 62 N C 0.294 175.709 175.510 -0.158 0.000 1.079 62 N CA 0.691 53.654 53.050 -0.144 0.000 0.882 62 N CB 0.612 39.019 38.487 -0.133 0.000 1.106 62 N HN 0.994 9.374 8.380 0.000 0.000 0.461 63 T N -1.807 112.646 114.554 -0.168 0.000 2.885 63 T HA 0.329 4.678 4.350 -0.003 0.000 0.285 63 T C -0.523 174.006 174.700 -0.286 0.000 1.019 63 T CA -0.918 61.070 62.100 -0.188 0.000 1.010 63 T CB 2.011 70.796 68.868 -0.139 0.000 1.022 63 T HN -0.134 8.106 8.240 0.000 0.000 0.466 64 Q N 2.518 122.109 119.800 -0.349 0.000 2.332 64 Q HA 0.271 4.610 4.340 -0.003 0.000 0.263 64 Q C -1.830 173.957 176.000 -0.356 0.000 0.979 64 Q CA -1.410 54.062 55.803 -0.551 0.000 0.885 64 Q CB 0.641 29.055 28.738 -0.540 0.000 1.218 64 Q HN 0.571 8.841 8.270 0.000 0.000 0.405 65 P HA 0.036 4.456 4.420 0.000 0.000 0.275 65 P C -0.609 176.638 177.300 -0.089 0.000 1.266 65 P CA -0.348 62.654 63.100 -0.162 0.000 0.793 65 P CB 0.510 32.164 31.700 -0.076 0.000 1.074 66 S N 1.203 116.883 115.700 -0.034 0.000 2.558 66 S HA 0.052 4.520 4.470 -0.003 0.000 0.293 66 S C -2.056 172.561 174.600 0.028 0.000 1.292 66 S CA -0.255 57.942 58.200 -0.005 0.000 1.063 66 S CB -1.258 61.948 63.200 0.010 0.000 0.831 66 S HN 0.372 8.682 8.310 0.000 0.000 0.499 67 P HA 0.113 4.533 4.420 0.000 0.000 0.258 67 P C 0.983 178.331 177.300 0.080 0.000 1.172 67 P CA 1.214 64.354 63.100 0.066 0.000 0.762 67 P CB -0.055 31.673 31.700 0.048 0.000 0.764 68 G N 1.691 110.560 108.800 0.115 0.000 2.232 68 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.226 68 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.226 68 G C 0.093 175.070 174.900 0.128 0.000 0.996 68 G CA -0.515 44.649 45.100 0.106 0.000 0.626 68 G HN 0.507 8.797 8.290 0.000 0.000 0.509 69 Q N 0.858 120.746 119.800 0.147 0.000 2.352 69 Q HA 0.410 4.748 4.340 -0.003 0.000 0.260 69 Q C 0.791 176.942 176.000 0.252 0.000 0.976 69 Q CA -0.164 55.734 55.803 0.158 0.000 0.881 69 Q CB 1.088 29.898 28.738 0.120 0.000 1.235 69 Q HN 0.385 8.655 8.270 0.000 0.000 0.419 70 I N 3.274 123.953 120.570 0.181 0.000 2.575 70 I HA 0.227 4.395 4.170 -0.003 0.000 0.285 70 I C 0.137 176.389 176.117 0.226 0.000 1.085 70 I CA 0.014 61.416 61.300 0.171 0.000 1.403 70 I CB -0.101 37.947 38.000 0.081 0.000 1.409 70 I HN 0.569 8.779 8.210 0.000 0.000 0.557 71 W N 6.022 127.349 121.300 0.045 0.000 3.479 71 W HA 0.343 5.002 4.660 -0.002 0.000 0.304 71 W C -1.713 174.987 176.519 0.300 0.000 1.243 71 W CA -0.848 56.513 57.345 0.026 0.000 1.202 71 W CB 0.457 29.946 29.460 0.048 0.000 1.346 71 W HN 0.221 8.401 8.180 0.000 0.000 0.539 72 F N 1.291 121.365 119.950 0.208 0.000 2.622 72 F HA 0.251 4.778 4.527 0.000 0.000 0.288 72 F C 0.773 176.677 175.800 0.172 0.000 1.120 72 F CA 0.145 58.224 58.000 0.132 0.000 1.423 72 F CB 0.199 39.406 39.000 0.345 0.000 1.127 72 F HN 0.410 8.710 8.300 0.000 0.000 0.588 73 Q N 0.413 120.498 119.800 0.474 0.000 2.320 73 Q HA 0.275 4.613 4.340 -0.003 0.000 0.272 73 Q C -1.272 174.980 176.000 0.420 0.000 1.023 73 Q CA -0.694 55.338 55.803 0.380 0.000 0.855 73 Q CB 2.475 31.228 28.738 0.025 0.000 1.367 73 Q HN 0.056 8.326 8.270 0.000 0.000 0.406 74 K N 4.910 125.556 120.400 0.411 0.000 2.265 74 K HA 0.450 4.769 4.320 -0.003 0.000 0.267 74 K C -1.364 175.257 176.600 0.034 0.000 0.994 74 K CA -0.452 55.907 56.287 0.119 0.000 0.860 74 K CB 0.734 33.208 32.500 -0.043 0.000 1.099 74 K HN 0.614 8.864 8.250 0.000 0.000 0.448 75 L N 3.094 124.264 121.223 -0.088 0.000 2.264 75 L HA 0.369 4.708 4.340 -0.003 0.000 0.289 75 L C -0.154 176.564 176.870 -0.252 0.000 1.044 75 L CA -0.458 54.273 54.840 -0.181 0.000 0.807 75 L CB 1.662 43.509 42.059 -0.354 0.000 1.192 75 L HN 0.633 8.863 8.230 0.000 0.000 0.425 76 S N 1.539 117.104 115.700 -0.225 0.000 2.541 76 S HA 0.602 5.071 4.470 -0.003 0.000 0.271 76 S C 0.608 175.093 174.600 -0.191 0.000 1.133 76 S CA 0.060 58.134 58.200 -0.210 0.000 0.876 76 S CB 1.912 65.063 63.200 -0.081 0.000 1.105 76 S HN 0.652 8.962 8.310 0.000 0.000 0.470 77 A N 2.058 124.773 122.820 -0.175 0.000 2.019 77 A HA 0.039 4.357 4.320 -0.003 0.000 0.219 77 A C 1.698 179.322 177.584 0.068 0.000 1.164 77 A CA 2.070 54.091 52.037 -0.027 0.000 0.644 77 A CB -1.024 17.958 19.000 -0.030 0.000 0.805 77 A HN 1.307 9.457 8.150 0.000 0.000 0.449 78 T N -3.900 110.672 114.554 0.031 0.000 3.214 78 T HA 0.493 4.841 4.350 -0.003 0.000 0.264 78 T C 0.458 175.195 174.700 0.062 0.000 1.012 78 T CA 0.434 62.563 62.100 0.047 0.000 0.901 78 T CB -0.131 68.751 68.868 0.022 0.000 1.070 78 T HN 1.698 9.938 8.240 0.000 0.000 0.561 79 G N 0.377 109.231 108.800 0.091 0.000 3.162 79 G HA2 0.240 4.199 3.960 -0.003 0.000 0.599 79 G HA3 0.240 4.199 3.960 -0.003 0.000 0.599 79 G C -0.706 174.256 174.900 0.104 0.000 1.335 79 G CA -0.875 44.287 45.100 0.103 0.000 1.091 79 G HN 0.354 8.644 8.290 0.000 0.000 0.570 80 S N 0.334 116.123 115.700 0.149 0.000 2.687 80 S HA 0.909 5.377 4.470 -0.003 0.000 0.283 80 S C 0.284 174.986 174.600 0.170 0.000 1.170 80 S CA -0.391 57.902 58.200 0.155 0.000 1.008 80 S CB 1.770 65.101 63.200 0.219 0.000 1.026 80 S HN 0.860 9.170 8.310 0.000 0.000 0.541 81 T N 1.789 116.471 114.554 0.214 0.000 2.881 81 T HA 0.508 4.856 4.350 -0.003 0.000 0.290 81 T C -0.596 174.297 174.700 0.322 0.000 1.000 81 T CA -0.367 61.892 62.100 0.265 0.000 0.978 81 T CB 0.649 69.721 68.868 0.339 0.000 0.997 81 T HN 0.399 8.639 8.240 0.000 0.000 0.443 82 I N 3.488 124.199 120.570 0.236 0.000 2.321 82 I HA 0.316 4.484 4.170 -0.003 0.000 0.291 82 I C 0.116 176.270 176.117 0.063 0.000 0.998 82 I CA -0.808 60.625 61.300 0.222 0.000 1.227 82 I CB 1.130 39.276 38.000 0.243 0.000 1.368 82 I HN 0.435 8.645 8.210 0.000 0.000 0.466 83 N N 4.434 123.059 118.700 -0.126 0.000 2.406 83 N HA 0.118 4.856 4.740 -0.003 0.000 0.251 83 N C 0.516 175.902 175.510 -0.207 0.000 1.069 83 N CA -0.186 52.623 53.050 -0.403 0.000 0.947 83 N CB 0.836 38.575 38.487 -1.248 0.000 1.111 83 N HN 0.657 9.037 8.380 0.000 0.000 0.497 84 T N -0.072 114.404 114.554 -0.129 0.000 3.214 84 T HA 0.372 4.720 4.350 -0.003 0.000 0.264 84 T C 0.881 175.542 174.700 -0.066 0.000 1.012 84 T CA -0.573 61.474 62.100 -0.088 0.000 0.901 84 T CB -0.158 68.674 68.868 -0.059 0.000 1.070 84 T HN 0.295 8.535 8.240 0.000 0.000 0.561 85 G N 0.396 109.145 108.800 -0.086 0.000 2.525 85 G HA2 0.555 4.513 3.960 -0.003 0.000 0.287 85 G HA3 0.555 4.513 3.960 -0.003 0.000 0.287 85 G C 1.166 176.058 174.900 -0.014 0.000 1.350 85 G CA -0.396 44.681 45.100 -0.038 0.000 1.039 85 G HN 0.331 8.621 8.290 0.000 0.000 0.513 86 A N -0.559 122.270 122.820 0.016 0.000 2.067 86 A HA 0.025 4.344 4.320 -0.003 0.000 0.219 86 A C 1.601 179.217 177.584 0.053 0.000 1.158 86 A CA 2.003 54.063 52.037 0.038 0.000 0.661 86 A CB -0.245 18.775 19.000 0.033 0.000 0.801 86 A HN 0.565 8.715 8.150 0.000 0.000 0.452 87 D N -1.532 118.891 120.400 0.039 0.000 2.358 87 D HA 0.346 4.984 4.640 -0.003 0.000 0.224 87 D C 0.798 177.096 176.300 -0.002 0.000 1.123 87 D CA 0.661 54.699 54.000 0.064 0.000 0.833 87 D CB -0.211 40.659 40.800 0.116 0.000 0.946 87 D HN 0.271 8.641 8.370 0.000 0.000 0.505 88 G N -0.090 108.706 108.800 -0.007 0.000 3.392 88 G HA2 0.272 4.231 3.960 -0.003 0.000 0.185 88 G HA3 0.272 4.231 3.960 -0.003 0.000 0.185 88 G C 0.620 175.585 174.900 0.108 0.000 1.206 88 G CA -0.677 44.433 45.100 0.015 0.000 0.776 88 G HN 0.135 8.425 8.290 0.000 0.000 0.697 89 L N 0.850 121.986 121.223 -0.146 0.000 2.456 89 L HA -0.030 4.309 4.340 -0.003 0.000 0.224 89 L C 2.885 179.706 176.870 -0.080 0.000 1.148 89 L CA 0.639 55.279 54.840 -0.334 0.000 0.825 89 L CB -0.155 41.724 42.059 -0.299 0.000 0.937 89 L HN 0.465 8.695 8.230 0.000 0.000 0.450 90 Q N -1.084 118.723 119.800 0.012 0.000 2.291 90 Q HA -0.198 4.140 4.340 -0.003 0.000 0.205 90 Q C 2.231 178.316 176.000 0.141 0.000 0.970 90 Q CA 1.720 57.572 55.803 0.081 0.000 0.876 90 Q CB -0.137 28.649 28.738 0.080 0.000 0.935 90 Q HN 0.396 8.666 8.270 0.000 0.000 0.455 91 T N 0.511 115.173 114.554 0.180 0.000 2.821 91 T HA -0.106 4.242 4.350 -0.003 0.000 0.267 91 T C 1.639 176.454 174.700 0.191 0.000 1.046 91 T CA 0.650 62.891 62.100 0.234 0.000 1.139 91 T CB -0.017 69.046 68.868 0.325 0.000 0.871 91 T HN 0.161 8.401 8.240 0.000 0.000 0.454 92 L N 1.173 122.481 121.223 0.141 0.000 2.156 92 L HA 0.084 4.422 4.340 -0.003 0.000 0.208 92 L C 1.874 178.767 176.870 0.039 0.000 1.095 92 L CA 1.738 56.620 54.840 0.071 0.000 0.770 92 L CB -0.598 41.464 42.059 0.004 0.000 0.914 92 L HN 0.141 8.370 8.230 0.000 0.000 0.439 93 D N -1.350 119.127 120.400 0.129 0.000 2.144 93 D HA -0.262 4.377 4.640 -0.003 0.000 0.199 93 D C 1.920 178.231 176.300 0.019 0.000 0.984 93 D CA 1.433 55.525 54.000 0.154 0.000 0.834 93 D CB -0.232 40.675 40.800 0.178 0.000 0.955 93 D HN 0.449 8.819 8.370 0.000 0.000 0.465 94 Y N 1.128 121.377 120.300 -0.085 0.000 2.293 94 Y HA -0.152 4.396 4.550 -0.003 0.000 0.291 94 Y C 2.190 177.959 175.900 -0.220 0.000 1.137 94 Y CA 0.772 58.746 58.100 -0.210 0.000 1.202 94 Y CB -0.078 38.164 38.460 -0.363 0.000 0.990 94 Y HN -0.216 8.064 8.280 0.000 0.000 0.537 95 V N -1.157 118.654 119.914 -0.172 0.000 2.343 95 V HA -0.301 3.817 4.120 -0.003 0.000 0.247 95 V C 2.221 178.185 176.094 -0.216 0.000 1.051 95 V CA 1.766 63.902 62.300 -0.273 0.000 1.036 95 V CB -0.748 30.953 31.823 -0.202 0.000 0.654 95 V HN 0.295 8.485 8.190 0.000 0.000 0.451 96 V N -0.348 119.401 119.914 -0.275 0.000 2.427 96 V HA -0.300 3.819 4.120 -0.003 0.000 0.248 96 V C 2.384 178.336 176.094 -0.236 0.000 1.051 96 V CA 2.178 64.292 62.300 -0.309 0.000 1.048 96 V CB -0.663 30.820 31.823 -0.567 0.000 0.666 96 V HN 0.613 8.803 8.190 0.000 0.000 0.456 97 Q N -0.037 119.591 119.800 -0.285 0.000 2.061 97 Q HA -0.258 4.081 4.340 -0.003 0.000 0.204 97 Q C 2.480 178.269 176.000 -0.350 0.000 0.984 97 Q CA 2.300 57.910 55.803 -0.321 0.000 0.846 97 Q CB -0.252 28.229 28.738 -0.428 0.000 0.902 97 Q HN 0.583 8.853 8.270 0.000 0.000 0.421 98 S N -0.686 114.731 115.700 -0.472 0.000 2.402 98 S HA -0.075 4.393 4.470 -0.003 0.000 0.229 98 S C 1.887 176.588 174.600 0.169 0.000 1.021 98 S CA 0.983 59.067 58.200 -0.192 0.000 0.974 98 S CB -0.279 62.729 63.200 -0.321 0.000 0.800 98 S HN 0.533 8.843 8.310 0.000 0.000 0.484 99 A N 1.250 124.146 122.820 0.127 0.000 1.902 99 A HA -0.115 4.203 4.320 -0.003 0.000 0.217 99 A C 1.949 179.488 177.584 -0.075 0.000 1.181 99 A CA 1.730 53.762 52.037 -0.008 0.000 0.623 99 A CB -0.781 18.146 19.000 -0.121 0.000 0.818 99 A HN 0.698 8.848 8.150 0.000 0.000 0.443 100 E N -0.453 119.686 120.200 -0.102 0.000 2.085 100 E HA -0.254 4.094 4.350 -0.003 0.000 0.194 100 E C 2.269 178.800 176.600 -0.115 0.000 0.994 100 E CA 1.549 57.883 56.400 -0.111 0.000 0.801 100 E CB -0.207 29.428 29.700 -0.109 0.000 0.743 100 E HN 0.746 9.106 8.360 0.000 0.000 0.453 101 Q N -0.485 119.234 119.800 -0.135 0.000 2.172 101 Q HA -0.112 4.226 4.340 -0.003 0.000 0.200 101 Q C 1.153 176.991 176.000 -0.270 0.000 0.964 101 Q CA 1.014 56.689 55.803 -0.213 0.000 0.855 101 Q CB 0.069 28.642 28.738 -0.276 0.000 0.918 101 Q HN 0.431 8.701 8.270 0.000 0.000 0.444 102 H N -0.428 118.583 119.070 -0.098 0.000 2.529 102 H HA 0.171 4.726 4.556 -0.002 0.000 0.277 102 H C -0.505 174.739 175.328 -0.140 0.000 1.004 102 H CA -0.066 55.919 56.048 -0.106 0.000 1.167 102 H CB 0.193 29.888 29.762 -0.110 0.000 1.445 102 H HN 0.262 8.542 8.280 0.000 0.000 0.554 103 N N 0.354 119.016 118.700 -0.063 0.000 2.740 103 N HA -0.181 4.557 4.740 -0.003 0.000 0.248 103 N C -1.153 174.274 175.510 -0.139 0.000 1.062 103 N CA 0.119 53.112 53.050 -0.095 0.000 0.704 103 N CB -1.207 37.235 38.487 -0.076 0.000 0.968 103 N HN 0.303 8.683 8.380 0.000 0.000 0.547 104 L N -0.308 120.798 121.223 -0.194 0.000 2.344 104 L HA 0.528 4.866 4.340 -0.003 0.000 0.272 104 L C 0.495 177.188 176.870 -0.295 0.000 1.035 104 L CA -0.811 53.838 54.840 -0.318 0.000 0.807 104 L CB 1.049 42.774 42.059 -0.557 0.000 1.237 104 L HN -0.031 8.199 8.230 0.000 0.000 0.442 105 K N 2.933 123.141 120.400 -0.319 0.000 2.208 105 K HA 0.691 5.009 4.320 -0.003 0.000 0.247 105 K C -1.025 175.377 176.600 -0.329 0.000 0.953 105 K CA -0.558 55.577 56.287 -0.255 0.000 0.837 105 K CB 2.334 34.761 32.500 -0.122 0.000 1.131 105 K HN 0.411 8.661 8.250 0.000 0.000 0.431 106 L N 2.648 123.705 121.223 -0.278 0.000 2.365 106 L HA 0.554 4.892 4.340 -0.003 0.000 0.273 106 L C -0.123 176.611 176.870 -0.226 0.000 1.000 106 L CA -0.896 53.771 54.840 -0.289 0.000 0.819 106 L CB 1.574 43.470 42.059 -0.272 0.000 1.284 106 L HN 0.391 8.621 8.230 0.000 0.000 0.418 107 I N 4.089 124.540 120.570 -0.198 0.000 2.331 107 I HA 0.378 4.546 4.170 -0.003 0.000 0.292 107 I C -0.433 175.686 176.117 0.003 0.000 0.998 107 I CA -0.230 61.031 61.300 -0.065 0.000 1.267 107 I CB 1.359 39.344 38.000 -0.024 0.000 1.386 107 I HN 0.421 8.631 8.210 0.000 0.000 0.476 108 I N 8.786 129.373 120.570 0.029 0.000 2.466 108 I HA 0.309 4.477 4.170 -0.003 0.000 0.279 108 I C -2.407 173.731 176.117 0.035 0.000 1.033 108 I CA -1.885 59.481 61.300 0.110 0.000 1.123 108 I CB 1.821 39.929 38.000 0.181 0.000 1.237 108 I HN 0.257 8.467 8.210 0.000 0.000 0.460 109 P HA 0.214 4.634 4.420 0.000 0.000 0.278 109 P C -0.157 177.332 177.300 0.317 0.000 1.238 109 P CA -0.188 62.992 63.100 0.134 0.000 0.794 109 P CB 1.025 32.903 31.700 0.297 0.000 0.955 110 F N 0.830 121.135 119.950 0.592 0.000 2.698 110 F HA 0.229 4.754 4.527 -0.003 0.000 0.295 110 F C 1.181 177.406 175.800 0.709 0.000 1.124 110 F CA 0.197 58.605 58.000 0.680 0.000 1.426 110 F CB 0.313 39.606 39.000 0.489 0.000 1.120 110 F HN 0.068 8.368 8.300 0.000 0.000 0.583 111 V N -0.342 119.855 119.914 0.471 0.000 3.147 111 V HA 0.410 4.528 4.120 -0.003 0.000 0.299 111 V C -1.452 174.129 176.094 -0.855 0.000 1.302 111 V CA -0.932 61.256 62.300 -0.186 0.000 1.015 111 V CB 2.219 34.098 31.823 0.093 0.000 1.086 111 V HN -0.037 8.153 8.190 0.000 0.000 0.437 112 N N 3.011 120.933 118.700 -1.297 0.000 2.456 112 N HA 0.312 5.050 4.740 -0.003 0.000 0.288 112 N C 0.607 175.733 175.510 -0.640 0.000 1.059 112 N CA 0.202 52.715 53.050 -0.895 0.000 0.946 112 N CB 1.574 39.639 38.487 -0.703 0.000 1.150 112 N HN 0.810 9.190 8.380 0.000 0.000 0.479 113 N N 2.174 120.497 118.700 -0.628 0.000 2.166 113 N HA -0.055 4.684 4.740 -0.003 0.000 0.186 113 N C -0.303 174.712 175.510 -0.824 0.000 1.019 113 N CA 1.269 53.798 53.050 -0.868 0.000 0.856 113 N CB 0.134 37.959 38.487 -1.103 0.000 0.993 113 N HN 0.509 8.889 8.380 0.000 0.000 0.426 114 W N -0.204 120.997 121.300 -0.164 0.000 2.298 114 W HA 0.267 4.927 4.660 0.001 0.000 0.358 114 W C 1.630 178.097 176.519 -0.087 0.000 1.241 114 W CA -0.784 56.506 57.345 -0.093 0.000 1.385 114 W CB 0.525 29.974 29.460 -0.018 0.000 1.225 114 W HN -0.096 8.084 8.180 0.000 0.000 0.654 115 S N -0.860 114.978 115.700 0.230 0.000 2.603 115 S HA -0.032 4.436 4.470 -0.003 0.000 0.220 115 S C -0.049 174.610 174.600 0.098 0.000 0.967 115 S CA -0.100 58.158 58.200 0.098 0.000 0.920 115 S CB -0.614 62.624 63.200 0.064 0.000 0.773 115 S HN 0.367 8.677 8.310 0.000 0.000 0.529 116 D N 2.008 122.514 120.400 0.177 0.000 2.383 116 D HA 0.086 4.724 4.640 -0.003 0.000 0.252 116 D C -0.287 176.196 176.300 0.305 0.000 1.166 116 D CA 0.105 54.192 54.000 0.145 0.000 0.879 116 D CB 0.052 41.016 40.800 0.274 0.000 1.164 116 D HN 0.368 8.738 8.370 0.000 0.000 0.462 117 Y N 1.090 121.551 120.300 0.268 0.000 3.689 117 Y HA -0.272 4.280 4.550 0.002 0.000 0.221 117 Y C 1.577 177.614 175.900 0.229 0.000 1.247 117 Y CA 0.742 59.014 58.100 0.286 0.000 1.671 117 Y CB -1.812 36.952 38.460 0.507 0.000 1.521 117 Y HN 0.816 9.096 8.280 0.000 0.000 0.632 118 G N -1.895 106.997 108.800 0.153 0.000 4.677 118 G HA2 0.120 4.079 3.960 -0.003 0.000 0.215 118 G HA3 0.120 4.079 3.960 -0.003 0.000 0.215 118 G C 1.567 176.479 174.900 0.019 0.000 1.506 118 G CA 1.048 46.191 45.100 0.072 0.000 1.016 118 G HN 2.088 10.378 8.290 0.000 0.000 0.653 119 G N -0.252 108.533 108.800 -0.026 0.000 2.697 119 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.240 119 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.240 119 G C 0.978 175.779 174.900 -0.164 0.000 1.346 119 G CA 0.475 45.458 45.100 -0.194 0.000 0.887 119 G HN 1.434 9.724 8.290 0.000 0.000 0.569 120 I N 0.763 121.039 120.570 -0.490 0.000 2.194 120 I HA -0.255 3.913 4.170 -0.003 0.000 0.246 120 I C 2.711 178.662 176.117 -0.277 0.000 1.093 120 I CA 2.022 62.871 61.300 -0.752 0.000 1.355 120 I CB -0.301 37.007 38.000 -1.153 0.000 1.046 120 I HN 0.687 8.897 8.210 0.000 0.000 0.413 121 N N 1.177 119.769 118.700 -0.180 0.000 2.149 121 N HA -0.206 4.533 4.740 -0.003 0.000 0.188 121 N C 1.882 177.380 175.510 -0.020 0.000 1.019 121 N CA 1.548 54.556 53.050 -0.071 0.000 0.857 121 N CB 0.095 38.553 38.487 -0.048 0.000 0.997 121 N HN 0.377 8.757 8.380 0.000 0.000 0.426 122 A N -0.107 122.706 122.820 -0.012 0.000 1.969 122 A HA -0.113 4.205 4.320 -0.003 0.000 0.218 122 A C 1.720 179.275 177.584 -0.048 0.000 1.169 122 A CA 0.841 52.847 52.037 -0.051 0.000 0.635 122 A CB -0.759 18.196 19.000 -0.075 0.000 0.810 122 A HN 0.424 8.574 8.150 0.000 0.000 0.445 123 Y N -0.477 119.839 120.300 0.026 0.000 2.200 123 Y HA -0.128 4.420 4.550 -0.004 0.000 0.290 123 Y C 2.569 178.576 175.900 0.180 0.000 1.137 123 Y CA 1.400 59.641 58.100 0.234 0.000 1.163 123 Y CB -0.485 38.306 38.460 0.551 0.000 0.988 123 Y HN 0.094 8.374 8.280 0.000 0.000 0.518 124 V N 0.467 120.533 119.914 0.254 0.000 2.407 124 V HA -0.289 3.829 4.120 -0.003 0.000 0.248 124 V C 1.871 177.993 176.094 0.048 0.000 1.055 124 V CA 1.839 64.235 62.300 0.160 0.000 1.049 124 V CB -0.568 31.300 31.823 0.075 0.000 0.662 124 V HN 0.466 8.656 8.190 0.000 0.000 0.455 125 N N 0.628 119.316 118.700 -0.021 0.000 2.166 125 N HA -0.123 4.616 4.740 -0.003 0.000 0.186 125 N C 1.797 177.214 175.510 -0.155 0.000 1.019 125 N CA 1.731 54.735 53.050 -0.077 0.000 0.856 125 N CB -0.359 38.072 38.487 -0.092 0.000 0.993 125 N HN 0.524 8.904 8.380 0.000 0.000 0.426 126 A N -0.604 122.029 122.820 -0.311 0.000 1.935 126 A HA 0.114 4.432 4.320 -0.003 0.000 0.214 126 A C 1.035 178.296 177.584 -0.539 0.000 1.178 126 A CA 0.716 52.382 52.037 -0.619 0.000 0.640 126 A CB -0.171 18.088 19.000 -1.235 0.000 0.825 126 A HN 0.194 8.344 8.150 0.000 0.000 0.447 127 F N -0.768 119.228 119.950 0.077 0.000 2.688 127 F HA 0.464 4.990 4.527 -0.002 0.000 0.310 127 F C 1.416 177.254 175.800 0.063 0.000 1.098 127 F CA -0.134 57.912 58.000 0.078 0.000 1.228 127 F CB -0.156 38.915 39.000 0.119 0.000 1.042 127 F HN 0.424 8.724 8.300 0.000 0.000 0.557 128 G N 0.435 109.333 108.800 0.163 0.000 2.698 128 G HA2 0.287 4.245 3.960 -0.003 0.000 0.233 128 G HA3 0.287 4.245 3.960 -0.003 0.000 0.233 128 G C 0.513 175.485 174.900 0.121 0.000 1.352 128 G CA -0.342 44.825 45.100 0.112 0.000 0.879 128 G HN 1.279 9.569 8.290 0.000 0.000 0.567 129 G N -0.662 108.187 108.800 0.082 0.000 2.562 129 G HA2 0.339 4.297 3.960 -0.003 0.000 0.250 129 G HA3 0.339 4.297 3.960 -0.003 0.000 0.250 129 G C -0.021 174.918 174.900 0.066 0.000 1.269 129 G CA 1.134 46.277 45.100 0.072 0.000 0.919 129 G HN 3.056 11.346 8.290 0.000 0.000 0.574 130 N N -2.103 116.637 118.700 0.066 0.000 3.316 130 N HA 0.753 5.491 4.740 -0.003 0.000 0.300 130 N C 1.087 176.621 175.510 0.041 0.000 1.567 130 N CA 0.820 53.898 53.050 0.046 0.000 0.821 130 N CB 0.718 39.224 38.487 0.032 0.000 1.748 130 N HN 1.690 10.070 8.380 0.000 0.000 0.603 131 A N -1.050 121.767 122.820 -0.006 0.000 2.125 131 A HA -0.049 4.270 4.320 -0.003 0.000 0.219 131 A C 1.602 179.173 177.584 -0.023 0.000 1.156 131 A CA 2.309 54.302 52.037 -0.074 0.000 0.671 131 A CB -1.371 17.565 19.000 -0.107 0.000 0.794 131 A HN 0.868 9.018 8.150 0.000 0.000 0.459 132 T N -4.024 110.561 114.554 0.052 0.000 3.040 132 T HA -0.046 4.302 4.350 -0.003 0.000 0.252 132 T C 1.722 176.516 174.700 0.157 0.000 1.064 132 T CA 1.386 63.564 62.100 0.131 0.000 1.110 132 T CB -0.773 68.146 68.868 0.086 0.000 0.921 132 T HN 0.508 8.748 8.240 0.000 0.000 0.480 133 T N -2.513 112.099 114.554 0.098 0.000 3.118 133 T HA -0.014 4.334 4.350 -0.003 0.000 0.260 133 T C 1.468 176.199 174.700 0.051 0.000 1.139 133 T CA 0.110 62.255 62.100 0.075 0.000 1.085 133 T CB -0.848 68.050 68.868 0.050 0.000 0.934 133 T HN 0.558 8.798 8.240 0.000 0.000 0.518 134 W N 1.585 122.767 121.300 -0.196 0.000 2.325 134 W HA -0.163 4.497 4.660 0.000 0.000 0.299 134 W C 1.325 177.581 176.519 -0.438 0.000 1.215 134 W CA 0.956 58.091 57.345 -0.350 0.000 1.244 134 W CB -0.544 28.570 29.460 -0.578 0.000 1.140 134 W HN 0.303 8.483 8.180 0.000 0.000 0.523 135 Y N -0.148 120.021 120.300 -0.218 0.000 2.315 135 Y HA -0.188 4.360 4.550 -0.003 0.000 0.288 135 Y C 2.440 178.146 175.900 -0.323 0.000 1.154 135 Y CA 2.101 59.909 58.100 -0.487 0.000 1.229 135 Y CB -0.969 37.284 38.460 -0.345 0.000 0.980 135 Y HN 0.058 8.338 8.280 0.000 0.000 0.540 136 T N -3.599 110.896 114.554 -0.098 0.000 3.200 136 T HA 0.124 4.473 4.350 -0.003 0.000 0.284 136 T C 0.027 174.653 174.700 -0.123 0.000 1.009 136 T CA -0.567 61.490 62.100 -0.072 0.000 0.907 136 T CB -0.469 68.397 68.868 -0.004 0.000 1.120 136 T HN 0.026 8.266 8.240 0.000 0.000 0.534 137 N N 1.809 120.382 118.700 -0.212 0.000 2.401 137 N HA 0.127 4.865 4.740 -0.003 0.000 0.255 137 N C 0.936 176.312 175.510 -0.225 0.000 1.110 137 N CA 0.125 53.070 53.050 -0.175 0.000 0.949 137 N CB 1.343 39.739 38.487 -0.150 0.000 1.110 137 N HN 0.132 8.512 8.380 0.000 0.000 0.490 138 T N 2.751 117.213 114.554 -0.154 0.000 2.746 138 T HA -0.114 4.235 4.350 -0.003 0.000 0.267 138 T C 1.749 176.313 174.700 -0.226 0.000 1.039 138 T CA 1.747 63.748 62.100 -0.165 0.000 1.142 138 T CB -0.141 68.662 68.868 -0.109 0.000 0.866 138 T HN 0.681 8.921 8.240 0.000 0.000 0.444 139 A N 1.333 124.007 122.820 -0.244 0.000 1.930 139 A HA 0.218 4.536 4.320 -0.003 0.000 0.217 139 A C 2.620 179.729 177.584 -0.792 0.000 1.175 139 A CA 1.718 53.500 52.037 -0.424 0.000 0.627 139 A CB -1.001 17.808 19.000 -0.319 0.000 0.815 139 A HN 0.505 8.655 8.150 0.000 0.000 0.443 140 A N -1.232 121.218 122.820 -0.617 0.000 1.898 140 A HA -0.126 4.193 4.320 -0.003 0.000 0.216 140 A C 2.105 179.489 177.584 -0.334 0.000 1.181 140 A CA 1.499 53.274 52.037 -0.438 0.000 0.620 140 A CB -0.396 18.515 19.000 -0.149 0.000 0.819 140 A HN 0.458 8.608 8.150 0.000 0.000 0.442 141 Q N -0.377 119.164 119.800 -0.432 0.000 2.167 141 Q HA -0.098 4.240 4.340 -0.003 0.000 0.202 141 Q C 2.130 178.060 176.000 -0.118 0.000 0.970 141 Q CA 1.887 57.513 55.803 -0.296 0.000 0.855 141 Q CB -0.973 27.593 28.738 -0.286 0.000 0.911 141 Q HN 0.657 8.927 8.270 0.000 0.000 0.438 142 T N 1.183 115.628 114.554 -0.181 0.000 2.746 142 T HA -0.178 4.170 4.350 -0.003 0.000 0.267 142 T C 1.839 176.503 174.700 -0.062 0.000 1.039 142 T CA 1.584 63.598 62.100 -0.143 0.000 1.142 142 T CB -0.062 68.709 68.868 -0.161 0.000 0.866 142 T HN 0.169 8.409 8.240 0.000 0.000 0.444 143 Q N 0.130 119.907 119.800 -0.037 0.000 2.079 143 Q HA -0.081 4.257 4.340 -0.003 0.000 0.200 143 Q C 1.918 178.134 176.000 0.359 0.000 0.974 143 Q CA 1.397 57.293 55.803 0.155 0.000 0.840 143 Q CB -0.630 28.226 28.738 0.197 0.000 0.898 143 Q HN 0.687 8.957 8.270 0.000 0.000 0.430 144 Y N 0.574 121.059 120.300 0.309 0.000 2.128 144 Y HA -0.211 4.338 4.550 -0.003 0.000 0.284 144 Y C 1.879 177.900 175.900 0.200 0.000 1.154 144 Y CA 2.063 60.374 58.100 0.352 0.000 1.149 144 Y CB -0.072 38.478 38.460 0.149 0.000 0.976 144 Y HN 0.048 8.328 8.280 0.000 0.000 0.505 145 R N 0.198 120.672 120.500 -0.043 0.000 2.148 145 R HA -0.127 4.211 4.340 -0.003 0.000 0.227 145 R C 2.364 178.602 176.300 -0.105 0.000 1.103 145 R CA 1.316 57.282 56.100 -0.224 0.000 0.983 145 R CB -0.233 29.822 30.300 -0.408 0.000 0.874 145 R HN 0.337 8.607 8.270 0.000 0.000 0.451 146 K N 0.094 120.482 120.400 -0.020 0.000 2.057 146 K HA -0.207 4.111 4.320 -0.003 0.000 0.207 146 K C 1.889 178.501 176.600 0.020 0.000 1.049 146 K CA 1.314 57.612 56.287 0.018 0.000 0.931 146 K CB -0.142 32.397 32.500 0.065 0.000 0.714 146 K HN 0.083 8.333 8.250 0.000 0.000 0.440 147 Y N 0.991 121.277 120.300 -0.023 0.000 2.200 147 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 147 Y C 1.851 177.636 175.900 -0.191 0.000 1.137 147 Y CA 1.137 59.232 58.100 -0.008 0.000 1.163 147 Y CB -0.274 38.288 38.460 0.171 0.000 0.988 147 Y HN -0.173 8.107 8.280 0.000 0.000 0.518 148 V N 0.838 120.439 119.914 -0.521 0.000 2.282 148 V HA -0.364 3.755 4.120 -0.003 0.000 0.249 148 V C 2.520 178.166 176.094 -0.746 0.000 1.057 148 V CA 2.390 64.090 62.300 -0.999 0.000 1.032 148 V CB -0.809 30.380 31.823 -1.058 0.000 0.645 148 V HN 0.448 8.638 8.190 0.000 0.000 0.447 149 Q N -0.006 119.549 119.800 -0.409 0.000 2.135 149 Q HA -0.216 4.122 4.340 -0.003 0.000 0.204 149 Q C 2.250 178.035 176.000 -0.358 0.000 0.981 149 Q CA 2.216 57.813 55.803 -0.344 0.000 0.856 149 Q CB -0.316 28.343 28.738 -0.132 0.000 0.902 149 Q HN 0.636 8.906 8.270 0.000 0.000 0.425 150 A N -0.330 122.283 122.820 -0.344 0.000 1.969 150 A HA -0.076 4.242 4.320 -0.003 0.000 0.218 150 A C 2.237 179.573 177.584 -0.412 0.000 1.169 150 A CA 1.389 53.238 52.037 -0.314 0.000 0.635 150 A CB -0.289 18.570 19.000 -0.234 0.000 0.810 150 A HN 0.256 8.406 8.150 0.000 0.000 0.445 151 V N -0.905 118.689 119.914 -0.534 0.000 2.379 151 V HA -0.128 3.990 4.120 -0.003 0.000 0.243 151 V C 2.507 178.340 176.094 -0.434 0.000 1.035 151 V CA 1.585 63.640 62.300 -0.409 0.000 1.035 151 V CB -0.501 31.181 31.823 -0.234 0.000 0.673 151 V HN 0.323 8.513 8.190 0.000 0.000 0.457 152 V N 1.311 120.841 119.914 -0.639 0.000 2.407 152 V HA -0.209 3.910 4.120 -0.003 0.000 0.248 152 V C 2.711 178.619 176.094 -0.310 0.000 1.055 152 V CA 2.230 64.081 62.300 -0.749 0.000 1.049 152 V CB -0.787 30.470 31.823 -0.944 0.000 0.662 152 V HN 0.751 8.941 8.190 0.000 0.000 0.455 153 S N 0.304 115.812 115.700 -0.321 0.000 2.447 153 S HA -0.175 4.293 4.470 -0.003 0.000 0.233 153 S C 1.981 176.455 174.600 -0.210 0.000 1.006 153 S CA 1.022 59.098 58.200 -0.207 0.000 0.957 153 S CB -0.442 62.640 63.200 -0.196 0.000 0.773 153 S HN 0.603 8.913 8.310 0.000 0.000 0.507 154 R N -0.209 120.051 120.500 -0.401 0.000 2.090 154 R HA 0.034 4.372 4.340 -0.003 0.000 0.228 154 R C 0.686 176.761 176.300 -0.374 0.000 1.110 154 R CA 1.408 57.170 56.100 -0.563 0.000 0.973 154 R CB -0.248 29.351 30.300 -1.168 0.000 0.869 154 R HN 0.589 8.859 8.270 0.000 0.000 0.440 155 Y N -1.426 118.993 120.300 0.199 0.000 2.660 155 Y HA 0.418 4.966 4.550 -0.003 0.000 0.254 155 Y C 1.398 177.536 175.900 0.397 0.000 1.176 155 Y CA -0.703 57.559 58.100 0.270 0.000 1.195 155 Y CB 0.002 38.639 38.460 0.295 0.000 1.190 155 Y HN -0.021 8.259 8.280 0.000 0.000 0.535 156 A N 0.423 123.500 122.820 0.428 0.000 2.070 156 A HA -0.191 4.128 4.320 -0.003 0.000 0.220 156 A C 1.319 179.137 177.584 0.391 0.000 1.159 156 A CA 1.884 54.205 52.037 0.473 0.000 0.656 156 A CB -0.475 18.652 19.000 0.211 0.000 0.800 156 A HN 0.488 8.638 8.150 0.000 0.000 0.453 157 N N -0.968 117.939 118.700 0.345 0.000 2.214 157 N HA 0.141 4.879 4.740 -0.003 0.000 0.214 157 N C 0.063 175.829 175.510 0.427 0.000 1.132 157 N CA 0.280 53.550 53.050 0.366 0.000 0.856 157 N CB 0.635 39.258 38.487 0.226 0.000 1.020 157 N HN 0.220 8.600 8.380 0.000 0.000 0.509 158 S N 0.146 116.116 115.700 0.450 0.000 2.545 158 S HA 0.106 4.575 4.470 -0.003 0.000 0.275 158 S C 1.409 176.229 174.600 0.366 0.000 1.299 158 S CA -0.504 57.876 58.200 0.299 0.000 1.048 158 S CB 0.541 63.874 63.200 0.221 0.000 0.938 158 S HN 0.403 8.713 8.310 0.000 0.000 0.496 159 T N 2.254 116.855 114.554 0.078 0.000 3.148 159 T HA 0.175 4.523 4.350 -0.003 0.000 0.253 159 T C 1.409 176.118 174.700 0.015 0.000 1.134 159 T CA 0.462 62.556 62.100 -0.009 0.000 1.051 159 T CB -0.157 68.542 68.868 -0.282 0.000 0.959 159 T HN 0.623 8.863 8.240 0.000 0.000 0.525 160 A N 1.178 123.980 122.820 -0.030 0.000 2.208 160 A HA 0.380 4.698 4.320 -0.003 0.000 0.209 160 A C 0.822 178.286 177.584 -0.200 0.000 1.161 160 A CA -0.102 51.861 52.037 -0.123 0.000 0.782 160 A CB -0.300 18.609 19.000 -0.151 0.000 0.816 160 A HN 0.523 8.673 8.150 0.000 0.000 0.477 161 I N 0.077 120.483 120.570 -0.273 0.000 2.352 161 I HA 0.136 4.305 4.170 -0.003 0.000 0.290 161 I C 0.955 176.835 176.117 -0.395 0.000 1.036 161 I CA -0.382 60.573 61.300 -0.575 0.000 1.336 161 I CB 0.122 37.348 38.000 -1.290 0.000 1.407 161 I HN 0.331 8.541 8.210 0.000 0.000 0.497 162 F N 5.754 125.441 119.950 -0.438 0.000 2.098 162 F HA 0.250 4.776 4.527 -0.002 0.000 0.294 162 F C 0.947 176.593 175.800 -0.256 0.000 1.107 162 F CA 0.951 58.744 58.000 -0.345 0.000 1.234 162 F CB 0.478 39.219 39.000 -0.432 0.000 1.002 162 F HN 0.533 8.833 8.300 0.000 0.000 0.472 163 A N -1.694 121.107 122.820 -0.032 0.000 2.594 163 A HA 0.414 4.733 4.320 -0.003 0.000 0.296 163 A C -1.778 175.704 177.584 -0.171 0.000 1.061 163 A CA -0.730 51.309 52.037 0.004 0.000 0.689 163 A CB -0.278 19.026 19.000 0.507 0.000 1.280 163 A HN 0.276 8.426 8.150 0.000 0.000 0.406 164 W N 0.670 122.021 121.300 0.085 0.000 2.251 164 W HA 0.567 5.225 4.660 -0.003 0.000 0.329 164 W C 0.698 177.196 176.519 -0.036 0.000 1.234 164 W CA 0.122 57.460 57.345 -0.013 0.000 1.228 164 W CB 0.885 30.457 29.460 0.188 0.000 1.135 164 W HN 0.795 8.975 8.180 0.000 0.000 0.576 165 E N 2.304 122.534 120.200 0.051 0.000 2.246 165 E HA 0.187 4.535 4.350 -0.003 0.000 0.266 165 E C 0.379 177.061 176.600 0.136 0.000 0.880 165 E CA -0.489 55.976 56.400 0.109 0.000 0.762 165 E CB 1.313 31.105 29.700 0.153 0.000 1.180 165 E HN 0.535 8.895 8.360 0.000 0.000 0.416 166 L N 2.521 123.935 121.223 0.317 0.000 2.083 166 L HA 0.133 4.472 4.340 -0.003 0.000 0.209 166 L C 1.168 178.419 176.870 0.636 0.000 1.083 166 L CA 1.352 56.517 54.840 0.541 0.000 0.752 166 L CB -0.385 41.889 42.059 0.358 0.000 0.899 166 L HN 0.606 8.836 8.230 0.000 0.000 0.433 167 G N -1.226 107.834 108.800 0.434 0.000 2.623 167 G HA2 0.230 4.188 3.960 -0.003 0.000 0.290 167 G HA3 0.230 4.188 3.960 -0.003 0.000 0.290 167 G C -1.811 173.202 174.900 0.189 0.000 1.437 167 G CA -0.620 44.658 45.100 0.296 0.000 0.798 167 G HN -0.043 8.247 8.290 0.000 0.000 0.488 168 N N 0.456 119.179 118.700 0.039 0.000 2.406 168 N HA 0.321 5.059 4.740 -0.003 0.000 0.251 168 N C 0.275 175.826 175.510 0.069 0.000 1.069 168 N CA 0.064 53.171 53.050 0.095 0.000 0.947 168 N CB 0.107 38.535 38.487 -0.097 0.000 1.111 168 N HN 0.647 9.027 8.380 0.000 0.000 0.497 169 E N 0.553 120.867 120.200 0.190 0.000 2.320 169 E HA -0.167 4.181 4.350 -0.003 0.000 0.234 169 E C -2.200 174.362 176.600 -0.063 0.000 1.183 169 E CA 0.024 56.507 56.400 0.137 0.000 0.713 169 E CB -1.262 28.660 29.700 0.370 0.000 1.226 169 E HN 0.618 8.978 8.360 0.000 0.000 0.382 170 P HA 0.006 4.426 4.420 0.000 0.000 0.264 170 P C -0.160 177.094 177.300 -0.078 0.000 1.193 170 P CA 0.828 63.874 63.100 -0.088 0.000 0.763 170 P CB 0.649 32.395 31.700 0.078 0.000 0.810 171 R N 1.922 122.333 120.500 -0.148 0.000 2.867 171 R HA 0.667 5.005 4.340 -0.003 0.000 0.268 171 R C -1.099 175.165 176.300 -0.061 0.000 1.014 171 R CA -0.739 55.299 56.100 -0.103 0.000 0.946 171 R CB 1.969 32.200 30.300 -0.115 0.000 1.208 171 R HN 0.446 8.716 8.270 0.000 0.000 0.477 172 C N 2.053 121.316 119.300 -0.062 0.000 3.123 172 C HA 0.257 4.715 4.460 -0.003 0.000 0.284 172 C C -0.422 174.571 174.990 0.004 0.000 1.076 172 C CA -0.759 58.247 59.018 -0.021 0.000 1.416 172 C CB -0.591 27.047 27.740 -0.170 0.000 1.841 172 C HN 0.791 9.021 8.230 0.000 0.000 0.501 173 N N 1.961 120.677 118.700 0.027 0.000 2.447 173 N HA 0.197 4.935 4.740 -0.003 0.000 0.263 173 N C 1.312 176.856 175.510 0.058 0.000 1.226 173 N CA 1.892 54.976 53.050 0.056 0.000 0.906 173 N CB 0.721 39.249 38.487 0.068 0.000 1.060 173 N HN 1.207 9.587 8.380 0.000 0.000 0.468 174 G N 2.608 111.451 108.800 0.072 0.000 2.189 174 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.267 174 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.267 174 G C 0.363 175.290 174.900 0.046 0.000 0.975 174 G CA 0.478 45.617 45.100 0.065 0.000 0.644 174 G HN 0.681 8.971 8.290 0.000 0.000 0.537 175 C N 0.364 119.682 119.300 0.030 0.000 2.500 175 C HA 0.720 5.179 4.460 -0.003 0.000 0.367 175 C C 1.645 176.641 174.990 0.009 0.000 1.283 175 C CA 0.199 59.224 59.018 0.012 0.000 2.456 175 C CB 1.228 28.957 27.740 -0.019 0.000 2.457 175 C HN 0.800 9.030 8.230 0.000 0.000 0.632 176 S N 0.695 116.394 115.700 -0.002 0.000 2.558 176 S HA 0.016 4.484 4.470 -0.003 0.000 0.288 176 S C 1.454 176.042 174.600 -0.021 0.000 1.318 176 S CA 0.428 58.622 58.200 -0.010 0.000 1.056 176 S CB 0.557 63.748 63.200 -0.015 0.000 0.853 176 S HN 0.974 9.284 8.310 0.000 0.000 0.505 177 T N 1.089 115.635 114.554 -0.015 0.000 3.051 177 T HA -0.077 4.272 4.350 -0.003 0.000 0.269 177 T C 1.168 175.854 174.700 -0.022 0.000 1.127 177 T CA 1.357 63.454 62.100 -0.006 0.000 1.107 177 T CB -0.394 68.486 68.868 0.021 0.000 0.898 177 T HN 0.701 8.941 8.240 0.000 0.000 0.517 178 D N 0.780 121.164 120.400 -0.028 0.000 2.269 178 D HA -0.030 4.609 4.640 -0.003 0.000 0.208 178 D C 1.953 178.240 176.300 -0.021 0.000 0.963 178 D CA 0.359 54.347 54.000 -0.020 0.000 0.864 178 D CB -0.185 40.605 40.800 -0.018 0.000 0.936 178 D HN 0.306 8.676 8.370 0.000 0.000 0.505 179 V N 0.443 120.326 119.914 -0.052 0.000 2.261 179 V HA -0.226 3.893 4.120 -0.003 0.000 0.246 179 V C 2.478 178.503 176.094 -0.115 0.000 1.047 179 V CA 1.369 63.621 62.300 -0.079 0.000 1.015 179 V CB -0.379 31.368 31.823 -0.126 0.000 0.642 179 V HN 0.306 8.496 8.190 0.000 0.000 0.446 180 I N -0.509 119.942 120.570 -0.198 0.000 2.439 180 I HA -0.156 4.013 4.170 -0.003 0.000 0.251 180 I C 2.338 178.513 176.117 0.096 0.000 1.139 180 I CA 0.797 62.032 61.300 -0.108 0.000 1.438 180 I CB -0.225 37.665 38.000 -0.184 0.000 1.085 180 I HN 0.142 8.352 8.210 0.000 0.000 0.427 181 V N 0.526 120.466 119.914 0.044 0.000 2.287 181 V HA -0.299 3.819 4.120 -0.003 0.000 0.248 181 V C 2.496 178.629 176.094 0.066 0.000 1.053 181 V CA 1.706 64.037 62.300 0.051 0.000 1.027 181 V CB -0.654 31.180 31.823 0.018 0.000 0.646 181 V HN 0.454 8.644 8.190 0.000 0.000 0.447 182 Q N -1.665 118.177 119.800 0.069 0.000 2.123 182 Q HA -0.210 4.129 4.340 -0.003 0.000 0.199 182 Q C 1.893 177.964 176.000 0.119 0.000 0.966 182 Q CA 1.803 57.646 55.803 0.068 0.000 0.845 182 Q CB -0.491 28.279 28.738 0.054 0.000 0.907 182 Q HN 0.852 9.122 8.270 0.000 0.000 0.439 183 W N 1.507 122.799 121.300 -0.013 0.000 2.355 183 W HA -0.121 4.538 4.660 -0.001 0.000 0.309 183 W C 2.239 178.799 176.519 0.068 0.000 1.206 183 W CA 2.259 59.624 57.345 0.034 0.000 1.284 183 W CB -0.357 29.157 29.460 0.089 0.000 1.145 183 W HN 0.108 8.288 8.180 0.000 0.000 0.502 184 A N -0.143 122.733 122.820 0.093 0.000 1.933 184 A HA -0.180 4.139 4.320 -0.003 0.000 0.218 184 A C 1.908 179.411 177.584 -0.136 0.000 1.175 184 A CA 2.415 54.375 52.037 -0.130 0.000 0.628 184 A CB -1.378 17.681 19.000 0.098 0.000 0.814 184 A HN 0.326 8.476 8.150 0.000 0.000 0.444 185 T N 0.084 114.607 114.554 -0.052 0.000 2.652 185 T HA -0.132 4.216 4.350 -0.003 0.000 0.267 185 T C 2.290 176.948 174.700 -0.070 0.000 1.039 185 T CA 1.885 63.958 62.100 -0.046 0.000 1.153 185 T CB -0.375 68.483 68.868 -0.017 0.000 0.863 185 T HN 0.491 8.731 8.240 0.000 0.000 0.428 186 S N 0.654 116.301 115.700 -0.088 0.000 2.368 186 S HA -0.063 4.406 4.470 -0.003 0.000 0.225 186 S C 2.315 176.848 174.600 -0.111 0.000 1.030 186 S CA 0.796 58.943 58.200 -0.088 0.000 0.999 186 S CB -0.429 62.724 63.200 -0.080 0.000 0.844 186 S HN 0.256 8.566 8.310 0.000 0.000 0.459 187 V N 2.349 122.111 119.914 -0.253 0.000 2.453 187 V HA -0.119 4.000 4.120 -0.003 0.000 0.247 187 V C 2.615 178.665 176.094 -0.073 0.000 1.048 187 V CA 1.787 63.963 62.300 -0.207 0.000 1.049 187 V CB -0.894 30.627 31.823 -0.503 0.000 0.672 187 V HN 0.671 8.861 8.190 0.000 0.000 0.457 188 S N -0.349 115.294 115.700 -0.096 0.000 2.402 188 S HA -0.257 4.211 4.470 -0.003 0.000 0.229 188 S C 1.887 176.484 174.600 -0.004 0.000 1.021 188 S CA 1.265 59.455 58.200 -0.017 0.000 0.974 188 S CB -0.440 62.752 63.200 -0.014 0.000 0.800 188 S HN 0.655 8.965 8.310 0.000 0.000 0.484 189 Q N -0.262 119.533 119.800 -0.008 0.000 2.096 189 Q HA -0.147 4.191 4.340 -0.003 0.000 0.204 189 Q C 1.990 178.005 176.000 0.025 0.000 0.982 189 Q CA 1.810 57.616 55.803 0.005 0.000 0.850 189 Q CB -0.412 28.328 28.738 0.004 0.000 0.901 189 Q HN 0.748 9.018 8.270 0.000 0.000 0.422 190 Y N 0.791 121.034 120.300 -0.097 0.000 2.145 190 Y HA -0.235 4.314 4.550 -0.003 0.000 0.286 190 Y C 2.034 177.859 175.900 -0.126 0.000 1.145 190 Y CA 1.145 59.174 58.100 -0.117 0.000 1.148 190 Y CB -0.380 37.991 38.460 -0.149 0.000 0.981 190 Y HN -0.151 8.129 8.280 0.000 0.000 0.507 191 V N 0.887 120.657 119.914 -0.241 0.000 2.343 191 V HA -0.293 3.825 4.120 -0.003 0.000 0.247 191 V C 2.399 178.380 176.094 -0.188 0.000 1.051 191 V CA 2.134 64.249 62.300 -0.307 0.000 1.036 191 V CB -0.580 31.207 31.823 -0.059 0.000 0.654 191 V HN 0.282 8.472 8.190 0.000 0.000 0.451 192 K N 0.846 121.198 120.400 -0.080 0.000 2.209 192 K HA -0.112 4.206 4.320 -0.003 0.000 0.204 192 K C 2.393 178.937 176.600 -0.093 0.000 1.048 192 K CA 1.652 57.912 56.287 -0.045 0.000 0.940 192 K CB -0.617 31.874 32.500 -0.014 0.000 0.729 192 K HN 0.674 8.924 8.250 0.000 0.000 0.451 193 S N 0.351 115.965 115.700 -0.143 0.000 2.481 193 S HA 0.004 4.473 4.470 -0.003 0.000 0.231 193 S C 1.879 176.360 174.600 -0.199 0.000 0.996 193 S CA 0.426 58.542 58.200 -0.140 0.000 0.942 193 S CB -0.177 62.966 63.200 -0.096 0.000 0.768 193 S HN 0.216 8.526 8.310 0.000 0.000 0.520 194 L N 0.330 121.374 121.223 -0.299 0.000 2.463 194 L HA 0.390 4.729 4.340 -0.003 0.000 0.219 194 L C 0.110 176.885 176.870 -0.158 0.000 1.088 194 L CA 0.236 54.902 54.840 -0.289 0.000 0.849 194 L CB 0.132 41.909 42.059 -0.470 0.000 1.012 194 L HN 0.295 8.525 8.230 0.000 0.000 0.468 195 D N -0.857 119.484 120.400 -0.097 0.000 2.591 195 D HA 0.069 4.708 4.640 -0.003 0.000 0.222 195 D C 0.280 176.561 176.300 -0.032 0.000 1.360 195 D CA -0.041 53.956 54.000 -0.005 0.000 0.967 195 D CB 1.493 42.416 40.800 0.205 0.000 1.456 195 D HN -0.055 8.315 8.370 0.000 0.000 0.588 196 S N 2.534 118.168 115.700 -0.111 0.000 2.556 196 S HA 0.082 4.550 4.470 -0.003 0.000 0.216 196 S C 0.902 175.350 174.600 -0.252 0.000 0.970 196 S CA -0.202 57.919 58.200 -0.132 0.000 0.912 196 S CB 0.030 63.163 63.200 -0.111 0.000 0.790 196 S HN 0.372 8.682 8.310 0.000 0.000 0.504 197 N N 1.365 119.785 118.700 -0.467 0.000 2.415 197 N HA 0.079 4.818 4.740 -0.003 0.000 0.176 197 N C -0.172 174.853 175.510 -0.809 0.000 1.042 197 N CA 0.617 53.099 53.050 -0.946 0.000 0.902 197 N CB -0.051 37.300 38.487 -1.894 0.000 0.986 197 N HN 0.531 8.911 8.380 0.000 0.000 0.447 198 H N 0.115 119.053 119.070 -0.219 0.000 2.621 198 H HA 0.353 4.908 4.556 -0.002 0.000 0.360 198 H C 0.329 175.643 175.328 -0.023 0.000 1.163 198 H CA -0.661 55.301 56.048 -0.143 0.000 1.194 198 H CB 1.725 31.367 29.762 -0.199 0.000 1.649 198 H HN -0.141 8.139 8.280 0.000 0.000 0.532 199 L N 1.416 122.716 121.223 0.128 0.000 2.467 199 L HA 0.193 4.532 4.340 -0.003 0.000 0.270 199 L C 0.086 177.084 176.870 0.214 0.000 1.205 199 L CA -0.262 54.691 54.840 0.189 0.000 0.828 199 L CB 0.325 42.566 42.059 0.304 0.000 1.101 199 L HN 0.141 8.371 8.230 0.000 0.000 0.479 200 V N 0.768 120.785 119.914 0.172 0.000 2.735 200 V HA 0.617 4.736 4.120 -0.003 0.000 0.310 200 V C -0.108 175.918 176.094 -0.113 0.000 1.061 200 V CA -0.437 61.941 62.300 0.131 0.000 0.913 200 V CB 2.000 33.922 31.823 0.165 0.000 1.005 200 V HN 0.874 9.064 8.190 0.000 0.000 0.428 201 T N 1.843 116.304 114.554 -0.156 0.000 2.812 201 T HA 0.486 4.835 4.350 -0.003 0.000 0.294 201 T C 0.117 174.799 174.700 -0.028 0.000 1.159 201 T CA -0.286 61.624 62.100 -0.318 0.000 1.008 201 T CB 1.703 70.050 68.868 -0.868 0.000 1.289 201 T HN 0.428 8.668 8.240 0.000 0.000 0.514 202 L N 2.112 123.352 121.223 0.027 0.000 2.102 202 L HA 0.463 4.802 4.340 -0.003 0.000 0.202 202 L C 1.894 178.900 176.870 0.228 0.000 1.076 202 L CA 2.591 57.525 54.840 0.157 0.000 0.761 202 L CB -0.831 41.324 42.059 0.159 0.000 0.921 202 L HN 1.141 9.371 8.230 0.000 0.000 0.444 203 G N -0.298 108.639 108.800 0.229 0.000 2.141 203 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.231 203 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.231 203 G C 0.014 175.037 174.900 0.203 0.000 0.984 203 G CA 0.361 45.631 45.100 0.282 0.000 0.660 203 G HN 0.674 8.964 8.290 0.000 0.000 0.525 204 D N 0.135 120.641 120.400 0.177 0.000 2.360 204 D HA 0.207 4.845 4.640 -0.003 0.000 0.242 204 D C 0.961 177.225 176.300 -0.061 0.000 1.184 204 D CA 0.082 54.150 54.000 0.113 0.000 0.930 204 D CB 0.692 41.616 40.800 0.206 0.000 1.161 204 D HN 0.363 8.733 8.370 0.000 0.000 0.447 205 E N -0.615 119.573 120.200 -0.020 0.000 2.427 205 E HA 0.147 4.495 4.350 -0.003 0.000 0.196 205 E C 1.127 177.926 176.600 0.331 0.000 1.028 205 E CA 0.474 56.908 56.400 0.057 0.000 0.864 205 E CB -0.144 29.759 29.700 0.339 0.000 0.813 205 E HN 0.796 9.156 8.360 0.000 0.000 0.514 206 G N 1.136 110.120 108.800 0.306 0.000 2.141 206 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.242 206 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.242 206 G C 0.169 175.225 174.900 0.260 0.000 0.982 206 G CA -0.212 45.017 45.100 0.214 0.000 0.662 206 G HN 0.125 8.415 8.290 0.000 0.000 0.527 207 L N 0.154 121.532 121.223 0.258 0.000 2.461 207 L HA 0.482 4.820 4.340 -0.003 0.000 0.272 207 L C 1.420 178.321 176.870 0.052 0.000 1.197 207 L CA 0.819 55.739 54.840 0.132 0.000 0.836 207 L CB 0.582 42.609 42.059 -0.052 0.000 1.105 207 L HN 1.247 9.477 8.230 0.000 0.000 0.477 208 G N 2.706 111.420 108.800 -0.144 0.000 2.884 208 G HA2 -0.022 3.937 3.960 -0.003 0.000 0.261 208 G HA3 -0.022 3.937 3.960 -0.003 0.000 0.261 208 G C -1.329 173.473 174.900 -0.163 0.000 1.025 208 G CA -0.667 44.171 45.100 -0.436 0.000 1.228 208 G HN 0.469 8.759 8.290 0.000 0.000 0.558 209 L N 1.228 122.350 121.223 -0.169 0.000 2.562 209 L HA 0.752 5.091 4.340 -0.003 0.000 0.266 209 L C 0.777 177.666 176.870 0.032 0.000 0.949 209 L CA 0.094 54.940 54.840 0.011 0.000 0.879 209 L CB 1.775 43.706 42.059 -0.213 0.000 1.278 209 L HN 0.271 8.501 8.230 0.000 0.000 0.404 210 S N 0.446 116.198 115.700 0.087 0.000 2.603 210 S HA -0.043 4.425 4.470 -0.003 0.000 0.220 210 S C 1.278 175.822 174.600 -0.094 0.000 0.967 210 S CA 0.947 59.178 58.200 0.050 0.000 0.920 210 S CB -0.236 63.045 63.200 0.136 0.000 0.773 210 S HN 0.855 9.165 8.310 0.000 0.000 0.529 211 T N -0.565 113.887 114.554 -0.171 0.000 3.169 211 T HA 0.311 4.660 4.350 -0.003 0.000 0.250 211 T C 0.988 175.443 174.700 -0.410 0.000 1.111 211 T CA 0.056 62.019 62.100 -0.228 0.000 1.010 211 T CB 0.153 68.908 68.868 -0.188 0.000 0.984 211 T HN 0.234 8.474 8.240 0.000 0.000 0.537 212 G N 1.779 110.119 108.800 -0.765 0.000 2.531 212 G HA2 0.388 4.346 3.960 -0.003 0.000 0.253 212 G HA3 0.388 4.346 3.960 -0.003 0.000 0.253 212 G C 0.188 174.661 174.900 -0.711 0.000 1.439 212 G CA -0.004 44.222 45.100 -1.457 0.000 1.056 212 G HN 0.396 8.686 8.290 0.000 0.000 0.555 213 D N -2.389 117.714 120.400 -0.495 0.000 2.388 213 D HA 0.244 4.883 4.640 -0.003 0.000 0.221 213 D C 1.430 177.788 176.300 0.097 0.000 1.133 213 D CA 0.521 54.502 54.000 -0.032 0.000 0.831 213 D CB -0.080 40.821 40.800 0.169 0.000 0.962 213 D HN 1.099 9.469 8.370 0.000 0.000 0.502 214 G N -0.177 108.675 108.800 0.087 0.000 2.179 214 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.260 214 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.260 214 G C 0.636 175.685 174.900 0.249 0.000 0.977 214 G CA 0.194 45.387 45.100 0.156 0.000 0.641 214 G HN 0.842 9.132 8.290 0.000 0.000 0.533 215 A N -0.818 122.246 122.820 0.405 0.000 2.448 215 A HA 0.540 4.858 4.320 -0.003 0.000 0.239 215 A C 1.037 178.759 177.584 0.230 0.000 1.080 215 A CA 0.969 53.179 52.037 0.289 0.000 0.779 215 A CB 0.144 19.304 19.000 0.267 0.000 1.026 215 A HN 1.182 9.332 8.150 0.000 0.000 0.499 216 Y N 2.007 122.301 120.300 -0.009 0.000 2.139 216 Y HA -0.160 4.389 4.550 -0.002 0.000 0.282 216 Y C -0.824 175.005 175.900 -0.119 0.000 1.179 216 Y CA 2.968 61.029 58.100 -0.066 0.000 1.161 216 Y CB -1.178 37.216 38.460 -0.112 0.000 0.970 216 Y HN 0.518 8.798 8.280 0.000 0.000 0.511 217 P HA -0.159 4.261 4.420 0.000 0.000 0.220 217 P C 0.834 178.024 177.300 -0.183 0.000 1.148 217 P CA 1.719 64.507 63.100 -0.519 0.000 0.803 217 P CB -0.251 30.948 31.700 -0.834 0.000 0.782 218 Y N -1.528 118.824 120.300 0.085 0.000 2.544 218 Y HA 0.082 4.631 4.550 -0.002 0.000 0.286 218 Y C 1.733 177.416 175.900 -0.361 0.000 1.141 218 Y CA 0.588 58.686 58.100 -0.004 0.000 1.299 218 Y CB -0.830 37.692 38.460 0.104 0.000 1.030 218 Y HN -0.087 8.193 8.280 0.000 0.000 0.543 219 T N -1.460 112.936 114.554 -0.263 0.000 2.771 219 T HA 0.115 4.463 4.350 -0.003 0.000 0.290 219 T C -0.767 173.558 174.700 -0.625 0.000 1.005 219 T CA -0.209 61.664 62.100 -0.379 0.000 0.944 219 T CB 0.364 69.162 68.868 -0.117 0.000 1.147 219 T HN 0.064 8.304 8.240 0.000 0.000 0.534 220 Y N 0.060 120.327 120.300 -0.054 0.000 2.631 220 Y HA 0.405 4.954 4.550 -0.002 0.000 0.361 220 Y C 1.354 177.240 175.900 -0.023 0.000 0.941 220 Y CA -0.801 57.277 58.100 -0.037 0.000 1.327 220 Y CB 0.277 38.739 38.460 0.003 0.000 1.299 220 Y HN 0.718 8.998 8.280 0.000 0.000 0.578 221 G N -0.568 108.226 108.800 -0.011 0.000 2.986 221 G HA2 -0.005 3.953 3.960 -0.003 0.000 0.213 221 G HA3 -0.005 3.953 3.960 -0.003 0.000 0.213 221 G C 0.991 175.956 174.900 0.109 0.000 1.156 221 G CA 0.087 45.262 45.100 0.125 0.000 0.763 221 G HN 0.189 8.479 8.290 0.000 0.000 0.547 222 E N 0.226 120.440 120.200 0.023 0.000 2.624 222 E HA 0.218 4.566 4.350 -0.003 0.000 0.210 222 E C 1.447 178.058 176.600 0.019 0.000 0.997 222 E CA 0.178 56.598 56.400 0.034 0.000 0.999 222 E CB 0.474 30.179 29.700 0.008 0.000 1.040 222 E HN 0.320 8.680 8.360 0.000 0.000 0.469 223 G N 2.170 110.993 108.800 0.038 0.000 2.155 223 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.257 223 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.257 223 G C 0.522 175.435 174.900 0.021 0.000 0.983 223 G CA 1.013 46.119 45.100 0.010 0.000 0.676 223 G HN 0.358 8.648 8.290 0.000 0.000 0.528 224 T N -2.317 112.285 114.554 0.079 0.000 2.863 224 T HA 0.616 4.964 4.350 -0.003 0.000 0.285 224 T C -1.318 173.520 174.700 0.230 0.000 1.009 224 T CA -0.304 61.868 62.100 0.119 0.000 0.989 224 T CB 3.041 71.983 68.868 0.123 0.000 1.004 224 T HN 0.114 8.354 8.240 0.000 0.000 0.455 225 D N 1.913 122.453 120.400 0.233 0.000 2.469 225 D HA 0.245 4.884 4.640 -0.003 0.000 0.251 225 D C 0.243 176.690 176.300 0.245 0.000 1.173 225 D CA -0.960 53.233 54.000 0.323 0.000 0.882 225 D CB 1.088 42.004 40.800 0.194 0.000 1.129 225 D HN 0.428 8.798 8.370 0.000 0.000 0.549 226 F N 3.945 123.967 119.950 0.120 0.000 2.095 226 F HA -0.138 4.387 4.527 -0.003 0.000 0.298 226 F C 2.028 177.859 175.800 0.053 0.000 1.104 226 F CA 2.060 60.106 58.000 0.077 0.000 1.232 226 F CB 0.026 39.036 39.000 0.017 0.000 0.987 226 F HN 0.490 8.790 8.300 0.000 0.000 0.475 227 A N -0.127 122.751 122.820 0.098 0.000 1.930 227 A HA -0.165 4.154 4.320 -0.003 0.000 0.217 227 A C 2.238 179.786 177.584 -0.061 0.000 1.175 227 A CA 1.619 53.644 52.037 -0.020 0.000 0.627 227 A CB -0.582 18.445 19.000 0.046 0.000 0.815 227 A HN 0.445 8.595 8.150 0.000 0.000 0.443 228 K N -0.251 120.140 120.400 -0.016 0.000 2.057 228 K HA -0.093 4.225 4.320 -0.003 0.000 0.206 228 K C 1.611 178.179 176.600 -0.053 0.000 1.050 228 K CA 1.273 57.544 56.287 -0.027 0.000 0.935 228 K CB -0.205 32.291 32.500 -0.007 0.000 0.715 228 K HN 0.379 8.629 8.250 0.000 0.000 0.439 229 N N 0.879 119.537 118.700 -0.070 0.000 2.142 229 N HA -0.131 4.608 4.740 -0.003 0.000 0.186 229 N C 1.917 177.339 175.510 -0.148 0.000 1.023 229 N CA 1.515 54.516 53.050 -0.081 0.000 0.852 229 N CB -0.383 38.072 38.487 -0.052 0.000 0.998 229 N HN 0.146 8.526 8.380 0.000 0.000 0.424 230 V N -0.812 118.930 119.914 -0.287 0.000 2.970 230 V HA -0.050 4.069 4.120 -0.003 0.000 0.260 230 V C 1.598 177.618 176.094 -0.123 0.000 1.100 230 V CA 1.168 63.315 62.300 -0.255 0.000 1.122 230 V CB -0.640 30.932 31.823 -0.419 0.000 0.721 230 V HN 0.182 8.372 8.190 0.000 0.000 0.483 231 Q N 0.404 120.146 119.800 -0.097 0.000 2.451 231 Q HA 0.305 4.644 4.340 -0.003 0.000 0.206 231 Q C 0.589 176.566 176.000 -0.037 0.000 0.947 231 Q CA 0.161 55.931 55.803 -0.054 0.000 0.937 231 Q CB 0.088 28.799 28.738 -0.045 0.000 1.025 231 Q HN 0.616 8.886 8.270 0.000 0.000 0.511 232 I N 2.182 122.728 120.570 -0.040 0.000 2.668 232 I HA -0.127 4.041 4.170 -0.003 0.000 0.285 232 I C 1.304 177.410 176.117 -0.018 0.000 1.168 232 I CA 0.339 61.623 61.300 -0.026 0.000 1.424 232 I CB 0.587 38.572 38.000 -0.024 0.000 1.377 232 I HN 0.066 8.276 8.210 0.000 0.000 0.560 233 K N 3.277 123.670 120.400 -0.012 0.000 2.147 233 K HA -0.111 4.208 4.320 -0.003 0.000 0.205 233 K C 1.620 178.220 176.600 0.001 0.000 1.049 233 K CA 1.554 57.837 56.287 -0.006 0.000 0.936 233 K CB -0.090 32.407 32.500 -0.006 0.000 0.722 233 K HN 0.747 8.997 8.250 0.000 0.000 0.446 234 S N 0.509 116.207 115.700 -0.003 0.000 2.631 234 S HA 0.155 4.623 4.470 -0.003 0.000 0.217 234 S C 0.516 175.120 174.600 0.006 0.000 0.958 234 S CA -0.226 57.977 58.200 0.004 0.000 0.920 234 S CB -0.190 63.010 63.200 -0.001 0.000 0.776 234 S HN 0.066 8.376 8.310 0.000 0.000 0.517 235 L N 1.942 123.161 121.223 -0.005 0.000 2.296 235 L HA 0.446 4.785 4.340 -0.003 0.000 0.286 235 L C 0.258 177.128 176.870 -0.000 0.000 1.023 235 L CA -0.555 54.269 54.840 -0.027 0.000 0.812 235 L CB 1.361 43.390 42.059 -0.049 0.000 1.223 235 L HN 0.065 8.295 8.230 0.000 0.000 0.421 236 D N 2.802 123.215 120.400 0.021 0.000 2.305 236 D HA 0.072 4.710 4.640 -0.003 0.000 0.206 236 D C -0.104 176.377 176.300 0.301 0.000 0.974 236 D CA 1.087 55.181 54.000 0.157 0.000 0.871 236 D CB 0.510 41.465 40.800 0.258 0.000 0.947 236 D HN 0.343 8.713 8.370 0.000 0.000 0.516 237 F N -1.333 118.725 119.950 0.180 0.000 2.686 237 F HA 0.638 5.163 4.527 -0.003 0.000 0.311 237 F C -0.253 175.690 175.800 0.240 0.000 1.128 237 F CA -1.503 56.635 58.000 0.229 0.000 0.946 237 F CB 1.059 40.303 39.000 0.407 0.000 1.336 237 F HN -0.231 8.069 8.300 0.000 0.000 0.457 238 G N -0.095 108.994 108.800 0.481 0.000 2.434 238 G HA2 0.601 4.559 3.960 -0.003 0.000 0.330 238 G HA3 0.601 4.559 3.960 -0.003 0.000 0.330 238 G C -1.232 174.060 174.900 0.654 0.000 1.155 238 G CA -0.567 44.771 45.100 0.397 0.000 0.917 238 G HN 0.993 9.283 8.290 0.000 0.000 0.493 239 T N -1.633 113.282 114.554 0.601 0.000 2.908 239 T HA 0.779 5.127 4.350 -0.003 0.000 0.290 239 T C -0.738 174.337 174.700 0.625 0.000 1.034 239 T CA -0.747 61.691 62.100 0.563 0.000 1.010 239 T CB 1.637 70.776 68.868 0.453 0.000 1.068 239 T HN 1.082 9.322 8.240 0.000 0.000 0.481 240 F N -1.264 118.922 119.950 0.393 0.000 2.641 240 F HA 0.726 5.251 4.527 -0.003 0.000 0.308 240 F C -0.930 175.224 175.800 0.590 0.000 1.105 240 F CA -1.234 56.900 58.000 0.224 0.000 0.964 240 F CB 1.094 39.850 39.000 -0.407 0.000 1.294 240 F HN 0.786 9.086 8.300 0.000 0.000 0.442 241 H N 1.262 120.706 119.070 0.624 0.000 2.797 241 H HA 0.839 5.393 4.556 -0.003 0.000 0.362 241 H C -1.713 173.899 175.328 0.475 0.000 1.183 241 H CA -1.461 54.873 56.048 0.477 0.000 1.197 241 H CB 2.827 32.864 29.762 0.459 0.000 1.835 241 H HN 0.719 8.999 8.280 0.000 0.000 0.567 242 L N 1.773 122.969 121.223 -0.045 0.000 2.580 242 L HA 0.283 4.622 4.340 -0.003 0.000 0.266 242 L C -2.176 173.985 176.870 -1.181 0.000 0.955 242 L CA -0.370 54.128 54.840 -0.571 0.000 0.886 242 L CB 0.852 42.803 42.059 -0.181 0.000 1.263 242 L HN 0.581 8.811 8.230 0.000 0.000 0.406 243 Y N 6.285 125.729 120.300 -1.426 0.000 2.541 243 Y HA 0.408 4.958 4.550 0.000 0.000 0.350 243 Y C -2.130 173.264 175.900 -0.844 0.000 1.075 243 Y CA -1.427 56.106 58.100 -0.945 0.000 1.302 243 Y CB 1.380 39.283 38.460 -0.928 0.000 1.094 243 Y HN 0.479 8.759 8.280 0.000 0.000 0.579 244 P HA -0.145 4.275 4.420 0.000 0.000 0.216 244 P C 1.031 178.303 177.300 -0.047 0.000 1.150 244 P CA 1.641 64.697 63.100 -0.074 0.000 0.837 244 P CB 0.530 32.313 31.700 0.139 0.000 0.786 245 D N -1.130 119.323 120.400 0.088 0.000 2.117 245 D HA -0.126 4.512 4.640 -0.003 0.000 0.197 245 D C 2.031 178.366 176.300 0.059 0.000 0.987 245 D CA 1.394 55.444 54.000 0.084 0.000 0.829 245 D CB -0.581 40.358 40.800 0.232 0.000 0.961 245 D HN 0.146 8.516 8.370 0.000 0.000 0.460 246 S N -0.574 115.159 115.700 0.055 0.000 2.436 246 S HA -0.098 4.370 4.470 -0.003 0.000 0.228 246 S C 1.275 176.028 174.600 0.254 0.000 1.014 246 S CA 0.436 58.692 58.200 0.093 0.000 0.950 246 S CB -0.131 63.081 63.200 0.020 0.000 0.784 246 S HN 0.245 8.555 8.310 0.000 0.000 0.504 247 W N 1.171 122.435 121.300 -0.062 0.000 3.290 247 W HA 0.488 5.145 4.660 -0.005 0.000 0.287 247 W C 1.634 178.023 176.519 -0.217 0.000 1.288 247 W CA -0.311 56.947 57.345 -0.145 0.000 1.725 247 W CB -1.247 28.062 29.460 -0.252 0.000 1.103 247 W HN 0.433 8.613 8.180 0.000 0.000 0.670 248 G N 1.326 110.133 108.800 0.012 0.000 2.160 248 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.251 248 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.251 248 G C 0.372 175.155 174.900 -0.196 0.000 1.008 248 G CA 0.750 45.799 45.100 -0.085 0.000 0.724 248 G HN 0.284 8.574 8.290 0.000 0.000 0.514 249 T N -1.930 112.449 114.554 -0.291 0.000 2.949 249 T HA 0.666 5.015 4.350 -0.003 0.000 0.287 249 T C 0.240 174.784 174.700 -0.260 0.000 1.034 249 T CA -0.150 61.678 62.100 -0.454 0.000 1.018 249 T CB 1.766 69.959 68.868 -1.125 0.000 1.135 249 T HN 0.718 8.958 8.240 0.000 0.000 0.532 250 N N -0.326 118.291 118.700 -0.138 0.000 2.463 250 N HA 0.206 4.945 4.740 -0.003 0.000 0.270 250 N C 0.291 175.882 175.510 0.135 0.000 1.205 250 N CA -0.785 52.221 53.050 -0.073 0.000 0.974 250 N CB -0.016 38.484 38.487 0.022 0.000 1.197 250 N HN 0.541 8.921 8.380 0.000 0.000 0.504 251 Y N -0.839 119.641 120.300 0.300 0.000 2.224 251 Y HA -0.111 4.437 4.550 -0.004 0.000 0.289 251 Y C 2.517 178.775 175.900 0.596 0.000 1.146 251 Y CA 1.311 59.707 58.100 0.493 0.000 1.182 251 Y CB -0.845 37.811 38.460 0.327 0.000 0.983 251 Y HN 0.654 8.934 8.280 0.000 0.000 0.524 252 T N -0.899 113.985 114.554 0.550 0.000 3.035 252 T HA -0.198 4.150 4.350 -0.003 0.000 0.268 252 T C 1.530 176.485 174.700 0.426 0.000 1.109 252 T CA 0.830 63.200 62.100 0.450 0.000 1.119 252 T CB -0.483 68.560 68.868 0.292 0.000 0.900 252 T HN 0.634 8.874 8.240 0.000 0.000 0.503 253 W N 1.202 122.633 121.300 0.219 0.000 2.421 253 W HA 0.062 4.721 4.660 -0.001 0.000 0.270 253 W C 2.029 178.632 176.519 0.140 0.000 1.233 253 W CA 0.763 58.210 57.345 0.169 0.000 1.226 253 W CB -0.474 29.067 29.460 0.135 0.000 1.121 253 W HN 0.235 8.415 8.180 0.000 0.000 0.579 254 G N 0.877 109.842 108.800 0.274 0.000 2.450 254 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.220 254 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.220 254 G C 1.448 176.203 174.900 -0.242 0.000 1.130 254 G CA 1.224 46.191 45.100 -0.222 0.000 0.760 254 G HN 0.314 8.604 8.290 0.000 0.000 0.557 255 N N 1.157 119.857 118.700 -0.000 0.000 2.084 255 N HA -0.105 4.633 4.740 -0.003 0.000 0.190 255 N C 2.411 177.860 175.510 -0.101 0.000 1.030 255 N CA 1.388 54.437 53.050 -0.002 0.000 0.849 255 N CB -0.628 37.924 38.487 0.108 0.000 1.012 255 N HN 0.327 8.707 8.380 0.000 0.000 0.423 256 G N 0.619 109.344 108.800 -0.125 0.000 2.422 256 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.218 256 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.218 256 G C 1.275 176.057 174.900 -0.196 0.000 1.140 256 G CA 0.061 45.066 45.100 -0.159 0.000 0.775 256 G HN 0.414 8.704 8.290 0.000 0.000 0.545 257 W N 1.064 122.020 121.300 -0.572 0.000 2.358 257 W HA -0.094 4.565 4.660 -0.001 0.000 0.303 257 W C 2.120 178.329 176.519 -0.517 0.000 1.208 257 W CA 1.010 58.000 57.345 -0.592 0.000 1.274 257 W CB -0.116 28.821 29.460 -0.871 0.000 1.138 257 W HN 0.232 8.412 8.180 0.000 0.000 0.515 258 I N 0.886 121.204 120.570 -0.421 0.000 2.163 258 I HA -0.370 3.798 4.170 -0.003 0.000 0.240 258 I C 2.654 178.527 176.117 -0.406 0.000 1.081 258 I CA 1.658 62.643 61.300 -0.525 0.000 1.353 258 I CB -0.793 36.993 38.000 -0.357 0.000 1.054 258 I HN -0.009 8.201 8.210 0.000 0.000 0.407 259 Q N 0.217 119.865 119.800 -0.254 0.000 2.061 259 Q HA -0.227 4.112 4.340 -0.003 0.000 0.204 259 Q C 2.318 178.181 176.000 -0.228 0.000 0.984 259 Q CA 2.513 58.208 55.803 -0.180 0.000 0.846 259 Q CB -0.464 28.200 28.738 -0.123 0.000 0.902 259 Q HN 0.664 8.934 8.270 0.000 0.000 0.421 260 T N -2.039 112.337 114.554 -0.297 0.000 2.788 260 T HA -0.188 4.161 4.350 -0.003 0.000 0.268 260 T C 1.368 175.770 174.700 -0.496 0.000 1.044 260 T CA 1.609 63.498 62.100 -0.351 0.000 1.139 260 T CB -0.436 68.222 68.868 -0.350 0.000 0.867 260 T HN 0.322 8.562 8.240 0.000 0.000 0.454 261 H N 1.834 120.458 119.070 -0.743 0.000 2.326 261 H HA 0.377 4.931 4.556 -0.002 0.000 0.301 261 H C 2.749 177.914 175.328 -0.271 0.000 1.081 261 H CA 1.432 56.981 56.048 -0.831 0.000 1.334 261 H CB -0.712 27.943 29.762 -1.845 0.000 1.385 261 H HN 0.517 8.797 8.280 0.000 0.000 0.504 262 A N 0.960 123.700 122.820 -0.134 0.000 1.917 262 A HA -0.216 4.103 4.320 -0.003 0.000 0.219 262 A C 2.517 180.128 177.584 0.045 0.000 1.182 262 A CA 1.946 54.016 52.037 0.055 0.000 0.633 262 A CB -1.195 17.834 19.000 0.049 0.000 0.819 262 A HN 0.491 8.641 8.150 0.000 0.000 0.448 263 A N -0.554 122.247 122.820 -0.032 0.000 1.969 263 A HA 0.231 4.549 4.320 -0.003 0.000 0.218 263 A C 2.434 180.024 177.584 0.009 0.000 1.169 263 A CA 1.878 53.903 52.037 -0.019 0.000 0.635 263 A CB -0.806 18.157 19.000 -0.061 0.000 0.810 263 A HN 1.043 9.193 8.150 0.000 0.000 0.445 264 A N -1.194 121.642 122.820 0.028 0.000 1.929 264 A HA -0.089 4.229 4.320 -0.003 0.000 0.216 264 A C 2.264 179.919 177.584 0.119 0.000 1.176 264 A CA 1.450 53.539 52.037 0.087 0.000 0.628 264 A CB -1.126 17.983 19.000 0.181 0.000 0.816 264 A HN 0.558 8.708 8.150 0.000 0.000 0.444 265 c N -1.297 117.424 118.600 0.201 0.000 2.436 265 c HA -0.079 4.489 4.570 -0.003 0.000 0.277 265 c C 2.512 176.662 174.090 0.100 0.000 1.241 265 c CA 1.255 57.688 56.329 0.174 0.000 1.721 265 c CB -1.278 41.399 42.510 0.277 0.000 2.043 265 c HN 0.665 8.895 8.230 0.000 0.000 0.472 266 L N 1.636 122.911 121.223 0.087 0.000 2.131 266 L HA 0.011 4.349 4.340 -0.003 0.000 0.210 266 L C 2.440 179.329 176.870 0.031 0.000 1.092 266 L CA 2.116 56.988 54.840 0.053 0.000 0.759 266 L CB -0.800 41.286 42.059 0.046 0.000 0.903 266 L HN 0.274 8.504 8.230 0.000 0.000 0.435 267 A N -0.761 122.074 122.820 0.026 0.000 2.015 267 A HA 0.074 4.393 4.320 -0.003 0.000 0.219 267 A C 2.243 179.831 177.584 0.007 0.000 1.163 267 A CA 1.215 53.258 52.037 0.011 0.000 0.646 267 A CB -0.792 18.210 19.000 0.003 0.000 0.806 267 A HN 0.497 8.647 8.150 0.000 0.000 0.448 268 A N -1.689 121.137 122.820 0.011 0.000 2.251 268 A HA 0.427 4.746 4.320 -0.003 0.000 0.209 268 A C 1.685 179.275 177.584 0.011 0.000 1.187 268 A CA 1.059 53.097 52.037 0.002 0.000 0.823 268 A CB -0.878 18.113 19.000 -0.015 0.000 0.846 268 A HN 1.806 9.956 8.150 0.000 0.000 0.486 269 G N -0.631 108.180 108.800 0.018 0.000 2.160 269 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.251 269 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.251 269 G C 0.055 174.968 174.900 0.021 0.000 1.008 269 G CA 0.802 45.911 45.100 0.016 0.000 0.724 269 G HN 0.614 8.904 8.290 0.000 0.000 0.514 270 K N -0.226 120.199 120.400 0.042 0.000 2.444 270 K HA 0.611 4.930 4.320 -0.003 0.000 0.252 270 K C -2.849 173.801 176.600 0.083 0.000 0.993 270 K CA -2.309 54.013 56.287 0.059 0.000 0.847 270 K CB 2.640 35.200 32.500 0.101 0.000 1.340 270 K HN -0.045 8.205 8.250 0.000 0.000 0.446 271 P HA 0.234 4.654 4.420 0.000 0.000 0.276 271 P C -0.765 176.727 177.300 0.321 0.000 1.244 271 P CA -0.611 62.541 63.100 0.087 0.000 0.801 271 P CB 0.654 32.217 31.700 -0.229 0.000 1.006 272 c N 1.295 120.124 118.600 0.382 0.000 2.391 272 c HA 0.527 5.095 4.570 -0.003 0.000 0.339 272 c C -0.100 174.280 174.090 0.483 0.000 1.205 272 c CA -0.274 56.380 56.329 0.541 0.000 1.937 272 c CB 1.114 43.997 42.510 0.622 0.000 2.341 272 c HN 0.267 8.497 8.230 0.000 0.000 0.516 273 V N 4.110 124.320 119.914 0.493 0.000 2.384 273 V HA 0.273 4.391 4.120 -0.003 0.000 0.287 273 V C -0.272 175.843 176.094 0.034 0.000 1.020 273 V CA -0.416 62.042 62.300 0.262 0.000 0.850 273 V CB 1.196 33.199 31.823 0.301 0.000 0.987 273 V HN 0.716 8.906 8.190 0.000 0.000 0.436 274 F N 4.662 124.406 119.950 -0.343 0.000 2.566 274 F HA 0.292 4.817 4.527 -0.003 0.000 0.349 274 F C 1.199 176.892 175.800 -0.178 0.000 1.245 274 F CA -0.539 57.044 58.000 -0.694 0.000 1.169 274 F CB 0.199 38.985 39.000 -0.357 0.000 1.470 274 F HN 0.762 9.062 8.300 0.000 0.000 0.634 275 E N 2.533 122.749 120.200 0.027 0.000 2.230 275 E HA 0.019 4.367 4.350 -0.003 0.000 0.192 275 E C -0.274 176.260 176.600 -0.110 0.000 0.987 275 E CA 0.591 57.026 56.400 0.058 0.000 0.841 275 E CB 0.406 30.289 29.700 0.305 0.000 0.783 275 E HN 0.674 9.034 8.360 0.000 0.000 0.481 276 E N -1.065 119.018 120.200 -0.195 0.000 2.343 276 E HA 0.325 4.673 4.350 -0.003 0.000 0.278 276 E C -1.681 174.728 176.600 -0.319 0.000 0.910 276 E CA -0.804 55.418 56.400 -0.297 0.000 0.757 276 E CB 1.927 31.390 29.700 -0.394 0.000 1.218 276 E HN 0.107 8.467 8.360 0.000 0.000 0.435 277 Y N -1.273 118.776 120.300 -0.418 0.000 2.604 277 Y HA 0.778 5.327 4.550 -0.002 0.000 0.331 277 Y C -0.572 175.193 175.900 -0.224 0.000 1.158 277 Y CA -0.997 56.779 58.100 -0.541 0.000 1.056 277 Y CB 1.477 39.745 38.460 -0.320 0.000 1.330 277 Y HN 0.632 8.912 8.280 0.000 0.000 0.457 278 G N 0.112 108.901 108.800 -0.019 0.000 2.632 278 G HA2 0.748 4.706 3.960 -0.003 0.000 0.292 278 G HA3 0.748 4.706 3.960 -0.003 0.000 0.292 278 G C -2.228 172.995 174.900 0.539 0.000 1.465 278 G CA -0.473 44.813 45.100 0.309 0.000 0.824 278 G HN 1.332 9.622 8.290 0.000 0.000 0.509 279 A N 0.128 123.245 122.820 0.495 0.000 2.356 279 A HA 0.696 5.014 4.320 -0.003 0.000 0.310 279 A C 0.582 178.360 177.584 0.323 0.000 1.075 279 A CA -0.442 51.812 52.037 0.361 0.000 0.746 279 A CB 1.806 20.611 19.000 -0.326 0.000 1.221 279 A HN 0.635 8.785 8.150 0.000 0.000 0.443 280 Q N 0.293 120.296 119.800 0.337 0.000 2.123 280 Q HA -0.055 4.283 4.340 -0.003 0.000 0.199 280 Q C 0.089 176.115 176.000 0.044 0.000 0.966 280 Q CA 0.961 56.793 55.803 0.048 0.000 0.845 280 Q CB 0.116 28.855 28.738 0.003 0.000 0.907 280 Q HN 0.719 8.989 8.270 0.000 0.000 0.439 281 Q N 0.842 120.707 119.800 0.108 0.000 2.256 281 Q HA 0.188 4.526 4.340 -0.003 0.000 0.257 281 Q C -0.736 175.219 176.000 -0.076 0.000 0.936 281 Q CA -0.296 55.536 55.803 0.050 0.000 0.903 281 Q CB 1.274 30.106 28.738 0.158 0.000 1.263 281 Q HN 0.266 8.536 8.270 0.000 0.000 0.440 282 N N 1.862 120.520 118.700 -0.071 0.000 2.669 282 N HA -0.192 4.547 4.740 -0.003 0.000 0.266 282 N C -2.043 173.347 175.510 -0.201 0.000 1.024 282 N CA 0.252 53.234 53.050 -0.113 0.000 0.766 282 N CB -0.523 37.905 38.487 -0.098 0.000 0.898 282 N HN 0.457 8.837 8.380 0.000 0.000 0.548 283 P HA -0.208 4.212 4.420 0.000 0.000 0.218 283 P C 1.585 178.746 177.300 -0.231 0.000 1.149 283 P CA 0.816 63.794 63.100 -0.204 0.000 0.817 283 P CB 0.059 31.706 31.700 -0.088 0.000 0.785 284 c N -0.093 118.403 118.600 -0.173 0.000 2.432 284 c HA -0.105 4.464 4.570 -0.003 0.000 0.277 284 c C 2.807 176.775 174.090 -0.202 0.000 1.249 284 c CA 1.993 58.219 56.329 -0.172 0.000 1.725 284 c CB -1.813 40.623 42.510 -0.123 0.000 2.028 284 c HN 0.218 8.448 8.230 0.000 0.000 0.477 285 T N 1.209 115.647 114.554 -0.193 0.000 2.777 285 T HA -0.103 4.245 4.350 -0.003 0.000 0.266 285 T C 1.587 176.110 174.700 -0.295 0.000 1.040 285 T CA 1.815 63.798 62.100 -0.194 0.000 1.141 285 T CB -0.357 68.424 68.868 -0.143 0.000 0.868 285 T HN 0.586 8.826 8.240 0.000 0.000 0.444 286 N N 0.792 119.233 118.700 -0.432 0.000 2.376 286 N HA 0.025 4.763 4.740 -0.003 0.000 0.177 286 N C 1.689 176.537 175.510 -1.103 0.000 1.024 286 N CA 0.673 53.320 53.050 -0.671 0.000 0.893 286 N CB 0.079 37.999 38.487 -0.944 0.000 0.980 286 N HN 0.568 8.948 8.380 0.000 0.000 0.439 287 E N 0.507 120.171 120.200 -0.895 0.000 2.364 287 E HA 0.198 4.547 4.350 -0.003 0.000 0.196 287 E C 1.739 178.043 176.600 -0.492 0.000 0.990 287 E CA 0.125 55.968 56.400 -0.928 0.000 0.886 287 E CB 0.181 29.677 29.700 -0.340 0.000 0.866 287 E HN 0.209 8.569 8.360 0.000 0.000 0.493 288 A N 2.474 125.079 122.820 -0.359 0.000 1.940 288 A HA -0.104 4.214 4.320 -0.003 0.000 0.219 288 A C -0.341 177.137 177.584 -0.178 0.000 1.176 288 A CA 1.148 53.047 52.037 -0.231 0.000 0.631 288 A CB -1.263 17.630 19.000 -0.178 0.000 0.814 288 A HN 0.122 8.272 8.150 0.000 0.000 0.446 289 P HA -0.130 4.290 4.420 0.000 0.000 0.218 289 P C 0.999 178.357 177.300 0.097 0.000 1.149 289 P CA 0.887 63.955 63.100 -0.055 0.000 0.817 289 P CB -0.164 31.506 31.700 -0.050 0.000 0.785 290 W N 0.459 121.735 121.300 -0.041 0.000 2.358 290 W HA -0.044 4.613 4.660 -0.004 0.000 0.303 290 W C 2.247 178.744 176.519 -0.036 0.000 1.208 290 W CA 0.776 58.103 57.345 -0.030 0.000 1.274 290 W CB -1.758 27.698 29.460 -0.007 0.000 1.138 290 W HN 0.166 8.346 8.180 0.000 0.000 0.515 291 Q N -0.650 119.192 119.800 0.070 0.000 2.084 291 Q HA -0.137 4.201 4.340 -0.003 0.000 0.202 291 Q C 2.037 178.048 176.000 0.018 0.000 0.978 291 Q CA 2.268 58.012 55.803 -0.098 0.000 0.844 291 Q CB -0.707 27.698 28.738 -0.555 0.000 0.898 291 Q HN 0.152 8.422 8.270 0.000 0.000 0.426 292 T N 0.425 114.986 114.554 0.012 0.000 2.777 292 T HA -0.120 4.229 4.350 -0.003 0.000 0.266 292 T C 1.948 176.669 174.700 0.035 0.000 1.040 292 T CA 1.635 63.752 62.100 0.028 0.000 1.141 292 T CB -0.349 68.526 68.868 0.013 0.000 0.868 292 T HN 0.319 8.559 8.240 0.000 0.000 0.444 293 T N 1.442 116.034 114.554 0.064 0.000 2.684 293 T HA -0.129 4.219 4.350 -0.003 0.000 0.267 293 T C 2.312 177.040 174.700 0.046 0.000 1.036 293 T CA 1.545 63.673 62.100 0.048 0.000 1.148 293 T CB -0.510 68.393 68.868 0.058 0.000 0.863 293 T HN 0.363 8.603 8.240 0.000 0.000 0.436 294 S N 0.801 116.558 115.700 0.095 0.000 2.359 294 S HA -0.090 4.378 4.470 -0.003 0.000 0.224 294 S C 1.987 176.658 174.600 0.119 0.000 1.035 294 S CA 0.944 59.251 58.200 0.179 0.000 1.018 294 S CB -0.494 62.935 63.200 0.382 0.000 0.876 294 S HN 0.316 8.626 8.310 0.000 0.000 0.448 295 L N 1.984 123.161 121.223 -0.077 0.000 2.191 295 L HA 0.019 4.357 4.340 -0.003 0.000 0.212 295 L C 2.059 178.781 176.870 -0.247 0.000 1.103 295 L CA 2.378 56.916 54.840 -0.503 0.000 0.769 295 L CB -1.042 40.787 42.059 -0.383 0.000 0.908 295 L HN 0.585 8.815 8.230 0.000 0.000 0.438 296 T N -4.615 109.887 114.554 -0.087 0.000 3.176 296 T HA 0.215 4.564 4.350 -0.003 0.000 0.263 296 T C 0.413 175.112 174.700 -0.002 0.000 1.021 296 T CA -0.186 61.889 62.100 -0.042 0.000 0.905 296 T CB -0.627 68.224 68.868 -0.028 0.000 1.057 296 T HN 0.182 8.422 8.240 0.000 0.000 0.558 297 T N 2.757 117.327 114.554 0.026 0.000 2.786 297 T HA 0.425 4.774 4.350 -0.003 0.000 0.283 297 T C 0.057 174.798 174.700 0.068 0.000 0.992 297 T CA -0.756 61.368 62.100 0.039 0.000 0.954 297 T CB 1.404 70.293 68.868 0.035 0.000 0.934 297 T HN 0.228 8.468 8.240 0.000 0.000 0.440 298 R N 1.484 122.015 120.500 0.051 0.000 2.570 298 R HA 0.358 4.696 4.340 -0.003 0.000 0.277 298 R C 1.401 177.747 176.300 0.077 0.000 1.039 298 R CA 1.263 57.400 56.100 0.062 0.000 1.065 298 R CB 0.280 30.604 30.300 0.039 0.000 0.964 298 R HN 1.082 9.352 8.270 0.000 0.000 0.428 299 G N 1.757 110.615 108.800 0.097 0.000 2.259 299 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.217 299 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.217 299 G C 0.055 175.062 174.900 0.179 0.000 1.001 299 G CA -0.504 44.667 45.100 0.118 0.000 0.627 299 G HN 0.381 8.671 8.290 0.000 0.000 0.501 300 M N 1.520 121.246 119.600 0.211 0.000 2.216 300 M HA 0.559 5.037 4.480 -0.003 0.000 0.356 300 M C 1.574 178.032 176.300 0.264 0.000 1.205 300 M CA 0.180 55.651 55.300 0.286 0.000 1.122 300 M CB 0.808 33.631 32.600 0.371 0.000 1.571 300 M HN 0.270 8.560 8.290 0.000 0.000 0.464 301 G N 1.217 110.136 108.800 0.198 0.000 2.762 301 G HA2 0.481 4.440 3.960 -0.003 0.000 0.209 301 G HA3 0.481 4.440 3.960 -0.003 0.000 0.209 301 G C 0.490 175.153 174.900 -0.395 0.000 1.134 301 G CA 0.432 45.633 45.100 0.169 0.000 0.781 301 G HN 0.904 9.194 8.290 0.000 0.000 0.528 302 G N -0.411 107.909 108.800 -0.800 0.000 2.356 302 G HA2 0.476 4.434 3.960 -0.003 0.000 0.294 302 G HA3 0.476 4.434 3.960 -0.003 0.000 0.294 302 G C -2.394 171.988 174.900 -0.864 0.000 1.423 302 G CA -0.108 43.837 45.100 -1.924 0.000 0.806 302 G HN 0.441 8.731 8.290 0.000 0.000 0.527 303 D N -2.049 117.971 120.400 -0.633 0.000 2.661 303 D HA 0.686 5.324 4.640 -0.003 0.000 0.228 303 D C -0.580 175.712 176.300 -0.013 0.000 1.183 303 D CA -0.758 53.206 54.000 -0.060 0.000 0.844 303 D CB 1.907 42.900 40.800 0.322 0.000 1.555 303 D HN 0.510 8.880 8.370 0.000 0.000 0.453 304 M N 1.926 121.513 119.600 -0.021 0.000 2.124 304 M HA 0.334 4.813 4.480 -0.003 0.000 0.280 304 M C -1.219 174.814 176.300 -0.445 0.000 0.954 304 M CA -0.968 54.236 55.300 -0.159 0.000 0.958 304 M CB 1.614 34.101 32.600 -0.189 0.000 1.611 304 M HN 0.499 8.789 8.290 0.000 0.000 0.449 305 F N 0.712 120.301 119.950 -0.603 0.000 2.450 305 F HA 0.407 4.932 4.527 -0.004 0.000 0.339 305 F C -0.534 174.981 175.800 -0.475 0.000 1.146 305 F CA -0.528 56.807 58.000 -1.108 0.000 1.267 305 F CB 0.587 39.179 39.000 -0.681 0.000 1.178 305 F HN 0.658 8.958 8.300 0.000 0.000 0.585 306 W N 6.463 127.515 121.300 -0.413 0.000 2.283 306 W HA 0.444 5.101 4.660 -0.005 0.000 0.317 306 W C -1.506 175.084 176.519 0.118 0.000 1.042 306 W CA -0.563 56.698 57.345 -0.141 0.000 1.348 306 W CB 1.080 30.501 29.460 -0.064 0.000 1.216 306 W HN 0.934 9.114 8.180 0.000 0.000 0.404 307 Q N 4.730 124.505 119.800 -0.042 0.000 2.630 307 Q HA 0.238 4.576 4.340 -0.003 0.000 0.295 307 Q C -1.249 174.702 176.000 -0.082 0.000 0.944 307 Q CA -0.950 54.559 55.803 -0.491 0.000 0.766 307 Q CB 1.626 29.637 28.738 -1.212 0.000 1.471 307 Q HN 0.469 8.739 8.270 0.000 0.000 0.416 308 W N 1.206 122.290 121.300 -0.359 0.000 2.181 308 W HA 0.533 5.192 4.660 -0.003 0.000 0.335 308 W C -0.558 175.989 176.519 0.046 0.000 1.310 308 W CA 1.042 58.360 57.345 -0.045 0.000 1.226 308 W CB 1.417 30.777 29.460 -0.166 0.000 1.155 308 W HN 0.857 9.037 8.180 0.000 0.000 0.565 309 G N 4.054 112.579 108.800 -0.458 0.000 2.495 309 G HA2 0.405 4.364 3.960 -0.003 0.000 0.318 309 G HA3 0.405 4.364 3.960 -0.003 0.000 0.318 309 G C -1.731 173.041 174.900 -0.214 0.000 1.257 309 G CA -0.322 44.421 45.100 -0.595 0.000 0.962 309 G HN 0.452 8.742 8.290 0.000 0.000 0.483 310 D N -0.945 119.522 120.400 0.112 0.000 2.677 310 D HA 0.697 5.335 4.640 -0.003 0.000 0.298 310 D C -0.520 175.704 176.300 -0.127 0.000 1.250 310 D CA -0.125 54.010 54.000 0.224 0.000 0.888 310 D CB 2.452 43.589 40.800 0.560 0.000 1.397 310 D HN 0.633 9.003 8.370 0.000 0.000 0.461 311 T N -1.896 112.517 114.554 -0.236 0.000 2.896 311 T HA 0.747 5.096 4.350 -0.003 0.000 0.297 311 T C -0.866 173.596 174.700 -0.397 0.000 1.108 311 T CA -0.593 61.173 62.100 -0.557 0.000 1.004 311 T CB 1.035 69.746 68.868 -0.263 0.000 1.159 311 T HN 0.159 8.399 8.240 0.000 0.000 0.499 312 F N -0.035 119.968 119.950 0.088 0.000 2.572 312 F HA 0.787 5.312 4.527 -0.004 0.000 0.342 312 F C 1.755 177.589 175.800 0.057 0.000 1.064 312 F CA -1.485 56.562 58.000 0.079 0.000 1.008 312 F CB 0.619 39.650 39.000 0.053 0.000 1.303 312 F HN 0.810 9.110 8.300 0.000 0.000 0.492 313 A N 0.753 123.732 122.820 0.264 0.000 2.024 313 A HA -0.195 4.124 4.320 -0.003 0.000 0.220 313 A C 1.678 179.327 177.584 0.107 0.000 1.164 313 A CA 1.924 54.049 52.037 0.146 0.000 0.643 313 A CB -1.056 18.010 19.000 0.109 0.000 0.806 313 A HN 0.739 8.889 8.150 0.000 0.000 0.451 314 N N -1.105 117.671 118.700 0.126 0.000 2.398 314 N HA 0.207 4.945 4.740 -0.003 0.000 0.188 314 N C 1.012 176.562 175.510 0.068 0.000 1.122 314 N CA 1.223 54.322 53.050 0.082 0.000 0.866 314 N CB -0.304 38.228 38.487 0.076 0.000 0.970 314 N HN 0.785 9.165 8.380 0.000 0.000 0.462 315 G N -1.268 107.573 108.800 0.067 0.000 2.175 315 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.244 315 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.244 315 G C 0.224 175.122 174.900 -0.002 0.000 0.982 315 G CA 0.160 45.266 45.100 0.010 0.000 0.641 315 G HN 0.810 9.100 8.290 0.000 0.000 0.527 316 A N 0.285 123.148 122.820 0.072 0.000 2.351 316 A HA 0.666 4.985 4.320 -0.003 0.000 0.257 316 A C 0.654 178.180 177.584 -0.097 0.000 1.087 316 A CA 0.690 52.767 52.037 0.068 0.000 0.798 316 A CB 0.340 19.473 19.000 0.222 0.000 1.033 316 A HN 1.164 9.314 8.150 0.000 0.000 0.488 317 Q N 1.168 120.883 119.800 -0.142 0.000 2.205 317 Q HA 0.579 4.917 4.340 -0.003 0.000 0.249 317 Q C 0.041 175.901 176.000 -0.232 0.000 0.948 317 Q CA -0.278 55.363 55.803 -0.270 0.000 0.895 317 Q CB 0.990 29.611 28.738 -0.195 0.000 1.249 317 Q HN 0.787 9.057 8.270 0.000 0.000 0.458 318 S N 1.576 117.021 115.700 -0.425 0.000 2.608 318 S HA 0.162 4.631 4.470 -0.003 0.000 0.261 318 S C 0.114 174.417 174.600 -0.494 0.000 1.314 318 S CA -0.661 57.176 58.200 -0.605 0.000 0.992 318 S CB 0.199 62.492 63.200 -1.512 0.000 0.935 318 S HN 0.666 8.976 8.310 0.000 0.000 0.564 319 N N 1.099 119.403 118.700 -0.661 0.000 2.374 319 N HA 0.359 5.097 4.740 -0.003 0.000 0.241 319 N C -0.112 175.122 175.510 -0.461 0.000 1.262 319 N CA 0.517 53.347 53.050 -0.367 0.000 0.880 319 N CB 0.388 38.752 38.487 -0.205 0.000 1.105 319 N HN 0.891 9.271 8.380 0.000 0.000 0.438 320 S N -1.082 114.556 115.700 -0.103 0.000 2.615 320 S HA 0.703 5.172 4.470 -0.003 0.000 0.269 320 S C -1.606 173.058 174.600 0.106 0.000 1.161 320 S CA -0.944 57.202 58.200 -0.091 0.000 0.817 320 S CB 2.159 65.290 63.200 -0.115 0.000 1.131 320 S HN 0.594 8.904 8.310 0.000 0.000 0.467 321 D N -1.181 119.291 120.400 0.120 0.000 2.752 321 D HA 0.545 5.183 4.640 -0.003 0.000 0.313 321 D C -2.749 173.609 176.300 0.097 0.000 1.225 321 D CA -1.431 52.674 54.000 0.175 0.000 0.976 321 D CB -0.131 40.873 40.800 0.340 0.000 1.443 321 D HN 0.271 8.641 8.370 0.000 0.000 0.515 322 P HA 0.025 4.445 4.420 0.000 0.000 0.231 322 P C 0.077 177.266 177.300 -0.184 0.000 1.158 322 P CA 0.967 63.978 63.100 -0.148 0.000 0.763 322 P CB -0.121 31.400 31.700 -0.298 0.000 0.805 323 Y N -2.163 118.248 120.300 0.185 0.000 2.458 323 Y HA 0.176 4.725 4.550 -0.002 0.000 0.256 323 Y C 0.973 176.936 175.900 0.104 0.000 1.159 323 Y CA -0.116 58.119 58.100 0.225 0.000 1.261 323 Y CB -0.866 37.887 38.460 0.489 0.000 1.119 323 Y HN -0.254 8.026 8.280 0.000 0.000 0.524 324 T N 1.463 116.052 114.554 0.059 0.000 2.916 324 T HA 0.235 4.584 4.350 -0.003 0.000 0.303 324 T C -0.018 174.505 174.700 -0.296 0.000 1.025 324 T CA 0.053 62.004 62.100 -0.249 0.000 1.142 324 T CB 0.856 69.329 68.868 -0.659 0.000 0.947 324 T HN -0.209 8.031 8.240 0.000 0.000 0.544 325 V N 4.748 124.519 119.914 -0.239 0.000 2.311 325 V HA 0.246 4.365 4.120 -0.003 0.000 0.275 325 V C -0.366 175.542 176.094 -0.310 0.000 1.022 325 V CA -1.074 61.111 62.300 -0.193 0.000 0.830 325 V CB 0.374 32.085 31.823 -0.187 0.000 1.012 325 V HN 0.849 9.039 8.190 0.000 0.000 0.452 326 W N 3.874 125.079 121.300 -0.159 0.000 2.253 326 W HA 0.318 4.974 4.660 -0.006 0.000 0.322 326 W C 0.393 176.707 176.519 -0.341 0.000 1.342 326 W CA -0.274 56.920 57.345 -0.251 0.000 1.218 326 W CB 0.247 29.588 29.460 -0.197 0.000 1.205 326 W HN 0.609 8.789 8.180 0.000 0.000 0.551 327 Y N 4.815 124.850 120.300 -0.441 0.000 2.805 327 Y HA -0.159 4.389 4.550 -0.003 0.000 0.337 327 Y C 1.197 176.738 175.900 -0.598 0.000 1.252 327 Y CA 0.791 58.488 58.100 -0.672 0.000 1.515 327 Y CB 0.211 38.384 38.460 -0.479 0.000 1.305 327 Y HN 0.695 8.975 8.280 0.000 0.000 0.600 328 N N 0.584 118.190 118.700 -1.823 0.000 2.936 328 N HA -0.237 4.502 4.740 -0.003 0.000 0.236 328 N C -0.259 174.934 175.510 -0.529 0.000 0.930 328 N CA 1.214 53.345 53.050 -1.532 0.000 0.966 328 N CB -1.504 36.182 38.487 -1.335 0.000 1.090 328 N HN 0.741 9.121 8.380 0.000 0.000 0.592 329 S N -1.713 113.857 115.700 -0.216 0.000 2.634 329 S HA 0.452 4.920 4.470 -0.003 0.000 0.261 329 S C 1.528 176.177 174.600 0.082 0.000 1.271 329 S CA 0.171 58.347 58.200 -0.039 0.000 0.985 329 S CB 1.193 64.415 63.200 0.036 0.000 0.968 329 S HN 0.158 8.468 8.310 0.000 0.000 0.568 330 S N 0.851 116.574 115.700 0.040 0.000 2.423 330 S HA -0.096 4.372 4.470 -0.003 0.000 0.231 330 S C 1.578 176.196 174.600 0.029 0.000 1.014 330 S CA 1.271 59.495 58.200 0.040 0.000 0.965 330 S CB -0.814 62.387 63.200 0.002 0.000 0.785 330 S HN 0.779 9.089 8.310 0.000 0.000 0.495 331 N N 0.028 118.744 118.700 0.027 0.000 2.270 331 N HA -0.094 4.644 4.740 -0.003 0.000 0.181 331 N C 1.469 176.961 175.510 -0.031 0.000 1.016 331 N CA 0.971 54.005 53.050 -0.026 0.000 0.870 331 N CB -0.149 38.320 38.487 -0.030 0.000 0.979 331 N HN 0.575 8.955 8.380 0.000 0.000 0.431 332 W N 2.434 123.637 121.300 -0.161 0.000 2.358 332 W HA -0.228 4.430 4.660 -0.003 0.000 0.303 332 W C 2.503 178.961 176.519 -0.101 0.000 1.208 332 W CA 1.370 58.617 57.345 -0.162 0.000 1.274 332 W CB -0.259 29.094 29.460 -0.179 0.000 1.138 332 W HN 0.027 8.207 8.180 0.000 0.000 0.515 333 Q N 0.314 120.124 119.800 0.018 0.000 2.096 333 Q HA -0.247 4.091 4.340 -0.003 0.000 0.204 333 Q C 2.347 178.188 176.000 -0.265 0.000 0.982 333 Q CA 2.625 58.277 55.803 -0.251 0.000 0.850 333 Q CB -1.362 27.381 28.738 0.007 0.000 0.901 333 Q HN 0.414 8.684 8.270 0.000 0.000 0.422 334 c N -0.900 117.602 118.600 -0.164 0.000 2.446 334 c HA 0.040 4.609 4.570 -0.003 0.000 0.277 334 c C 2.166 176.144 174.090 -0.186 0.000 1.275 334 c CA 0.782 57.019 56.329 -0.153 0.000 1.727 334 c CB -0.852 41.583 42.510 -0.125 0.000 2.010 334 c HN 0.643 8.873 8.230 0.000 0.000 0.486 335 L N -0.273 120.804 121.223 -0.245 0.000 2.616 335 L HA 0.170 4.508 4.340 -0.003 0.000 0.229 335 L C 1.715 178.423 176.870 -0.271 0.000 1.110 335 L CA 0.097 54.773 54.840 -0.274 0.000 0.884 335 L CB 0.179 42.014 42.059 -0.373 0.000 1.115 335 L HN 0.253 8.483 8.230 0.000 0.000 0.481 336 V N -1.036 118.674 119.914 -0.339 0.000 3.097 336 V HA -0.006 4.113 4.120 -0.003 0.000 0.223 336 V C 2.026 177.918 176.094 -0.336 0.000 1.199 336 V CA 0.490 62.631 62.300 -0.265 0.000 1.260 336 V CB 0.067 31.698 31.823 -0.319 0.000 1.155 336 V HN 0.147 8.337 8.190 0.000 0.000 0.509 337 K N 1.052 121.015 120.400 -0.727 0.000 2.057 337 K HA -0.154 4.164 4.320 -0.003 0.000 0.207 337 K C 1.798 178.254 176.600 -0.239 0.000 1.049 337 K CA 2.257 58.234 56.287 -0.516 0.000 0.931 337 K CB -0.302 31.736 32.500 -0.771 0.000 0.714 337 K HN 0.545 8.795 8.250 0.000 0.000 0.440 338 N N -0.835 117.743 118.700 -0.204 0.000 2.166 338 N HA -0.198 4.540 4.740 -0.003 0.000 0.186 338 N C 1.796 177.306 175.510 0.001 0.000 1.019 338 N CA 1.032 54.029 53.050 -0.089 0.000 0.856 338 N CB -0.163 38.273 38.487 -0.084 0.000 0.993 338 N HN 0.265 8.645 8.380 0.000 0.000 0.426 339 H N 0.951 119.961 119.070 -0.100 0.000 2.333 339 H HA 0.044 4.598 4.556 -0.002 0.000 0.302 339 H C 1.943 177.270 175.328 -0.001 0.000 1.075 339 H CA 0.973 57.001 56.048 -0.033 0.000 1.348 339 H CB -0.389 29.375 29.762 0.004 0.000 1.393 339 H HN -0.088 8.192 8.280 0.000 0.000 0.509 340 V N 0.911 120.778 119.914 -0.077 0.000 2.332 340 V HA -0.256 3.863 4.120 -0.003 0.000 0.248 340 V C 1.968 178.020 176.094 -0.070 0.000 1.055 340 V CA 2.208 64.451 62.300 -0.096 0.000 1.038 340 V CB -0.428 31.381 31.823 -0.023 0.000 0.651 340 V HN 0.476 8.666 8.190 0.000 0.000 0.450 341 D N 0.231 120.600 120.400 -0.052 0.000 2.178 341 D HA -0.093 4.546 4.640 -0.003 0.000 0.201 341 D C 2.195 178.475 176.300 -0.034 0.000 0.980 341 D CA 1.539 55.518 54.000 -0.034 0.000 0.842 341 D CB -0.258 40.522 40.800 -0.033 0.000 0.948 341 D HN 0.462 8.832 8.370 0.000 0.000 0.472 342 A N 0.437 123.234 122.820 -0.037 0.000 1.930 342 A HA -0.080 4.239 4.320 -0.003 0.000 0.217 342 A C 2.322 179.867 177.584 -0.064 0.000 1.175 342 A CA 0.636 52.654 52.037 -0.032 0.000 0.627 342 A CB -0.556 18.451 19.000 0.012 0.000 0.815 342 A HN 0.179 8.329 8.150 0.000 0.000 0.443 343 I N -1.461 119.040 120.570 -0.115 0.000 2.315 343 I HA -0.117 4.052 4.170 -0.003 0.000 0.248 343 I C 0.909 177.008 176.117 -0.031 0.000 1.117 343 I CA 1.039 62.280 61.300 -0.098 0.000 1.404 343 I CB -0.135 37.803 38.000 -0.104 0.000 1.071 343 I HN 0.428 8.638 8.210 0.000 0.000 0.419 344 N N 0.000 118.686 118.700 -0.024 0.000 1.763 344 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 344 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 344 N CB 0.000 38.499 38.487 0.021 0.000 1.341 344 N HN 0.000 8.380 8.380 0.000 0.000 0.667