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 3exg_1_I DATA FIRST_RESID 0 DATA SEQUENCE MFANDATFEI KKCDLHRLEE GPPVTTVLTR EDGLKYYRMM QTVRRMELKA DATA SEQUENCE DQLYKQKIIR GFCHLCDGQE ACCVGLEAGI NPTDHLITAY RAHGFTFTRG DATA SEQUENCE LSVREILAEL TGRKGGCAKG KGGSMHMYAK NFYGGNGIVG AQVPLGAGIA DATA SEQUENCE LACKYNGKDE VCLTLYGDGA ANQGQIFEAY NMAALWKLPC IFICENNRXX DATA SEQUENCE XXXXVERAAA STDYYKRGDF IPGLRVDGMD ILCVREATRF AAAYCRSGKG DATA SEQUENCE PILMELQTYR YHXXXXXXXX XXXXTREEIQ EVRSKSDPIM LLKDRMVNSN DATA SEQUENCE LASVEELKEI DVEVRKEIED AAQFATADPE PPLEELGYHI YSSDPPFEVR DATA SEQUENCE GANQWIKFKS VS 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 0 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 0 M C 0.000 176.105 176.300 -0.325 0.000 1.140 0 M CA 0.000 55.150 55.300 -0.250 0.000 0.988 0 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 1 F N 2.159 122.102 119.950 -0.011 0.000 2.497 1 F HA 0.903 5.430 4.527 0.001 0.000 0.331 1 F C 1.282 177.076 175.800 -0.010 0.000 1.060 1 F CA -0.229 57.764 58.000 -0.010 0.000 0.989 1 F CB 1.700 40.694 39.000 -0.012 0.000 1.245 1 F HN 1.249 9.549 8.300 -0.000 0.000 0.486 2 A N 1.163 124.112 122.820 0.215 0.000 2.504 2 A HA -0.005 4.315 4.320 0.001 0.000 0.257 2 A C 0.895 178.538 177.584 0.098 0.000 1.136 2 A CA 0.301 52.403 52.037 0.110 0.000 0.823 2 A CB -0.064 18.983 19.000 0.077 0.000 1.085 2 A HN 0.823 8.973 8.150 -0.000 0.000 0.521 3 N N -0.499 118.231 118.700 0.050 0.000 2.181 3 N HA 0.138 4.878 4.740 0.001 0.000 0.207 3 N C -0.718 174.803 175.510 0.019 0.000 1.182 3 N CA 0.827 53.897 53.050 0.033 0.000 0.893 3 N CB 0.463 38.964 38.487 0.024 0.000 1.032 3 N HN 0.843 9.223 8.380 -0.000 0.000 0.513 4 D N -1.493 118.919 120.400 0.019 0.000 2.808 4 D HA 0.451 5.092 4.640 0.001 0.000 0.294 4 D C -1.290 174.999 176.300 -0.018 0.000 1.278 4 D CA -0.659 53.352 54.000 0.018 0.000 0.756 4 D CB 1.314 42.122 40.800 0.013 0.000 1.271 4 D HN -0.070 8.300 8.370 -0.000 0.000 0.425 5 A N -0.493 122.289 122.820 -0.063 0.000 2.524 5 A HA 0.761 5.081 4.320 0.001 0.000 0.303 5 A C -1.478 175.876 177.584 -0.384 0.000 1.195 5 A CA -0.538 51.339 52.037 -0.267 0.000 0.651 5 A CB 1.738 20.496 19.000 -0.403 0.000 1.323 5 A HN 0.473 8.623 8.150 -0.000 0.000 0.479 6 T N 0.755 114.907 114.554 -0.671 0.000 2.879 6 T HA 0.678 5.028 4.350 0.001 0.000 0.290 6 T C -1.688 172.610 174.700 -0.671 0.000 0.993 6 T CA 0.099 61.935 62.100 -0.439 0.000 0.975 6 T CB 0.175 68.911 68.868 -0.220 0.000 0.981 6 T HN 0.407 8.647 8.240 -0.000 0.000 0.439 7 F N 0.887 120.847 119.950 0.018 0.000 2.576 7 F HA 0.477 5.004 4.527 0.000 0.000 0.313 7 F C 0.568 176.374 175.800 0.009 0.000 1.078 7 F CA -1.309 56.699 58.000 0.014 0.000 0.921 7 F CB 1.375 40.385 39.000 0.018 0.000 1.232 7 F HN 0.369 8.669 8.300 -0.000 0.000 0.459 8 E N 3.276 123.592 120.200 0.193 0.000 2.299 8 E HA 0.307 4.658 4.350 0.001 0.000 0.272 8 E C -0.515 176.147 176.600 0.103 0.000 1.043 8 E CA -0.136 56.330 56.400 0.110 0.000 0.895 8 E CB 0.638 30.382 29.700 0.074 0.000 1.011 8 E HN 0.467 8.827 8.360 -0.000 0.000 0.432 9 I N -0.083 120.524 120.570 0.062 0.000 2.648 9 I HA 0.437 4.608 4.170 0.001 0.000 0.304 9 I C 0.019 176.136 176.117 -0.000 0.000 1.009 9 I CA -1.239 60.076 61.300 0.025 0.000 1.114 9 I CB 1.610 39.621 38.000 0.017 0.000 1.293 9 I HN 0.268 8.478 8.210 -0.000 0.000 0.449 10 K N 3.755 124.143 120.400 -0.019 0.000 2.469 10 K HA 0.048 4.369 4.320 0.001 0.000 0.274 10 K C -0.326 176.243 176.600 -0.052 0.000 0.983 10 K CA -0.159 56.108 56.287 -0.033 0.000 0.974 10 K CB 0.700 33.175 32.500 -0.041 0.000 0.913 10 K HN 0.828 9.078 8.250 -0.000 0.000 0.493 11 K N 2.801 123.167 120.400 -0.056 0.000 2.234 11 K HA 0.203 4.524 4.320 0.001 0.000 0.282 11 K C -0.677 175.859 176.600 -0.106 0.000 1.039 11 K CA -0.826 55.414 56.287 -0.078 0.000 0.928 11 K CB 0.795 33.259 32.500 -0.060 0.000 1.039 11 K HN 0.360 8.610 8.250 -0.000 0.000 0.470 12 C N 3.227 122.438 119.300 -0.148 0.000 2.703 12 C HA 0.078 4.538 4.460 0.001 0.000 0.411 12 C C 0.339 175.226 174.990 -0.172 0.000 1.290 12 C CA -0.552 58.355 59.018 -0.187 0.000 2.054 12 C CB -0.523 27.074 27.740 -0.238 0.000 2.732 12 C HN 0.804 9.034 8.230 -0.000 0.000 0.650 13 D N 1.346 121.611 120.400 -0.225 0.000 2.341 13 D HA 0.375 5.016 4.640 0.001 0.000 0.245 13 D C -0.219 176.007 176.300 -0.123 0.000 1.106 13 D CA 0.272 54.170 54.000 -0.170 0.000 0.905 13 D CB 0.781 41.440 40.800 -0.234 0.000 1.202 13 D HN 0.383 8.753 8.370 -0.000 0.000 0.426 14 L N 1.068 122.316 121.223 0.040 0.000 2.330 14 L HA 0.364 4.705 4.340 0.001 0.000 0.271 14 L C -0.334 176.717 176.870 0.300 0.000 1.013 14 L CA -0.831 54.075 54.840 0.111 0.000 0.816 14 L CB 1.671 43.755 42.059 0.042 0.000 1.287 14 L HN 0.409 8.639 8.230 -0.000 0.000 0.435 15 H N 2.653 121.835 119.070 0.188 0.000 2.906 15 H HA 0.389 4.945 4.556 0.001 0.000 0.324 15 H C -0.460 174.902 175.328 0.058 0.000 0.973 15 H CA -0.659 55.455 56.048 0.111 0.000 1.321 15 H CB 0.607 30.391 29.762 0.037 0.000 1.535 15 H HN 0.509 8.789 8.280 -0.000 0.000 0.518 16 R N 3.323 123.586 120.500 -0.395 0.000 3.641 16 R HA -0.151 4.189 4.340 0.001 0.000 0.286 16 R C -1.106 175.160 176.300 -0.057 0.000 1.153 16 R CA 0.815 56.753 56.100 -0.269 0.000 0.775 16 R CB -1.743 28.334 30.300 -0.372 0.000 1.215 16 R HN 0.504 8.774 8.270 -0.000 0.000 0.474 17 L N -0.135 121.093 121.223 0.008 0.000 2.381 17 L HA 0.224 4.564 4.340 0.001 0.000 0.274 17 L C 1.410 178.323 176.870 0.070 0.000 0.988 17 L CA -0.627 54.261 54.840 0.079 0.000 0.824 17 L CB 1.885 44.018 42.059 0.122 0.000 1.263 17 L HN 0.055 8.285 8.230 -0.000 0.000 0.410 18 E N 1.806 122.055 120.200 0.082 0.000 2.047 18 E HA -0.143 4.208 4.350 0.001 0.000 0.191 18 E C -0.215 176.425 176.600 0.067 0.000 0.987 18 E CA 1.032 57.469 56.400 0.062 0.000 0.799 18 E CB 0.250 29.987 29.700 0.061 0.000 0.752 18 E HN 0.654 9.014 8.360 -0.000 0.000 0.449 19 E N -0.161 120.101 120.200 0.103 0.000 2.266 19 E HA 0.580 4.931 4.350 0.001 0.000 0.268 19 E C -0.296 176.389 176.600 0.142 0.000 0.879 19 E CA -0.914 55.546 56.400 0.099 0.000 0.762 19 E CB 2.065 31.831 29.700 0.110 0.000 1.199 19 E HN 0.060 8.420 8.360 -0.000 0.000 0.422 20 G N 1.330 110.126 108.800 -0.008 0.000 3.107 20 G HA2 0.586 4.547 3.960 0.001 0.000 0.232 20 G HA3 0.586 4.547 3.960 0.001 0.000 0.232 20 G C -2.458 172.147 174.900 -0.491 0.000 1.339 20 G CA -1.692 43.198 45.100 -0.350 0.000 1.033 20 G HN 0.546 8.836 8.290 -0.000 0.000 0.567 21 P HA 0.250 4.670 4.420 -0.000 0.000 0.271 21 P C -2.441 174.766 177.300 -0.154 0.000 1.218 21 P CA -0.829 62.010 63.100 -0.435 0.000 0.780 21 P CB 0.247 31.662 31.700 -0.475 0.000 0.901 22 P HA -0.054 4.366 4.420 -0.000 0.000 0.265 22 P C 0.881 178.174 177.300 -0.012 0.000 1.187 22 P CA 0.159 63.261 63.100 0.003 0.000 0.766 22 P CB 0.207 31.932 31.700 0.041 0.000 0.820 23 V N -0.764 119.146 119.914 -0.006 0.000 3.620 23 V HA 0.177 4.297 4.120 0.001 0.000 0.286 23 V C 0.639 176.747 176.094 0.024 0.000 1.288 23 V CA 0.392 62.691 62.300 -0.001 0.000 1.178 23 V CB -0.699 31.120 31.823 -0.006 0.000 0.986 23 V HN 0.596 8.786 8.190 -0.000 0.000 0.431 24 T N -0.004 114.569 114.554 0.033 0.000 2.912 24 T HA 0.623 4.974 4.350 0.001 0.000 0.299 24 T C -0.645 174.093 174.700 0.063 0.000 1.052 24 T CA 0.251 62.379 62.100 0.046 0.000 0.996 24 T CB 2.091 70.975 68.868 0.027 0.000 1.070 24 T HN 0.575 8.815 8.240 -0.000 0.000 0.465 25 T N 2.010 116.620 114.554 0.093 0.000 2.792 25 T HA 0.688 5.039 4.350 0.001 0.000 0.303 25 T C -1.739 173.038 174.700 0.129 0.000 1.310 25 T CA -0.405 61.762 62.100 0.111 0.000 1.007 25 T CB 1.623 70.568 68.868 0.128 0.000 1.335 25 T HN 0.445 8.685 8.240 -0.000 0.000 0.504 26 V N 3.456 123.443 119.914 0.121 0.000 2.448 26 V HA 0.593 4.713 4.120 0.001 0.000 0.295 26 V C -0.516 175.674 176.094 0.160 0.000 1.025 26 V CA -0.787 61.579 62.300 0.110 0.000 0.859 26 V CB 1.499 33.356 31.823 0.056 0.000 0.988 26 V HN 0.774 8.964 8.190 -0.000 0.000 0.431 27 L N 5.926 127.280 121.223 0.219 0.000 2.298 27 L HA 0.559 4.899 4.340 0.001 0.000 0.284 27 L C 0.446 177.392 176.870 0.126 0.000 1.013 27 L CA -0.287 54.684 54.840 0.218 0.000 0.824 27 L CB 2.079 44.358 42.059 0.367 0.000 1.221 27 L HN 0.841 9.071 8.230 -0.000 0.000 0.418 28 T N 1.230 115.813 114.554 0.049 0.000 2.910 28 T HA 0.158 4.509 4.350 0.001 0.000 0.293 28 T C 1.269 175.956 174.700 -0.023 0.000 1.015 28 T CA -0.489 61.616 62.100 0.010 0.000 1.094 28 T CB 1.404 70.265 68.868 -0.012 0.000 0.968 28 T HN 0.731 8.971 8.240 -0.000 0.000 0.521 29 R N 1.525 122.013 120.500 -0.020 0.000 2.112 29 R HA -0.197 4.144 4.340 0.001 0.000 0.242 29 R C 1.983 178.222 176.300 -0.101 0.000 1.137 29 R CA 2.370 58.437 56.100 -0.055 0.000 0.944 29 R CB -0.777 29.496 30.300 -0.045 0.000 0.857 29 R HN 0.975 9.245 8.270 -0.000 0.000 0.435 30 E N -0.039 120.108 120.200 -0.088 0.000 2.085 30 E HA -0.203 4.147 4.350 0.001 0.000 0.194 30 E C 1.550 178.045 176.600 -0.174 0.000 0.994 30 E CA 1.619 57.956 56.400 -0.106 0.000 0.801 30 E CB -0.060 29.597 29.700 -0.072 0.000 0.743 30 E HN 0.352 8.712 8.360 -0.000 0.000 0.453 31 D N -0.583 119.683 120.400 -0.224 0.000 2.095 31 D HA -0.142 4.499 4.640 0.001 0.000 0.192 31 D C 1.825 177.675 176.300 -0.749 0.000 0.990 31 D CA 1.612 55.333 54.000 -0.465 0.000 0.836 31 D CB -0.766 39.810 40.800 -0.374 0.000 0.979 31 D HN 0.330 8.700 8.370 -0.000 0.000 0.447 32 G N 0.135 108.656 108.800 -0.464 0.000 2.535 32 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 32 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 32 G C 1.537 176.367 174.900 -0.117 0.000 1.122 32 G CA 0.133 45.087 45.100 -0.244 0.000 0.769 32 G HN 0.158 8.448 8.290 -0.000 0.000 0.549 33 L N 0.059 121.186 121.223 -0.160 0.000 2.179 33 L HA 0.211 4.551 4.340 0.001 0.000 0.208 33 L C 2.578 179.430 176.870 -0.031 0.000 1.096 33 L CA 1.556 56.339 54.840 -0.094 0.000 0.779 33 L CB -0.199 41.786 42.059 -0.122 0.000 0.922 33 L HN 0.219 8.449 8.230 -0.000 0.000 0.443 34 K N -2.163 118.167 120.400 -0.117 0.000 2.186 34 K HA -0.126 4.195 4.320 0.001 0.000 0.202 34 K C 2.026 178.677 176.600 0.086 0.000 1.052 34 K CA 0.710 56.970 56.287 -0.046 0.000 0.965 34 K CB -0.028 32.407 32.500 -0.109 0.000 0.746 34 K HN 0.147 8.397 8.250 -0.000 0.000 0.457 35 Y N -0.324 120.003 120.300 0.044 0.000 2.242 35 Y HA -0.192 4.359 4.550 0.000 0.000 0.291 35 Y C 2.148 178.079 175.900 0.053 0.000 1.137 35 Y CA 0.542 58.661 58.100 0.031 0.000 1.181 35 Y CB -1.137 37.331 38.460 0.013 0.000 0.989 35 Y HN 0.150 8.430 8.280 -0.000 0.000 0.527 36 Y N 1.135 121.504 120.300 0.116 0.000 2.070 36 Y HA -0.277 4.273 4.550 0.000 0.000 0.279 36 Y C 2.914 178.843 175.900 0.048 0.000 1.134 36 Y CA 2.298 60.430 58.100 0.053 0.000 1.113 36 Y CB -0.438 38.026 38.460 0.007 0.000 0.981 36 Y HN -0.007 8.273 8.280 -0.000 0.000 0.487 37 R N -0.135 120.507 120.500 0.236 0.000 2.133 37 R HA -0.269 4.072 4.340 0.001 0.000 0.247 37 R C 2.209 178.553 176.300 0.073 0.000 1.151 37 R CA 2.313 58.493 56.100 0.133 0.000 0.971 37 R CB -0.382 29.997 30.300 0.133 0.000 0.866 37 R HN 0.468 8.738 8.270 -0.000 0.000 0.447 38 M N -0.310 119.360 119.600 0.118 0.000 2.098 38 M HA -0.140 4.340 4.480 0.001 0.000 0.262 38 M C 2.383 178.713 176.300 0.049 0.000 1.072 38 M CA 1.769 57.166 55.300 0.161 0.000 1.133 38 M CB -0.095 32.611 32.600 0.176 0.000 1.344 38 M HN 0.231 8.521 8.290 -0.000 0.000 0.414 39 M N -0.558 119.020 119.600 -0.037 0.000 2.106 39 M HA -0.265 4.215 4.480 0.001 0.000 0.259 39 M C 2.062 178.258 176.300 -0.174 0.000 1.068 39 M CA 1.550 56.779 55.300 -0.118 0.000 1.100 39 M CB -0.830 31.681 32.600 -0.149 0.000 1.351 39 M HN 0.294 8.584 8.290 -0.000 0.000 0.404 40 Q N -0.174 119.469 119.800 -0.262 0.000 2.167 40 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 40 Q C 2.052 177.950 176.000 -0.170 0.000 0.970 40 Q CA 1.585 57.237 55.803 -0.252 0.000 0.855 40 Q CB -0.421 28.130 28.738 -0.312 0.000 0.911 40 Q HN 0.525 8.795 8.270 -0.000 0.000 0.438 41 T N 0.500 114.959 114.554 -0.159 0.000 2.708 41 T HA -0.086 4.264 4.350 0.001 0.000 0.266 41 T C 1.971 176.474 174.700 -0.329 0.000 1.037 41 T CA 1.254 63.195 62.100 -0.265 0.000 1.146 41 T CB -0.116 68.536 68.868 -0.360 0.000 0.865 41 T HN 0.046 8.286 8.240 -0.000 0.000 0.435 42 V N 1.530 121.298 119.914 -0.244 0.000 2.548 42 V HA -0.089 4.031 4.120 0.001 0.000 0.249 42 V C 2.569 178.593 176.094 -0.117 0.000 1.055 42 V CA 1.366 63.556 62.300 -0.185 0.000 1.065 42 V CB -0.526 31.240 31.823 -0.095 0.000 0.681 42 V HN 0.246 8.436 8.190 -0.000 0.000 0.462 43 R N 1.072 121.509 120.500 -0.106 0.000 2.070 43 R HA -0.109 4.232 4.340 0.001 0.000 0.232 43 R C 2.291 178.566 176.300 -0.041 0.000 1.138 43 R CA 1.651 57.719 56.100 -0.053 0.000 0.936 43 R CB -0.574 29.692 30.300 -0.056 0.000 0.839 43 R HN 0.226 8.496 8.270 -0.000 0.000 0.429 44 R N 0.283 120.739 120.500 -0.073 0.000 2.193 44 R HA -0.095 4.245 4.340 0.001 0.000 0.229 44 R C 2.111 178.377 176.300 -0.057 0.000 1.110 44 R CA 1.484 57.550 56.100 -0.056 0.000 0.988 44 R CB -0.764 29.494 30.300 -0.071 0.000 0.871 44 R HN 0.462 8.732 8.270 -0.000 0.000 0.458 45 M N 0.387 119.932 119.600 -0.091 0.000 2.216 45 M HA -0.063 4.418 4.480 0.001 0.000 0.264 45 M C 1.290 177.572 176.300 -0.031 0.000 1.080 45 M CA 1.465 56.709 55.300 -0.094 0.000 1.153 45 M CB 0.104 32.599 32.600 -0.174 0.000 1.356 45 M HN -0.115 8.175 8.290 -0.000 0.000 0.432 46 E N 0.978 121.181 120.200 0.005 0.000 2.110 46 E HA -0.163 4.188 4.350 0.001 0.000 0.193 46 E C 2.085 178.723 176.600 0.064 0.000 0.988 46 E CA 1.198 57.639 56.400 0.070 0.000 0.804 46 E CB -0.561 29.198 29.700 0.098 0.000 0.745 46 E HN 0.561 8.921 8.360 -0.000 0.000 0.458 47 L N 0.759 122.017 121.223 0.058 0.000 2.012 47 L HA -0.225 4.115 4.340 0.001 0.000 0.210 47 L C 2.577 179.463 176.870 0.026 0.000 1.073 47 L CA 1.432 56.306 54.840 0.057 0.000 0.748 47 L CB -0.515 41.576 42.059 0.053 0.000 0.891 47 L HN 0.072 8.302 8.230 -0.000 0.000 0.431 48 K N 0.723 121.129 120.400 0.010 0.000 2.026 48 K HA -0.134 4.186 4.320 0.001 0.000 0.208 48 K C 2.030 178.636 176.600 0.010 0.000 1.048 48 K CA 1.718 58.008 56.287 0.005 0.000 0.929 48 K CB -0.494 32.001 32.500 -0.009 0.000 0.713 48 K HN 0.203 8.453 8.250 -0.000 0.000 0.439 49 A N 0.768 123.590 122.820 0.003 0.000 1.908 49 A HA -0.223 4.097 4.320 0.001 0.000 0.218 49 A C 2.076 179.676 177.584 0.028 0.000 1.181 49 A CA 2.277 54.317 52.037 0.004 0.000 0.627 49 A CB -1.136 17.854 19.000 -0.017 0.000 0.818 49 A HN 0.611 8.761 8.150 -0.000 0.000 0.445 50 D N -1.143 119.261 120.400 0.007 0.000 2.178 50 D HA -0.203 4.438 4.640 0.001 0.000 0.201 50 D C 2.080 178.412 176.300 0.054 0.000 0.980 50 D CA 1.626 55.617 54.000 -0.017 0.000 0.842 50 D CB -0.141 40.582 40.800 -0.129 0.000 0.948 50 D HN 0.639 9.009 8.370 -0.000 0.000 0.472 51 Q N -0.233 119.589 119.800 0.038 0.000 2.089 51 Q HA -0.041 4.300 4.340 0.001 0.000 0.195 51 Q C 2.331 178.360 176.000 0.048 0.000 0.963 51 Q CA 0.418 56.242 55.803 0.035 0.000 0.834 51 Q CB -0.166 28.584 28.738 0.020 0.000 0.906 51 Q HN 0.342 8.612 8.270 -0.000 0.000 0.452 52 L N 0.349 121.605 121.223 0.055 0.000 2.349 52 L HA -0.192 4.148 4.340 0.001 0.000 0.220 52 L C 2.109 179.039 176.870 0.101 0.000 1.130 52 L CA 1.271 56.145 54.840 0.056 0.000 0.791 52 L CB -0.312 41.775 42.059 0.047 0.000 0.918 52 L HN 0.385 8.615 8.230 -0.000 0.000 0.444 53 Y N -0.091 120.191 120.300 -0.030 0.000 2.479 53 Y HA -0.017 4.534 4.550 0.001 0.000 0.283 53 Y C 2.409 178.286 175.900 -0.038 0.000 1.109 53 Y CA 0.604 58.685 58.100 -0.033 0.000 1.239 53 Y CB 0.243 38.685 38.460 -0.029 0.000 1.108 53 Y HN -0.102 8.178 8.280 -0.000 0.000 0.548 54 K N 0.328 120.733 120.400 0.008 0.000 2.209 54 K HA -0.187 4.134 4.320 0.001 0.000 0.204 54 K C 1.619 178.155 176.600 -0.108 0.000 1.048 54 K CA 1.552 57.784 56.287 -0.091 0.000 0.940 54 K CB -0.095 32.396 32.500 -0.015 0.000 0.729 54 K HN 0.530 8.780 8.250 -0.000 0.000 0.451 55 Q N 0.130 119.892 119.800 -0.064 0.000 2.472 55 Q HA -0.005 4.335 4.340 0.001 0.000 0.208 55 Q C 0.094 176.041 176.000 -0.088 0.000 0.958 55 Q CA 0.326 56.092 55.803 -0.060 0.000 0.932 55 Q CB 0.373 29.095 28.738 -0.028 0.000 1.007 55 Q HN 0.113 8.383 8.270 -0.000 0.000 0.508 56 K N -1.320 118.994 120.400 -0.143 0.000 3.587 56 K HA -0.200 4.120 4.320 0.001 0.000 0.294 56 K C 0.929 177.485 176.600 -0.075 0.000 1.279 56 K CA 1.064 57.263 56.287 -0.147 0.000 1.004 56 K CB -1.658 30.768 32.500 -0.122 0.000 1.276 56 K HN 0.237 8.487 8.250 -0.000 0.000 0.459 57 I N 0.772 121.319 120.570 -0.038 0.000 2.530 57 I HA -0.106 4.064 4.170 0.001 0.000 0.257 57 I C 1.393 177.518 176.117 0.014 0.000 1.179 57 I CA 1.220 62.512 61.300 -0.014 0.000 1.440 57 I CB -0.745 37.252 38.000 -0.005 0.000 1.087 57 I HN 0.153 8.363 8.210 -0.000 0.000 0.440 58 I N 1.979 122.581 120.570 0.053 0.000 2.362 58 I HA 0.273 4.444 4.170 0.001 0.000 0.289 58 I C 0.254 176.448 176.117 0.129 0.000 0.994 58 I CA -0.446 60.932 61.300 0.130 0.000 1.158 58 I CB 1.109 39.260 38.000 0.252 0.000 1.315 58 I HN 0.040 8.250 8.210 -0.000 0.000 0.451 59 R N 3.499 124.049 120.500 0.083 0.000 2.797 59 R HA 0.803 5.144 4.340 0.001 0.000 0.251 59 R C 0.733 177.064 176.300 0.051 0.000 1.107 59 R CA -0.390 55.724 56.100 0.022 0.000 1.084 59 R CB 0.730 31.013 30.300 -0.029 0.000 1.205 59 R HN 0.744 9.014 8.270 -0.000 0.000 0.515 60 G N 0.659 109.422 108.800 -0.061 0.000 2.596 60 G HA2 -0.335 3.625 3.960 0.001 0.000 0.304 60 G HA3 -0.335 3.625 3.960 0.001 0.000 0.304 60 G C -0.521 174.220 174.900 -0.265 0.000 1.189 60 G CA 0.206 45.159 45.100 -0.246 0.000 0.986 60 G HN 0.376 8.666 8.290 -0.000 0.000 0.548 61 F N 0.024 119.997 119.950 0.038 0.000 2.371 61 F HA 0.630 5.157 4.527 0.000 0.000 0.329 61 F C 0.996 176.674 175.800 -0.203 0.000 1.107 61 F CA -0.278 57.647 58.000 -0.126 0.000 1.137 61 F CB 1.761 40.670 39.000 -0.152 0.000 1.214 61 F HN 0.587 8.887 8.300 -0.000 0.000 0.536 62 C N 2.549 121.675 119.300 -0.289 0.000 3.319 62 C HA 0.322 4.782 4.460 0.001 0.000 0.258 62 C C -1.000 173.747 174.990 -0.405 0.000 1.068 62 C CA -0.543 58.233 59.018 -0.403 0.000 1.193 62 C CB -1.759 25.344 27.740 -1.061 0.000 1.770 62 C HN 0.804 9.034 8.230 -0.000 0.000 0.604 63 H N 2.449 121.487 119.070 -0.053 0.000 2.690 63 H HA 0.536 5.092 4.556 0.000 0.000 0.314 63 H C 0.016 175.251 175.328 -0.154 0.000 1.069 63 H CA 0.342 56.346 56.048 -0.073 0.000 1.436 63 H CB 0.664 30.439 29.762 0.022 0.000 1.462 63 H HN 0.497 8.777 8.280 -0.000 0.000 0.511 64 L N 2.866 124.120 121.223 0.051 0.000 2.334 64 L HA 0.269 4.609 4.340 0.001 0.000 0.275 64 L C 0.388 177.276 176.870 0.031 0.000 1.036 64 L CA -0.872 53.996 54.840 0.047 0.000 0.807 64 L CB 1.370 43.499 42.059 0.117 0.000 1.231 64 L HN 0.843 9.073 8.230 -0.000 0.000 0.438 65 C N -2.033 117.265 119.300 -0.003 0.000 2.647 65 C HA 0.319 4.779 4.460 0.001 0.000 0.296 65 C C 0.365 175.315 174.990 -0.067 0.000 1.403 65 C CA -1.022 57.968 59.018 -0.048 0.000 1.781 65 C CB -2.154 25.541 27.740 -0.075 0.000 2.464 65 C HN 0.849 9.079 8.230 -0.000 0.000 0.559 66 D N -0.053 120.342 120.400 -0.009 0.000 2.308 66 D HA 0.466 5.107 4.640 0.001 0.000 0.251 66 D C 1.276 177.434 176.300 -0.237 0.000 1.127 66 D CA 0.607 54.597 54.000 -0.016 0.000 0.876 66 D CB 0.867 41.752 40.800 0.142 0.000 1.176 66 D HN 0.627 8.997 8.370 -0.000 0.000 0.446 67 G N 2.330 110.913 108.800 -0.361 0.000 2.232 67 G HA2 -0.312 3.649 3.960 0.001 0.000 0.226 67 G HA3 -0.312 3.649 3.960 0.001 0.000 0.226 67 G C 0.727 175.413 174.900 -0.357 0.000 0.996 67 G CA 0.034 44.698 45.100 -0.727 0.000 0.626 67 G HN 0.549 8.839 8.290 -0.000 0.000 0.509 68 Q N -0.118 119.533 119.800 -0.249 0.000 2.188 68 Q HA 0.329 4.669 4.340 0.001 0.000 0.212 68 Q C 1.387 177.271 176.000 -0.193 0.000 0.846 68 Q CA 0.109 55.795 55.803 -0.194 0.000 0.989 68 Q CB 0.394 29.031 28.738 -0.168 0.000 1.114 68 Q HN 0.578 8.848 8.270 -0.000 0.000 0.488 69 E N 0.804 120.896 120.200 -0.179 0.000 2.418 69 E HA -0.093 4.257 4.350 0.001 0.000 0.197 69 E C 1.753 178.241 176.600 -0.185 0.000 1.026 69 E CA 0.808 57.099 56.400 -0.182 0.000 0.862 69 E CB 0.041 29.656 29.700 -0.142 0.000 0.799 69 E HN 0.380 8.740 8.360 -0.000 0.000 0.518 70 A N 0.057 122.779 122.820 -0.163 0.000 1.972 70 A HA -0.189 4.131 4.320 0.001 0.000 0.219 70 A C 2.156 179.635 177.584 -0.176 0.000 1.169 70 A CA 1.057 52.999 52.037 -0.157 0.000 0.635 70 A CB -0.705 18.220 19.000 -0.126 0.000 0.810 70 A HN 0.392 8.542 8.150 -0.000 0.000 0.446 71 C N -0.961 118.229 119.300 -0.183 0.000 2.543 71 C HA -0.117 4.344 4.460 0.001 0.000 0.281 71 C C 3.095 177.943 174.990 -0.237 0.000 1.276 71 C CA 0.759 59.681 59.018 -0.160 0.000 1.700 71 C CB -1.327 26.342 27.740 -0.117 0.000 2.093 71 C HN 0.864 9.094 8.230 -0.000 0.000 0.488 72 C N 0.278 119.269 119.300 -0.516 0.000 2.440 72 C HA 0.021 4.481 4.460 0.001 0.000 0.278 72 C C 2.463 177.223 174.990 -0.383 0.000 1.295 72 C CA 0.849 59.360 59.018 -0.846 0.000 1.738 72 C CB -1.699 25.211 27.740 -1.384 0.000 1.987 72 C HN 0.422 8.652 8.230 -0.000 0.000 0.492 73 V N 2.106 121.844 119.914 -0.292 0.000 2.488 73 V HA 0.092 4.212 4.120 0.001 0.000 0.246 73 V C 2.984 178.906 176.094 -0.287 0.000 1.046 73 V CA 2.194 64.353 62.300 -0.234 0.000 1.053 73 V CB -1.618 30.085 31.823 -0.200 0.000 0.679 73 V HN 0.649 8.839 8.190 -0.000 0.000 0.458 74 G N -0.161 108.477 108.800 -0.269 0.000 2.403 74 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 74 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 74 G C 1.478 176.283 174.900 -0.159 0.000 1.154 74 G CA 0.548 45.487 45.100 -0.268 0.000 0.784 74 G HN 0.366 8.656 8.290 -0.000 0.000 0.538 75 L N 0.483 121.655 121.223 -0.085 0.000 2.109 75 L HA 0.123 4.463 4.340 0.001 0.000 0.207 75 L C 2.524 179.397 176.870 0.005 0.000 1.086 75 L CA 1.302 56.145 54.840 0.004 0.000 0.760 75 L CB -0.544 41.582 42.059 0.112 0.000 0.910 75 L HN 0.179 8.409 8.230 -0.000 0.000 0.437 76 E N -0.254 119.929 120.200 -0.028 0.000 2.265 76 E HA -0.133 4.217 4.350 0.001 0.000 0.196 76 E C 2.015 178.597 176.600 -0.031 0.000 0.996 76 E CA 1.082 57.465 56.400 -0.027 0.000 0.832 76 E CB -0.056 29.604 29.700 -0.068 0.000 0.756 76 E HN 0.394 8.754 8.360 -0.000 0.000 0.491 77 A N -0.817 121.958 122.820 -0.076 0.000 2.218 77 A HA 0.247 4.567 4.320 0.001 0.000 0.209 77 A C 1.958 179.549 177.584 0.010 0.000 1.168 77 A CA 0.779 52.793 52.037 -0.038 0.000 0.804 77 A CB -0.094 18.783 19.000 -0.205 0.000 0.834 77 A HN 0.273 8.423 8.150 -0.000 0.000 0.482 78 G N -0.107 108.696 108.800 0.005 0.000 3.126 78 G HA2 0.455 4.415 3.960 0.001 0.000 0.224 78 G HA3 0.455 4.415 3.960 0.001 0.000 0.224 78 G C 0.360 175.284 174.900 0.040 0.000 1.142 78 G CA 0.517 45.637 45.100 0.033 0.000 0.759 78 G HN 0.638 8.928 8.290 -0.000 0.000 0.550 79 I N -3.016 117.574 120.570 0.032 0.000 3.191 79 I HA 0.589 4.759 4.170 0.001 0.000 0.313 79 I C -1.216 174.913 176.117 0.020 0.000 1.193 79 I CA -1.647 59.672 61.300 0.031 0.000 0.968 79 I CB 1.825 39.845 38.000 0.033 0.000 1.262 79 I HN -0.095 8.115 8.210 -0.000 0.000 0.456 80 N N 2.079 120.787 118.700 0.013 0.000 2.458 80 N HA 0.494 5.234 4.740 0.001 0.000 0.271 80 N C -2.137 173.361 175.510 -0.020 0.000 1.210 80 N CA -1.538 51.513 53.050 0.001 0.000 0.978 80 N CB 0.294 38.783 38.487 0.003 0.000 1.206 80 N HN 0.469 8.849 8.380 -0.000 0.000 0.536 81 P HA -0.124 4.296 4.420 -0.000 0.000 0.229 81 P C 0.942 178.191 177.300 -0.085 0.000 1.160 81 P CA 1.136 64.206 63.100 -0.051 0.000 0.777 81 P CB -0.176 31.498 31.700 -0.043 0.000 0.814 82 T N -4.339 110.174 114.554 -0.069 0.000 3.035 82 T HA -0.029 4.321 4.350 0.001 0.000 0.268 82 T C 0.683 175.264 174.700 -0.200 0.000 1.109 82 T CA 0.363 62.407 62.100 -0.092 0.000 1.119 82 T CB -0.577 68.281 68.868 -0.017 0.000 0.900 82 T HN -0.018 8.222 8.240 -0.000 0.000 0.503 83 D N 1.021 121.331 120.400 -0.150 0.000 2.411 83 D HA 0.292 4.932 4.640 0.001 0.000 0.251 83 D C 0.080 176.219 176.300 -0.268 0.000 1.201 83 D CA -0.207 53.725 54.000 -0.112 0.000 0.996 83 D CB 0.525 41.331 40.800 0.011 0.000 1.101 83 D HN 0.397 8.767 8.370 -0.000 0.000 0.504 84 H N -0.125 119.008 119.070 0.104 0.000 2.569 84 H HA 0.582 5.139 4.556 0.000 0.000 0.357 84 H C -0.725 174.688 175.328 0.142 0.000 1.153 84 H CA -0.704 55.448 56.048 0.173 0.000 1.193 84 H CB 2.425 32.292 29.762 0.176 0.000 1.602 84 H HN 0.136 8.416 8.280 -0.000 0.000 0.523 85 L N 3.508 124.918 121.223 0.312 0.000 2.470 85 L HA 0.517 4.857 4.340 0.001 0.000 0.268 85 L C -1.627 175.352 176.870 0.182 0.000 0.964 85 L CA -0.478 54.478 54.840 0.193 0.000 0.839 85 L CB 1.862 44.019 42.059 0.163 0.000 1.276 85 L HN 0.597 8.827 8.230 -0.000 0.000 0.403 86 I N 3.520 124.097 120.570 0.012 0.000 2.608 86 I HA 0.659 4.829 4.170 0.001 0.000 0.295 86 I C -0.784 175.210 176.117 -0.204 0.000 1.049 86 I CA 0.017 61.251 61.300 -0.110 0.000 1.063 86 I CB 2.388 40.350 38.000 -0.063 0.000 1.248 86 I HN 0.741 8.951 8.210 -0.000 0.000 0.424 87 T N 3.990 118.385 114.554 -0.266 0.000 2.804 87 T HA 0.771 5.122 4.350 0.001 0.000 0.290 87 T C -0.043 174.509 174.700 -0.248 0.000 1.099 87 T CA 0.182 62.117 62.100 -0.275 0.000 1.011 87 T CB 1.561 70.207 68.868 -0.370 0.000 1.291 87 T HN 0.731 8.971 8.240 -0.000 0.000 0.523 88 A N 0.405 123.041 122.820 -0.307 0.000 3.037 88 A HA 0.452 4.773 4.320 0.001 0.000 0.192 88 A C 0.488 177.819 177.584 -0.420 0.000 2.048 88 A CA 0.484 52.265 52.037 -0.426 0.000 0.928 88 A CB -0.762 17.814 19.000 -0.707 0.000 1.895 88 A HN 1.021 9.171 8.150 -0.000 0.000 0.777 89 Y N -1.875 118.279 120.300 -0.244 0.000 2.532 89 Y HA 0.547 5.097 4.550 0.001 0.000 0.283 89 Y C 0.958 176.736 175.900 -0.203 0.000 1.181 89 Y CA -0.079 57.868 58.100 -0.255 0.000 1.256 89 Y CB -0.310 37.931 38.460 -0.365 0.000 1.112 89 Y HN 0.356 8.636 8.280 -0.000 0.000 0.521 90 R N 1.133 121.511 120.500 -0.205 0.000 3.135 90 R HA 0.616 4.956 4.340 0.001 0.000 0.343 90 R C 0.245 176.511 176.300 -0.056 0.000 1.227 90 R CA 0.123 56.146 56.100 -0.128 0.000 1.227 90 R CB -0.084 30.107 30.300 -0.181 0.000 1.436 90 R HN 0.364 8.634 8.270 -0.000 0.000 0.595 91 A N -0.518 122.290 122.820 -0.019 0.000 2.430 91 A HA 0.138 4.458 4.320 0.001 0.000 0.243 91 A C 0.749 178.484 177.584 0.252 0.000 1.254 91 A CA -0.115 52.051 52.037 0.215 0.000 0.914 91 A CB -0.196 18.987 19.000 0.305 0.000 0.998 91 A HN 0.667 8.817 8.150 -0.000 0.000 0.515 92 H N -0.434 118.714 119.070 0.131 0.000 2.352 92 H HA -0.127 4.430 4.556 0.001 0.000 0.299 92 H C 2.364 177.721 175.328 0.048 0.000 1.097 92 H CA 0.828 56.925 56.048 0.081 0.000 1.311 92 H CB 0.153 29.944 29.762 0.048 0.000 1.377 92 H HN 0.512 8.792 8.280 -0.000 0.000 0.504 93 G N 0.453 109.316 108.800 0.104 0.000 2.421 93 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 93 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 93 G C 1.220 176.058 174.900 -0.105 0.000 1.171 93 G CA 0.698 45.773 45.100 -0.043 0.000 0.775 93 G HN 0.230 8.520 8.290 -0.000 0.000 0.543 94 F N 1.450 121.352 119.950 -0.080 0.000 2.102 94 F HA -0.036 4.492 4.527 0.000 0.000 0.298 94 F C 3.150 178.619 175.800 -0.552 0.000 1.105 94 F CA 1.674 59.517 58.000 -0.263 0.000 1.239 94 F CB -0.954 37.925 39.000 -0.201 0.000 0.991 94 F HN 0.023 8.323 8.300 -0.000 0.000 0.474 95 T N 0.346 114.697 114.554 -0.338 0.000 2.721 95 T HA -0.291 4.059 4.350 0.001 0.000 0.268 95 T C 1.728 176.347 174.700 -0.136 0.000 1.038 95 T CA 1.731 63.616 62.100 -0.358 0.000 1.145 95 T CB -0.703 68.165 68.868 -0.000 0.000 0.858 95 T HN 0.226 8.466 8.240 -0.000 0.000 0.459 96 F N 2.268 122.126 119.950 -0.153 0.000 2.128 96 F HA -0.088 4.440 4.527 0.001 0.000 0.295 96 F C 2.666 178.388 175.800 -0.128 0.000 1.100 96 F CA 1.699 59.629 58.000 -0.116 0.000 1.260 96 F CB -0.955 37.992 39.000 -0.088 0.000 1.009 96 F HN 0.220 8.520 8.300 -0.000 0.000 0.476 97 T N -1.814 112.552 114.554 -0.314 0.000 3.007 97 T HA -0.093 4.257 4.350 0.001 0.000 0.270 97 T C 1.830 176.337 174.700 -0.321 0.000 1.107 97 T CA 0.767 62.641 62.100 -0.377 0.000 1.118 97 T CB -0.399 68.338 68.868 -0.219 0.000 0.889 97 T HN 0.210 8.450 8.240 -0.000 0.000 0.506 98 R N 0.434 120.753 120.500 -0.302 0.000 2.393 98 R HA 0.362 4.702 4.340 0.001 0.000 0.244 98 R C 1.698 177.874 176.300 -0.205 0.000 0.920 98 R CA 0.644 56.602 56.100 -0.236 0.000 1.076 98 R CB 0.520 30.629 30.300 -0.317 0.000 1.119 98 R HN 0.650 8.920 8.270 -0.000 0.000 0.524 99 G N 0.228 108.873 108.800 -0.259 0.000 2.699 99 G HA2 -0.210 3.751 3.960 0.001 0.000 0.198 99 G HA3 -0.210 3.751 3.960 0.001 0.000 0.198 99 G C -0.185 174.650 174.900 -0.108 0.000 1.033 99 G CA -0.702 44.291 45.100 -0.179 0.000 0.728 99 G HN 0.076 8.366 8.290 -0.000 0.000 0.484 100 L N 2.719 123.910 121.223 -0.053 0.000 2.467 100 L HA 0.573 4.913 4.340 0.001 0.000 0.270 100 L C 1.442 178.384 176.870 0.120 0.000 1.205 100 L CA 0.506 55.365 54.840 0.032 0.000 0.828 100 L CB 1.177 43.273 42.059 0.062 0.000 1.101 100 L HN 0.660 8.890 8.230 -0.000 0.000 0.479 101 S N 0.662 116.431 115.700 0.115 0.000 2.654 101 S HA 0.395 4.865 4.470 0.001 0.000 0.283 101 S C 1.045 175.717 174.600 0.119 0.000 1.180 101 S CA -0.837 57.456 58.200 0.155 0.000 1.021 101 S CB 1.290 64.524 63.200 0.056 0.000 1.018 101 S HN 0.281 8.591 8.310 -0.000 0.000 0.532 102 V N 1.605 121.558 119.914 0.066 0.000 2.594 102 V HA -0.112 4.008 4.120 0.001 0.000 0.253 102 V C 2.816 178.902 176.094 -0.012 0.000 1.069 102 V CA 1.929 64.206 62.300 -0.039 0.000 1.082 102 V CB -1.158 30.576 31.823 -0.148 0.000 0.680 102 V HN 0.878 9.068 8.190 -0.000 0.000 0.469 103 R N 0.443 120.928 120.500 -0.026 0.000 2.073 103 R HA -0.190 4.150 4.340 0.001 0.000 0.234 103 R C 2.308 178.643 176.300 0.057 0.000 1.134 103 R CA 2.027 58.098 56.100 -0.049 0.000 0.952 103 R CB -0.116 30.026 30.300 -0.262 0.000 0.850 103 R HN 0.734 9.004 8.270 -0.000 0.000 0.433 104 E N -0.494 119.730 120.200 0.041 0.000 2.318 104 E HA -0.046 4.304 4.350 0.001 0.000 0.193 104 E C 1.851 178.508 176.600 0.094 0.000 0.998 104 E CA 0.623 57.079 56.400 0.095 0.000 0.859 104 E CB 0.078 29.822 29.700 0.075 0.000 0.812 104 E HN 0.364 8.724 8.360 -0.000 0.000 0.492 105 I N 1.227 121.836 120.570 0.065 0.000 2.193 105 I HA -0.233 3.938 4.170 0.001 0.000 0.240 105 I C 2.370 178.481 176.117 -0.010 0.000 1.084 105 I CA 1.097 62.415 61.300 0.030 0.000 1.365 105 I CB -0.261 37.746 38.000 0.012 0.000 1.064 105 I HN 0.107 8.317 8.210 -0.000 0.000 0.410 106 L N 0.745 121.967 121.223 -0.002 0.000 2.083 106 L HA -0.185 4.156 4.340 0.001 0.000 0.209 106 L C 2.874 179.775 176.870 0.053 0.000 1.083 106 L CA 1.221 56.061 54.840 -0.000 0.000 0.752 106 L CB -0.682 41.388 42.059 0.018 0.000 0.899 106 L HN 0.254 8.484 8.230 -0.000 0.000 0.433 107 A N -0.128 122.769 122.820 0.128 0.000 1.933 107 A HA -0.254 4.066 4.320 0.001 0.000 0.218 107 A C 2.183 179.820 177.584 0.088 0.000 1.175 107 A CA 1.931 54.055 52.037 0.145 0.000 0.628 107 A CB -0.385 18.809 19.000 0.324 0.000 0.814 107 A HN 0.372 8.522 8.150 -0.000 0.000 0.444 108 E N 0.066 120.319 120.200 0.089 0.000 2.107 108 E HA -0.045 4.305 4.350 0.001 0.000 0.191 108 E C 1.813 178.451 176.600 0.064 0.000 0.982 108 E CA 0.842 57.293 56.400 0.085 0.000 0.809 108 E CB -0.371 29.393 29.700 0.107 0.000 0.756 108 E HN 0.589 8.949 8.360 -0.000 0.000 0.459 109 L N 0.266 121.503 121.223 0.024 0.000 2.083 109 L HA -0.134 4.207 4.340 0.001 0.000 0.209 109 L C 2.253 179.143 176.870 0.034 0.000 1.083 109 L CA 1.773 56.617 54.840 0.007 0.000 0.752 109 L CB -0.605 41.406 42.059 -0.080 0.000 0.899 109 L HN 0.313 8.543 8.230 -0.000 0.000 0.433 110 T N -3.310 111.259 114.554 0.025 0.000 3.148 110 T HA 0.147 4.497 4.350 0.001 0.000 0.253 110 T C 1.238 175.947 174.700 0.014 0.000 1.134 110 T CA 0.342 62.453 62.100 0.017 0.000 1.051 110 T CB -0.054 68.812 68.868 -0.003 0.000 0.959 110 T HN 0.448 8.688 8.240 -0.000 0.000 0.525 111 G N 2.307 111.126 108.800 0.031 0.000 2.351 111 G HA2 -0.188 3.773 3.960 0.001 0.000 0.297 111 G HA3 -0.188 3.773 3.960 0.001 0.000 0.297 111 G C -0.192 174.715 174.900 0.011 0.000 1.054 111 G CA -0.526 44.594 45.100 0.032 0.000 1.123 111 G HN 0.548 8.838 8.290 -0.000 0.000 0.512 112 R N -0.335 120.171 120.500 0.009 0.000 2.902 112 R HA 0.493 4.833 4.340 0.001 0.000 0.258 112 R C 1.729 178.037 176.300 0.014 0.000 1.071 112 R CA -0.588 55.502 56.100 -0.017 0.000 1.024 112 R CB 0.563 30.818 30.300 -0.076 0.000 1.184 112 R HN 0.470 8.740 8.270 -0.000 0.000 0.492 113 K N -0.317 120.083 120.400 0.000 0.000 2.152 113 K HA -0.065 4.255 4.320 0.001 0.000 0.206 113 K C 1.351 177.997 176.600 0.077 0.000 1.048 113 K CA 1.899 58.203 56.287 0.029 0.000 0.933 113 K CB -0.218 32.288 32.500 0.011 0.000 0.721 113 K HN 0.634 8.884 8.250 -0.000 0.000 0.447 114 G N 1.480 110.343 108.800 0.106 0.000 3.026 114 G HA2 0.138 4.098 3.960 0.001 0.000 0.208 114 G HA3 0.138 4.098 3.960 0.001 0.000 0.208 114 G C 0.534 175.565 174.900 0.218 0.000 1.169 114 G CA -0.019 45.215 45.100 0.224 0.000 0.788 114 G HN 0.436 8.726 8.290 -0.000 0.000 0.533 115 G N -0.621 108.268 108.800 0.149 0.000 2.699 115 G HA2 0.193 4.154 3.960 0.001 0.000 0.246 115 G HA3 0.193 4.154 3.960 0.001 0.000 0.246 115 G C 1.325 176.303 174.900 0.130 0.000 1.219 115 G CA 0.274 45.455 45.100 0.136 0.000 0.866 115 G HN 0.542 8.832 8.290 -0.000 0.000 0.572 116 C N -1.229 118.149 119.300 0.130 0.000 2.562 116 C HA 0.533 4.993 4.460 0.001 0.000 0.266 116 C C 2.072 177.146 174.990 0.141 0.000 1.382 116 C CA 0.159 59.255 59.018 0.130 0.000 1.742 116 C CB -1.016 26.806 27.740 0.136 0.000 1.812 116 C HN 0.755 8.985 8.230 -0.000 0.000 0.559 117 A N -0.251 122.658 122.820 0.148 0.000 2.589 117 A HA 0.485 4.805 4.320 0.001 0.000 0.283 117 A C 0.914 178.572 177.584 0.122 0.000 1.187 117 A CA -0.252 51.870 52.037 0.141 0.000 0.957 117 A CB -0.394 18.717 19.000 0.186 0.000 1.175 117 A HN 0.524 8.674 8.150 -0.000 0.000 0.532 118 K N -1.572 118.896 120.400 0.113 0.000 3.230 118 K HA -0.206 4.115 4.320 0.001 0.000 0.285 118 K C 0.827 177.473 176.600 0.077 0.000 1.196 118 K CA 0.771 57.117 56.287 0.099 0.000 0.838 118 K CB -1.840 30.732 32.500 0.120 0.000 1.262 118 K HN 1.773 10.023 8.250 -0.000 0.000 0.492 119 G N -0.223 108.628 108.800 0.085 0.000 2.136 119 G HA2 -0.328 3.632 3.960 0.001 0.000 0.242 119 G HA3 -0.328 3.632 3.960 0.001 0.000 0.242 119 G C 0.717 175.657 174.900 0.068 0.000 0.989 119 G CA 0.571 45.713 45.100 0.069 0.000 0.682 119 G HN 0.213 8.503 8.290 -0.000 0.000 0.522 120 K N -0.092 120.359 120.400 0.085 0.000 2.137 120 K HA 0.101 4.422 4.320 0.001 0.000 0.202 120 K C 2.508 179.160 176.600 0.086 0.000 1.052 120 K CA 1.388 57.717 56.287 0.070 0.000 0.961 120 K CB -0.320 32.226 32.500 0.077 0.000 0.741 120 K HN 0.452 8.702 8.250 -0.000 0.000 0.452 121 G N 0.095 108.983 108.800 0.146 0.000 2.608 121 G HA2 0.269 4.230 3.960 0.001 0.000 0.210 121 G HA3 0.269 4.230 3.960 0.001 0.000 0.210 121 G C 0.673 175.761 174.900 0.313 0.000 1.139 121 G CA 0.600 45.836 45.100 0.226 0.000 0.812 121 G HN 0.495 8.785 8.290 -0.000 0.000 0.529 122 G N -0.236 108.703 108.800 0.231 0.000 2.642 122 G HA2 -0.164 3.796 3.960 0.001 0.000 0.231 122 G HA3 -0.164 3.796 3.960 0.001 0.000 0.231 122 G C 1.166 176.208 174.900 0.237 0.000 1.338 122 G CA 0.646 45.876 45.100 0.216 0.000 0.883 122 G HN 1.059 9.349 8.290 -0.000 0.000 0.570 123 S N -0.672 115.173 115.700 0.242 0.000 2.368 123 S HA -0.071 4.400 4.470 0.001 0.000 0.225 123 S C 2.577 177.345 174.600 0.279 0.000 1.030 123 S CA 2.441 60.827 58.200 0.311 0.000 0.999 123 S CB -0.344 63.074 63.200 0.365 0.000 0.844 123 S HN 0.553 8.863 8.310 -0.000 0.000 0.459 124 M N 0.512 120.205 119.600 0.156 0.000 2.419 124 M HA 0.053 4.533 4.480 0.001 0.000 0.264 124 M C -0.020 176.063 176.300 -0.361 0.000 1.082 124 M CA 0.800 56.020 55.300 -0.135 0.000 1.119 124 M CB -0.098 32.303 32.600 -0.331 0.000 1.398 124 M HN 0.322 8.612 8.290 -0.000 0.000 0.453 125 H N 0.287 119.442 119.070 0.142 0.000 2.539 125 H HA 0.471 5.028 4.556 0.001 0.000 0.247 125 H C -0.877 174.497 175.328 0.076 0.000 1.363 125 H CA -0.136 55.956 56.048 0.074 0.000 1.371 125 H CB 0.023 29.933 29.762 0.248 0.000 1.438 125 H HN 0.235 8.515 8.280 -0.000 0.000 0.523 126 M N 1.920 121.520 119.600 0.000 0.000 2.436 126 M HA 0.404 4.885 4.480 0.001 0.000 0.331 126 M C -1.196 175.006 176.300 -0.165 0.000 1.135 126 M CA -0.686 54.681 55.300 0.113 0.000 0.987 126 M CB 1.901 34.640 32.600 0.232 0.000 1.687 126 M HN 0.257 8.547 8.290 -0.000 0.000 0.445 127 Y N 0.285 120.716 120.300 0.218 0.000 2.576 127 Y HA 0.907 5.457 4.550 0.001 0.000 0.346 127 Y C -0.072 175.952 175.900 0.207 0.000 1.018 127 Y CA -0.844 57.347 58.100 0.151 0.000 1.050 127 Y CB 2.024 40.497 38.460 0.022 0.000 1.280 127 Y HN 0.795 9.075 8.280 -0.000 0.000 0.474 128 A N 0.676 123.699 122.820 0.338 0.000 2.594 128 A HA 0.667 4.987 4.320 0.001 0.000 0.307 128 A C -1.530 176.106 177.584 0.088 0.000 1.203 128 A CA -1.038 51.113 52.037 0.189 0.000 0.644 128 A CB 0.780 19.867 19.000 0.146 0.000 1.349 128 A HN 0.433 8.583 8.150 -0.000 0.000 0.510 129 K N 1.234 121.658 120.400 0.039 0.000 2.419 129 K HA 0.239 4.559 4.320 0.001 0.000 0.282 129 K C -0.024 176.564 176.600 -0.021 0.000 1.056 129 K CA 1.148 57.434 56.287 -0.002 0.000 1.035 129 K CB -0.854 31.641 32.500 -0.008 0.000 0.921 129 K HN 0.605 8.855 8.250 -0.000 0.000 0.472 130 N N 1.727 120.376 118.700 -0.086 0.000 2.741 130 N HA -0.277 4.464 4.740 0.001 0.000 0.251 130 N C -1.189 174.300 175.510 -0.034 0.000 1.112 130 N CA 1.052 54.063 53.050 -0.064 0.000 0.750 130 N CB -1.559 36.852 38.487 -0.128 0.000 1.119 130 N HN 0.451 8.831 8.380 -0.000 0.000 0.561 131 F N 0.259 119.987 119.950 -0.370 0.000 2.427 131 F HA 0.428 4.955 4.527 0.000 0.000 0.348 131 F C -0.044 175.521 175.800 -0.392 0.000 1.125 131 F CA -1.131 56.729 58.000 -0.234 0.000 0.989 131 F CB 0.591 39.524 39.000 -0.111 0.000 1.165 131 F HN 0.017 8.317 8.300 -0.000 0.000 0.442 132 Y N 4.679 124.677 120.300 -0.504 0.000 2.532 132 Y HA 0.440 4.990 4.550 0.000 0.000 0.283 132 Y C 1.298 176.819 175.900 -0.632 0.000 1.181 132 Y CA 0.198 58.115 58.100 -0.305 0.000 1.256 132 Y CB -0.189 38.202 38.460 -0.114 0.000 1.112 132 Y HN 0.901 9.181 8.280 -0.000 0.000 0.521 133 G N -0.051 107.866 108.800 -1.472 0.000 2.681 133 G HA2 -0.031 3.929 3.960 0.001 0.000 0.220 133 G HA3 -0.031 3.929 3.960 0.001 0.000 0.220 133 G C 0.108 174.536 174.900 -0.787 0.000 1.353 133 G CA -0.693 43.564 45.100 -1.405 0.000 0.872 133 G HN 0.617 8.907 8.290 -0.000 0.000 0.557 134 G N -0.125 108.405 108.800 -0.450 0.000 2.389 134 G HA2 0.641 4.602 3.960 0.001 0.000 0.317 134 G HA3 0.641 4.602 3.960 0.001 0.000 0.317 134 G C -0.399 174.348 174.900 -0.254 0.000 1.137 134 G CA -0.278 44.670 45.100 -0.253 0.000 0.870 134 G HN 0.879 9.169 8.290 -0.000 0.000 0.496 135 N N 0.357 118.960 118.700 -0.162 0.000 2.235 135 N HA 0.314 5.055 4.740 0.001 0.000 0.293 135 N C 0.443 175.934 175.510 -0.031 0.000 1.083 135 N CA -0.611 52.410 53.050 -0.048 0.000 0.801 135 N CB 2.461 40.953 38.487 0.008 0.000 1.559 135 N HN 0.548 8.928 8.380 -0.000 0.000 0.472 136 G N 0.598 109.408 108.800 0.016 0.000 3.042 136 G HA2 0.116 4.076 3.960 0.001 0.000 0.212 136 G HA3 0.116 4.076 3.960 0.001 0.000 0.212 136 G C 0.425 175.363 174.900 0.063 0.000 1.166 136 G CA 0.177 45.303 45.100 0.044 0.000 0.767 136 G HN 0.458 8.748 8.290 -0.000 0.000 0.546 137 I N 2.086 122.698 120.570 0.069 0.000 2.315 137 I HA 0.193 4.363 4.170 0.001 0.000 0.291 137 I C 0.301 176.441 176.117 0.039 0.000 1.006 137 I CA -1.023 60.306 61.300 0.049 0.000 1.265 137 I CB 1.278 39.306 38.000 0.045 0.000 1.387 137 I HN -0.306 7.904 8.210 -0.000 0.000 0.475 138 V N 6.920 126.861 119.914 0.045 0.000 2.557 138 V HA 0.212 4.333 4.120 0.001 0.000 0.301 138 V C 1.417 177.500 176.094 -0.017 0.000 1.026 138 V CA 1.654 63.973 62.300 0.031 0.000 1.137 138 V CB 0.184 32.038 31.823 0.051 0.000 0.917 138 V HN 1.168 9.358 8.190 -0.000 0.000 0.484 139 G N 4.509 113.277 108.800 -0.053 0.000 2.320 139 G HA2 -0.279 3.682 3.960 0.001 0.000 0.242 139 G HA3 -0.279 3.682 3.960 0.001 0.000 0.242 139 G C 1.152 175.995 174.900 -0.096 0.000 1.033 139 G CA 0.576 45.612 45.100 -0.106 0.000 0.620 139 G HN 1.405 9.695 8.290 -0.000 0.000 0.517 140 A N 0.712 123.501 122.820 -0.052 0.000 1.997 140 A HA -0.143 4.177 4.320 0.001 0.000 0.221 140 A C 2.252 179.809 177.584 -0.045 0.000 1.172 140 A CA 2.807 54.823 52.037 -0.036 0.000 0.645 140 A CB -0.402 18.597 19.000 -0.002 0.000 0.813 140 A HN 1.187 9.337 8.150 -0.000 0.000 0.454 141 Q N -0.138 119.628 119.800 -0.056 0.000 2.389 141 Q HA -0.001 4.340 4.340 0.001 0.000 0.204 141 Q C 1.721 177.691 176.000 -0.051 0.000 0.944 141 Q CA 1.529 57.298 55.803 -0.056 0.000 0.908 141 Q CB -0.917 27.775 28.738 -0.076 0.000 1.002 141 Q HN 0.411 8.681 8.270 -0.000 0.000 0.493 142 V N 1.997 121.870 119.914 -0.068 0.000 2.295 142 V HA -0.143 3.977 4.120 0.001 0.000 0.246 142 V C -0.480 175.613 176.094 -0.001 0.000 1.049 142 V CA 1.815 64.092 62.300 -0.039 0.000 1.024 142 V CB -1.857 29.851 31.823 -0.192 0.000 0.648 142 V HN 0.264 8.454 8.190 -0.000 0.000 0.447 143 P HA -0.108 4.312 4.420 -0.000 0.000 0.217 143 P C 2.000 179.287 177.300 -0.022 0.000 1.150 143 P CA 1.316 64.401 63.100 -0.024 0.000 0.832 143 P CB -0.062 31.613 31.700 -0.042 0.000 0.787 144 L N -1.255 119.942 121.223 -0.043 0.000 2.046 144 L HA -0.123 4.217 4.340 0.001 0.000 0.208 144 L C 2.566 179.366 176.870 -0.116 0.000 1.077 144 L CA 2.007 56.803 54.840 -0.073 0.000 0.747 144 L CB -1.611 40.409 42.059 -0.065 0.000 0.896 144 L HN 0.109 8.339 8.230 -0.000 0.000 0.432 145 G N -0.461 108.284 108.800 -0.093 0.000 2.418 145 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 145 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 145 G C 1.764 176.588 174.900 -0.127 0.000 1.158 145 G CA 0.765 45.790 45.100 -0.125 0.000 0.771 145 G HN 0.470 8.760 8.290 -0.000 0.000 0.545 146 A N 0.801 123.594 122.820 -0.045 0.000 1.972 146 A HA 0.169 4.489 4.320 0.001 0.000 0.219 146 A C 2.640 180.223 177.584 -0.002 0.000 1.169 146 A CA 2.038 54.078 52.037 0.005 0.000 0.635 146 A CB -0.896 18.189 19.000 0.141 0.000 0.810 146 A HN 0.495 8.645 8.150 -0.000 0.000 0.446 147 G N 0.202 108.980 108.800 -0.037 0.000 2.414 147 G HA2 -0.170 3.790 3.960 0.001 0.000 0.215 147 G HA3 -0.170 3.790 3.960 0.001 0.000 0.215 147 G C 1.510 176.323 174.900 -0.145 0.000 1.188 147 G CA 1.080 46.143 45.100 -0.061 0.000 0.783 147 G HN 0.458 8.748 8.290 -0.000 0.000 0.537 148 I N 1.711 122.136 120.570 -0.242 0.000 2.151 148 I HA -0.261 3.910 4.170 0.001 0.000 0.243 148 I C 3.322 179.280 176.117 -0.265 0.000 1.080 148 I CA 1.164 62.244 61.300 -0.367 0.000 1.339 148 I CB -0.280 37.406 38.000 -0.524 0.000 1.039 148 I HN 0.248 8.458 8.210 -0.000 0.000 0.409 149 A N 0.781 123.501 122.820 -0.167 0.000 1.873 149 A HA -0.275 4.045 4.320 0.001 0.000 0.218 149 A C 2.305 179.871 177.584 -0.029 0.000 1.193 149 A CA 2.250 54.234 52.037 -0.089 0.000 0.629 149 A CB -1.058 17.896 19.000 -0.076 0.000 0.826 149 A HN 0.452 8.602 8.150 -0.000 0.000 0.447 150 L N -0.373 120.855 121.223 0.007 0.000 2.046 150 L HA -0.069 4.271 4.340 0.001 0.000 0.208 150 L C 2.610 179.491 176.870 0.017 0.000 1.077 150 L CA 2.344 57.221 54.840 0.062 0.000 0.747 150 L CB -0.729 41.391 42.059 0.102 0.000 0.896 150 L HN 0.356 8.586 8.230 -0.000 0.000 0.432 151 A N -0.842 121.933 122.820 -0.076 0.000 1.883 151 A HA -0.265 4.056 4.320 0.001 0.000 0.217 151 A C 2.393 179.982 177.584 0.008 0.000 1.186 151 A CA 1.958 53.939 52.037 -0.094 0.000 0.624 151 A CB -1.578 17.310 19.000 -0.185 0.000 0.822 151 A HN 0.675 8.825 8.150 -0.000 0.000 0.444 152 C N -0.685 118.591 119.300 -0.040 0.000 2.396 152 C HA -0.174 4.286 4.460 0.001 0.000 0.281 152 C C 2.731 177.759 174.990 0.063 0.000 1.208 152 C CA 1.606 60.632 59.018 0.013 0.000 1.754 152 C CB -1.127 26.618 27.740 0.007 0.000 2.044 152 C HN 0.788 9.018 8.230 -0.000 0.000 0.449 153 K N -0.553 119.886 120.400 0.064 0.000 2.127 153 K HA -0.305 4.015 4.320 0.001 0.000 0.212 153 K C 1.981 178.628 176.600 0.078 0.000 1.050 153 K CA 2.370 58.697 56.287 0.067 0.000 0.929 153 K CB -0.607 31.939 32.500 0.077 0.000 0.715 153 K HN 0.661 8.911 8.250 -0.000 0.000 0.457 154 Y N 1.164 121.444 120.300 -0.033 0.000 2.421 154 Y HA -0.098 4.453 4.550 0.000 0.000 0.292 154 Y C 1.050 176.931 175.900 -0.031 0.000 1.136 154 Y CA 1.483 59.557 58.100 -0.044 0.000 1.255 154 Y CB 0.191 38.616 38.460 -0.058 0.000 0.991 154 Y HN 0.249 8.529 8.280 -0.000 0.000 0.552 155 N N -0.108 118.680 118.700 0.147 0.000 2.230 155 N HA 0.107 4.847 4.740 0.001 0.000 0.202 155 N C 0.721 176.250 175.510 0.032 0.000 1.119 155 N CA 0.782 53.887 53.050 0.091 0.000 0.851 155 N CB 0.140 38.692 38.487 0.109 0.000 0.990 155 N HN 0.293 8.673 8.380 -0.000 0.000 0.497 156 G N 2.113 110.919 108.800 0.011 0.000 2.266 156 G HA2 -0.280 3.680 3.960 0.001 0.000 0.269 156 G HA3 -0.280 3.680 3.960 0.001 0.000 0.269 156 G C 0.715 175.626 174.900 0.019 0.000 0.863 156 G CA 0.512 45.614 45.100 0.004 0.000 1.268 156 G HN 0.181 8.471 8.290 -0.000 0.000 0.426 157 K N 0.221 120.644 120.400 0.039 0.000 2.447 157 K HA 0.135 4.455 4.320 0.001 0.000 0.205 157 K C 0.845 177.473 176.600 0.046 0.000 1.059 157 K CA 0.075 56.389 56.287 0.044 0.000 1.065 157 K CB 0.641 33.179 32.500 0.062 0.000 0.885 157 K HN 0.373 8.623 8.250 -0.000 0.000 0.545 158 D N 1.601 122.025 120.400 0.040 0.000 3.059 158 D HA -0.163 4.477 4.640 0.001 0.000 0.220 158 D C -0.439 175.893 176.300 0.053 0.000 1.169 158 D CA 1.081 55.102 54.000 0.036 0.000 0.902 158 D CB -0.721 40.093 40.800 0.023 0.000 1.116 158 D HN 0.387 8.757 8.370 -0.000 0.000 0.417 159 E N -0.535 119.714 120.200 0.082 0.000 2.373 159 E HA 0.392 4.742 4.350 0.001 0.000 0.263 159 E C 0.714 177.385 176.600 0.118 0.000 1.073 159 E CA -0.434 56.038 56.400 0.120 0.000 0.894 159 E CB 1.395 31.220 29.700 0.209 0.000 1.008 159 E HN 0.169 8.529 8.360 -0.000 0.000 0.420 160 V N -1.283 118.706 119.914 0.126 0.000 3.181 160 V HA 0.675 4.795 4.120 0.001 0.000 0.314 160 V C -0.724 175.444 176.094 0.123 0.000 1.173 160 V CA -0.998 61.358 62.300 0.094 0.000 1.052 160 V CB 1.822 33.683 31.823 0.063 0.000 1.123 160 V HN 0.824 9.014 8.190 -0.000 0.000 0.454 161 C N 1.635 120.965 119.300 0.049 0.000 2.535 161 C HA 0.779 5.239 4.460 0.001 0.000 0.319 161 C C -0.942 174.030 174.990 -0.030 0.000 1.171 161 C CA -0.347 58.694 59.018 0.039 0.000 1.394 161 C CB 0.246 27.969 27.740 -0.028 0.000 1.990 161 C HN 0.880 9.110 8.230 -0.000 0.000 0.466 162 L N 5.376 126.602 121.223 0.004 0.000 2.257 162 L HA 0.496 4.837 4.340 0.001 0.000 0.290 162 L C 0.479 177.311 176.870 -0.062 0.000 1.044 162 L CA 0.685 55.508 54.840 -0.028 0.000 0.810 162 L CB 1.586 43.649 42.059 0.007 0.000 1.193 162 L HN 0.735 8.965 8.230 -0.000 0.000 0.425 163 T N 4.771 119.275 114.554 -0.082 0.000 2.864 163 T HA 0.618 4.968 4.350 0.001 0.000 0.310 163 T C -0.192 174.536 174.700 0.048 0.000 1.040 163 T CA -0.430 61.642 62.100 -0.046 0.000 0.977 163 T CB 0.583 69.414 68.868 -0.061 0.000 0.976 163 T HN 0.084 8.324 8.240 -0.000 0.000 0.459 164 L N 3.731 124.933 121.223 -0.035 0.000 2.352 164 L HA 0.799 5.139 4.340 0.001 0.000 0.269 164 L C -0.554 176.332 176.870 0.027 0.000 1.034 164 L CA -0.814 53.981 54.840 -0.074 0.000 0.806 164 L CB 0.807 42.742 42.059 -0.208 0.000 1.244 164 L HN 0.722 8.952 8.230 -0.000 0.000 0.447 165 Y N -1.479 118.739 120.300 -0.137 0.000 2.620 165 Y HA 0.741 5.291 4.550 0.000 0.000 0.331 165 Y C -0.377 175.408 175.900 -0.191 0.000 1.173 165 Y CA -1.411 56.584 58.100 -0.175 0.000 1.076 165 Y CB 0.628 39.005 38.460 -0.138 0.000 1.336 165 Y HN 0.611 8.891 8.280 -0.000 0.000 0.459 166 G N 0.599 109.319 108.800 -0.133 0.000 2.488 166 G HA2 0.355 4.315 3.960 0.001 0.000 0.318 166 G HA3 0.355 4.315 3.960 0.001 0.000 0.318 166 G C 0.097 174.876 174.900 -0.201 0.000 1.188 166 G CA -0.257 44.702 45.100 -0.235 0.000 0.944 166 G HN 0.894 9.184 8.290 -0.000 0.000 0.495 167 D N 0.001 120.203 120.400 -0.330 0.000 2.133 167 D HA -0.144 4.496 4.640 0.001 0.000 0.195 167 D C 2.147 178.355 176.300 -0.154 0.000 0.997 167 D CA 1.541 55.265 54.000 -0.460 0.000 0.840 167 D CB -0.944 39.563 40.800 -0.488 0.000 0.947 167 D HN 0.501 8.871 8.370 -0.000 0.000 0.452 168 G N 0.345 109.102 108.800 -0.071 0.000 2.470 168 G HA2 -0.016 3.944 3.960 0.001 0.000 0.220 168 G HA3 -0.016 3.944 3.960 0.001 0.000 0.220 168 G C 1.513 176.435 174.900 0.036 0.000 1.121 168 G CA 0.875 45.979 45.100 0.007 0.000 0.766 168 G HN 0.584 8.874 8.290 -0.000 0.000 0.553 169 A N -0.006 122.833 122.820 0.033 0.000 2.387 169 A HA 0.701 5.021 4.320 0.001 0.000 0.234 169 A C 1.943 179.552 177.584 0.041 0.000 1.253 169 A CA 0.861 52.920 52.037 0.036 0.000 0.894 169 A CB 0.126 19.139 19.000 0.021 0.000 0.963 169 A HN 0.511 8.661 8.150 -0.000 0.000 0.508 170 A N 0.086 122.974 122.820 0.114 0.000 2.291 170 A HA 0.142 4.463 4.320 0.001 0.000 0.220 170 A C 0.872 178.567 177.584 0.186 0.000 1.262 170 A CA 0.340 52.476 52.037 0.165 0.000 0.867 170 A CB -0.363 18.822 19.000 0.308 0.000 0.888 170 A HN 0.446 8.596 8.150 -0.000 0.000 0.487 171 N N -0.623 118.172 118.700 0.158 0.000 2.143 171 N HA 0.030 4.771 4.740 0.001 0.000 0.229 171 N C -0.356 175.259 175.510 0.174 0.000 1.294 171 N CA -0.107 53.087 53.050 0.241 0.000 0.883 171 N CB 0.350 38.929 38.487 0.153 0.000 1.148 171 N HN 0.356 8.736 8.380 -0.000 0.000 0.511 172 Q N 0.577 120.421 119.800 0.073 0.000 2.361 172 Q HA 0.113 4.453 4.340 0.001 0.000 0.276 172 Q C 1.316 177.359 176.000 0.073 0.000 1.022 172 Q CA 0.231 56.043 55.803 0.016 0.000 0.898 172 Q CB 1.059 29.749 28.738 -0.080 0.000 1.246 172 Q HN 0.296 8.566 8.270 -0.000 0.000 0.410 173 G N 2.759 111.585 108.800 0.042 0.000 2.453 173 G HA2 -0.320 3.640 3.960 0.001 0.000 0.215 173 G HA3 -0.320 3.640 3.960 0.001 0.000 0.215 173 G C 1.074 175.995 174.900 0.036 0.000 1.201 173 G CA 0.970 46.107 45.100 0.061 0.000 0.784 173 G HN 0.781 9.071 8.290 -0.000 0.000 0.545 174 Q N 0.110 119.883 119.800 -0.045 0.000 2.325 174 Q HA -0.113 4.227 4.340 0.001 0.000 0.211 174 Q C 2.381 178.247 176.000 -0.223 0.000 0.988 174 Q CA 1.322 57.065 55.803 -0.101 0.000 0.887 174 Q CB -0.541 28.143 28.738 -0.091 0.000 0.915 174 Q HN 0.554 8.824 8.270 -0.000 0.000 0.440 175 I N 0.105 120.473 120.570 -0.337 0.000 2.163 175 I HA -0.231 3.939 4.170 0.001 0.000 0.240 175 I C 1.847 177.364 176.117 -1.000 0.000 1.081 175 I CA 1.309 62.159 61.300 -0.751 0.000 1.353 175 I CB -0.343 37.066 38.000 -0.985 0.000 1.054 175 I HN 0.120 8.330 8.210 -0.000 0.000 0.407 176 F N 1.185 120.800 119.950 -0.559 0.000 2.216 176 F HA -0.175 4.352 4.527 0.001 0.000 0.300 176 F C 2.501 178.158 175.800 -0.239 0.000 1.085 176 F CA 1.205 58.992 58.000 -0.355 0.000 1.326 176 F CB -0.696 38.231 39.000 -0.122 0.000 1.027 176 F HN 0.081 8.381 8.300 -0.000 0.000 0.497 177 E N 0.103 120.269 120.200 -0.056 0.000 2.077 177 E HA -0.200 4.150 4.350 0.001 0.000 0.193 177 E C 2.381 178.906 176.600 -0.126 0.000 0.989 177 E CA 1.050 57.414 56.400 -0.060 0.000 0.800 177 E CB -0.280 29.387 29.700 -0.056 0.000 0.746 177 E HN 0.380 8.740 8.360 -0.000 0.000 0.452 178 A N 0.101 122.780 122.820 -0.235 0.000 2.066 178 A HA -0.127 4.194 4.320 0.001 0.000 0.218 178 A C 1.587 179.061 177.584 -0.184 0.000 1.157 178 A CA 0.762 52.687 52.037 -0.186 0.000 0.670 178 A CB -0.421 18.504 19.000 -0.124 0.000 0.804 178 A HN 0.218 8.368 8.150 -0.000 0.000 0.453 179 Y N 0.233 120.349 120.300 -0.307 0.000 2.200 179 Y HA -0.185 4.366 4.550 0.000 0.000 0.290 179 Y C 2.370 178.318 175.900 0.079 0.000 1.137 179 Y CA 0.996 58.914 58.100 -0.303 0.000 1.163 179 Y CB -1.093 37.135 38.460 -0.387 0.000 0.988 179 Y HN 0.464 8.744 8.280 -0.000 0.000 0.518 180 N N 0.098 118.968 118.700 0.284 0.000 2.018 180 N HA -0.211 4.530 4.740 0.001 0.000 0.196 180 N C 1.736 177.165 175.510 -0.134 0.000 1.043 180 N CA 2.085 55.236 53.050 0.167 0.000 0.856 180 N CB -0.350 38.194 38.487 0.095 0.000 1.042 180 N HN 0.249 8.629 8.380 -0.000 0.000 0.423 181 M N -0.448 118.984 119.600 -0.279 0.000 2.175 181 M HA -0.037 4.443 4.480 0.001 0.000 0.264 181 M C 2.173 178.125 176.300 -0.580 0.000 1.063 181 M CA 1.323 56.183 55.300 -0.732 0.000 1.119 181 M CB -0.263 31.786 32.600 -0.918 0.000 1.377 181 M HN 0.291 8.581 8.290 -0.000 0.000 0.415 182 A N 0.653 123.402 122.820 -0.119 0.000 1.917 182 A HA -0.140 4.180 4.320 0.001 0.000 0.219 182 A C 2.365 180.024 177.584 0.125 0.000 1.182 182 A CA 2.190 54.309 52.037 0.137 0.000 0.633 182 A CB -0.915 18.364 19.000 0.466 0.000 0.819 182 A HN 0.506 8.656 8.150 -0.000 0.000 0.448 183 A N -0.952 121.923 122.820 0.091 0.000 1.872 183 A HA 0.075 4.395 4.320 0.001 0.000 0.214 183 A C 2.075 179.628 177.584 -0.052 0.000 1.187 183 A CA 1.501 53.575 52.037 0.061 0.000 0.614 183 A CB -0.668 18.356 19.000 0.040 0.000 0.826 183 A HN 0.539 8.689 8.150 -0.000 0.000 0.442 184 L N -1.289 119.815 121.223 -0.197 0.000 2.081 184 L HA -0.161 4.180 4.340 0.001 0.000 0.212 184 L C 1.630 178.517 176.870 0.029 0.000 1.080 184 L CA 1.614 56.334 54.840 -0.199 0.000 0.754 184 L CB -0.410 41.385 42.059 -0.439 0.000 0.893 184 L HN 0.669 8.899 8.230 -0.000 0.000 0.433 185 W N -0.606 120.717 121.300 0.038 0.000 3.132 185 W HA 0.280 4.940 4.660 0.001 0.000 0.364 185 W C 0.565 177.111 176.519 0.045 0.000 1.129 185 W CA -0.771 56.597 57.345 0.038 0.000 1.815 185 W CB -0.889 28.597 29.460 0.045 0.000 1.099 185 W HN 0.026 8.206 8.180 -0.000 0.000 0.605 186 K N 0.904 121.428 120.400 0.207 0.000 4.040 186 K HA -0.203 4.117 4.320 0.001 0.000 0.279 186 K C -0.276 176.424 176.600 0.168 0.000 0.890 186 K CA 0.389 56.771 56.287 0.158 0.000 0.782 186 K CB -1.733 30.831 32.500 0.106 0.000 1.613 186 K HN 0.117 8.367 8.250 -0.000 0.000 0.440 187 L N 1.957 123.296 121.223 0.193 0.000 2.312 187 L HA 0.293 4.634 4.340 0.001 0.000 0.281 187 L C -1.361 175.576 176.870 0.112 0.000 1.070 187 L CA -2.273 52.666 54.840 0.164 0.000 0.805 187 L CB 0.859 43.034 42.059 0.193 0.000 1.174 187 L HN 0.094 8.324 8.230 -0.000 0.000 0.434 188 P HA 0.001 4.421 4.420 -0.000 0.000 0.231 188 P C -0.494 176.809 177.300 0.006 0.000 1.756 188 P CA -0.072 63.061 63.100 0.054 0.000 0.990 188 P CB -0.272 31.455 31.700 0.045 0.000 1.973 189 C N 3.756 123.033 119.300 -0.038 0.000 2.301 189 C HA 0.512 4.972 4.460 0.001 0.000 0.323 189 C C 0.127 174.939 174.990 -0.296 0.000 1.265 189 C CA -0.966 57.906 59.018 -0.243 0.000 1.503 189 C CB -0.764 26.722 27.740 -0.424 0.000 2.195 189 C HN 0.312 8.542 8.230 -0.000 0.000 0.477 190 I N 6.838 127.270 120.570 -0.230 0.000 2.291 190 I HA 0.295 4.465 4.170 0.001 0.000 0.290 190 I C -0.593 175.449 176.117 -0.126 0.000 1.050 190 I CA 0.042 61.283 61.300 -0.098 0.000 1.245 190 I CB 0.315 38.313 38.000 -0.004 0.000 1.405 190 I HN 0.496 8.706 8.210 -0.000 0.000 0.478 191 F N 7.203 127.230 119.950 0.129 0.000 2.404 191 F HA 0.447 4.974 4.527 0.001 0.000 0.358 191 F C 0.346 176.221 175.800 0.125 0.000 1.120 191 F CA -0.283 57.838 58.000 0.202 0.000 1.144 191 F CB 0.551 39.757 39.000 0.343 0.000 1.133 191 F HN 0.244 8.544 8.300 -0.000 0.000 0.495 192 I N 3.684 124.351 120.570 0.162 0.000 2.406 192 I HA 0.239 4.409 4.170 0.001 0.000 0.290 192 I C -0.799 175.048 176.117 -0.449 0.000 0.999 192 I CA -0.647 60.609 61.300 -0.073 0.000 1.124 192 I CB 1.640 39.598 38.000 -0.070 0.000 1.289 192 I HN 0.556 8.766 8.210 -0.000 0.000 0.441 193 C N 6.677 125.662 119.300 -0.526 0.000 2.239 193 C HA 0.300 4.760 4.460 0.001 0.000 0.323 193 C C 0.552 175.255 174.990 -0.479 0.000 1.205 193 C CA -0.518 57.973 59.018 -0.879 0.000 1.584 193 C CB -0.603 26.724 27.740 -0.687 0.000 2.201 193 C HN 0.759 8.989 8.230 -0.000 0.000 0.475 194 E N 3.992 123.940 120.200 -0.420 0.000 1.833 194 E HA -0.014 4.336 4.350 0.001 0.000 0.258 194 E C -0.002 176.427 176.600 -0.285 0.000 1.257 194 E CA 0.209 56.451 56.400 -0.264 0.000 1.003 194 E CB -0.003 29.577 29.700 -0.200 0.000 1.068 194 E HN 0.667 9.027 8.360 -0.000 0.000 0.422 195 N N 3.468 122.014 118.700 -0.257 0.000 2.469 195 N HA -0.007 4.733 4.740 0.001 0.000 0.239 195 N C -0.698 174.719 175.510 -0.155 0.000 1.053 195 N CA -0.614 52.286 53.050 -0.251 0.000 0.937 195 N CB 0.313 38.690 38.487 -0.185 0.000 1.163 195 N HN 0.175 8.555 8.380 -0.000 0.000 0.509 196 N N 3.248 121.839 118.700 -0.182 0.000 2.920 196 N HA 0.212 4.953 4.740 0.001 0.000 0.310 196 N C -0.377 174.989 175.510 -0.241 0.000 1.384 196 N CA -0.430 52.498 53.050 -0.205 0.000 1.083 196 N CB -0.213 38.123 38.487 -0.253 0.000 1.389 196 N HN 0.436 8.816 8.380 -0.000 0.000 0.521 205 E N 1.803 122.038 120.200 0.059 0.000 2.279 205 E HA -0.323 4.028 4.350 0.001 0.000 0.205 205 E C 1.684 178.299 176.600 0.025 0.000 1.028 205 E CA 2.549 58.967 56.400 0.030 0.000 0.830 205 E CB -0.369 29.343 29.700 0.019 0.000 0.736 205 E HN 0.770 9.130 8.360 -0.000 0.000 0.478 206 R N -0.353 120.166 120.500 0.032 0.000 2.359 206 R HA 0.309 4.650 4.340 0.001 0.000 0.231 206 R C 1.414 177.733 176.300 0.032 0.000 0.913 206 R CA 0.496 56.612 56.100 0.026 0.000 1.075 206 R CB 0.659 30.973 30.300 0.023 0.000 1.087 206 R HN 0.300 8.570 8.270 -0.000 0.000 0.515 207 A N 0.733 123.581 122.820 0.046 0.000 1.995 207 A HA 0.432 4.753 4.320 0.001 0.000 0.200 207 A C 0.772 178.395 177.584 0.066 0.000 1.566 207 A CA 0.204 52.274 52.037 0.055 0.000 0.895 207 A CB 0.274 19.314 19.000 0.066 0.000 1.046 207 A HN 0.206 8.356 8.150 -0.000 0.000 0.523 208 A N -0.319 122.553 122.820 0.087 0.000 2.310 208 A HA 0.650 4.971 4.320 0.001 0.000 0.299 208 A C 1.112 178.700 177.584 0.007 0.000 1.147 208 A CA 0.237 52.319 52.037 0.074 0.000 0.818 208 A CB 0.747 19.826 19.000 0.131 0.000 1.096 208 A HN 1.132 9.282 8.150 -0.000 0.000 0.495 209 A N 1.455 124.268 122.820 -0.013 0.000 1.970 209 A HA 0.294 4.615 4.320 0.001 0.000 0.216 209 A C 1.347 178.888 177.584 -0.072 0.000 1.170 209 A CA 1.542 53.557 52.037 -0.038 0.000 0.645 209 A CB -0.256 18.720 19.000 -0.039 0.000 0.816 209 A HN 1.483 9.633 8.150 -0.000 0.000 0.447 210 S N -0.660 114.973 115.700 -0.111 0.000 2.561 210 S HA 0.384 4.854 4.470 0.001 0.000 0.303 210 S C 0.541 174.922 174.600 -0.364 0.000 1.110 210 S CA 0.226 58.316 58.200 -0.184 0.000 1.034 210 S CB 1.340 64.434 63.200 -0.176 0.000 1.010 210 S HN 0.455 8.765 8.310 -0.000 0.000 0.482 211 T N 0.265 114.586 114.554 -0.389 0.000 3.169 211 T HA 0.189 4.539 4.350 0.001 0.000 0.250 211 T C -0.186 174.135 174.700 -0.631 0.000 1.111 211 T CA -0.124 61.571 62.100 -0.676 0.000 1.010 211 T CB -0.443 68.280 68.868 -0.242 0.000 0.984 211 T HN 0.514 8.754 8.240 -0.000 0.000 0.537 212 D N 1.869 122.017 120.400 -0.419 0.000 2.600 212 D HA 0.181 4.821 4.640 0.001 0.000 0.226 212 D C 0.230 176.349 176.300 -0.301 0.000 1.119 212 D CA -0.282 53.561 54.000 -0.261 0.000 1.051 212 D CB -0.179 40.445 40.800 -0.293 0.000 1.106 212 D HN 0.375 8.745 8.370 -0.000 0.000 0.491 213 Y N 0.150 120.467 120.300 0.028 0.000 2.274 213 Y HA -0.259 4.291 4.550 0.001 0.000 0.290 213 Y C 2.105 177.989 175.900 -0.027 0.000 1.145 213 Y CA 0.841 58.948 58.100 0.011 0.000 1.203 213 Y CB -0.719 37.769 38.460 0.046 0.000 0.984 213 Y HN 0.440 8.720 8.280 -0.000 0.000 0.533 214 Y N -0.495 119.813 120.300 0.013 0.000 2.497 214 Y HA 0.014 4.564 4.550 0.000 0.000 0.292 214 Y C 1.417 177.176 175.900 -0.235 0.000 1.137 214 Y CA 0.359 58.417 58.100 -0.070 0.000 1.285 214 Y CB -0.802 37.634 38.460 -0.040 0.000 0.991 214 Y HN -0.064 8.216 8.280 -0.000 0.000 0.556 215 K N 0.032 119.917 120.400 -0.858 0.000 2.361 215 K HA 0.137 4.457 4.320 0.001 0.000 0.194 215 K C 1.648 177.849 176.600 -0.666 0.000 1.032 215 K CA -0.152 55.465 56.287 -1.118 0.000 1.048 215 K CB 0.174 31.963 32.500 -1.185 0.000 0.842 215 K HN 0.134 8.384 8.250 -0.000 0.000 0.526 216 R N 0.458 120.712 120.500 -0.410 0.000 2.241 216 R HA -0.048 4.293 4.340 0.001 0.000 0.224 216 R C 1.992 178.056 176.300 -0.392 0.000 1.101 216 R CA 0.892 56.855 56.100 -0.228 0.000 0.995 216 R CB -0.574 29.708 30.300 -0.030 0.000 0.870 216 R HN 0.283 8.553 8.270 -0.000 0.000 0.463 217 G N 0.865 109.267 108.800 -0.663 0.000 2.471 217 G HA2 -0.298 3.662 3.960 0.001 0.000 0.219 217 G HA3 -0.298 3.662 3.960 0.001 0.000 0.219 217 G C 0.629 175.048 174.900 -0.801 0.000 1.125 217 G CA 0.954 45.458 45.100 -0.994 0.000 0.775 217 G HN 0.341 8.631 8.290 -0.000 0.000 0.548 218 D N 0.135 120.250 120.400 -0.475 0.000 4.486 218 D HA -0.303 4.337 4.640 0.001 0.000 0.217 218 D C 1.369 177.614 176.300 -0.093 0.000 0.900 218 D CA 2.363 56.190 54.000 -0.288 0.000 2.015 218 D CB -1.752 38.834 40.800 -0.356 0.000 1.125 218 D HN 0.669 9.039 8.370 -0.000 0.000 0.408 219 F N 0.617 120.586 119.950 0.032 0.000 2.727 219 F HA 0.501 5.028 4.527 0.001 0.000 0.302 219 F C 0.840 176.655 175.800 0.025 0.000 1.097 219 F CA -0.657 57.361 58.000 0.030 0.000 1.330 219 F CB -0.302 38.710 39.000 0.020 0.000 1.084 219 F HN 0.041 8.341 8.300 -0.000 0.000 0.578 220 I N 4.457 125.080 120.570 0.090 0.000 2.339 220 I HA 0.314 4.485 4.170 0.001 0.000 0.290 220 I C -2.211 173.962 176.117 0.094 0.000 0.994 220 I CA -2.401 58.971 61.300 0.120 0.000 1.191 220 I CB 1.659 39.642 38.000 -0.029 0.000 1.343 220 I HN -0.214 7.996 8.210 -0.000 0.000 0.458 221 P HA 0.181 4.601 4.420 -0.000 0.000 0.269 221 P C -0.289 177.083 177.300 0.119 0.000 1.209 221 P CA 0.061 63.224 63.100 0.106 0.000 0.776 221 P CB 1.071 32.791 31.700 0.034 0.000 0.876 222 G N 1.710 110.647 108.800 0.228 0.000 2.672 222 G HA2 0.703 4.663 3.960 0.001 0.000 0.292 222 G HA3 0.703 4.663 3.960 0.001 0.000 0.292 222 G C -1.292 173.778 174.900 0.283 0.000 1.375 222 G CA -0.967 44.266 45.100 0.222 0.000 0.890 222 G HN 0.643 8.933 8.290 -0.000 0.000 0.476 223 L N -1.517 119.797 121.223 0.152 0.000 2.422 223 L HA 0.888 5.228 4.340 0.001 0.000 0.264 223 L C -0.584 176.158 176.870 -0.213 0.000 0.984 223 L CA -1.274 53.542 54.840 -0.040 0.000 0.819 223 L CB 2.541 44.535 42.059 -0.109 0.000 1.330 223 L HN 0.533 8.763 8.230 -0.000 0.000 0.410 224 R N 2.264 122.459 120.500 -0.508 0.000 2.255 224 R HA 0.736 5.076 4.340 0.001 0.000 0.326 224 R C -1.445 174.686 176.300 -0.282 0.000 0.986 224 R CA -0.383 55.412 56.100 -0.508 0.000 0.847 224 R CB 1.588 31.366 30.300 -0.869 0.000 1.111 224 R HN 0.681 8.951 8.270 -0.000 0.000 0.452 225 V N 3.209 123.014 119.914 -0.181 0.000 2.715 225 V HA 0.191 4.311 4.120 0.001 0.000 0.310 225 V C -0.505 175.526 176.094 -0.105 0.000 1.054 225 V CA -0.922 61.297 62.300 -0.135 0.000 0.928 225 V CB 1.873 33.634 31.823 -0.103 0.000 1.007 225 V HN 0.780 8.970 8.190 -0.000 0.000 0.437 226 D N 2.621 122.967 120.400 -0.090 0.000 2.338 226 D HA 0.280 4.920 4.640 0.001 0.000 0.255 226 D C 1.047 177.308 176.300 -0.066 0.000 1.237 226 D CA 0.200 54.159 54.000 -0.068 0.000 0.883 226 D CB 1.380 42.146 40.800 -0.057 0.000 1.087 226 D HN 0.667 9.037 8.370 -0.000 0.000 0.485 227 G N 3.475 112.237 108.800 -0.063 0.000 3.181 227 G HA2 -0.034 3.926 3.960 0.001 0.000 0.219 227 G HA3 -0.034 3.926 3.960 0.001 0.000 0.219 227 G C 0.981 175.836 174.900 -0.075 0.000 1.182 227 G CA -0.042 45.015 45.100 -0.072 0.000 0.791 227 G HN 0.446 8.736 8.290 -0.000 0.000 0.537 228 M N 0.119 119.681 119.600 -0.063 0.000 2.545 228 M HA 0.166 4.646 4.480 0.001 0.000 0.264 228 M C 0.315 176.574 176.300 -0.069 0.000 1.155 228 M CA 0.152 55.414 55.300 -0.063 0.000 1.162 228 M CB -0.296 32.279 32.600 -0.042 0.000 1.330 228 M HN 0.069 8.359 8.290 -0.000 0.000 0.479 229 D N 2.196 122.556 120.400 -0.067 0.000 2.359 229 D HA 0.054 4.695 4.640 0.001 0.000 0.250 229 D C 1.075 177.321 176.300 -0.090 0.000 1.264 229 D CA -0.060 53.895 54.000 -0.075 0.000 0.911 229 D CB 0.731 41.493 40.800 -0.064 0.000 1.056 229 D HN 0.212 8.582 8.370 -0.000 0.000 0.499 230 I N 3.961 124.468 120.570 -0.105 0.000 2.623 230 I HA -0.223 3.948 4.170 0.001 0.000 0.261 230 I C 1.239 177.277 176.117 -0.131 0.000 1.204 230 I CA 1.435 62.653 61.300 -0.138 0.000 1.444 230 I CB 0.159 38.066 38.000 -0.154 0.000 1.094 230 I HN 0.513 8.723 8.210 -0.000 0.000 0.451 231 L N -0.611 120.556 121.223 -0.094 0.000 2.307 231 L HA -0.059 4.281 4.340 0.001 0.000 0.211 231 L C 2.371 179.223 176.870 -0.031 0.000 1.099 231 L CA 0.640 55.448 54.840 -0.053 0.000 0.816 231 L CB -0.473 41.561 42.059 -0.041 0.000 0.952 231 L HN 0.420 8.650 8.230 -0.000 0.000 0.455 232 C N -1.843 117.430 119.300 -0.046 0.000 2.492 232 C HA 0.012 4.473 4.460 0.001 0.000 0.279 232 C C 2.680 177.642 174.990 -0.047 0.000 1.335 232 C CA -0.497 58.495 59.018 -0.043 0.000 1.734 232 C CB -0.760 26.944 27.740 -0.059 0.000 2.027 232 C HN 0.251 8.481 8.230 -0.000 0.000 0.496 233 V N 1.754 121.630 119.914 -0.063 0.000 2.231 233 V HA -0.311 3.810 4.120 0.001 0.000 0.250 233 V C 2.924 178.989 176.094 -0.049 0.000 1.058 233 V CA 2.566 64.828 62.300 -0.063 0.000 1.022 233 V CB -0.814 30.955 31.823 -0.090 0.000 0.640 233 V HN 0.543 8.733 8.190 -0.000 0.000 0.445 234 R N -0.574 119.883 120.500 -0.072 0.000 2.091 234 R HA -0.190 4.151 4.340 0.001 0.000 0.238 234 R C 2.387 178.697 176.300 0.017 0.000 1.136 234 R CA 1.706 57.778 56.100 -0.047 0.000 0.959 234 R CB -0.167 30.089 30.300 -0.073 0.000 0.856 234 R HN 0.515 8.785 8.270 -0.000 0.000 0.437 235 E N 0.366 120.580 120.200 0.023 0.000 2.015 235 E HA -0.142 4.208 4.350 0.001 0.000 0.191 235 E C 1.923 178.573 176.600 0.082 0.000 0.991 235 E CA 1.392 57.824 56.400 0.053 0.000 0.802 235 E CB -0.512 29.206 29.700 0.030 0.000 0.759 235 E HN 0.423 8.783 8.360 -0.000 0.000 0.447 236 A N 0.752 123.592 122.820 0.033 0.000 1.917 236 A HA -0.223 4.098 4.320 0.001 0.000 0.219 236 A C 2.484 180.161 177.584 0.155 0.000 1.182 236 A CA 2.477 54.548 52.037 0.056 0.000 0.633 236 A CB -1.075 17.913 19.000 -0.019 0.000 0.819 236 A HN 0.300 8.450 8.150 -0.000 0.000 0.448 237 T N -0.295 114.314 114.554 0.093 0.000 2.674 237 T HA -0.147 4.203 4.350 0.001 0.000 0.265 237 T C 2.043 176.814 174.700 0.119 0.000 1.039 237 T CA 1.444 63.600 62.100 0.093 0.000 1.150 237 T CB -0.276 68.622 68.868 0.050 0.000 0.864 237 T HN 0.494 8.734 8.240 -0.000 0.000 0.427 238 R N 0.104 120.673 120.500 0.115 0.000 2.127 238 R HA -0.063 4.278 4.340 0.001 0.000 0.238 238 R C 2.256 178.644 176.300 0.147 0.000 1.134 238 R CA 1.192 57.359 56.100 0.113 0.000 0.975 238 R CB -0.697 29.663 30.300 0.101 0.000 0.865 238 R HN 0.445 8.715 8.270 -0.000 0.000 0.447 239 F N 1.470 121.447 119.950 0.045 0.000 2.102 239 F HA -0.214 4.313 4.527 0.001 0.000 0.298 239 F C 2.326 178.179 175.800 0.089 0.000 1.105 239 F CA 1.706 59.742 58.000 0.059 0.000 1.239 239 F CB -0.229 38.792 39.000 0.035 0.000 0.991 239 F HN -0.031 8.269 8.300 -0.000 0.000 0.474 240 A N 0.410 123.314 122.820 0.140 0.000 1.897 240 A HA 0.070 4.390 4.320 0.001 0.000 0.215 240 A C 2.357 179.968 177.584 0.046 0.000 1.181 240 A CA 1.301 53.365 52.037 0.044 0.000 0.620 240 A CB -1.540 17.547 19.000 0.145 0.000 0.821 240 A HN 0.521 8.671 8.150 -0.000 0.000 0.443 241 A N -0.006 122.848 122.820 0.057 0.000 1.978 241 A HA 0.131 4.452 4.320 0.001 0.000 0.220 241 A C 2.435 180.034 177.584 0.026 0.000 1.170 241 A CA 2.091 54.158 52.037 0.049 0.000 0.636 241 A CB -0.861 18.169 19.000 0.049 0.000 0.810 241 A HN 0.963 9.113 8.150 -0.000 0.000 0.448 242 A N -1.387 121.429 122.820 -0.006 0.000 1.855 242 A HA -0.076 4.244 4.320 0.001 0.000 0.215 242 A C 2.135 179.684 177.584 -0.058 0.000 1.191 242 A CA 1.551 53.566 52.037 -0.038 0.000 0.613 242 A CB -0.925 18.041 19.000 -0.058 0.000 0.829 242 A HN 0.722 8.872 8.150 -0.000 0.000 0.442 243 Y N 0.167 120.312 120.300 -0.257 0.000 2.193 243 Y HA -0.309 4.241 4.550 0.001 0.000 0.285 243 Y C 2.462 178.295 175.900 -0.112 0.000 1.166 243 Y CA 1.726 59.677 58.100 -0.248 0.000 1.181 243 Y CB -0.639 37.590 38.460 -0.384 0.000 0.976 243 Y HN 0.375 8.655 8.280 -0.000 0.000 0.520 244 C N 0.107 119.493 119.300 0.144 0.000 2.475 244 C HA -0.026 4.434 4.460 0.001 0.000 0.279 244 C C 2.617 177.602 174.990 -0.009 0.000 1.322 244 C CA 0.732 59.801 59.018 0.085 0.000 1.734 244 C CB -1.018 26.794 27.740 0.121 0.000 2.005 244 C HN 0.501 8.731 8.230 -0.000 0.000 0.495 245 R N 1.452 121.944 120.500 -0.012 0.000 2.189 245 R HA -0.104 4.237 4.340 0.001 0.000 0.223 245 R C 2.194 178.461 176.300 -0.055 0.000 1.092 245 R CA 1.580 57.668 56.100 -0.020 0.000 0.989 245 R CB -0.362 29.934 30.300 -0.007 0.000 0.876 245 R HN 0.668 8.938 8.270 -0.000 0.000 0.457 246 S N -0.295 115.340 115.700 -0.109 0.000 2.555 246 S HA -0.004 4.467 4.470 0.001 0.000 0.230 246 S C 1.376 175.895 174.600 -0.135 0.000 0.978 246 S CA 0.628 58.748 58.200 -0.133 0.000 0.934 246 S CB 0.094 63.182 63.200 -0.186 0.000 0.766 246 S HN 0.498 8.808 8.310 -0.000 0.000 0.533 247 G N 1.584 110.312 108.800 -0.119 0.000 2.176 247 G HA2 -0.261 3.699 3.960 0.001 0.000 0.252 247 G HA3 -0.261 3.699 3.960 0.001 0.000 0.252 247 G C 0.551 175.373 174.900 -0.129 0.000 1.024 247 G CA 0.456 45.504 45.100 -0.087 0.000 0.755 247 G HN 0.557 8.847 8.290 -0.000 0.000 0.507 248 K N 0.319 120.550 120.400 -0.282 0.000 2.525 248 K HA 0.316 4.637 4.320 0.001 0.000 0.192 248 K C 1.848 178.401 176.600 -0.079 0.000 1.029 248 K CA 0.605 56.697 56.287 -0.325 0.000 1.029 248 K CB 0.042 31.997 32.500 -0.908 0.000 0.814 248 K HN 1.453 9.703 8.250 -0.000 0.000 0.503 249 G N 2.378 111.181 108.800 0.006 0.000 2.593 249 G HA2 -0.247 3.714 3.960 0.001 0.000 0.237 249 G HA3 -0.247 3.714 3.960 0.001 0.000 0.237 249 G C -2.691 172.378 174.900 0.281 0.000 1.312 249 G CA -0.722 44.463 45.100 0.142 0.000 0.896 249 G HN 0.049 8.339 8.290 -0.000 0.000 0.574 250 P HA 0.498 4.918 4.420 -0.000 0.000 0.270 250 P C -0.264 177.239 177.300 0.337 0.000 1.223 250 P CA 0.251 63.554 63.100 0.339 0.000 0.785 250 P CB 1.154 33.136 31.700 0.470 0.000 0.923 251 I N 1.061 121.798 120.570 0.279 0.000 2.680 251 I HA 0.250 4.421 4.170 0.001 0.000 0.291 251 I C -1.221 175.019 176.117 0.205 0.000 1.244 251 I CA -1.198 60.182 61.300 0.133 0.000 1.042 251 I CB 1.782 39.707 38.000 -0.124 0.000 1.277 251 I HN 0.084 8.294 8.210 -0.000 0.000 0.423 252 L N 7.136 128.448 121.223 0.147 0.000 2.421 252 L HA 0.567 4.907 4.340 0.001 0.000 0.263 252 L C -0.344 176.600 176.870 0.122 0.000 1.122 252 L CA 0.080 55.016 54.840 0.160 0.000 0.804 252 L CB 1.337 43.421 42.059 0.042 0.000 1.150 252 L HN 0.641 8.871 8.230 -0.000 0.000 0.457 253 M N 2.578 122.241 119.600 0.104 0.000 2.234 253 M HA 0.256 4.736 4.480 0.001 0.000 0.267 253 M C -1.392 174.914 176.300 0.010 0.000 1.022 253 M CA -0.375 54.958 55.300 0.055 0.000 0.993 253 M CB 1.306 33.935 32.600 0.048 0.000 1.836 253 M HN 0.617 8.907 8.290 -0.000 0.000 0.479 254 E N 5.098 125.302 120.200 0.008 0.000 2.046 254 E HA 0.293 4.644 4.350 0.001 0.000 0.279 254 E C -1.481 175.079 176.600 -0.067 0.000 0.989 254 E CA -0.702 55.688 56.400 -0.018 0.000 0.798 254 E CB 0.853 30.608 29.700 0.091 0.000 1.086 254 E HN 0.593 8.953 8.360 -0.000 0.000 0.399 255 L N 4.796 125.965 121.223 -0.091 0.000 2.342 255 L HA 0.159 4.499 4.340 0.001 0.000 0.285 255 L C 0.198 177.017 176.870 -0.085 0.000 1.095 255 L CA 0.426 55.214 54.840 -0.086 0.000 0.843 255 L CB 0.774 42.783 42.059 -0.084 0.000 1.201 255 L HN 0.606 8.836 8.230 -0.000 0.000 0.445 256 Q N 1.978 121.740 119.800 -0.065 0.000 2.295 256 Q HA 0.414 4.754 4.340 0.001 0.000 0.259 256 Q C 0.321 176.298 176.000 -0.040 0.000 0.976 256 Q CA 0.140 55.918 55.803 -0.042 0.000 0.923 256 Q CB 1.305 30.030 28.738 -0.022 0.000 1.185 256 Q HN 0.709 8.979 8.270 -0.000 0.000 0.410 257 T N 1.524 116.054 114.554 -0.040 0.000 2.590 257 T HA 0.553 4.904 4.350 0.001 0.000 0.282 257 T C -2.178 172.538 174.700 0.027 0.000 0.989 257 T CA -0.451 61.629 62.100 -0.033 0.000 1.091 257 T CB 0.997 69.812 68.868 -0.087 0.000 1.460 257 T HN 0.502 8.742 8.240 -0.000 0.000 0.499 258 Y N 1.889 122.100 120.300 -0.150 0.000 2.264 258 Y HA 0.398 4.948 4.550 0.001 0.000 0.321 258 Y C -0.401 175.339 175.900 -0.267 0.000 1.199 258 Y CA -0.891 57.120 58.100 -0.149 0.000 1.175 258 Y CB 0.955 39.359 38.460 -0.095 0.000 1.213 258 Y HN 0.802 9.082 8.280 -0.000 0.000 0.414 259 R N 3.336 123.677 120.500 -0.265 0.000 2.438 259 R HA 0.199 4.539 4.340 0.001 0.000 0.287 259 R C -0.534 175.792 176.300 0.043 0.000 1.077 259 R CA -0.209 55.782 56.100 -0.182 0.000 1.034 259 R CB 0.680 30.903 30.300 -0.128 0.000 0.993 259 R HN 0.616 8.886 8.270 -0.000 0.000 0.459 260 Y N 1.274 121.622 120.300 0.080 0.000 2.184 260 Y HA -0.004 4.547 4.550 0.001 0.000 0.290 260 Y C 0.796 176.610 175.900 -0.143 0.000 1.129 260 Y CA 0.815 58.891 58.100 -0.039 0.000 1.144 260 Y CB -0.583 37.743 38.460 -0.223 0.000 0.995 260 Y HN 0.679 8.959 8.280 -0.000 0.000 0.513 275 R N 0.927 121.455 120.500 0.048 0.000 2.105 275 R HA -0.096 4.245 4.340 0.001 0.000 0.239 275 R C 2.238 178.546 176.300 0.013 0.000 1.135 275 R CA 2.104 58.226 56.100 0.037 0.000 0.967 275 R CB -0.444 29.874 30.300 0.030 0.000 0.861 275 R HN 0.899 9.169 8.270 -0.000 0.000 0.442 276 E N 1.086 121.291 120.200 0.008 0.000 2.152 276 E HA -0.195 4.156 4.350 0.001 0.000 0.192 276 E C 1.744 178.329 176.600 -0.025 0.000 0.983 276 E CA 0.793 57.186 56.400 -0.012 0.000 0.818 276 E CB -0.237 29.459 29.700 -0.006 0.000 0.758 276 E HN 0.385 8.745 8.360 -0.000 0.000 0.467 277 E N 1.073 121.268 120.200 -0.008 0.000 2.268 277 E HA -0.145 4.206 4.350 0.001 0.000 0.195 277 E C 2.073 178.605 176.600 -0.112 0.000 0.995 277 E CA 0.558 56.937 56.400 -0.036 0.000 0.836 277 E CB -0.033 29.676 29.700 0.016 0.000 0.763 277 E HN 0.400 8.760 8.360 -0.000 0.000 0.491 278 I N 0.805 121.340 120.570 -0.058 0.000 2.226 278 I HA -0.287 3.883 4.170 0.001 0.000 0.245 278 I C 2.614 178.633 176.117 -0.163 0.000 1.100 278 I CA 0.867 62.119 61.300 -0.081 0.000 1.374 278 I CB -0.233 37.768 38.000 0.002 0.000 1.057 278 I HN 0.153 8.363 8.210 -0.000 0.000 0.413 279 Q N 0.626 120.346 119.800 -0.133 0.000 2.020 279 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 279 Q C 2.034 177.958 176.000 -0.127 0.000 0.982 279 Q CA 1.641 57.361 55.803 -0.138 0.000 0.838 279 Q CB -0.346 28.335 28.738 -0.094 0.000 0.899 279 Q HN 0.484 8.754 8.270 -0.000 0.000 0.423 280 E N -0.491 119.642 120.200 -0.111 0.000 2.153 280 E HA -0.118 4.233 4.350 0.001 0.000 0.194 280 E C 1.776 178.313 176.600 -0.104 0.000 0.988 280 E CA 1.119 57.464 56.400 -0.092 0.000 0.811 280 E CB 0.331 29.987 29.700 -0.074 0.000 0.746 280 E HN 0.152 8.512 8.360 -0.000 0.000 0.466 281 V N 0.628 120.447 119.914 -0.158 0.000 2.788 281 V HA -0.110 4.010 4.120 0.001 0.000 0.251 281 V C 2.413 178.487 176.094 -0.034 0.000 1.068 281 V CA 1.296 63.506 62.300 -0.151 0.000 1.090 281 V CB -0.477 31.124 31.823 -0.370 0.000 0.710 281 V HN 0.191 8.381 8.190 -0.000 0.000 0.467 282 R N 1.004 121.479 120.500 -0.041 0.000 2.055 282 R HA -0.110 4.230 4.340 0.001 0.000 0.228 282 R C 2.327 178.595 176.300 -0.053 0.000 1.143 282 R CA 1.880 57.952 56.100 -0.048 0.000 0.945 282 R CB -0.293 29.787 30.300 -0.367 0.000 0.841 282 R HN 0.537 8.807 8.270 -0.000 0.000 0.429 283 S N 0.417 116.069 115.700 -0.080 0.000 2.515 283 S HA -0.000 4.470 4.470 0.001 0.000 0.231 283 S C 1.369 175.949 174.600 -0.033 0.000 0.987 283 S CA 0.832 59.000 58.200 -0.053 0.000 0.936 283 S CB 0.130 63.297 63.200 -0.055 0.000 0.766 283 S HN 0.306 8.616 8.310 -0.000 0.000 0.528 284 K N 1.013 121.393 120.400 -0.034 0.000 2.373 284 K HA 0.150 4.470 4.320 0.001 0.000 0.200 284 K C 0.234 176.824 176.600 -0.016 0.000 1.054 284 K CA 0.391 56.663 56.287 -0.025 0.000 1.065 284 K CB 0.719 33.201 32.500 -0.030 0.000 0.886 284 K HN 0.354 8.604 8.250 -0.000 0.000 0.546 285 S N -0.478 115.218 115.700 -0.007 0.000 2.565 285 S HA 0.004 4.474 4.470 0.001 0.000 0.207 285 S C -1.064 173.554 174.600 0.031 0.000 0.769 285 S CA -0.871 57.331 58.200 0.002 0.000 0.945 285 S CB -0.621 62.572 63.200 -0.011 0.000 1.653 285 S HN 0.147 8.457 8.310 -0.000 0.000 0.509 286 D N 3.436 123.876 120.400 0.066 0.000 2.533 286 D HA 0.188 4.828 4.640 0.001 0.000 0.236 286 D C -0.462 175.861 176.300 0.037 0.000 1.137 286 D CA -0.937 53.130 54.000 0.112 0.000 0.867 286 D CB 1.079 41.944 40.800 0.107 0.000 1.170 286 D HN 0.194 8.564 8.370 -0.000 0.000 0.474 287 P HA -0.129 4.291 4.420 -0.000 0.000 0.219 287 P C 1.531 178.816 177.300 -0.025 0.000 1.150 287 P CA 0.996 64.077 63.100 -0.032 0.000 0.814 287 P CB 0.216 31.875 31.700 -0.068 0.000 0.787 288 I N -0.024 120.535 120.570 -0.019 0.000 2.233 288 I HA -0.159 4.011 4.170 0.001 0.000 0.243 288 I C 2.675 178.826 176.117 0.057 0.000 1.093 288 I CA 1.315 62.599 61.300 -0.028 0.000 1.380 288 I CB -0.586 37.355 38.000 -0.100 0.000 1.067 288 I HN -0.064 8.146 8.210 -0.000 0.000 0.413 289 M N 0.900 120.530 119.600 0.051 0.000 2.374 289 M HA -0.142 4.338 4.480 0.001 0.000 0.264 289 M C 2.000 178.324 176.300 0.041 0.000 1.067 289 M CA 1.720 57.059 55.300 0.063 0.000 1.103 289 M CB -0.403 32.222 32.600 0.042 0.000 1.402 289 M HN 0.236 8.527 8.290 -0.000 0.000 0.444 290 L N 0.560 121.793 121.223 0.016 0.000 1.988 290 L HA -0.218 4.123 4.340 0.001 0.000 0.207 290 L C 2.605 179.453 176.870 -0.035 0.000 1.071 290 L CA 0.995 55.826 54.840 -0.015 0.000 0.744 290 L CB -0.925 41.113 42.059 -0.035 0.000 0.893 290 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 291 L N 0.370 121.581 121.223 -0.020 0.000 2.042 291 L HA -0.263 4.078 4.340 0.001 0.000 0.210 291 L C 2.565 179.438 176.870 0.006 0.000 1.076 291 L CA 1.869 56.693 54.840 -0.028 0.000 0.749 291 L CB -0.677 41.416 42.059 0.056 0.000 0.893 291 L HN 0.154 8.384 8.230 -0.000 0.000 0.432 292 K N -0.828 119.623 120.400 0.086 0.000 2.063 292 K HA -0.225 4.096 4.320 0.001 0.000 0.208 292 K C 1.770 178.374 176.600 0.006 0.000 1.048 292 K CA 1.887 58.206 56.287 0.054 0.000 0.928 292 K CB -0.203 32.380 32.500 0.139 0.000 0.713 292 K HN 0.371 8.621 8.250 -0.000 0.000 0.442 293 D N 0.199 120.607 120.400 0.013 0.000 2.144 293 D HA -0.113 4.527 4.640 0.001 0.000 0.199 293 D C 2.083 178.395 176.300 0.021 0.000 0.984 293 D CA 1.027 55.036 54.000 0.014 0.000 0.834 293 D CB 0.063 40.871 40.800 0.013 0.000 0.955 293 D HN 0.246 8.616 8.370 -0.000 0.000 0.465 294 R N -0.116 120.370 120.500 -0.022 0.000 2.070 294 R HA -0.036 4.304 4.340 0.001 0.000 0.227 294 R C 2.468 178.828 176.300 0.100 0.000 1.147 294 R CA 0.954 57.049 56.100 -0.008 0.000 0.924 294 R CB -0.384 29.670 30.300 -0.410 0.000 0.827 294 R HN 0.159 8.429 8.270 -0.000 0.000 0.431 295 M N 0.582 120.191 119.600 0.016 0.000 2.270 295 M HA -0.264 4.216 4.480 0.001 0.000 0.254 295 M C 2.436 178.753 176.300 0.027 0.000 1.072 295 M CA 1.883 57.196 55.300 0.022 0.000 1.077 295 M CB -1.015 31.538 32.600 -0.079 0.000 1.288 295 M HN 0.073 8.363 8.290 -0.000 0.000 0.424 296 V N 0.763 120.682 119.914 0.008 0.000 2.237 296 V HA -0.286 3.834 4.120 0.001 0.000 0.245 296 V C 1.676 177.815 176.094 0.074 0.000 1.046 296 V CA 2.244 64.563 62.300 0.030 0.000 1.007 296 V CB -0.906 30.926 31.823 0.015 0.000 0.638 296 V HN 0.560 8.750 8.190 -0.000 0.000 0.445 297 N N 0.304 119.053 118.700 0.083 0.000 2.571 297 N HA -0.065 4.675 4.740 0.001 0.000 0.189 297 N C 1.065 176.641 175.510 0.111 0.000 1.154 297 N CA 0.813 53.917 53.050 0.091 0.000 0.907 297 N CB 0.016 38.556 38.487 0.088 0.000 0.977 297 N HN 0.564 8.944 8.380 -0.000 0.000 0.449 298 S N -0.525 115.260 115.700 0.142 0.000 2.754 298 S HA 0.165 4.636 4.470 0.001 0.000 0.247 298 S C 0.418 175.081 174.600 0.104 0.000 1.031 298 S CA -0.616 57.655 58.200 0.118 0.000 1.014 298 S CB -0.063 63.248 63.200 0.186 0.000 0.918 298 S HN 0.228 8.538 8.310 -0.000 0.000 0.519 299 N N 0.488 119.261 118.700 0.122 0.000 2.681 299 N HA -0.178 4.562 4.740 0.001 0.000 0.250 299 N C 0.499 176.136 175.510 0.212 0.000 1.133 299 N CA 1.042 54.204 53.050 0.186 0.000 0.732 299 N CB -1.751 36.828 38.487 0.153 0.000 1.107 299 N HN 0.644 9.024 8.380 -0.000 0.000 0.559 300 L N -1.937 119.342 121.223 0.092 0.000 2.156 300 L HA 0.164 4.505 4.340 0.001 0.000 0.208 300 L C 1.042 177.723 176.870 -0.316 0.000 1.095 300 L CA 1.228 56.059 54.840 -0.015 0.000 0.770 300 L CB -0.222 41.858 42.059 0.035 0.000 0.914 300 L HN 0.430 8.660 8.230 -0.000 0.000 0.439 301 A N -1.536 121.059 122.820 -0.375 0.000 2.612 301 A HA 0.520 4.841 4.320 0.001 0.000 0.293 301 A C -0.496 176.910 177.584 -0.297 0.000 1.075 301 A CA -0.441 51.130 52.037 -0.776 0.000 0.680 301 A CB 1.026 19.691 19.000 -0.558 0.000 1.279 301 A HN 0.027 8.177 8.150 -0.000 0.000 0.411 302 S N 0.097 115.685 115.700 -0.188 0.000 2.584 302 S HA 0.375 4.845 4.470 0.001 0.000 0.273 302 S C 0.949 175.535 174.600 -0.024 0.000 1.311 302 S CA 0.115 58.384 58.200 0.115 0.000 1.034 302 S CB 1.441 64.821 63.200 0.300 0.000 0.939 302 S HN 1.759 10.069 8.310 -0.000 0.000 0.513 303 V N 1.477 121.393 119.914 0.003 0.000 2.720 303 V HA -0.135 3.985 4.120 0.001 0.000 0.256 303 V C 2.002 178.080 176.094 -0.026 0.000 1.082 303 V CA 2.117 64.400 62.300 -0.028 0.000 1.101 303 V CB -0.943 30.879 31.823 -0.002 0.000 0.693 303 V HN 0.927 9.117 8.190 -0.000 0.000 0.479 304 E N -0.057 120.145 120.200 0.003 0.000 2.076 304 E HA -0.125 4.225 4.350 0.001 0.000 0.190 304 E C 2.185 178.778 176.600 -0.012 0.000 0.979 304 E CA 1.238 57.642 56.400 0.007 0.000 0.807 304 E CB -0.236 29.482 29.700 0.029 0.000 0.761 304 E HN 0.659 9.019 8.360 -0.000 0.000 0.454 305 E N 0.305 120.491 120.200 -0.023 0.000 2.086 305 E HA -0.219 4.131 4.350 0.001 0.000 0.200 305 E C 2.005 178.538 176.600 -0.111 0.000 1.012 305 E CA 1.097 57.459 56.400 -0.064 0.000 0.812 305 E CB -0.156 29.466 29.700 -0.131 0.000 0.743 305 E HN 0.241 8.601 8.360 -0.000 0.000 0.453 306 L N 0.382 121.491 121.223 -0.189 0.000 2.109 306 L HA -0.149 4.191 4.340 0.001 0.000 0.207 306 L C 2.513 179.344 176.870 -0.065 0.000 1.086 306 L CA 0.884 55.544 54.840 -0.300 0.000 0.760 306 L CB -0.287 41.435 42.059 -0.563 0.000 0.910 306 L HN 0.024 8.254 8.230 -0.000 0.000 0.437 307 K N 0.824 121.211 120.400 -0.022 0.000 2.209 307 K HA -0.189 4.131 4.320 0.001 0.000 0.204 307 K C 1.810 178.433 176.600 0.038 0.000 1.048 307 K CA 1.371 57.677 56.287 0.031 0.000 0.940 307 K CB 0.062 32.574 32.500 0.021 0.000 0.729 307 K HN 0.354 8.604 8.250 -0.000 0.000 0.451 308 E N -0.250 119.962 120.200 0.020 0.000 2.170 308 E HA -0.037 4.314 4.350 0.001 0.000 0.191 308 E C 1.891 178.516 176.600 0.041 0.000 0.981 308 E CA 0.921 57.335 56.400 0.025 0.000 0.830 308 E CB -0.029 29.678 29.700 0.013 0.000 0.775 308 E HN 0.306 8.666 8.360 -0.000 0.000 0.470 309 I N 2.071 122.675 120.570 0.057 0.000 2.286 309 I HA -0.254 3.916 4.170 0.001 0.000 0.248 309 I C 1.661 177.847 176.117 0.116 0.000 1.115 309 I CA 0.992 62.353 61.300 0.102 0.000 1.392 309 I CB -0.445 37.659 38.000 0.173 0.000 1.065 309 I HN 0.046 8.256 8.210 -0.000 0.000 0.418 310 D N 0.977 121.462 120.400 0.142 0.000 2.149 310 D HA -0.138 4.502 4.640 0.001 0.000 0.198 310 D C 2.358 178.687 176.300 0.048 0.000 0.990 310 D CA 1.206 55.262 54.000 0.094 0.000 0.839 310 D CB -0.305 40.553 40.800 0.095 0.000 0.948 310 D HN 0.220 8.590 8.370 -0.000 0.000 0.460 311 V N 1.571 121.512 119.914 0.045 0.000 2.427 311 V HA -0.208 3.912 4.120 0.001 0.000 0.248 311 V C 2.253 178.361 176.094 0.022 0.000 1.051 311 V CA 1.612 63.929 62.300 0.028 0.000 1.048 311 V CB -0.539 31.299 31.823 0.026 0.000 0.666 311 V HN 0.231 8.421 8.190 -0.000 0.000 0.456 312 E N 0.043 120.259 120.200 0.026 0.000 2.107 312 E HA -0.123 4.227 4.350 0.001 0.000 0.191 312 E C 2.285 178.893 176.600 0.012 0.000 0.982 312 E CA 1.135 57.547 56.400 0.020 0.000 0.809 312 E CB -0.274 29.441 29.700 0.025 0.000 0.756 312 E HN 0.423 8.783 8.360 -0.000 0.000 0.459 313 V N 1.533 121.455 119.914 0.013 0.000 2.307 313 V HA -0.237 3.883 4.120 0.001 0.000 0.245 313 V C 2.467 178.547 176.094 -0.024 0.000 1.045 313 V CA 1.830 64.123 62.300 -0.011 0.000 1.024 313 V CB -0.396 31.416 31.823 -0.019 0.000 0.651 313 V HN 0.114 8.304 8.190 -0.000 0.000 0.449 314 R N 1.070 121.564 120.500 -0.011 0.000 2.096 314 R HA -0.232 4.109 4.340 0.001 0.000 0.240 314 R C 2.186 178.481 176.300 -0.008 0.000 1.139 314 R CA 2.365 58.459 56.100 -0.010 0.000 0.952 314 R CB -0.698 29.603 30.300 0.001 0.000 0.854 314 R HN 0.518 8.788 8.270 -0.000 0.000 0.436 315 K N 0.385 120.784 120.400 -0.001 0.000 1.991 315 K HA -0.210 4.110 4.320 0.001 0.000 0.212 315 K C 1.955 178.552 176.600 -0.006 0.000 1.049 315 K CA 2.113 58.401 56.287 0.001 0.000 0.932 315 K CB -0.579 31.925 32.500 0.006 0.000 0.717 315 K HN 0.170 8.420 8.250 -0.000 0.000 0.441 316 E N 0.366 120.559 120.200 -0.012 0.000 2.068 316 E HA -0.216 4.134 4.350 0.001 0.000 0.207 316 E C 1.875 178.457 176.600 -0.031 0.000 1.032 316 E CA 2.115 58.502 56.400 -0.021 0.000 0.839 316 E CB -0.389 29.293 29.700 -0.029 0.000 0.758 316 E HN 0.376 8.736 8.360 -0.000 0.000 0.457 317 I N 0.759 121.302 120.570 -0.046 0.000 2.194 317 I HA -0.221 3.949 4.170 0.001 0.000 0.246 317 I C 2.317 178.424 176.117 -0.016 0.000 1.093 317 I CA 1.479 62.750 61.300 -0.049 0.000 1.355 317 I CB -1.376 36.588 38.000 -0.059 0.000 1.046 317 I HN 0.212 8.422 8.210 -0.000 0.000 0.413 318 E N 0.916 121.112 120.200 -0.007 0.000 2.150 318 E HA -0.166 4.184 4.350 0.001 0.000 0.193 318 E C 1.773 178.386 176.600 0.021 0.000 0.985 318 E CA 1.022 57.426 56.400 0.007 0.000 0.814 318 E CB -0.067 29.637 29.700 0.006 0.000 0.752 318 E HN 0.414 8.774 8.360 -0.000 0.000 0.466 319 D N -0.263 120.149 120.400 0.020 0.000 2.091 319 D HA -0.109 4.531 4.640 0.001 0.000 0.199 319 D C 1.835 178.178 176.300 0.071 0.000 0.980 319 D CA 1.412 55.436 54.000 0.039 0.000 0.831 319 D CB -0.512 40.301 40.800 0.022 0.000 0.987 319 D HN 0.240 8.610 8.370 -0.000 0.000 0.460 320 A N 1.762 124.609 122.820 0.045 0.000 1.881 320 A HA -0.243 4.077 4.320 0.001 0.000 0.219 320 A C 2.399 180.071 177.584 0.145 0.000 1.215 320 A CA 3.172 55.257 52.037 0.080 0.000 0.648 320 A CB -1.079 17.932 19.000 0.019 0.000 0.832 320 A HN 0.270 8.420 8.150 -0.000 0.000 0.455 321 A N -0.296 122.570 122.820 0.076 0.000 1.917 321 A HA -0.275 4.045 4.320 0.001 0.000 0.219 321 A C 2.187 179.813 177.584 0.070 0.000 1.182 321 A CA 2.568 54.642 52.037 0.061 0.000 0.633 321 A CB -0.700 18.317 19.000 0.028 0.000 0.819 321 A HN 0.819 8.969 8.150 -0.000 0.000 0.448 322 Q N -1.184 118.662 119.800 0.076 0.000 2.079 322 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 322 Q C 1.779 177.829 176.000 0.083 0.000 0.974 322 Q CA 2.130 57.969 55.803 0.061 0.000 0.840 322 Q CB -0.831 27.939 28.738 0.053 0.000 0.898 322 Q HN 0.584 8.854 8.270 -0.000 0.000 0.430 323 F N 1.015 120.964 119.950 -0.002 0.000 2.126 323 F HA -0.139 4.389 4.527 0.001 0.000 0.299 323 F C 2.072 177.872 175.800 0.001 0.000 1.096 323 F CA 1.907 59.907 58.000 0.001 0.000 1.255 323 F CB -0.644 38.358 39.000 0.003 0.000 0.997 323 F HN 0.216 8.516 8.300 -0.000 0.000 0.479 324 A N -0.274 122.581 122.820 0.059 0.000 1.930 324 A HA -0.155 4.165 4.320 0.001 0.000 0.217 324 A C 2.155 179.652 177.584 -0.145 0.000 1.175 324 A CA 2.077 54.083 52.037 -0.051 0.000 0.627 324 A CB -1.524 17.532 19.000 0.094 0.000 0.815 324 A HN 0.540 8.690 8.150 -0.000 0.000 0.443 325 T N -3.201 111.298 114.554 -0.092 0.000 3.067 325 T HA 0.377 4.728 4.350 0.001 0.000 0.261 325 T C 1.637 176.267 174.700 -0.116 0.000 1.110 325 T CA 1.045 63.096 62.100 -0.081 0.000 1.113 325 T CB 0.045 68.889 68.868 -0.039 0.000 0.917 325 T HN 0.437 8.677 8.240 -0.000 0.000 0.499 326 A N 1.112 123.827 122.820 -0.175 0.000 1.997 326 A HA 0.250 4.570 4.320 0.001 0.000 0.212 326 A C 0.963 178.403 177.584 -0.241 0.000 1.178 326 A CA 0.003 51.937 52.037 -0.172 0.000 0.698 326 A CB -0.364 18.554 19.000 -0.136 0.000 0.842 326 A HN 0.453 8.603 8.150 -0.000 0.000 0.458 327 D N 1.236 121.388 120.400 -0.413 0.000 2.424 327 D HA 0.266 4.906 4.640 0.001 0.000 0.244 327 D C -2.264 173.911 176.300 -0.208 0.000 1.134 327 D CA -1.410 52.342 54.000 -0.415 0.000 0.881 327 D CB 0.841 41.225 40.800 -0.692 0.000 1.191 327 D HN 0.172 8.542 8.370 -0.000 0.000 0.445 328 P HA 0.022 4.442 4.420 -0.000 0.000 0.269 328 P C -0.320 176.939 177.300 -0.068 0.000 1.209 328 P CA -0.157 62.894 63.100 -0.082 0.000 0.776 328 P CB 0.633 32.300 31.700 -0.056 0.000 0.876 329 E N 2.913 123.082 120.200 -0.052 0.000 2.438 329 E HA 0.044 4.394 4.350 0.001 0.000 0.261 329 E C -1.739 174.840 176.600 -0.033 0.000 1.103 329 E CA -1.137 55.239 56.400 -0.039 0.000 0.959 329 E CB -0.481 29.200 29.700 -0.032 0.000 0.958 329 E HN 0.442 8.802 8.360 -0.000 0.000 0.447 330 P HA 0.061 4.481 4.420 -0.000 0.000 0.268 330 P C -2.410 174.860 177.300 -0.050 0.000 1.205 330 P CA -0.974 62.104 63.100 -0.037 0.000 0.771 330 P CB -0.315 31.363 31.700 -0.037 0.000 0.858 331 P HA 0.057 4.477 4.420 -0.000 0.000 0.271 331 P C 0.958 178.220 177.300 -0.064 0.000 1.216 331 P CA -0.381 62.683 63.100 -0.060 0.000 0.776 331 P CB 0.755 32.413 31.700 -0.071 0.000 0.881 332 L N 3.393 124.604 121.223 -0.020 0.000 2.079 332 L HA -0.203 4.138 4.340 0.001 0.000 0.210 332 L C 2.215 179.132 176.870 0.078 0.000 1.081 332 L CA 1.930 56.790 54.840 0.033 0.000 0.752 332 L CB -1.090 41.016 42.059 0.078 0.000 0.896 332 L HN 0.512 8.742 8.230 -0.000 0.000 0.433 333 E N -0.750 119.463 120.200 0.022 0.000 2.333 333 E HA -0.260 4.090 4.350 0.001 0.000 0.198 333 E C 1.241 177.806 176.600 -0.059 0.000 1.007 333 E CA 1.418 57.843 56.400 0.043 0.000 0.845 333 E CB -0.470 29.219 29.700 -0.018 0.000 0.766 333 E HN 0.709 9.069 8.360 -0.000 0.000 0.507 334 E N 0.677 120.706 120.200 -0.285 0.000 2.403 334 E HA 0.088 4.439 4.350 0.001 0.000 0.188 334 E C 1.613 178.007 176.600 -0.342 0.000 1.056 334 E CA -0.302 55.685 56.400 -0.690 0.000 0.892 334 E CB 0.073 29.250 29.700 -0.872 0.000 1.049 334 E HN 0.307 8.667 8.360 -0.000 0.000 0.465 335 L N 0.016 121.131 121.223 -0.179 0.000 2.079 335 L HA -0.123 4.217 4.340 0.001 0.000 0.210 335 L C 1.977 178.697 176.870 -0.249 0.000 1.081 335 L CA 1.587 56.262 54.840 -0.275 0.000 0.752 335 L CB -0.111 41.591 42.059 -0.594 0.000 0.896 335 L HN 0.207 8.437 8.230 -0.000 0.000 0.433 336 G N -1.850 106.873 108.800 -0.129 0.000 2.920 336 G HA2 -0.112 3.848 3.960 0.001 0.000 0.208 336 G HA3 -0.112 3.848 3.960 0.001 0.000 0.208 336 G C 0.021 174.904 174.900 -0.029 0.000 1.159 336 G CA -0.339 44.708 45.100 -0.088 0.000 0.784 336 G HN 0.206 8.496 8.290 -0.000 0.000 0.535 337 Y N 0.996 121.110 120.300 -0.310 0.000 2.346 337 Y HA 0.258 4.809 4.550 0.001 0.000 0.330 337 Y C 0.989 176.603 175.900 -0.476 0.000 1.178 337 Y CA -0.941 56.854 58.100 -0.508 0.000 1.331 337 Y CB 0.385 38.374 38.460 -0.786 0.000 1.253 337 Y HN 0.399 8.679 8.280 -0.000 0.000 0.529 338 H N 1.797 120.890 119.070 0.037 0.000 2.882 338 H HA -0.174 4.383 4.556 0.000 0.000 0.314 338 H C 0.649 175.963 175.328 -0.023 0.000 1.270 338 H CA 0.722 56.781 56.048 0.019 0.000 1.165 338 H CB -1.897 27.888 29.762 0.038 0.000 1.436 338 H HN 0.726 9.006 8.280 -0.000 0.000 0.431 339 I N -1.168 119.403 120.570 0.002 0.000 2.339 339 I HA -0.073 4.098 4.170 0.001 0.000 0.245 339 I C 0.616 176.640 176.117 -0.154 0.000 1.096 339 I CA 1.099 62.303 61.300 -0.160 0.000 1.408 339 I CB 0.087 37.893 38.000 -0.323 0.000 1.092 339 I HN 0.026 8.236 8.210 -0.000 0.000 0.423 340 Y N -0.418 119.990 120.300 0.180 0.000 2.549 340 Y HA 0.481 5.032 4.550 0.001 0.000 0.339 340 Y C 0.308 176.262 175.900 0.090 0.000 1.053 340 Y CA -1.869 56.291 58.100 0.099 0.000 1.105 340 Y CB 1.362 39.849 38.460 0.046 0.000 1.258 340 Y HN -0.231 8.049 8.280 -0.000 0.000 0.478 341 S N 0.503 116.338 115.700 0.225 0.000 2.525 341 S HA 0.487 4.957 4.470 0.001 0.000 0.290 341 S C -0.102 174.552 174.600 0.089 0.000 1.152 341 S CA -0.073 58.202 58.200 0.125 0.000 1.072 341 S CB 0.261 63.505 63.200 0.074 0.000 1.027 341 S HN 0.852 9.162 8.310 -0.000 0.000 0.500 342 S N 2.258 118.001 115.700 0.072 0.000 3.614 342 S HA -0.127 4.344 4.470 0.001 0.000 0.360 342 S C -0.630 173.994 174.600 0.040 0.000 1.023 342 S CA 1.069 59.297 58.200 0.046 0.000 1.114 342 S CB -1.875 61.339 63.200 0.022 0.000 0.907 342 S HN 0.856 9.166 8.310 -0.000 0.000 0.470 343 D N 1.696 122.142 120.400 0.077 0.000 2.481 343 D HA 0.392 5.032 4.640 0.001 0.000 0.244 343 D C -2.289 174.070 176.300 0.098 0.000 1.057 343 D CA -1.484 52.551 54.000 0.058 0.000 0.848 343 D CB 1.660 42.485 40.800 0.041 0.000 1.388 343 D HN 0.071 8.441 8.370 -0.000 0.000 0.475 344 P HA 0.037 4.457 4.420 -0.000 0.000 0.266 344 P C -2.397 175.012 177.300 0.183 0.000 1.186 344 P CA -0.719 62.434 63.100 0.087 0.000 0.767 344 P CB -0.505 31.228 31.700 0.056 0.000 0.820 345 P HA 0.054 4.474 4.420 -0.000 0.000 0.266 345 P C -0.569 176.897 177.300 0.276 0.000 1.193 345 P CA 0.634 63.822 63.100 0.146 0.000 0.770 345 P CB 0.072 31.778 31.700 0.011 0.000 0.836 346 F N -1.635 118.319 119.950 0.007 0.000 2.754 346 F HA 0.633 5.160 4.527 0.000 0.000 0.320 346 F C -0.531 175.287 175.800 0.031 0.000 1.156 346 F CA -1.611 56.405 58.000 0.027 0.000 0.950 346 F CB 0.871 39.904 39.000 0.054 0.000 1.388 346 F HN 0.168 8.468 8.300 -0.000 0.000 0.485 347 E N 0.644 120.883 120.200 0.066 0.000 2.248 347 E HA 0.669 5.019 4.350 0.001 0.000 0.272 347 E C -1.419 175.160 176.600 -0.034 0.000 1.008 347 E CA -1.039 55.337 56.400 -0.041 0.000 0.856 347 E CB 2.338 32.061 29.700 0.039 0.000 1.120 347 E HN 0.485 8.845 8.360 -0.000 0.000 0.397 348 V N 2.370 122.263 119.914 -0.036 0.000 2.735 348 V HA 0.362 4.482 4.120 0.001 0.000 0.310 348 V C -0.311 175.850 176.094 0.111 0.000 1.061 348 V CA -0.797 61.517 62.300 0.024 0.000 0.913 348 V CB 2.000 33.785 31.823 -0.064 0.000 1.005 348 V HN 0.577 8.767 8.190 -0.000 0.000 0.428 349 R N 1.610 122.167 120.500 0.096 0.000 2.404 349 R HA 0.651 4.992 4.340 0.001 0.000 0.291 349 R C 0.381 176.772 176.300 0.151 0.000 1.025 349 R CA 0.183 56.344 56.100 0.101 0.000 0.991 349 R CB 1.408 31.735 30.300 0.045 0.000 1.053 349 R HN 0.926 9.196 8.270 -0.000 0.000 0.479 350 G N 0.914 109.846 108.800 0.219 0.000 3.019 350 G HA2 0.342 4.303 3.960 0.001 0.000 0.152 350 G HA3 0.342 4.303 3.960 0.001 0.000 0.152 350 G C 0.451 175.450 174.900 0.166 0.000 1.320 350 G CA 0.159 45.431 45.100 0.287 0.000 1.013 350 G HN 0.676 8.966 8.290 -0.000 0.000 0.593 351 A N -0.547 122.380 122.820 0.179 0.000 2.070 351 A HA 0.160 4.481 4.320 0.001 0.000 0.220 351 A C 0.931 178.587 177.584 0.119 0.000 1.159 351 A CA 1.956 54.066 52.037 0.123 0.000 0.656 351 A CB -0.782 18.289 19.000 0.118 0.000 0.800 351 A HN 0.935 9.085 8.150 -0.000 0.000 0.453 352 N N -3.022 115.764 118.700 0.143 0.000 2.823 352 N HA 0.148 4.889 4.740 0.001 0.000 0.251 352 N C 0.045 175.597 175.510 0.070 0.000 1.392 352 N CA -0.142 52.994 53.050 0.144 0.000 0.864 352 N CB 0.152 38.822 38.487 0.306 0.000 1.481 352 N HN 0.124 8.504 8.380 -0.000 0.000 0.508 353 Q N -0.416 119.271 119.800 -0.188 0.000 2.515 353 Q HA -0.113 4.228 4.340 0.001 0.000 0.215 353 Q C -0.385 175.348 176.000 -0.445 0.000 0.983 353 Q CA 1.051 56.609 55.803 -0.408 0.000 0.905 353 Q CB -0.164 28.157 28.738 -0.696 0.000 0.961 353 Q HN 0.742 9.012 8.270 -0.000 0.000 0.503 354 W N 0.965 122.264 121.300 -0.001 0.000 2.812 354 W HA 0.315 4.975 4.660 0.001 0.000 0.263 354 W C 0.473 176.964 176.519 -0.047 0.000 1.284 354 W CA -0.456 56.877 57.345 -0.020 0.000 1.430 354 W CB 0.365 29.813 29.460 -0.020 0.000 1.088 354 W HN 0.000 8.180 8.180 -0.000 0.000 0.623 355 I N 2.595 123.257 120.570 0.153 0.000 2.322 355 I HA 0.093 4.264 4.170 0.001 0.000 0.292 355 I C 0.103 176.197 176.117 -0.039 0.000 1.060 355 I CA 0.416 61.720 61.300 0.007 0.000 1.309 355 I CB 0.246 38.271 38.000 0.042 0.000 1.415 355 I HN -0.408 7.802 8.210 -0.000 0.000 0.492 356 K N 7.062 127.379 120.400 -0.138 0.000 2.358 356 K HA 0.520 4.840 4.320 0.001 0.000 0.260 356 K C -1.212 175.275 176.600 -0.188 0.000 0.956 356 K CA -0.613 55.625 56.287 -0.081 0.000 0.834 356 K CB 2.064 34.534 32.500 -0.050 0.000 1.102 356 K HN 0.266 8.516 8.250 -0.000 0.000 0.431 357 F N 1.931 121.858 119.950 -0.037 0.000 2.436 357 F HA 0.290 4.817 4.527 0.000 0.000 0.340 357 F C 0.696 176.446 175.800 -0.084 0.000 1.113 357 F CA -0.762 57.209 58.000 -0.048 0.000 1.022 357 F CB 1.662 40.628 39.000 -0.056 0.000 1.128 357 F HN 0.317 8.617 8.300 -0.000 0.000 0.466 358 K N 1.720 122.192 120.400 0.120 0.000 2.350 358 K HA 0.320 4.640 4.320 0.001 0.000 0.279 358 K C -0.316 176.256 176.600 -0.046 0.000 1.027 358 K CA -0.102 56.191 56.287 0.011 0.000 0.969 358 K CB 0.810 33.345 32.500 0.058 0.000 0.954 358 K HN 0.572 8.822 8.250 -0.000 0.000 0.474 359 S N 4.457 119.938 115.700 -0.364 0.000 2.669 359 S HA 0.346 4.816 4.470 0.001 0.000 0.315 359 S C -0.863 173.434 174.600 -0.504 0.000 1.106 359 S CA -0.835 57.033 58.200 -0.553 0.000 1.107 359 S CB 0.320 62.861 63.200 -1.098 0.000 0.990 359 S HN 0.457 8.767 8.310 -0.000 0.000 0.471 360 V N 2.970 122.520 119.914 -0.608 0.000 2.630 360 V HA 0.725 4.845 4.120 0.001 0.000 0.305 360 V C 0.708 176.651 176.094 -0.252 0.000 1.046 360 V CA -0.709 61.336 62.300 -0.425 0.000 0.934 360 V CB 1.194 32.656 31.823 -0.603 0.000 1.003 360 V HN 0.717 8.907 8.190 -0.000 0.000 0.451 361 S N 0.000 115.690 115.700 -0.017 0.000 2.498 361 S HA 0.000 4.470 4.470 0.001 0.000 0.327 361 S CA 0.000 58.271 58.200 0.119 0.000 1.107 361 S CB 0.000 63.272 63.200 0.121 0.000 0.593 361 S HN 0.000 8.310 8.310 -0.000 0.000 0.517