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 2pod_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLKITEIETL RPEEFPNLLW VLVHTDEGIT GLGETFYGAC SAEAYIHEWA DATA SEQUENCE ANRLIGEDPL QIDRHAKRLS GYLGFRSAGA EXRGNSALDI ALWDIFGKAT DATA SEQUENCE GQPIYQLLGG KCRDTIRTYN TCAGPHYXXX XXXXXXXXXX XXXXXXXRYD DATA SEQUENCE DLNAFLHRAD ELALDLLDSG ITAXKIWPFD PYAEASDGYY ISKSDLKRAL DATA SEQUENCE EPFEKIRRAV GDKXDVXVEF HSLWNLPPAL QIAEALREYE TFWHEDPIRX DATA SEQUENCE DSLSSLKRYA ERSLAPVCAS ETLATRWGFR DLLETNAAGI VXLDISWCGG DATA SEQUENCE LSEARKIASX AEAWHLPVAP HDCTGPVVLT ASTHLSLNAP NALVQESVRA DATA SEQUENCE FYDGWYRDLV TALPTVKDGH ITVPDGPGLG LELXPDIRER LTIAVRNTSD 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 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 0 S C 0.000 174.594 174.600 -0.011 0.000 1.055 0 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 0 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 1 L N 2.822 124.037 121.223 -0.013 0.000 2.397 1 L HA 0.481 4.823 4.340 0.003 0.000 0.271 1 L C -0.241 176.621 176.870 -0.013 0.000 1.148 1 L CA 0.231 55.065 54.840 -0.011 0.000 0.825 1 L CB 0.750 42.802 42.059 -0.012 0.000 1.117 1 L HN 0.307 8.537 8.230 -0.000 0.000 0.456 2 K N 3.684 124.078 120.400 -0.010 0.000 2.422 2 K HA 0.526 4.848 4.320 0.003 0.000 0.251 2 K C -0.998 175.593 176.600 -0.014 0.000 0.933 2 K CA -0.795 55.483 56.287 -0.015 0.000 0.798 2 K CB 2.616 35.107 32.500 -0.014 0.000 1.238 2 K HN 0.414 8.664 8.250 -0.000 0.000 0.428 3 I N 2.461 123.013 120.570 -0.029 0.000 2.471 3 I HA -0.030 4.142 4.170 0.003 0.000 0.286 3 I C 1.486 177.595 176.117 -0.014 0.000 1.079 3 I CA 0.262 61.545 61.300 -0.028 0.000 1.398 3 I CB 1.024 38.982 38.000 -0.071 0.000 1.403 3 I HN 0.823 9.033 8.210 -0.000 0.000 0.530 4 T N 1.112 115.678 114.554 0.020 0.000 3.018 4 T HA 0.222 4.574 4.350 0.003 0.000 0.246 4 T C 0.443 175.168 174.700 0.042 0.000 1.026 4 T CA -0.078 62.037 62.100 0.025 0.000 1.081 4 T CB 0.442 69.328 68.868 0.030 0.000 0.970 4 T HN 0.616 8.856 8.240 -0.000 0.000 0.475 5 E N -0.343 119.908 120.200 0.086 0.000 2.381 5 E HA 0.558 4.909 4.350 0.003 0.000 0.286 5 E C -2.063 174.629 176.600 0.154 0.000 0.960 5 E CA -0.673 55.810 56.400 0.138 0.000 0.793 5 E CB 2.130 31.937 29.700 0.179 0.000 1.225 5 E HN 0.289 8.649 8.360 -0.000 0.000 0.420 6 I N 2.939 123.583 120.570 0.123 0.000 2.436 6 I HA 0.328 4.499 4.170 0.003 0.000 0.289 6 I C -0.556 175.660 176.117 0.166 0.000 1.010 6 I CA -0.465 60.881 61.300 0.077 0.000 1.098 6 I CB 1.896 39.894 38.000 -0.004 0.000 1.266 6 I HN 0.368 8.578 8.210 -0.000 0.000 0.434 7 E N 4.309 124.594 120.200 0.142 0.000 2.187 7 E HA 0.409 4.760 4.350 0.003 0.000 0.268 7 E C -0.861 175.855 176.600 0.193 0.000 0.896 7 E CA -0.638 55.887 56.400 0.209 0.000 0.766 7 E CB 2.286 32.123 29.700 0.228 0.000 1.142 7 E HN 0.606 8.966 8.360 -0.000 0.000 0.408 8 T N 0.721 115.438 114.554 0.272 0.000 2.859 8 T HA 0.609 4.961 4.350 0.003 0.000 0.281 8 T C -0.126 174.717 174.700 0.237 0.000 1.005 8 T CA -0.848 61.401 62.100 0.248 0.000 1.025 8 T CB 0.691 69.730 68.868 0.285 0.000 0.977 8 T HN 0.234 8.474 8.240 -0.000 0.000 0.458 9 L N 2.870 124.247 121.223 0.258 0.000 2.376 9 L HA 0.533 4.874 4.340 0.003 0.000 0.275 9 L C 0.194 177.197 176.870 0.222 0.000 0.987 9 L CA -0.855 54.154 54.840 0.283 0.000 0.828 9 L CB 1.937 44.255 42.059 0.433 0.000 1.249 9 L HN 0.619 8.849 8.230 -0.000 0.000 0.409 10 R N 4.155 124.747 120.500 0.153 0.000 2.310 10 R HA 0.356 4.698 4.340 0.003 0.000 0.316 10 R C -2.562 173.786 176.300 0.080 0.000 1.004 10 R CA -1.688 54.455 56.100 0.072 0.000 0.900 10 R CB 1.797 32.127 30.300 0.051 0.000 1.152 10 R HN 0.286 8.556 8.270 -0.000 0.000 0.513 11 P HA 0.076 4.496 4.420 -0.000 0.000 0.282 11 P C -0.110 177.203 177.300 0.022 0.000 1.262 11 P CA -0.287 62.882 63.100 0.115 0.000 0.773 11 P CB 0.895 32.749 31.700 0.256 0.000 0.879 12 E N 2.665 122.860 120.200 -0.008 0.000 2.418 12 E HA -0.156 4.196 4.350 0.003 0.000 0.197 12 E C 0.933 177.456 176.600 -0.128 0.000 1.026 12 E CA 0.540 56.910 56.400 -0.051 0.000 0.862 12 E CB -0.231 29.450 29.700 -0.032 0.000 0.799 12 E HN 0.468 8.828 8.360 -0.000 0.000 0.518 13 E N 1.179 121.233 120.200 -0.244 0.000 2.152 13 E HA -0.127 4.225 4.350 0.003 0.000 0.192 13 E C 0.088 176.242 176.600 -0.744 0.000 0.983 13 E CA 0.638 56.719 56.400 -0.532 0.000 0.818 13 E CB -0.230 29.017 29.700 -0.756 0.000 0.758 13 E HN 0.366 8.726 8.360 -0.000 0.000 0.467 14 F N 1.913 121.829 119.950 -0.056 0.000 2.449 14 F HA 0.318 4.847 4.527 0.003 0.000 0.344 14 F C -1.837 173.844 175.800 -0.200 0.000 1.180 14 F CA -2.739 55.156 58.000 -0.175 0.000 1.209 14 F CB 1.539 40.337 39.000 -0.337 0.000 1.440 14 F HN -0.164 8.136 8.300 -0.000 0.000 0.526 15 P HA -0.052 4.368 4.420 -0.000 0.000 0.233 15 P C 0.425 177.632 177.300 -0.156 0.000 1.167 15 P CA 1.096 64.153 63.100 -0.071 0.000 0.770 15 P CB 0.254 31.934 31.700 -0.034 0.000 0.837 16 N N -0.802 117.718 118.700 -0.301 0.000 2.457 16 N HA -0.006 4.736 4.740 0.003 0.000 0.180 16 N C 0.470 175.528 175.510 -0.754 0.000 1.050 16 N CA -0.210 52.482 53.050 -0.597 0.000 0.906 16 N CB -0.143 37.725 38.487 -1.032 0.000 0.968 16 N HN 0.085 8.465 8.380 -0.000 0.000 0.445 17 L N 1.410 122.322 121.223 -0.517 0.000 2.326 17 L HA 0.438 4.780 4.340 0.003 0.000 0.278 17 L C -0.969 175.700 176.870 -0.335 0.000 1.092 17 L CA -0.420 54.190 54.840 -0.383 0.000 0.810 17 L CB 1.006 42.865 42.059 -0.333 0.000 1.153 17 L HN -0.060 8.170 8.230 -0.000 0.000 0.439 18 L N 5.199 126.255 121.223 -0.278 0.000 2.406 18 L HA 0.551 4.893 4.340 0.003 0.000 0.272 18 L C -1.584 175.191 176.870 -0.157 0.000 0.980 18 L CA -0.236 54.504 54.840 -0.166 0.000 0.831 18 L CB 1.402 43.455 42.059 -0.010 0.000 1.253 18 L HN 0.497 8.727 8.230 -0.000 0.000 0.406 19 W N 5.051 126.414 121.300 0.104 0.000 2.449 19 W HA 0.702 5.364 4.660 0.003 0.000 0.331 19 W C -0.768 175.795 176.519 0.072 0.000 1.119 19 W CA -0.743 56.652 57.345 0.083 0.000 1.240 19 W CB 1.785 31.291 29.460 0.076 0.000 1.251 19 W HN 0.228 8.408 8.180 -0.000 0.000 0.576 20 V N 4.186 124.280 119.914 0.300 0.000 2.656 20 V HA 0.487 4.609 4.120 0.003 0.000 0.307 20 V C -0.398 175.747 176.094 0.085 0.000 1.051 20 V CA -0.972 61.424 62.300 0.160 0.000 0.893 20 V CB 2.023 33.910 31.823 0.108 0.000 0.999 20 V HN 0.299 8.489 8.190 -0.000 0.000 0.426 21 L N 4.291 125.519 121.223 0.007 0.000 2.356 21 L HA 0.669 5.011 4.340 0.003 0.000 0.277 21 L C -0.872 175.823 176.870 -0.291 0.000 0.996 21 L CA -0.756 53.991 54.840 -0.155 0.000 0.822 21 L CB 2.184 44.132 42.059 -0.186 0.000 1.256 21 L HN 0.388 8.618 8.230 -0.000 0.000 0.413 22 V N 2.807 122.542 119.914 -0.299 0.000 2.357 22 V HA 0.378 4.500 4.120 0.003 0.000 0.284 22 V C -0.297 175.630 176.094 -0.279 0.000 1.018 22 V CA -0.681 61.479 62.300 -0.233 0.000 0.841 22 V CB 1.066 32.827 31.823 -0.103 0.000 0.991 22 V HN 0.560 8.750 8.190 -0.000 0.000 0.437 23 H N 2.758 121.829 119.070 0.003 0.000 2.463 23 H HA 0.605 5.162 4.556 0.003 0.000 0.332 23 H C 0.275 175.598 175.328 -0.009 0.000 1.127 23 H CA -0.263 55.785 56.048 0.000 0.000 1.238 23 H CB 2.174 31.939 29.762 0.004 0.000 1.478 23 H HN 0.721 9.001 8.280 -0.000 0.000 0.499 24 T N -1.659 112.965 114.554 0.117 0.000 2.938 24 T HA 0.093 4.445 4.350 0.003 0.000 0.285 24 T C 0.940 175.668 174.700 0.045 0.000 1.028 24 T CA -0.831 61.303 62.100 0.056 0.000 1.005 24 T CB 1.252 70.136 68.868 0.028 0.000 1.157 24 T HN 0.465 8.705 8.240 -0.000 0.000 0.550 25 D N -0.143 120.270 120.400 0.022 0.000 2.219 25 D HA -0.117 4.525 4.640 0.003 0.000 0.205 25 D C 1.146 177.452 176.300 0.010 0.000 0.970 25 D CA 1.012 55.019 54.000 0.011 0.000 0.851 25 D CB -0.366 40.436 40.800 0.003 0.000 0.943 25 D HN 0.795 9.165 8.370 -0.000 0.000 0.488 26 E N -0.474 119.735 120.200 0.014 0.000 2.437 26 E HA 0.299 4.651 4.350 0.003 0.000 0.189 26 E C 0.839 177.450 176.600 0.018 0.000 1.054 26 E CA 0.169 56.577 56.400 0.013 0.000 0.874 26 E CB 0.123 29.830 29.700 0.011 0.000 1.011 26 E HN 0.430 8.790 8.360 -0.000 0.000 0.474 27 G N 2.317 111.133 108.800 0.027 0.000 2.147 27 G HA2 -0.295 3.667 3.960 0.003 0.000 0.244 27 G HA3 -0.295 3.667 3.960 0.003 0.000 0.244 27 G C 0.092 175.021 174.900 0.049 0.000 1.005 27 G CA 0.433 45.553 45.100 0.035 0.000 0.713 27 G HN 0.360 8.650 8.290 -0.000 0.000 0.515 28 I N 1.138 121.738 120.570 0.050 0.000 2.321 28 I HA 0.788 4.960 4.170 0.003 0.000 0.291 28 I C 0.229 176.378 176.117 0.054 0.000 0.998 28 I CA 0.049 61.376 61.300 0.045 0.000 1.227 28 I CB 1.820 39.838 38.000 0.030 0.000 1.368 28 I HN 0.350 8.560 8.210 -0.000 0.000 0.466 29 T N 3.706 118.288 114.554 0.047 0.000 2.829 29 T HA 0.837 5.189 4.350 0.003 0.000 0.280 29 T C -0.077 174.603 174.700 -0.033 0.000 0.999 29 T CA -0.408 61.694 62.100 0.003 0.000 0.983 29 T CB 1.144 70.040 68.868 0.048 0.000 0.968 29 T HN 0.945 9.185 8.240 -0.000 0.000 0.446 30 G N 2.780 111.539 108.800 -0.068 0.000 2.400 30 G HA2 0.639 4.601 3.960 0.003 0.000 0.333 30 G HA3 0.639 4.601 3.960 0.003 0.000 0.333 30 G C -1.248 173.626 174.900 -0.044 0.000 1.143 30 G CA -0.878 44.201 45.100 -0.034 0.000 0.914 30 G HN 0.883 9.173 8.290 -0.000 0.000 0.480 31 L N 1.914 123.130 121.223 -0.012 0.000 2.287 31 L HA 0.660 5.002 4.340 0.003 0.000 0.287 31 L C 0.632 177.539 176.870 0.061 0.000 1.022 31 L CA -0.573 54.267 54.840 -0.000 0.000 0.814 31 L CB 1.367 43.403 42.059 -0.039 0.000 1.217 31 L HN 0.670 8.900 8.230 -0.000 0.000 0.420 32 G N 2.970 111.833 108.800 0.105 0.000 2.537 32 G HA2 0.587 4.549 3.960 0.003 0.000 0.323 32 G HA3 0.587 4.549 3.960 0.003 0.000 0.323 32 G C -1.591 173.457 174.900 0.246 0.000 1.207 32 G CA -0.293 44.899 45.100 0.153 0.000 0.976 32 G HN 0.581 8.871 8.290 -0.000 0.000 0.487 33 E N -1.342 118.989 120.200 0.218 0.000 2.372 33 E HA 0.567 4.918 4.350 0.003 0.000 0.279 33 E C -1.509 175.186 176.600 0.158 0.000 0.946 33 E CA -0.592 55.943 56.400 0.225 0.000 0.769 33 E CB 2.636 32.486 29.700 0.249 0.000 1.230 33 E HN 0.533 8.893 8.360 -0.000 0.000 0.442 34 T N 1.719 116.360 114.554 0.145 0.000 2.816 34 T HA 0.630 4.982 4.350 0.003 0.000 0.299 34 T C -1.985 172.867 174.700 0.253 0.000 1.230 34 T CA -0.443 61.782 62.100 0.208 0.000 1.007 34 T CB 0.861 69.882 68.868 0.256 0.000 1.289 34 T HN 0.336 8.576 8.240 -0.000 0.000 0.508 35 F N 2.033 122.106 119.950 0.205 0.000 2.588 35 F HA 0.731 5.260 4.527 0.003 0.000 0.314 35 F C -1.366 174.570 175.800 0.227 0.000 1.069 35 F CA -0.324 57.743 58.000 0.112 0.000 0.931 35 F CB 1.100 40.090 39.000 -0.016 0.000 1.260 35 F HN 0.776 9.076 8.300 -0.000 0.000 0.465 36 Y N 1.124 121.333 120.300 -0.152 0.000 2.518 36 Y HA 0.062 4.613 4.550 0.003 0.000 0.022 36 Y C 0.872 176.714 175.900 -0.096 0.000 1.713 36 Y CA 0.341 58.365 58.100 -0.127 0.000 1.411 36 Y CB -1.270 37.170 38.460 -0.033 0.000 2.057 36 Y HN 1.231 9.511 8.280 -0.000 0.000 0.256 37 G N 0.092 108.935 108.800 0.072 0.000 2.356 37 G HA2 0.041 4.003 3.960 0.003 0.000 0.296 37 G HA3 0.041 4.003 3.960 0.003 0.000 0.296 37 G C 1.029 175.941 174.900 0.020 0.000 1.022 37 G CA 1.035 46.146 45.100 0.018 0.000 0.961 37 G HN 1.956 10.246 8.290 -0.000 0.000 0.510 38 A N -1.049 121.764 122.820 -0.011 0.000 1.908 38 A HA -0.083 4.239 4.320 0.003 0.000 0.218 38 A C 2.717 180.323 177.584 0.035 0.000 1.181 38 A CA 2.392 54.427 52.037 -0.005 0.000 0.627 38 A CB -0.776 18.188 19.000 -0.060 0.000 0.818 38 A HN 1.098 9.248 8.150 -0.000 0.000 0.445 39 C N -0.031 119.286 119.300 0.029 0.000 2.422 39 C HA -0.059 4.403 4.460 0.003 0.000 0.279 39 C C 3.390 178.423 174.990 0.071 0.000 1.305 39 C CA 1.340 60.388 59.018 0.050 0.000 1.757 39 C CB -1.224 26.536 27.740 0.032 0.000 1.962 39 C HN 0.809 9.039 8.230 -0.000 0.000 0.499 40 S N 1.522 117.257 115.700 0.059 0.000 2.395 40 S HA 0.045 4.516 4.470 0.003 0.000 0.225 40 S C 2.019 176.690 174.600 0.118 0.000 1.027 40 S CA 1.087 59.329 58.200 0.071 0.000 0.965 40 S CB -0.549 62.669 63.200 0.030 0.000 0.812 40 S HN 0.565 8.875 8.310 -0.000 0.000 0.482 41 A N 2.127 125.015 122.820 0.113 0.000 1.902 41 A HA -0.115 4.207 4.320 0.003 0.000 0.217 41 A C 2.215 179.920 177.584 0.203 0.000 1.181 41 A CA 1.666 53.805 52.037 0.170 0.000 0.623 41 A CB -0.934 18.151 19.000 0.142 0.000 0.818 41 A HN 0.730 8.880 8.150 -0.000 0.000 0.443 42 E N -0.004 120.286 120.200 0.149 0.000 2.051 42 E HA -0.146 4.206 4.350 0.003 0.000 0.192 42 E C 2.101 178.816 176.600 0.192 0.000 0.991 42 E CA 1.197 57.688 56.400 0.151 0.000 0.799 42 E CB -0.303 29.502 29.700 0.174 0.000 0.748 42 E HN 0.506 8.866 8.360 -0.000 0.000 0.449 43 A N 0.372 123.307 122.820 0.192 0.000 1.933 43 A HA -0.202 4.120 4.320 0.003 0.000 0.218 43 A C 2.074 179.772 177.584 0.191 0.000 1.175 43 A CA 1.506 53.658 52.037 0.190 0.000 0.628 43 A CB -0.993 18.093 19.000 0.143 0.000 0.814 43 A HN 0.651 8.801 8.150 -0.000 0.000 0.444 44 Y N 0.402 120.760 120.300 0.096 0.000 2.145 44 Y HA -0.209 4.342 4.550 0.003 0.000 0.286 44 Y C 1.979 177.954 175.900 0.125 0.000 1.145 44 Y CA 1.899 60.063 58.100 0.108 0.000 1.148 44 Y CB -0.266 38.244 38.460 0.083 0.000 0.981 44 Y HN 0.254 8.534 8.280 -0.000 0.000 0.507 45 I N -0.008 120.445 120.570 -0.195 0.000 2.163 45 I HA -0.390 3.781 4.170 0.003 0.000 0.243 45 I C 2.270 178.177 176.117 -0.351 0.000 1.085 45 I CA 1.718 62.797 61.300 -0.369 0.000 1.347 45 I CB -0.560 37.263 38.000 -0.294 0.000 1.044 45 I HN 0.402 8.612 8.210 -0.000 0.000 0.408 46 H N -0.334 118.708 119.070 -0.047 0.000 2.470 46 H HA -0.072 4.486 4.556 0.003 0.000 0.289 46 H C 1.989 177.303 175.328 -0.022 0.000 1.033 46 H CA 1.008 57.041 56.048 -0.026 0.000 1.331 46 H CB -0.034 29.734 29.762 0.010 0.000 1.414 46 H HN 0.474 8.754 8.280 -0.000 0.000 0.545 47 E N -0.613 119.642 120.200 0.091 0.000 2.107 47 E HA -0.145 4.207 4.350 0.003 0.000 0.191 47 E C 1.580 178.261 176.600 0.135 0.000 0.982 47 E CA 0.862 57.329 56.400 0.112 0.000 0.809 47 E CB 0.257 30.044 29.700 0.144 0.000 0.756 47 E HN 0.389 8.749 8.360 -0.000 0.000 0.459 48 W N -1.371 119.816 121.300 -0.188 0.000 4.359 48 W HA 0.369 5.030 4.660 0.002 0.000 0.200 48 W C 1.765 178.150 176.519 -0.223 0.000 1.068 48 W CA 0.769 58.013 57.345 -0.168 0.000 1.787 48 W CB -0.085 29.315 29.460 -0.099 0.000 0.717 48 W HN 0.022 8.202 8.180 -0.000 0.000 0.930 49 A N 0.670 123.325 122.820 -0.275 0.000 1.970 49 A HA 0.162 4.484 4.320 0.003 0.000 0.216 49 A C 1.929 179.328 177.584 -0.308 0.000 1.170 49 A CA 1.955 53.800 52.037 -0.320 0.000 0.645 49 A CB -1.194 17.620 19.000 -0.309 0.000 0.816 49 A HN 0.321 8.471 8.150 -0.000 0.000 0.447 50 A N 0.637 123.306 122.820 -0.252 0.000 1.930 50 A HA -0.164 4.157 4.320 0.003 0.000 0.217 50 A C 1.819 179.293 177.584 -0.184 0.000 1.175 50 A CA 1.578 53.507 52.037 -0.179 0.000 0.627 50 A CB -0.549 18.390 19.000 -0.101 0.000 0.815 50 A HN 0.539 8.689 8.150 -0.000 0.000 0.443 51 N N -0.195 118.375 118.700 -0.216 0.000 2.381 51 N HA -0.078 4.664 4.740 0.003 0.000 0.182 51 N C 1.542 176.891 175.510 -0.268 0.000 1.025 51 N CA 0.701 53.625 53.050 -0.211 0.000 0.888 51 N CB -0.307 38.062 38.487 -0.197 0.000 0.965 51 N HN 0.486 8.866 8.380 -0.000 0.000 0.438 52 R N -0.126 120.146 120.500 -0.380 0.000 2.236 52 R HA 0.080 4.422 4.340 0.003 0.000 0.208 52 R C 1.034 177.158 176.300 -0.293 0.000 1.036 52 R CA 0.380 56.256 56.100 -0.374 0.000 1.001 52 R CB 0.166 30.140 30.300 -0.543 0.000 0.896 52 R HN 0.114 8.384 8.270 -0.000 0.000 0.464 53 L N -0.102 120.951 121.223 -0.282 0.000 2.653 53 L HA 0.273 4.614 4.340 0.003 0.000 0.230 53 L C 0.497 177.231 176.870 -0.227 0.000 1.055 53 L CA 0.360 55.010 54.840 -0.318 0.000 0.880 53 L CB 0.376 42.268 42.059 -0.278 0.000 1.195 53 L HN -0.091 8.139 8.230 -0.000 0.000 0.492 54 I N 0.346 120.820 120.570 -0.160 0.000 2.587 54 I HA 0.276 4.448 4.170 0.003 0.000 0.284 54 I C 1.366 177.429 176.117 -0.090 0.000 1.134 54 I CA 1.163 62.401 61.300 -0.103 0.000 1.410 54 I CB 0.308 38.265 38.000 -0.071 0.000 1.392 54 I HN 0.457 8.667 8.210 -0.000 0.000 0.545 55 G N 4.062 112.820 108.800 -0.069 0.000 2.213 55 G HA2 -0.175 3.787 3.960 0.003 0.000 0.236 55 G HA3 -0.175 3.787 3.960 0.003 0.000 0.236 55 G C 0.181 175.053 174.900 -0.048 0.000 0.991 55 G CA -0.545 44.524 45.100 -0.052 0.000 0.629 55 G HN 0.526 8.816 8.290 -0.000 0.000 0.517 56 E N 0.917 121.074 120.200 -0.072 0.000 2.283 56 E HA 0.325 4.677 4.350 0.003 0.000 0.267 56 E C -0.673 175.927 176.600 -0.000 0.000 1.045 56 E CA -0.736 55.644 56.400 -0.034 0.000 0.884 56 E CB 0.983 30.623 29.700 -0.101 0.000 1.106 56 E HN 0.184 8.544 8.360 -0.000 0.000 0.408 57 D N 2.842 123.276 120.400 0.056 0.000 2.412 57 D HA -0.006 4.636 4.640 0.003 0.000 0.257 57 D C -1.452 174.912 176.300 0.107 0.000 1.217 57 D CA -1.477 52.547 54.000 0.039 0.000 0.897 57 D CB 0.838 41.634 40.800 -0.007 0.000 1.132 57 D HN 0.072 8.442 8.370 -0.000 0.000 0.493 58 P HA -0.093 4.327 4.420 -0.000 0.000 0.226 58 P C 1.397 178.629 177.300 -0.113 0.000 1.153 58 P CA 0.192 63.284 63.100 -0.013 0.000 0.777 58 P CB 0.512 32.183 31.700 -0.049 0.000 0.794 59 L N -0.427 120.677 121.223 -0.199 0.000 2.478 59 L HA 0.035 4.377 4.340 0.003 0.000 0.223 59 L C 1.642 178.221 176.870 -0.485 0.000 1.140 59 L CA 1.248 55.823 54.840 -0.442 0.000 0.842 59 L CB -1.066 40.750 42.059 -0.405 0.000 0.953 59 L HN -0.053 8.177 8.230 -0.000 0.000 0.452 60 Q N -0.236 119.359 119.800 -0.343 0.000 3.254 60 Q HA 0.105 4.446 4.340 0.003 0.000 0.315 60 Q C 1.335 177.033 176.000 -0.504 0.000 1.405 60 Q CA -0.053 55.479 55.803 -0.452 0.000 0.966 60 Q CB 0.102 28.529 28.738 -0.519 0.000 1.706 60 Q HN 0.499 8.769 8.270 -0.000 0.000 0.525 61 I N -0.116 120.203 120.570 -0.419 0.000 2.233 61 I HA -0.248 3.924 4.170 0.003 0.000 0.243 61 I C 1.416 177.439 176.117 -0.156 0.000 1.093 61 I CA 0.841 61.942 61.300 -0.333 0.000 1.380 61 I CB 0.009 37.609 38.000 -0.667 0.000 1.067 61 I HN 0.363 8.573 8.210 -0.000 0.000 0.413 62 D N 0.664 120.985 120.400 -0.131 0.000 2.123 62 D HA -0.213 4.429 4.640 0.003 0.000 0.196 62 D C 2.194 178.468 176.300 -0.044 0.000 0.992 62 D CA 1.157 55.144 54.000 -0.022 0.000 0.833 62 D CB -0.264 40.534 40.800 -0.003 0.000 0.954 62 D HN 0.231 8.601 8.370 -0.000 0.000 0.455 63 R N -0.282 120.117 120.500 -0.169 0.000 2.075 63 R HA -0.139 4.202 4.340 0.003 0.000 0.232 63 R C 2.131 178.363 176.300 -0.113 0.000 1.126 63 R CA 1.158 57.147 56.100 -0.185 0.000 0.963 63 R CB -0.015 30.093 30.300 -0.321 0.000 0.858 63 R HN 0.282 8.552 8.270 -0.000 0.000 0.435 64 H N -0.134 118.927 119.070 -0.015 0.000 2.363 64 H HA 0.066 4.623 4.556 0.003 0.000 0.301 64 H C 1.995 177.360 175.328 0.062 0.000 1.074 64 H CA 1.253 57.303 56.048 0.002 0.000 1.354 64 H CB -0.483 29.259 29.762 -0.032 0.000 1.397 64 H HN 0.357 8.637 8.280 -0.000 0.000 0.516 65 A N 1.421 124.355 122.820 0.190 0.000 1.917 65 A HA -0.267 4.055 4.320 0.003 0.000 0.219 65 A C 2.394 180.093 177.584 0.192 0.000 1.182 65 A CA 2.418 54.574 52.037 0.198 0.000 0.633 65 A CB -0.342 18.777 19.000 0.198 0.000 0.819 65 A HN 0.303 8.453 8.150 -0.000 0.000 0.448 66 K N -0.165 120.327 120.400 0.154 0.000 2.057 66 K HA -0.040 4.281 4.320 0.003 0.000 0.206 66 K C 2.108 178.795 176.600 0.144 0.000 1.050 66 K CA 1.546 57.915 56.287 0.136 0.000 0.935 66 K CB -0.303 32.260 32.500 0.105 0.000 0.715 66 K HN 0.452 8.702 8.250 -0.000 0.000 0.439 67 R N -0.151 120.441 120.500 0.154 0.000 2.096 67 R HA 0.012 4.353 4.340 0.003 0.000 0.235 67 R C 2.021 178.482 176.300 0.268 0.000 1.127 67 R CA 1.424 57.627 56.100 0.170 0.000 0.968 67 R CB -0.255 30.131 30.300 0.143 0.000 0.861 67 R HN 0.210 8.480 8.270 -0.000 0.000 0.440 68 L N 0.195 121.596 121.223 0.297 0.000 2.554 68 L HA 0.052 4.394 4.340 0.003 0.000 0.226 68 L C 0.734 177.908 176.870 0.506 0.000 1.137 68 L CA 0.008 55.137 54.840 0.481 0.000 0.863 68 L CB 0.126 42.410 42.059 0.377 0.000 0.985 68 L HN -0.023 8.207 8.230 -0.000 0.000 0.451 69 S N 0.761 116.650 115.700 0.314 0.000 2.503 69 S HA 0.303 4.775 4.470 0.003 0.000 0.317 69 S C 0.650 175.350 174.600 0.168 0.000 1.162 69 S CA -0.423 57.891 58.200 0.189 0.000 1.124 69 S CB -0.004 63.241 63.200 0.075 0.000 1.207 69 S HN 0.348 8.658 8.310 -0.000 0.000 0.538 70 G N 2.296 111.147 108.800 0.085 0.000 2.525 70 G HA2 0.270 4.232 3.960 0.003 0.000 0.287 70 G HA3 0.270 4.232 3.960 0.003 0.000 0.287 70 G C 0.299 175.241 174.900 0.070 0.000 1.350 70 G CA -0.420 44.634 45.100 -0.077 0.000 1.039 70 G HN 0.689 8.979 8.290 -0.000 0.000 0.513 71 Y N -1.025 119.223 120.300 -0.087 0.000 2.352 71 Y HA 0.188 4.740 4.550 0.002 0.000 0.292 71 Y C 0.469 176.475 175.900 0.177 0.000 1.136 71 Y CA 0.828 58.948 58.100 0.033 0.000 1.227 71 Y CB 0.093 38.545 38.460 -0.014 0.000 0.991 71 Y HN 0.102 8.382 8.280 -0.000 0.000 0.545 72 L N -1.500 119.723 121.223 -0.000 0.000 2.371 72 L HA 0.554 4.896 4.340 0.003 0.000 0.262 72 L C 0.823 177.542 176.870 -0.252 0.000 1.006 72 L CA -0.196 54.521 54.840 -0.204 0.000 0.818 72 L CB 1.844 43.799 42.059 -0.175 0.000 1.354 72 L HN 0.167 8.397 8.230 -0.000 0.000 0.415 73 G N 1.346 109.871 108.800 -0.458 0.000 2.143 73 G HA2 -0.347 3.615 3.960 0.003 0.000 0.248 73 G HA3 -0.347 3.615 3.960 0.003 0.000 0.248 73 G C 0.583 175.305 174.900 -0.297 0.000 0.991 73 G CA 0.775 45.655 45.100 -0.367 0.000 0.689 73 G HN 0.729 9.019 8.290 -0.000 0.000 0.522 74 F N -0.946 118.907 119.950 -0.161 0.000 2.748 74 F HA 0.423 4.952 4.527 0.003 0.000 0.299 74 F C 1.968 177.711 175.800 -0.094 0.000 1.154 74 F CA 0.651 58.571 58.000 -0.133 0.000 1.446 74 F CB -0.000 38.889 39.000 -0.185 0.000 1.112 74 F HN 0.170 8.470 8.300 -0.000 0.000 0.584 75 R N -0.316 120.013 120.500 -0.286 0.000 2.362 75 R HA 0.335 4.677 4.340 0.003 0.000 0.227 75 R C 0.023 176.263 176.300 -0.101 0.000 0.905 75 R CA 0.111 56.129 56.100 -0.137 0.000 1.067 75 R CB 0.377 30.515 30.300 -0.270 0.000 1.078 75 R HN 0.294 8.564 8.270 -0.000 0.000 0.516 76 S N -2.203 113.432 115.700 -0.109 0.000 2.929 76 S HA 0.478 4.950 4.470 0.003 0.000 0.311 76 S C -1.292 173.286 174.600 -0.037 0.000 1.213 76 S CA -0.255 57.906 58.200 -0.065 0.000 0.908 76 S CB 1.294 64.431 63.200 -0.105 0.000 1.287 76 S HN 0.096 8.406 8.310 -0.000 0.000 0.594 77 A N 0.970 123.769 122.820 -0.036 0.000 2.929 77 A HA 0.577 4.898 4.320 0.003 0.000 0.279 77 A C 0.809 178.344 177.584 -0.081 0.000 1.418 77 A CA 0.193 52.225 52.037 -0.007 0.000 1.035 77 A CB -1.315 17.690 19.000 0.008 0.000 1.047 77 A HN 0.771 8.921 8.150 -0.000 0.000 0.609 78 G N -1.506 107.231 108.800 -0.104 0.000 2.631 78 G HA2 0.380 4.342 3.960 0.003 0.000 0.271 78 G HA3 0.380 4.342 3.960 0.003 0.000 0.271 78 G C 1.262 176.089 174.900 -0.121 0.000 1.302 78 G CA 0.066 45.088 45.100 -0.131 0.000 1.002 78 G HN 0.680 8.970 8.290 -0.000 0.000 0.519 79 A N -0.539 122.202 122.820 -0.131 0.000 1.883 79 A HA 0.010 4.332 4.320 0.003 0.000 0.217 79 A C 1.495 178.926 177.584 -0.256 0.000 1.186 79 A CA 1.861 53.834 52.037 -0.107 0.000 0.624 79 A CB -0.651 18.315 19.000 -0.057 0.000 0.822 79 A HN 0.683 8.833 8.150 -0.000 0.000 0.444 83 G N 1.916 110.830 108.800 0.191 0.000 2.421 83 G HA2 -0.252 3.709 3.960 0.003 0.000 0.216 83 G HA3 -0.252 3.709 3.960 0.003 0.000 0.216 83 G C 1.129 176.227 174.900 0.329 0.000 1.171 83 G CA 1.095 46.387 45.100 0.320 0.000 0.775 83 G HN 0.090 8.380 8.290 -0.000 0.000 0.543 84 N N 1.090 119.994 118.700 0.341 0.000 2.104 84 N HA -0.097 4.644 4.740 0.003 0.000 0.190 84 N C 2.555 178.209 175.510 0.241 0.000 1.024 84 N CA 1.499 54.732 53.050 0.305 0.000 0.853 84 N CB -0.450 38.205 38.487 0.281 0.000 1.008 84 N HN 0.266 8.646 8.380 -0.000 0.000 0.424 85 S N 0.809 116.644 115.700 0.225 0.000 2.368 85 S HA -0.015 4.457 4.470 0.003 0.000 0.224 85 S C 2.137 176.854 174.600 0.196 0.000 1.029 85 S CA 1.003 59.330 58.200 0.213 0.000 0.988 85 S CB -0.368 62.961 63.200 0.216 0.000 0.838 85 S HN 0.503 8.813 8.310 -0.000 0.000 0.462 86 A N 1.978 124.913 122.820 0.193 0.000 1.858 86 A HA -0.055 4.267 4.320 0.003 0.000 0.216 86 A C 2.054 179.732 177.584 0.156 0.000 1.190 86 A CA 1.248 53.389 52.037 0.172 0.000 0.617 86 A CB -0.844 18.259 19.000 0.171 0.000 0.827 86 A HN 0.358 8.508 8.150 -0.000 0.000 0.443 87 L N 0.284 121.597 121.223 0.151 0.000 2.081 87 L HA -0.220 4.122 4.340 0.003 0.000 0.212 87 L C 2.047 178.994 176.870 0.128 0.000 1.080 87 L CA 2.463 57.372 54.840 0.115 0.000 0.754 87 L CB -1.304 40.823 42.059 0.113 0.000 0.893 87 L HN 0.615 8.845 8.230 -0.000 0.000 0.433 88 D N -0.912 119.597 120.400 0.182 0.000 2.097 88 D HA -0.177 4.465 4.640 0.003 0.000 0.197 88 D C 2.293 178.787 176.300 0.323 0.000 0.984 88 D CA 1.031 55.174 54.000 0.239 0.000 0.826 88 D CB 0.039 41.013 40.800 0.290 0.000 0.973 88 D HN 0.338 8.708 8.370 -0.000 0.000 0.460 89 I N 0.572 121.305 120.570 0.271 0.000 2.208 89 I HA -0.274 3.898 4.170 0.003 0.000 0.245 89 I C 2.456 178.703 176.117 0.217 0.000 1.097 89 I CA 1.161 62.613 61.300 0.254 0.000 1.363 89 I CB -0.337 37.756 38.000 0.154 0.000 1.051 89 I HN 0.070 8.280 8.210 -0.000 0.000 0.413 90 A N 0.723 123.631 122.820 0.146 0.000 1.972 90 A HA -0.140 4.181 4.320 0.003 0.000 0.219 90 A C 2.306 179.931 177.584 0.068 0.000 1.169 90 A CA 1.322 53.410 52.037 0.085 0.000 0.635 90 A CB -0.765 18.262 19.000 0.044 0.000 0.810 90 A HN 0.403 8.553 8.150 -0.000 0.000 0.446 91 L N -2.722 118.538 121.223 0.061 0.000 2.093 91 L HA -0.200 4.142 4.340 0.003 0.000 0.208 91 L C 2.531 179.369 176.870 -0.054 0.000 1.085 91 L CA 1.184 56.003 54.840 -0.036 0.000 0.755 91 L CB -0.506 41.491 42.059 -0.104 0.000 0.904 91 L HN 0.613 8.843 8.230 -0.000 0.000 0.435 92 W N 0.349 121.703 121.300 0.091 0.000 2.402 92 W HA -0.175 4.487 4.660 0.003 0.000 0.286 92 W C 2.344 178.887 176.519 0.041 0.000 1.221 92 W CA 0.828 58.236 57.345 0.106 0.000 1.257 92 W CB -0.220 29.271 29.460 0.051 0.000 1.120 92 W HN 0.174 8.354 8.180 -0.000 0.000 0.551 93 D N 0.435 120.955 120.400 0.200 0.000 2.097 93 D HA -0.178 4.463 4.640 0.003 0.000 0.195 93 D C 1.929 178.271 176.300 0.071 0.000 0.989 93 D CA 1.491 55.543 54.000 0.086 0.000 0.827 93 D CB -0.324 40.505 40.800 0.049 0.000 0.966 93 D HN 0.071 8.441 8.370 -0.000 0.000 0.456 94 I N -0.065 120.548 120.570 0.071 0.000 2.099 94 I HA -0.271 3.901 4.170 0.003 0.000 0.239 94 I C 2.227 178.419 176.117 0.126 0.000 1.066 94 I CA 0.725 62.062 61.300 0.061 0.000 1.324 94 I CB -0.388 37.625 38.000 0.022 0.000 1.037 94 I HN 0.026 8.236 8.210 -0.000 0.000 0.401 95 F N 2.136 122.045 119.950 -0.067 0.000 2.087 95 F HA -0.240 4.289 4.527 0.003 0.000 0.299 95 F C 2.310 178.098 175.800 -0.020 0.000 1.100 95 F CA 1.613 59.569 58.000 -0.073 0.000 1.226 95 F CB -1.321 37.585 39.000 -0.157 0.000 0.983 95 F HN 0.057 8.357 8.300 -0.000 0.000 0.479 96 G N -0.170 108.652 108.800 0.037 0.000 2.446 96 G HA2 -0.292 3.670 3.960 0.003 0.000 0.217 96 G HA3 -0.292 3.670 3.960 0.003 0.000 0.217 96 G C 1.798 176.667 174.900 -0.052 0.000 1.168 96 G CA 0.923 45.968 45.100 -0.092 0.000 0.771 96 G HN 0.405 8.695 8.290 -0.000 0.000 0.551 97 K N 0.504 120.904 120.400 -0.001 0.000 2.296 97 K HA 0.269 4.591 4.320 0.003 0.000 0.200 97 K C 2.658 179.268 176.600 0.016 0.000 1.048 97 K CA 0.647 56.935 56.287 0.001 0.000 0.966 97 K CB 0.031 32.536 32.500 0.009 0.000 0.754 97 K HN 0.265 8.515 8.250 -0.000 0.000 0.466 98 A N 1.154 124.002 122.820 0.047 0.000 2.119 98 A HA -0.068 4.254 4.320 0.003 0.000 0.216 98 A C 1.991 179.608 177.584 0.055 0.000 1.152 98 A CA 1.520 53.594 52.037 0.061 0.000 0.708 98 A CB -0.376 18.681 19.000 0.095 0.000 0.805 98 A HN 0.384 8.534 8.150 -0.000 0.000 0.460 99 T N -6.075 108.494 114.554 0.026 0.000 2.975 99 T HA 0.422 4.774 4.350 0.003 0.000 0.257 99 T C 1.260 175.936 174.700 -0.041 0.000 1.003 99 T CA 1.087 63.183 62.100 -0.007 0.000 0.932 99 T CB 0.276 69.109 68.868 -0.058 0.000 1.087 99 T HN 1.614 9.854 8.240 -0.000 0.000 0.512 100 G N 1.554 110.327 108.800 -0.045 0.000 2.160 100 G HA2 -0.172 3.789 3.960 0.003 0.000 0.244 100 G HA3 -0.172 3.789 3.960 0.003 0.000 0.244 100 G C -0.332 174.519 174.900 -0.081 0.000 1.022 100 G CA -0.154 44.916 45.100 -0.049 0.000 0.741 100 G HN 0.645 8.935 8.290 -0.000 0.000 0.508 101 Q N -0.111 119.612 119.800 -0.128 0.000 2.342 101 Q HA 0.521 4.862 4.340 0.003 0.000 0.267 101 Q C -2.457 173.406 176.000 -0.230 0.000 1.038 101 Q CA -1.914 53.776 55.803 -0.188 0.000 0.832 101 Q CB 2.824 31.422 28.738 -0.234 0.000 1.323 101 Q HN 0.275 8.545 8.270 -0.000 0.000 0.448 102 P HA 0.213 4.633 4.420 -0.000 0.000 0.274 102 P C 0.725 177.772 177.300 -0.422 0.000 1.246 102 P CA -0.231 62.661 63.100 -0.346 0.000 0.795 102 P CB 1.044 32.438 31.700 -0.510 0.000 1.006 103 I N 0.656 120.966 120.570 -0.433 0.000 2.226 103 I HA -0.304 3.868 4.170 0.003 0.000 0.245 103 I C 2.419 178.434 176.117 -0.171 0.000 1.100 103 I CA 1.704 62.779 61.300 -0.376 0.000 1.374 103 I CB -0.782 36.842 38.000 -0.627 0.000 1.057 103 I HN 0.420 8.630 8.210 -0.000 0.000 0.413 104 Y N 0.892 121.292 120.300 0.167 0.000 2.241 104 Y HA -0.311 4.241 4.550 0.003 0.000 0.286 104 Y C 2.367 178.270 175.900 0.005 0.000 1.166 104 Y CA 1.525 59.680 58.100 0.091 0.000 1.203 104 Y CB -1.160 37.366 38.460 0.111 0.000 0.977 104 Y HN 0.151 8.431 8.280 -0.000 0.000 0.529 105 Q N 1.103 120.764 119.800 -0.232 0.000 2.096 105 Q HA -0.006 4.336 4.340 0.003 0.000 0.197 105 Q C 1.961 177.909 176.000 -0.086 0.000 0.964 105 Q CA 1.842 57.571 55.803 -0.125 0.000 0.838 105 Q CB -0.500 28.078 28.738 -0.266 0.000 0.906 105 Q HN 0.688 8.958 8.270 -0.000 0.000 0.444 106 L N -0.034 121.101 121.223 -0.147 0.000 2.275 106 L HA -0.071 4.271 4.340 0.003 0.000 0.215 106 L C 1.997 178.911 176.870 0.072 0.000 1.119 106 L CA 0.490 55.279 54.840 -0.085 0.000 0.790 106 L CB -0.338 41.612 42.059 -0.183 0.000 0.919 106 L HN 0.237 8.467 8.230 -0.000 0.000 0.443 107 L N -0.523 120.672 121.223 -0.046 0.000 2.291 107 L HA 0.023 4.365 4.340 0.003 0.000 0.214 107 L C 1.503 178.380 176.870 0.012 0.000 1.120 107 L CA 1.004 55.800 54.840 -0.074 0.000 0.799 107 L CB -0.383 41.586 42.059 -0.150 0.000 0.925 107 L HN 0.495 8.725 8.230 -0.000 0.000 0.446 108 G N -1.347 107.474 108.800 0.035 0.000 2.507 108 G HA2 0.193 4.154 3.960 0.003 0.000 0.205 108 G HA3 0.193 4.154 3.960 0.003 0.000 0.205 108 G C 0.417 175.352 174.900 0.059 0.000 0.996 108 G CA -0.373 44.755 45.100 0.047 0.000 0.776 108 G HN 0.667 8.957 8.290 -0.000 0.000 0.532 109 G N 0.166 109.023 108.800 0.095 0.000 2.663 109 G HA2 0.402 4.364 3.960 0.003 0.000 0.686 109 G HA3 0.402 4.364 3.960 0.003 0.000 0.686 109 G C -0.065 174.932 174.900 0.162 0.000 1.246 109 G CA 0.111 45.303 45.100 0.153 0.000 0.795 109 G HN 1.362 9.652 8.290 -0.000 0.000 0.627 110 K N -0.788 119.709 120.400 0.161 0.000 2.258 110 K HA 0.498 4.820 4.320 0.003 0.000 0.264 110 K C 0.673 177.254 176.600 -0.031 0.000 1.007 110 K CA 0.136 56.399 56.287 -0.040 0.000 0.941 110 K CB 1.225 33.540 32.500 -0.307 0.000 0.966 110 K HN 0.642 8.892 8.250 -0.000 0.000 0.480 111 C N 1.006 120.275 119.300 -0.052 0.000 3.230 111 C HA 0.185 4.647 4.460 0.003 0.000 0.300 111 C C 0.401 175.364 174.990 -0.046 0.000 1.292 111 C CA -0.443 58.556 59.018 -0.033 0.000 1.707 111 C CB -0.661 27.069 27.740 -0.017 0.000 2.181 111 C HN 0.924 9.154 8.230 -0.000 0.000 0.655 112 R N 0.115 120.567 120.500 -0.081 0.000 2.739 112 R HA 0.425 4.767 4.340 0.003 0.000 0.271 112 R C -0.917 175.300 176.300 -0.138 0.000 1.010 112 R CA -0.557 55.495 56.100 -0.080 0.000 0.897 112 R CB 0.807 31.078 30.300 -0.048 0.000 1.236 112 R HN -0.164 8.106 8.270 -0.000 0.000 0.466 113 D N 0.776 121.107 120.400 -0.114 0.000 2.149 113 D HA -0.032 4.609 4.640 0.003 0.000 0.206 113 D C 0.575 176.793 176.300 -0.138 0.000 0.967 113 D CA 1.906 55.821 54.000 -0.143 0.000 0.848 113 D CB 0.264 41.004 40.800 -0.100 0.000 0.998 113 D HN 0.714 9.084 8.370 -0.000 0.000 0.474 114 T N -1.579 112.933 114.554 -0.070 0.000 2.930 114 T HA 0.654 5.006 4.350 0.003 0.000 0.290 114 T C -0.285 174.438 174.700 0.039 0.000 1.052 114 T CA -0.905 61.184 62.100 -0.019 0.000 1.017 114 T CB 2.450 71.346 68.868 0.047 0.000 1.137 114 T HN -0.017 8.223 8.240 -0.000 0.000 0.511 115 I N 0.521 121.095 120.570 0.007 0.000 2.569 115 I HA 0.530 4.702 4.170 0.003 0.000 0.296 115 I C 0.265 176.249 176.117 -0.222 0.000 1.028 115 I CA -1.440 59.835 61.300 -0.041 0.000 1.082 115 I CB 1.882 39.843 38.000 -0.065 0.000 1.264 115 I HN 0.810 9.020 8.210 -0.000 0.000 0.429 116 R N 4.142 124.340 120.500 -0.504 0.000 2.523 116 R HA 0.008 4.349 4.340 0.003 0.000 0.281 116 R C -0.441 175.671 176.300 -0.314 0.000 0.969 116 R CA 0.657 56.299 56.100 -0.763 0.000 1.093 116 R CB 0.425 30.425 30.300 -0.499 0.000 0.917 116 R HN 0.712 8.982 8.270 -0.000 0.000 0.408 117 T N 3.362 117.754 114.554 -0.269 0.000 2.943 117 T HA 0.489 4.841 4.350 0.003 0.000 0.284 117 T C -1.354 173.322 174.700 -0.039 0.000 1.015 117 T CA -0.501 61.519 62.100 -0.133 0.000 1.042 117 T CB 0.534 69.307 68.868 -0.159 0.000 1.055 117 T HN 0.517 8.757 8.240 -0.000 0.000 0.500 118 Y N 1.269 121.494 120.300 -0.125 0.000 2.545 118 Y HA 0.697 5.248 4.550 0.003 0.000 0.348 118 Y C -0.695 175.150 175.900 -0.093 0.000 1.002 118 Y CA -1.404 56.613 58.100 -0.139 0.000 1.039 118 Y CB 1.098 39.441 38.460 -0.194 0.000 1.271 118 Y HN 0.520 8.800 8.280 -0.000 0.000 0.467 119 N N 1.388 120.056 118.700 -0.055 0.000 2.426 119 N HA 0.292 5.034 4.740 0.003 0.000 0.257 119 N C -1.240 174.235 175.510 -0.058 0.000 1.002 119 N CA -0.278 52.693 53.050 -0.131 0.000 0.942 119 N CB 1.127 39.546 38.487 -0.114 0.000 1.112 119 N HN 0.758 9.138 8.380 -0.000 0.000 0.499 120 T N 3.727 118.208 114.554 -0.122 0.000 2.738 120 T HA 0.059 4.411 4.350 0.003 0.000 0.293 120 T C 0.219 174.982 174.700 0.106 0.000 0.913 120 T CA -0.213 61.935 62.100 0.080 0.000 1.103 120 T CB -0.400 68.496 68.868 0.046 0.000 0.880 120 T HN 0.565 8.805 8.240 -0.000 0.000 0.526 121 C N 4.968 124.351 119.300 0.138 0.000 3.424 121 C HA 0.488 4.950 4.460 0.003 0.000 0.577 121 C C 1.504 176.636 174.990 0.236 0.000 1.086 121 C CA -1.129 57.937 59.018 0.079 0.000 1.153 121 C CB -2.677 25.062 27.740 -0.001 0.000 1.411 121 C HN 0.923 9.153 8.230 -0.000 0.000 0.636 122 A N 1.084 124.116 122.820 0.353 0.000 2.293 122 A HA 0.702 5.024 4.320 0.003 0.000 0.302 122 A C 0.744 178.487 177.584 0.265 0.000 1.119 122 A CA 0.027 52.333 52.037 0.447 0.000 0.823 122 A CB 0.353 19.567 19.000 0.357 0.000 1.097 122 A HN 0.678 8.828 8.150 -0.000 0.000 0.491 123 G N 0.486 109.464 108.800 0.297 0.000 2.572 123 G HA2 0.520 4.482 3.960 0.003 0.000 0.261 123 G HA3 0.520 4.482 3.960 0.003 0.000 0.261 123 G C -2.614 172.531 174.900 0.408 0.000 1.197 123 G CA -1.092 44.167 45.100 0.265 0.000 0.870 123 G HN 0.561 8.851 8.290 -0.000 0.000 0.548 124 P HA 0.167 4.587 4.420 -0.000 0.000 0.269 124 P C -0.295 177.215 177.300 0.350 0.000 1.215 124 P CA -0.038 63.338 63.100 0.460 0.000 0.780 124 P CB 0.697 32.603 31.700 0.343 0.000 0.898 125 H N 1.348 120.517 119.070 0.165 0.000 2.417 125 H HA 0.393 4.951 4.556 0.003 0.000 0.325 125 H C -0.019 175.347 175.328 0.063 0.000 1.549 125 H CA 0.265 56.283 56.048 -0.050 0.000 1.476 125 H CB 0.028 29.532 29.762 -0.429 0.000 1.732 125 H HN 0.527 8.807 8.280 -0.000 0.000 0.695 148 Y N 0.627 120.940 120.300 0.022 0.000 2.958 148 Y HA 0.240 4.792 4.550 0.003 0.000 0.336 148 Y C -0.094 175.823 175.900 0.028 0.000 1.160 148 Y CA -1.220 56.886 58.100 0.010 0.000 1.292 148 Y CB 0.612 39.064 38.460 -0.014 0.000 1.306 148 Y HN 0.633 8.913 8.280 -0.000 0.000 0.547 149 D N 0.999 121.482 120.400 0.138 0.000 2.994 149 D HA 0.052 4.694 4.640 0.003 0.000 0.240 149 D C 0.477 176.807 176.300 0.049 0.000 1.195 149 D CA 0.329 54.376 54.000 0.079 0.000 0.957 149 D CB 0.052 40.873 40.800 0.035 0.000 1.105 149 D HN 0.340 8.710 8.370 -0.000 0.000 0.477 150 D N 0.122 120.567 120.400 0.076 0.000 2.249 150 D HA -0.079 4.563 4.640 0.003 0.000 0.205 150 D C 1.953 178.246 176.300 -0.012 0.000 0.962 150 D CA 0.179 54.208 54.000 0.048 0.000 0.860 150 D CB 0.244 41.080 40.800 0.059 0.000 0.955 150 D HN 0.333 8.703 8.370 -0.000 0.000 0.505 151 L N 0.984 122.171 121.223 -0.061 0.000 1.994 151 L HA -0.095 4.247 4.340 0.003 0.000 0.208 151 L C 1.619 178.095 176.870 -0.656 0.000 1.071 151 L CA 1.595 56.217 54.840 -0.363 0.000 0.745 151 L CB -0.435 41.563 42.059 -0.102 0.000 0.892 151 L HN -0.100 8.130 8.230 -0.000 0.000 0.431 152 N N -0.045 118.474 118.700 -0.303 0.000 2.244 152 N HA -0.127 4.614 4.740 0.003 0.000 0.183 152 N C 1.802 177.196 175.510 -0.194 0.000 1.016 152 N CA 1.320 54.242 53.050 -0.213 0.000 0.866 152 N CB -0.250 38.223 38.487 -0.023 0.000 0.980 152 N HN 0.549 8.929 8.380 -0.000 0.000 0.430 153 A N 1.567 124.298 122.820 -0.148 0.000 1.865 153 A HA -0.181 4.141 4.320 0.003 0.000 0.217 153 A C 2.055 179.561 177.584 -0.131 0.000 1.191 153 A CA 1.526 53.511 52.037 -0.086 0.000 0.623 153 A CB -1.202 17.784 19.000 -0.022 0.000 0.826 153 A HN 0.486 8.636 8.150 -0.000 0.000 0.444 154 F N -0.410 119.395 119.950 -0.241 0.000 2.293 154 F HA 0.019 4.548 4.527 0.003 0.000 0.300 154 F C 1.633 177.198 175.800 -0.391 0.000 1.086 154 F CA 1.118 58.919 58.000 -0.332 0.000 1.375 154 F CB -0.402 38.348 39.000 -0.417 0.000 1.045 154 F HN 0.094 8.394 8.300 -0.000 0.000 0.516 155 L N -0.224 120.499 121.223 -0.833 0.000 2.141 155 L HA -0.129 4.212 4.340 0.003 0.000 0.209 155 L C 2.273 178.702 176.870 -0.736 0.000 1.094 155 L CA 1.142 55.446 54.840 -0.895 0.000 0.763 155 L CB -0.579 40.720 42.059 -1.267 0.000 0.908 155 L HN 0.339 8.569 8.230 -0.000 0.000 0.437 156 H N -1.264 117.701 119.070 -0.174 0.000 2.348 156 H HA 0.264 4.822 4.556 0.003 0.000 0.233 156 H C 0.624 175.903 175.328 -0.081 0.000 0.889 156 H CA 0.074 56.056 56.048 -0.111 0.000 1.034 156 H CB 0.546 30.244 29.762 -0.107 0.000 1.393 156 H HN 0.169 8.449 8.280 -0.000 0.000 0.422 157 R N 1.476 121.992 120.500 0.028 0.000 3.220 157 R HA 0.526 4.867 4.340 0.003 0.000 0.324 157 R C 0.672 176.960 176.300 -0.021 0.000 1.283 157 R CA 0.035 56.138 56.100 0.006 0.000 1.387 157 R CB 0.850 31.157 30.300 0.013 0.000 1.413 157 R HN 0.102 8.372 8.270 -0.000 0.000 0.610 158 A N 1.278 124.071 122.820 -0.045 0.000 2.016 158 A HA -0.150 4.172 4.320 0.003 0.000 0.217 158 A C 1.388 178.941 177.584 -0.053 0.000 1.162 158 A CA 1.252 53.252 52.037 -0.061 0.000 0.662 158 A CB -0.082 18.852 19.000 -0.110 0.000 0.812 158 A HN 0.500 8.650 8.150 -0.000 0.000 0.450 159 D N 0.482 120.860 120.400 -0.037 0.000 2.123 159 D HA -0.216 4.426 4.640 0.003 0.000 0.196 159 D C 1.538 177.829 176.300 -0.015 0.000 0.992 159 D CA 1.750 55.737 54.000 -0.022 0.000 0.833 159 D CB -0.660 40.134 40.800 -0.010 0.000 0.954 159 D HN 0.590 8.960 8.370 -0.000 0.000 0.455 160 E N -0.577 119.616 120.200 -0.010 0.000 2.072 160 E HA -0.062 4.289 4.350 0.003 0.000 0.191 160 E C 1.985 178.585 176.600 -0.001 0.000 0.985 160 E CA 0.427 56.826 56.400 -0.003 0.000 0.801 160 E CB -0.141 29.560 29.700 0.001 0.000 0.750 160 E HN 0.228 8.588 8.360 -0.000 0.000 0.452 161 L N 0.564 121.783 121.223 -0.007 0.000 2.093 161 L HA -0.063 4.279 4.340 0.003 0.000 0.208 161 L C 2.083 178.943 176.870 -0.018 0.000 1.085 161 L CA 1.933 56.770 54.840 -0.005 0.000 0.755 161 L CB -0.569 41.486 42.059 -0.007 0.000 0.904 161 L HN 0.054 8.284 8.230 -0.000 0.000 0.435 162 A N -0.083 122.719 122.820 -0.030 0.000 1.865 162 A HA -0.191 4.131 4.320 0.003 0.000 0.217 162 A C 2.268 179.840 177.584 -0.021 0.000 1.191 162 A CA 2.181 54.197 52.037 -0.036 0.000 0.623 162 A CB -1.079 17.896 19.000 -0.041 0.000 0.826 162 A HN 0.505 8.655 8.150 -0.000 0.000 0.444 163 L N -0.546 120.670 121.223 -0.011 0.000 2.079 163 L HA -0.218 4.124 4.340 0.003 0.000 0.210 163 L C 2.420 179.291 176.870 0.003 0.000 1.081 163 L CA 1.748 56.586 54.840 -0.003 0.000 0.752 163 L CB -0.534 41.525 42.059 0.001 0.000 0.896 163 L HN 0.491 8.721 8.230 -0.000 0.000 0.433 164 D N 0.123 120.528 120.400 0.008 0.000 2.117 164 D HA -0.167 4.475 4.640 0.003 0.000 0.198 164 D C 2.240 178.549 176.300 0.014 0.000 0.982 164 D CA 1.236 55.249 54.000 0.022 0.000 0.828 164 D CB 0.022 40.845 40.800 0.038 0.000 0.967 164 D HN 0.193 8.563 8.370 -0.000 0.000 0.464 165 L N -0.256 120.963 121.223 -0.006 0.000 2.093 165 L HA -0.081 4.261 4.340 0.003 0.000 0.208 165 L C 2.427 179.288 176.870 -0.016 0.000 1.085 165 L CA 0.408 55.234 54.840 -0.022 0.000 0.755 165 L CB -0.302 41.732 42.059 -0.043 0.000 0.904 165 L HN 0.148 8.378 8.230 -0.000 0.000 0.435 166 L N -0.447 120.768 121.223 -0.013 0.000 2.131 166 L HA -0.223 4.119 4.340 0.003 0.000 0.210 166 L C 2.125 178.995 176.870 0.000 0.000 1.092 166 L CA 1.635 56.469 54.840 -0.010 0.000 0.759 166 L CB -0.495 41.558 42.059 -0.011 0.000 0.903 166 L HN 0.225 8.455 8.230 -0.000 0.000 0.435 167 D N -1.195 119.209 120.400 0.006 0.000 2.144 167 D HA -0.127 4.515 4.640 0.003 0.000 0.200 167 D C 2.164 178.475 176.300 0.017 0.000 0.978 167 D CA 1.418 55.426 54.000 0.013 0.000 0.833 167 D CB 0.251 41.062 40.800 0.019 0.000 0.961 167 D HN 0.512 8.882 8.370 -0.000 0.000 0.470 168 S N -1.348 114.363 115.700 0.020 0.000 2.527 168 S HA 0.223 4.695 4.470 0.003 0.000 0.222 168 S C 1.673 176.285 174.600 0.019 0.000 0.985 168 S CA 0.802 59.016 58.200 0.024 0.000 0.921 168 S CB 0.743 63.961 63.200 0.030 0.000 0.772 168 S HN 0.306 8.617 8.310 -0.000 0.000 0.529 169 G N 0.815 109.622 108.800 0.012 0.000 2.163 169 G HA2 -0.181 3.781 3.960 0.003 0.000 0.213 169 G HA3 -0.181 3.781 3.960 0.003 0.000 0.213 169 G C -0.081 174.827 174.900 0.014 0.000 0.991 169 G CA -0.213 44.896 45.100 0.015 0.000 0.653 169 G HN 0.525 8.815 8.290 -0.000 0.000 0.518 170 I N 2.612 123.180 120.570 -0.004 0.000 2.436 170 I HA 0.280 4.452 4.170 0.003 0.000 0.289 170 I C 1.675 177.767 176.117 -0.041 0.000 1.083 170 I CA 0.830 62.116 61.300 -0.024 0.000 1.372 170 I CB 1.203 39.183 38.000 -0.034 0.000 1.408 170 I HN 0.241 8.451 8.210 -0.000 0.000 0.516 171 T N 2.454 116.973 114.554 -0.058 0.000 3.186 171 T HA 0.644 4.995 4.350 0.003 0.000 0.257 171 T C 0.176 174.790 174.700 -0.144 0.000 1.029 171 T CA -0.280 61.770 62.100 -0.084 0.000 0.916 171 T CB 0.170 68.993 68.868 -0.074 0.000 1.041 171 T HN 0.595 8.835 8.240 -0.000 0.000 0.562 175 I N -0.366 120.023 120.570 -0.301 0.000 3.108 175 I HA 0.801 4.972 4.170 0.003 0.000 0.312 175 I C -1.094 174.782 176.117 -0.402 0.000 1.095 175 I CA -0.861 59.866 61.300 -0.955 0.000 1.000 175 I CB 1.651 38.784 38.000 -1.444 0.000 1.229 175 I HN 0.794 9.004 8.210 -0.000 0.000 0.454 176 W N 1.392 122.315 121.300 -0.628 0.000 1.402 176 W HA 0.550 5.212 4.660 0.003 0.000 0.300 176 W C -2.652 173.977 176.519 0.183 0.000 0.853 176 W CA -1.443 55.870 57.345 -0.055 0.000 2.057 176 W CB -0.292 29.258 29.460 0.151 0.000 2.087 176 W HN 0.231 8.411 8.180 -0.000 0.000 0.466 177 P HA -0.018 4.402 4.420 -0.000 0.000 0.241 177 P C 0.683 178.026 177.300 0.072 0.000 1.191 177 P CA 0.804 63.925 63.100 0.035 0.000 0.771 177 P CB -0.043 31.512 31.700 -0.241 0.000 0.929 178 F N 0.265 120.496 119.950 0.468 0.000 2.743 178 F HA 0.048 4.577 4.527 0.003 0.000 0.297 178 F C 1.771 178.014 175.800 0.739 0.000 1.131 178 F CA 0.323 58.730 58.000 0.679 0.000 1.426 178 F CB -0.787 38.636 39.000 0.704 0.000 1.116 178 F HN -0.161 8.139 8.300 -0.000 0.000 0.583 179 D N 1.306 122.113 120.400 0.677 0.000 2.133 179 D HA -0.191 4.451 4.640 0.003 0.000 0.192 179 D C -0.489 175.926 176.300 0.193 0.000 1.001 179 D CA 1.655 55.921 54.000 0.444 0.000 0.844 179 D CB -1.662 39.436 40.800 0.497 0.000 0.944 179 D HN 0.206 8.576 8.370 -0.000 0.000 0.447 180 P HA -0.042 4.378 4.420 -0.000 0.000 0.229 180 P C 0.674 177.845 177.300 -0.214 0.000 1.160 180 P CA 0.820 63.806 63.100 -0.191 0.000 0.777 180 P CB -0.123 31.341 31.700 -0.393 0.000 0.814 181 Y N -0.702 119.760 120.300 0.270 0.000 2.523 181 Y HA 0.200 4.751 4.550 0.003 0.000 0.279 181 Y C 2.477 178.498 175.900 0.202 0.000 1.139 181 Y CA 0.322 58.610 58.100 0.315 0.000 1.296 181 Y CB -0.813 37.923 38.460 0.459 0.000 1.045 181 Y HN -0.073 8.207 8.280 -0.000 0.000 0.538 182 A N 1.141 123.945 122.820 -0.027 0.000 1.898 182 A HA -0.232 4.090 4.320 0.003 0.000 0.216 182 A C 1.980 179.415 177.584 -0.248 0.000 1.181 182 A CA 1.893 53.565 52.037 -0.608 0.000 0.620 182 A CB -0.536 17.931 19.000 -0.889 0.000 0.819 182 A HN 0.570 8.720 8.150 -0.000 0.000 0.442 183 E N 0.160 120.294 120.200 -0.110 0.000 2.274 183 E HA 0.166 4.517 4.350 0.003 0.000 0.194 183 E C 1.690 178.298 176.600 0.013 0.000 0.996 183 E CA 1.022 57.388 56.400 -0.057 0.000 0.840 183 E CB -0.483 29.189 29.700 -0.046 0.000 0.772 183 E HN 0.433 8.793 8.360 -0.000 0.000 0.491 184 A N 1.268 124.129 122.820 0.069 0.000 2.015 184 A HA -0.092 4.229 4.320 0.003 0.000 0.219 184 A C 2.190 179.861 177.584 0.145 0.000 1.163 184 A CA 1.508 53.616 52.037 0.119 0.000 0.646 184 A CB -0.335 18.774 19.000 0.181 0.000 0.806 184 A HN 0.367 8.517 8.150 -0.000 0.000 0.448 185 S N -2.289 113.510 115.700 0.165 0.000 2.819 185 S HA 0.207 4.679 4.470 0.003 0.000 0.249 185 S C -0.140 174.597 174.600 0.229 0.000 1.030 185 S CA 0.410 58.750 58.200 0.234 0.000 1.052 185 S CB -0.053 63.380 63.200 0.389 0.000 1.017 185 S HN 0.439 8.749 8.310 -0.000 0.000 0.576 186 D N 1.769 122.231 120.400 0.103 0.000 2.811 186 D HA -0.185 4.457 4.640 0.003 0.000 0.231 186 D C 0.996 177.197 176.300 -0.165 0.000 1.157 186 D CA 1.174 55.198 54.000 0.040 0.000 0.716 186 D CB -1.724 39.194 40.800 0.196 0.000 1.077 186 D HN 1.138 9.508 8.370 -0.000 0.000 0.428 187 G N -0.864 107.788 108.800 -0.248 0.000 2.160 187 G HA2 -0.386 3.576 3.960 0.003 0.000 0.251 187 G HA3 -0.386 3.576 3.960 0.003 0.000 0.251 187 G C 0.453 175.284 174.900 -0.115 0.000 1.008 187 G CA 0.639 45.505 45.100 -0.390 0.000 0.724 187 G HN 0.531 8.821 8.290 -0.000 0.000 0.514 188 Y N -1.693 118.747 120.300 0.234 0.000 2.449 188 Y HA 0.488 5.039 4.550 0.003 0.000 0.254 188 Y C 0.713 176.837 175.900 0.373 0.000 1.140 188 Y CA 0.211 58.466 58.100 0.259 0.000 1.272 188 Y CB 0.613 39.171 38.460 0.163 0.000 1.114 188 Y HN 0.418 8.698 8.280 -0.000 0.000 0.525 189 Y N 0.277 120.823 120.300 0.409 0.000 2.442 189 Y HA 0.504 5.056 4.550 0.003 0.000 0.330 189 Y C -1.883 174.261 175.900 0.406 0.000 1.100 189 Y CA -1.814 56.480 58.100 0.322 0.000 1.034 189 Y CB 1.249 39.850 38.460 0.235 0.000 1.285 189 Y HN -0.133 8.147 8.280 -0.000 0.000 0.440 190 I N 5.958 126.268 120.570 -0.434 0.000 2.498 190 I HA 0.491 4.663 4.170 0.003 0.000 0.290 190 I C -0.526 175.014 176.117 -0.961 0.000 1.032 190 I CA -0.490 60.502 61.300 -0.513 0.000 1.073 190 I CB 1.583 39.411 38.000 -0.286 0.000 1.251 190 I HN 0.738 8.948 8.210 -0.000 0.000 0.426 191 S N 5.338 120.619 115.700 -0.698 0.000 2.585 191 S HA 0.217 4.689 4.470 0.003 0.000 0.273 191 S C 0.892 175.375 174.600 -0.195 0.000 1.339 191 S CA -0.248 57.756 58.200 -0.327 0.000 1.028 191 S CB 1.452 64.650 63.200 -0.002 0.000 0.906 191 S HN 0.795 9.105 8.310 -0.000 0.000 0.528 192 K N 1.092 121.440 120.400 -0.087 0.000 2.209 192 K HA -0.079 4.242 4.320 0.003 0.000 0.204 192 K C 2.402 178.972 176.600 -0.049 0.000 1.048 192 K CA 1.495 57.747 56.287 -0.058 0.000 0.940 192 K CB -0.232 32.260 32.500 -0.013 0.000 0.729 192 K HN 0.809 9.059 8.250 -0.000 0.000 0.451 193 S N 0.255 115.931 115.700 -0.041 0.000 2.406 193 S HA -0.063 4.409 4.470 0.003 0.000 0.224 193 S C 1.459 176.006 174.600 -0.088 0.000 1.030 193 S CA 0.826 59.006 58.200 -0.033 0.000 0.958 193 S CB -0.049 63.153 63.200 0.002 0.000 0.811 193 S HN 0.109 8.419 8.310 -0.000 0.000 0.489 194 D N 1.394 121.694 120.400 -0.167 0.000 2.178 194 D HA 0.015 4.657 4.640 0.003 0.000 0.202 194 D C 1.784 177.813 176.300 -0.452 0.000 0.974 194 D CA 0.498 54.246 54.000 -0.420 0.000 0.841 194 D CB -0.380 40.091 40.800 -0.547 0.000 0.953 194 D HN 0.315 8.685 8.370 -0.000 0.000 0.478 195 L N 0.880 121.967 121.223 -0.225 0.000 2.056 195 L HA -0.082 4.260 4.340 0.003 0.000 0.207 195 L C 1.937 178.810 176.870 0.004 0.000 1.078 195 L CA 1.751 56.550 54.840 -0.069 0.000 0.749 195 L CB -0.468 41.559 42.059 -0.054 0.000 0.901 195 L HN -0.214 8.016 8.230 -0.000 0.000 0.433 196 K N -0.864 119.528 120.400 -0.014 0.000 2.211 196 K HA -0.105 4.217 4.320 0.003 0.000 0.203 196 K C 2.319 178.932 176.600 0.021 0.000 1.050 196 K CA 1.046 57.352 56.287 0.031 0.000 0.945 196 K CB -0.077 32.439 32.500 0.026 0.000 0.732 196 K HN 0.173 8.423 8.250 -0.000 0.000 0.451 197 R N -1.012 119.471 120.500 -0.028 0.000 2.161 197 R HA 0.089 4.431 4.340 0.003 0.000 0.213 197 R C 1.735 178.031 176.300 -0.007 0.000 1.055 197 R CA 0.918 57.015 56.100 -0.006 0.000 0.996 197 R CB 0.044 30.349 30.300 0.008 0.000 0.901 197 R HN 0.183 8.453 8.270 -0.000 0.000 0.456 198 A N 0.113 122.895 122.820 -0.065 0.000 2.119 198 A HA -0.031 4.291 4.320 0.003 0.000 0.216 198 A C 1.628 179.104 177.584 -0.180 0.000 1.152 198 A CA 0.589 52.538 52.037 -0.145 0.000 0.708 198 A CB 0.014 18.864 19.000 -0.251 0.000 0.805 198 A HN 0.158 8.308 8.150 -0.000 0.000 0.460 199 L N -0.081 121.155 121.223 0.021 0.000 2.395 199 L HA 0.012 4.354 4.340 0.003 0.000 0.218 199 L C 2.046 178.954 176.870 0.064 0.000 1.130 199 L CA 1.326 56.264 54.840 0.163 0.000 0.826 199 L CB -0.618 41.577 42.059 0.228 0.000 0.941 199 L HN 0.453 8.683 8.230 -0.000 0.000 0.451 200 E N -0.319 119.883 120.200 0.003 0.000 2.110 200 E HA -0.204 4.148 4.350 0.003 0.000 0.193 200 E C -0.568 175.967 176.600 -0.108 0.000 0.988 200 E CA 1.123 57.509 56.400 -0.023 0.000 0.804 200 E CB -0.787 28.912 29.700 -0.003 0.000 0.745 200 E HN 0.407 8.767 8.360 -0.000 0.000 0.458 201 P HA -0.174 4.246 4.420 -0.000 0.000 0.218 201 P C 0.617 177.621 177.300 -0.492 0.000 1.146 201 P CA 1.203 64.087 63.100 -0.360 0.000 0.813 201 P CB -0.030 31.377 31.700 -0.489 0.000 0.778 202 F N -0.854 118.890 119.950 -0.342 0.000 2.270 202 F HA 0.014 4.543 4.527 0.003 0.000 0.295 202 F C 2.460 178.007 175.800 -0.420 0.000 1.087 202 F CA 0.926 58.620 58.000 -0.510 0.000 1.365 202 F CB -0.760 37.661 39.000 -0.964 0.000 1.056 202 F HN -0.065 8.235 8.300 -0.000 0.000 0.506 203 E N 0.643 120.761 120.200 -0.137 0.000 2.107 203 E HA -0.157 4.195 4.350 0.003 0.000 0.191 203 E C 2.071 178.714 176.600 0.072 0.000 0.982 203 E CA 0.979 57.455 56.400 0.127 0.000 0.809 203 E CB 0.052 29.875 29.700 0.205 0.000 0.756 203 E HN 0.235 8.595 8.360 -0.000 0.000 0.459 204 K N 0.217 120.616 120.400 -0.001 0.000 2.032 204 K HA -0.187 4.135 4.320 0.003 0.000 0.209 204 K C 2.302 178.898 176.600 -0.007 0.000 1.048 204 K CA 1.776 58.058 56.287 -0.009 0.000 0.927 204 K CB -0.320 32.155 32.500 -0.041 0.000 0.712 204 K HN 0.313 8.563 8.250 -0.000 0.000 0.441 205 I N -1.156 119.395 120.570 -0.032 0.000 2.761 205 I HA -0.117 4.054 4.170 0.003 0.000 0.261 205 I C 2.131 178.265 176.117 0.028 0.000 1.198 205 I CA 0.979 62.267 61.300 -0.020 0.000 1.482 205 I CB -0.014 37.949 38.000 -0.062 0.000 1.100 205 I HN -0.016 8.194 8.210 -0.000 0.000 0.445 206 R N 1.025 121.569 120.500 0.074 0.000 2.081 206 R HA -0.133 4.208 4.340 0.003 0.000 0.235 206 R C 2.358 178.708 176.300 0.082 0.000 1.131 206 R CA 1.554 57.726 56.100 0.119 0.000 0.960 206 R CB -0.196 30.242 30.300 0.229 0.000 0.856 206 R HN 0.336 8.606 8.270 -0.000 0.000 0.436 207 R N -0.273 120.268 120.500 0.069 0.000 2.090 207 R HA 0.023 4.365 4.340 0.003 0.000 0.228 207 R C 2.101 178.419 176.300 0.031 0.000 1.110 207 R CA 1.457 57.586 56.100 0.048 0.000 0.973 207 R CB -0.336 29.991 30.300 0.045 0.000 0.869 207 R HN 0.237 8.507 8.270 -0.000 0.000 0.440 208 A N -0.250 122.583 122.820 0.022 0.000 1.832 208 A HA -0.091 4.231 4.320 0.003 0.000 0.214 208 A C 2.013 179.603 177.584 0.011 0.000 1.204 208 A CA 1.938 53.982 52.037 0.012 0.000 0.606 208 A CB -0.522 18.479 19.000 0.002 0.000 0.849 208 A HN 0.183 8.333 8.150 -0.000 0.000 0.445 209 V N -4.031 115.889 119.914 0.010 0.000 3.379 209 V HA 0.527 4.649 4.120 0.003 0.000 0.249 209 V C 1.763 177.866 176.094 0.015 0.000 1.184 209 V CA 0.766 63.070 62.300 0.007 0.000 1.106 209 V CB -1.051 30.769 31.823 -0.005 0.000 0.826 209 V HN 1.582 9.772 8.190 -0.000 0.000 0.465 210 G N 1.283 110.100 108.800 0.028 0.000 2.574 210 G HA2 -0.438 3.524 3.960 0.003 0.000 0.301 210 G HA3 -0.438 3.524 3.960 0.003 0.000 0.301 210 G C 0.591 175.513 174.900 0.035 0.000 1.166 210 G CA 0.892 46.017 45.100 0.040 0.000 0.971 210 G HN 0.410 8.700 8.290 -0.000 0.000 0.542 211 D N 1.607 122.024 120.400 0.028 0.000 2.221 211 D HA 0.049 4.690 4.640 0.003 0.000 0.204 211 D C 1.702 178.007 176.300 0.009 0.000 0.982 211 D CA 1.229 55.243 54.000 0.023 0.000 0.857 211 D CB -0.005 40.806 40.800 0.019 0.000 0.934 211 D HN 0.496 8.866 8.370 -0.000 0.000 0.475 218 E N 3.053 123.231 120.200 -0.036 0.000 2.197 218 E HA 0.660 5.012 4.350 0.003 0.000 0.281 218 E C -0.604 175.886 176.600 -0.183 0.000 0.995 218 E CA -0.199 56.174 56.400 -0.044 0.000 0.808 218 E CB 1.299 30.974 29.700 -0.042 0.000 1.093 218 E HN 0.480 8.840 8.360 -0.000 0.000 0.394 219 F N 1.756 121.779 119.950 0.122 0.000 2.724 219 F HA 0.228 4.757 4.527 0.003 0.000 0.306 219 F C 0.373 176.305 175.800 0.220 0.000 1.100 219 F CA -0.185 57.965 58.000 0.249 0.000 1.255 219 F CB 0.106 39.236 39.000 0.217 0.000 1.072 219 F HN 0.729 9.029 8.300 -0.000 0.000 0.589 220 H N -0.303 118.918 119.070 0.252 0.000 2.861 220 H HA -0.239 4.319 4.556 0.003 0.000 0.289 220 H C 0.872 176.231 175.328 0.051 0.000 1.176 220 H CA 0.319 56.426 56.048 0.099 0.000 1.146 220 H CB -1.759 28.021 29.762 0.031 0.000 1.330 220 H HN 0.164 8.444 8.280 -0.000 0.000 0.379 221 S N -1.857 113.938 115.700 0.158 0.000 3.561 221 S HA -0.248 4.224 4.470 0.003 0.000 0.318 221 S C 1.260 175.849 174.600 -0.019 0.000 1.181 221 S CA 0.930 59.157 58.200 0.045 0.000 0.916 221 S CB -1.330 61.868 63.200 -0.003 0.000 0.966 221 S HN 0.568 8.878 8.310 -0.000 0.000 0.550 222 L N -1.727 119.483 121.223 -0.022 0.000 2.477 222 L HA 0.206 4.548 4.340 0.003 0.000 0.220 222 L C 0.738 177.312 176.870 -0.493 0.000 1.106 222 L CA 0.559 55.229 54.840 -0.282 0.000 0.851 222 L CB 0.150 41.992 42.059 -0.362 0.000 0.994 222 L HN 0.413 8.643 8.230 -0.000 0.000 0.462 223 W N 0.121 121.364 121.300 -0.094 0.000 2.551 223 W HA 0.329 4.991 4.660 0.003 0.000 0.330 223 W C 0.413 176.796 176.519 -0.227 0.000 1.063 223 W CA -0.653 56.592 57.345 -0.166 0.000 1.222 223 W CB 0.803 30.146 29.460 -0.195 0.000 1.349 223 W HN -0.171 8.009 8.180 -0.000 0.000 0.536 224 N N 1.110 119.800 118.700 -0.018 0.000 2.476 224 N HA 0.200 4.942 4.740 0.003 0.000 0.287 224 N C 0.750 176.283 175.510 0.038 0.000 1.262 224 N CA -0.557 52.444 53.050 -0.081 0.000 0.980 224 N CB 0.835 39.140 38.487 -0.304 0.000 1.163 224 N HN 0.363 8.743 8.380 -0.000 0.000 0.592 225 L N 2.064 123.323 121.223 0.061 0.000 1.988 225 L HA -0.008 4.334 4.340 0.003 0.000 0.207 225 L C -0.994 175.913 176.870 0.063 0.000 1.071 225 L CA 1.924 56.804 54.840 0.068 0.000 0.744 225 L CB -1.347 40.754 42.059 0.070 0.000 0.893 225 L HN 0.469 8.699 8.230 -0.000 0.000 0.433 226 P HA -0.116 4.304 4.420 -0.000 0.000 0.215 226 P C -1.472 175.831 177.300 0.005 0.000 1.157 226 P CA 2.045 65.180 63.100 0.057 0.000 0.868 226 P CB -1.402 30.358 31.700 0.101 0.000 0.788 227 P HA -0.073 4.347 4.420 -0.000 0.000 0.219 227 P C 1.435 178.535 177.300 -0.333 0.000 1.150 227 P CA 1.589 64.606 63.100 -0.140 0.000 0.814 227 P CB -0.467 31.204 31.700 -0.047 0.000 0.787 228 A N 0.668 123.350 122.820 -0.229 0.000 1.892 228 A HA -0.181 4.140 4.320 0.003 0.000 0.218 228 A C 2.415 179.914 177.584 -0.142 0.000 1.188 228 A CA 1.686 53.558 52.037 -0.275 0.000 0.631 228 A CB -1.681 17.249 19.000 -0.117 0.000 0.822 228 A HN 0.140 8.290 8.150 -0.000 0.000 0.447 229 L N -1.283 119.885 121.223 -0.091 0.000 2.056 229 L HA -0.223 4.118 4.340 0.003 0.000 0.207 229 L C 2.918 179.671 176.870 -0.195 0.000 1.078 229 L CA 1.696 56.439 54.840 -0.162 0.000 0.749 229 L CB -0.577 41.420 42.059 -0.104 0.000 0.901 229 L HN 0.544 8.774 8.230 -0.000 0.000 0.433 230 Q N 0.328 120.017 119.800 -0.184 0.000 2.084 230 Q HA -0.213 4.129 4.340 0.003 0.000 0.202 230 Q C 2.327 178.186 176.000 -0.235 0.000 0.978 230 Q CA 1.602 57.296 55.803 -0.182 0.000 0.844 230 Q CB -0.009 28.626 28.738 -0.172 0.000 0.898 230 Q HN 0.518 8.788 8.270 -0.000 0.000 0.426 231 I N 0.156 120.508 120.570 -0.365 0.000 2.202 231 I HA -0.251 3.921 4.170 0.003 0.000 0.242 231 I C 2.406 178.313 176.117 -0.350 0.000 1.091 231 I CA 0.983 62.010 61.300 -0.455 0.000 1.368 231 I CB -0.378 37.114 38.000 -0.847 0.000 1.058 231 I HN 0.180 8.390 8.210 -0.000 0.000 0.410 232 A N 0.428 123.048 122.820 -0.333 0.000 1.908 232 A HA -0.291 4.031 4.320 0.003 0.000 0.218 232 A C 2.215 179.722 177.584 -0.128 0.000 1.181 232 A CA 2.215 54.112 52.037 -0.233 0.000 0.627 232 A CB -0.618 18.168 19.000 -0.356 0.000 0.818 232 A HN 0.451 8.601 8.150 -0.000 0.000 0.445 233 E N 0.304 120.414 120.200 -0.151 0.000 2.077 233 E HA -0.074 4.278 4.350 0.003 0.000 0.193 233 E C 1.922 178.481 176.600 -0.068 0.000 0.989 233 E CA 1.645 57.983 56.400 -0.103 0.000 0.800 233 E CB -0.456 29.181 29.700 -0.105 0.000 0.746 233 E HN 0.477 8.837 8.360 -0.000 0.000 0.452 234 A N 0.154 122.934 122.820 -0.067 0.000 1.969 234 A HA -0.033 4.289 4.320 0.003 0.000 0.218 234 A C 2.144 179.756 177.584 0.045 0.000 1.169 234 A CA 1.042 53.073 52.037 -0.009 0.000 0.635 234 A CB -0.443 18.564 19.000 0.013 0.000 0.810 234 A HN 0.349 8.499 8.150 -0.000 0.000 0.445 235 L N -1.178 120.057 121.223 0.019 0.000 2.492 235 L HA 0.022 4.363 4.340 0.003 0.000 0.223 235 L C 2.493 179.416 176.870 0.089 0.000 1.132 235 L CA 0.464 55.341 54.840 0.062 0.000 0.850 235 L CB -0.327 41.728 42.059 -0.007 0.000 0.966 235 L HN 0.467 8.697 8.230 -0.000 0.000 0.454 236 R N 0.847 121.366 120.500 0.032 0.000 2.091 236 R HA -0.248 4.094 4.340 0.003 0.000 0.238 236 R C 2.115 178.391 176.300 -0.040 0.000 1.136 236 R CA 1.850 57.949 56.100 -0.002 0.000 0.959 236 R CB -0.128 30.151 30.300 -0.034 0.000 0.856 236 R HN 0.353 8.623 8.270 -0.000 0.000 0.437 237 E N -0.483 119.651 120.200 -0.111 0.000 2.130 237 E HA -0.224 4.128 4.350 0.003 0.000 0.196 237 E C 0.947 177.394 176.600 -0.255 0.000 0.998 237 E CA 1.350 57.605 56.400 -0.242 0.000 0.806 237 E CB -0.039 29.408 29.700 -0.421 0.000 0.738 237 E HN 0.500 8.860 8.360 -0.000 0.000 0.459 238 Y N 0.326 120.614 120.300 -0.020 0.000 2.490 238 Y HA 0.137 4.689 4.550 0.003 0.000 0.281 238 Y C 0.118 176.026 175.900 0.014 0.000 1.174 238 Y CA 0.397 58.497 58.100 -0.000 0.000 1.295 238 Y CB 0.222 38.661 38.460 -0.034 0.000 1.062 238 Y HN 0.004 8.284 8.280 -0.000 0.000 0.522 239 E N 1.041 121.305 120.200 0.106 0.000 2.183 239 E HA -0.201 4.151 4.350 0.003 0.000 0.196 239 E C 0.045 176.705 176.600 0.101 0.000 1.364 239 E CA 0.584 57.028 56.400 0.074 0.000 0.700 239 E CB -0.988 28.746 29.700 0.057 0.000 1.106 239 E HN 0.460 8.820 8.360 -0.000 0.000 0.347 240 T N -2.627 111.987 114.554 0.100 0.000 2.900 240 T HA 0.146 4.498 4.350 0.003 0.000 0.307 240 T C 0.751 175.498 174.700 0.079 0.000 1.065 240 T CA -0.384 61.786 62.100 0.117 0.000 1.105 240 T CB 0.784 69.749 68.868 0.162 0.000 0.979 240 T HN 0.228 8.468 8.240 -0.000 0.000 0.544 241 F N 1.187 121.096 119.950 -0.068 0.000 2.187 241 F HA 0.281 4.810 4.527 0.003 0.000 0.295 241 F C 0.361 176.178 175.800 0.028 0.000 1.091 241 F CA 0.593 58.539 58.000 -0.090 0.000 1.308 241 F CB 0.243 39.107 39.000 -0.226 0.000 1.030 241 F HN 0.863 9.163 8.300 -0.000 0.000 0.487 242 W N -0.604 120.691 121.300 -0.008 0.000 3.248 242 W HA 0.418 5.080 4.660 0.003 0.000 0.311 242 W C -2.036 174.542 176.519 0.099 0.000 1.258 242 W CA -2.070 55.223 57.345 -0.088 0.000 1.191 242 W CB -0.463 28.959 29.460 -0.064 0.000 1.389 242 W HN -0.142 8.038 8.180 -0.000 0.000 0.561 243 H N 1.839 121.223 119.070 0.524 0.000 2.581 243 H HA 0.347 4.904 4.556 0.003 0.000 0.308 243 H C -0.763 174.814 175.328 0.415 0.000 1.040 243 H CA -0.777 55.597 56.048 0.544 0.000 1.231 243 H CB 2.017 32.120 29.762 0.570 0.000 1.396 243 H HN 0.538 8.818 8.280 -0.000 0.000 0.467 244 E N 3.334 123.879 120.200 0.574 0.000 2.175 244 E HA 0.037 4.389 4.350 0.003 0.000 0.278 244 E C -0.581 176.173 176.600 0.257 0.000 0.969 244 E CA -0.817 55.752 56.400 0.280 0.000 0.796 244 E CB 0.629 30.526 29.700 0.329 0.000 1.104 244 E HN 0.615 8.975 8.360 -0.000 0.000 0.395 245 D N 4.838 125.291 120.400 0.088 0.000 2.755 245 D HA -0.157 4.485 4.640 0.003 0.000 0.227 245 D C -1.809 174.521 176.300 0.051 0.000 1.211 245 D CA 0.328 54.352 54.000 0.041 0.000 0.663 245 D CB -0.404 40.425 40.800 0.047 0.000 0.983 245 D HN 0.469 8.839 8.370 -0.000 0.000 0.407 246 P HA -0.023 4.397 4.420 -0.000 0.000 0.227 246 P C 1.033 178.088 177.300 -0.408 0.000 1.161 246 P CA 0.708 63.513 63.100 -0.491 0.000 0.788 246 P CB 0.236 31.202 31.700 -1.224 0.000 0.822 247 I N -4.783 115.605 120.570 -0.304 0.000 3.108 247 I HA 0.632 4.803 4.170 0.003 0.000 0.312 247 I C 0.409 176.464 176.117 -0.104 0.000 1.095 247 I CA -1.949 59.256 61.300 -0.159 0.000 1.000 247 I CB 2.030 39.943 38.000 -0.145 0.000 1.229 247 I HN -0.359 7.851 8.210 -0.000 0.000 0.454 251 S N 0.579 116.249 115.700 -0.051 0.000 2.442 251 S HA 0.532 5.004 4.470 0.003 0.000 0.297 251 S C 0.349 174.925 174.600 -0.040 0.000 1.131 251 S CA -0.709 57.466 58.200 -0.041 0.000 1.092 251 S CB 1.894 65.078 63.200 -0.027 0.000 0.998 251 S HN 0.203 8.514 8.310 -0.000 0.000 0.478 252 L N 2.940 124.137 121.223 -0.044 0.000 2.375 252 L HA 0.215 4.557 4.340 0.003 0.000 0.215 252 L C 2.434 179.287 176.870 -0.029 0.000 1.108 252 L CA 0.992 55.801 54.840 -0.050 0.000 0.830 252 L CB -1.501 40.516 42.059 -0.070 0.000 0.959 252 L HN 0.848 9.078 8.230 -0.000 0.000 0.457 253 S N -0.714 114.976 115.700 -0.017 0.000 2.428 253 S HA -0.216 4.256 4.470 0.003 0.000 0.240 253 S C 2.053 176.655 174.600 0.004 0.000 1.036 253 S CA 1.584 59.782 58.200 -0.003 0.000 1.009 253 S CB -0.089 63.112 63.200 0.001 0.000 0.803 253 S HN 0.444 8.754 8.310 -0.000 0.000 0.486 254 S N 0.410 116.110 115.700 0.001 0.000 2.561 254 S HA 0.142 4.613 4.470 0.003 0.000 0.225 254 S C 1.377 175.992 174.600 0.025 0.000 0.977 254 S CA 0.078 58.285 58.200 0.012 0.000 0.926 254 S CB -0.046 63.159 63.200 0.007 0.000 0.769 254 S HN 0.323 8.633 8.310 -0.000 0.000 0.533 255 L N 1.592 122.825 121.223 0.018 0.000 2.209 255 L HA 0.216 4.558 4.340 0.003 0.000 0.207 255 L C 2.088 179.004 176.870 0.076 0.000 1.094 255 L CA 1.524 56.386 54.840 0.037 0.000 0.790 255 L CB -0.340 41.720 42.059 0.002 0.000 0.932 255 L HN -0.012 8.218 8.230 -0.000 0.000 0.447 256 K N -0.133 120.296 120.400 0.048 0.000 2.148 256 K HA -0.117 4.205 4.320 0.003 0.000 0.204 256 K C 2.176 178.800 176.600 0.040 0.000 1.050 256 K CA 0.956 57.269 56.287 0.044 0.000 0.942 256 K CB 0.023 32.541 32.500 0.030 0.000 0.724 256 K HN 0.360 8.610 8.250 -0.000 0.000 0.446 257 R N -0.853 119.673 120.500 0.043 0.000 2.091 257 R HA -0.187 4.155 4.340 0.003 0.000 0.238 257 R C 2.289 178.607 176.300 0.030 0.000 1.136 257 R CA 1.685 57.803 56.100 0.030 0.000 0.959 257 R CB -0.478 29.842 30.300 0.033 0.000 0.856 257 R HN 0.249 8.519 8.270 -0.000 0.000 0.437 258 Y N 1.161 121.442 120.300 -0.033 0.000 2.114 258 Y HA -0.219 4.333 4.550 0.003 0.000 0.284 258 Y C 2.367 178.251 175.900 -0.026 0.000 1.143 258 Y CA 1.486 59.559 58.100 -0.044 0.000 1.135 258 Y CB -0.383 38.041 38.460 -0.060 0.000 0.980 258 Y HN 0.059 8.339 8.280 -0.000 0.000 0.499 259 A N 0.264 123.153 122.820 0.114 0.000 1.908 259 A HA -0.268 4.054 4.320 0.003 0.000 0.218 259 A C 2.053 179.602 177.584 -0.059 0.000 1.181 259 A CA 2.056 54.124 52.037 0.051 0.000 0.627 259 A CB -0.914 18.133 19.000 0.079 0.000 0.818 259 A HN 0.645 8.795 8.150 -0.000 0.000 0.445 260 E N -1.025 119.142 120.200 -0.055 0.000 2.147 260 E HA -0.218 4.134 4.350 0.003 0.000 0.199 260 E C 2.022 178.556 176.600 -0.110 0.000 1.005 260 E CA 1.439 57.799 56.400 -0.066 0.000 0.810 260 E CB -0.092 29.579 29.700 -0.048 0.000 0.736 260 E HN 0.521 8.881 8.360 -0.000 0.000 0.460 261 R N -0.391 119.998 120.500 -0.186 0.000 2.334 261 R HA 0.153 4.495 4.340 0.003 0.000 0.216 261 R C -0.047 176.095 176.300 -0.264 0.000 0.905 261 R CA -0.104 55.868 56.100 -0.214 0.000 1.064 261 R CB 0.852 31.016 30.300 -0.227 0.000 1.046 261 R HN -0.143 8.127 8.270 -0.000 0.000 0.508 262 S N 0.274 115.803 115.700 -0.284 0.000 2.456 262 S HA 0.190 4.662 4.470 0.003 0.000 0.316 262 S C 0.934 175.469 174.600 -0.109 0.000 1.089 262 S CA -0.725 57.346 58.200 -0.215 0.000 1.101 262 S CB 0.991 64.033 63.200 -0.264 0.000 0.995 262 S HN 0.222 8.532 8.310 -0.000 0.000 0.468 263 L N 4.445 125.622 121.223 -0.076 0.000 1.994 263 L HA 0.129 4.471 4.340 0.003 0.000 0.208 263 L C 1.348 178.144 176.870 -0.124 0.000 1.071 263 L CA 1.447 56.240 54.840 -0.079 0.000 0.745 263 L CB -0.954 41.072 42.059 -0.054 0.000 0.892 263 L HN 0.836 9.066 8.230 -0.000 0.000 0.431 264 A N 1.435 124.120 122.820 -0.224 0.000 2.511 264 A HA 0.279 4.601 4.320 0.003 0.000 0.242 264 A C -2.156 175.289 177.584 -0.232 0.000 1.069 264 A CA -1.022 50.802 52.037 -0.354 0.000 0.763 264 A CB -0.525 17.997 19.000 -0.797 0.000 1.001 264 A HN 0.207 8.357 8.150 -0.000 0.000 0.498 265 P HA 0.185 4.605 4.420 -0.000 0.000 0.271 265 P C 0.094 177.403 177.300 0.016 0.000 1.218 265 P CA -0.054 63.009 63.100 -0.061 0.000 0.780 265 P CB 0.874 32.520 31.700 -0.091 0.000 0.901 266 V N 2.933 122.884 119.914 0.062 0.000 2.555 266 V HA 0.193 4.315 4.120 0.003 0.000 0.286 266 V C -0.343 175.707 176.094 -0.074 0.000 1.044 266 V CA -0.359 61.989 62.300 0.080 0.000 1.026 266 V CB 0.177 32.081 31.823 0.134 0.000 0.981 266 V HN 0.758 8.948 8.190 -0.000 0.000 0.480 267 C N 6.903 126.097 119.300 -0.176 0.000 2.281 267 C HA 0.936 5.398 4.460 0.003 0.000 0.325 267 C C 0.271 175.114 174.990 -0.246 0.000 1.282 267 C CA 0.399 59.150 59.018 -0.444 0.000 1.640 267 C CB -0.446 26.563 27.740 -1.218 0.000 2.288 267 C HN 1.583 9.813 8.230 -0.000 0.000 0.507 268 A N 4.332 127.047 122.820 -0.174 0.000 2.574 268 A HA 0.838 5.159 4.320 0.003 0.000 0.297 268 A C -0.921 176.681 177.584 0.031 0.000 1.062 268 A CA -0.271 51.718 52.037 -0.079 0.000 0.686 268 A CB 1.728 20.680 19.000 -0.079 0.000 1.285 268 A HN 1.138 9.288 8.150 -0.000 0.000 0.403 269 S N -0.150 115.606 115.700 0.094 0.000 2.546 269 S HA 0.398 4.870 4.470 0.003 0.000 0.272 269 S C 0.695 175.375 174.600 0.135 0.000 1.140 269 S CA 0.248 58.463 58.200 0.025 0.000 0.920 269 S CB 1.255 64.416 63.200 -0.064 0.000 1.083 269 S HN 0.935 9.245 8.310 -0.000 0.000 0.476 270 E N 2.017 122.283 120.200 0.110 0.000 2.265 270 E HA -0.141 4.211 4.350 0.003 0.000 0.196 270 E C 1.317 178.137 176.600 0.366 0.000 0.996 270 E CA 1.751 58.288 56.400 0.228 0.000 0.832 270 E CB -0.563 29.174 29.700 0.062 0.000 0.756 270 E HN 0.696 9.056 8.360 -0.000 0.000 0.491 271 T N -0.773 113.878 114.554 0.162 0.000 3.055 271 T HA 0.085 4.436 4.350 0.003 0.000 0.265 271 T C 0.967 175.685 174.700 0.029 0.000 1.111 271 T CA -0.001 62.135 62.100 0.060 0.000 1.118 271 T CB -0.218 68.630 68.868 -0.034 0.000 0.909 271 T HN 0.026 8.266 8.240 -0.000 0.000 0.501 272 L N 1.748 122.969 121.223 -0.004 0.000 2.350 272 L HA 0.669 5.010 4.340 0.003 0.000 0.275 272 L C 0.267 177.175 176.870 0.065 0.000 1.099 272 L CA -0.937 53.810 54.840 -0.154 0.000 0.808 272 L CB 1.110 42.792 42.059 -0.628 0.000 1.149 272 L HN 0.250 8.480 8.230 -0.000 0.000 0.442 273 A N 1.918 124.786 122.820 0.079 0.000 2.365 273 A HA 0.799 5.121 4.320 0.003 0.000 0.318 273 A C -0.096 177.682 177.584 0.324 0.000 1.091 273 A CA 0.124 52.311 52.037 0.250 0.000 0.763 273 A CB 1.408 20.521 19.000 0.188 0.000 1.248 273 A HN 0.903 9.053 8.150 -0.000 0.000 0.442 274 T N -0.568 114.234 114.554 0.413 0.000 0.541 274 T HA -0.209 4.143 4.350 0.003 0.000 0.774 274 T C 0.712 175.664 174.700 0.421 0.000 0.992 274 T CA 1.076 63.435 62.100 0.431 0.000 4.077 274 T CB -0.809 68.398 68.868 0.565 0.000 2.303 274 T HN 0.962 9.202 8.240 -0.000 0.000 0.398 275 R N -0.114 120.507 120.500 0.202 0.000 2.105 275 R HA -0.043 4.299 4.340 0.003 0.000 0.239 275 R C 2.447 178.686 176.300 -0.101 0.000 1.135 275 R CA 2.480 58.520 56.100 -0.099 0.000 0.967 275 R CB -0.315 29.668 30.300 -0.528 0.000 0.861 275 R HN 0.710 8.980 8.270 -0.000 0.000 0.442 276 W N -0.285 121.076 121.300 0.102 0.000 2.358 276 W HA -0.028 4.633 4.660 0.002 0.000 0.303 276 W C 2.225 178.756 176.519 0.020 0.000 1.208 276 W CA 1.217 58.599 57.345 0.061 0.000 1.274 276 W CB -0.808 28.695 29.460 0.071 0.000 1.138 276 W HN 0.287 8.467 8.180 -0.000 0.000 0.515 277 G N -0.337 108.602 108.800 0.233 0.000 2.432 277 G HA2 -0.251 3.710 3.960 0.003 0.000 0.219 277 G HA3 -0.251 3.710 3.960 0.003 0.000 0.219 277 G C 1.278 176.032 174.900 -0.244 0.000 1.135 277 G CA 0.584 45.660 45.100 -0.039 0.000 0.767 277 G HN 0.151 8.441 8.290 -0.000 0.000 0.550 278 F N 0.382 120.312 119.950 -0.033 0.000 2.473 278 F HA 0.174 4.703 4.527 0.003 0.000 0.294 278 F C 2.606 178.272 175.800 -0.224 0.000 1.103 278 F CA 0.727 58.651 58.000 -0.126 0.000 1.442 278 F CB -0.055 38.868 39.000 -0.129 0.000 1.097 278 F HN 0.060 8.360 8.300 -0.000 0.000 0.547 279 R N 0.978 121.433 120.500 -0.075 0.000 2.096 279 R HA -0.200 4.141 4.340 0.003 0.000 0.240 279 R C 1.557 177.775 176.300 -0.138 0.000 1.139 279 R CA 2.438 58.437 56.100 -0.170 0.000 0.952 279 R CB -0.675 29.548 30.300 -0.129 0.000 0.854 279 R HN 0.085 8.355 8.270 -0.000 0.000 0.436 280 D N 0.320 120.671 120.400 -0.081 0.000 2.117 280 D HA -0.151 4.491 4.640 0.003 0.000 0.197 280 D C 1.837 178.072 176.300 -0.109 0.000 0.987 280 D CA 1.235 55.194 54.000 -0.069 0.000 0.829 280 D CB -0.272 40.498 40.800 -0.049 0.000 0.961 280 D HN 0.249 8.619 8.370 -0.000 0.000 0.460 281 L N 0.326 121.452 121.223 -0.161 0.000 2.056 281 L HA -0.063 4.279 4.340 0.003 0.000 0.207 281 L C 2.031 178.803 176.870 -0.164 0.000 1.078 281 L CA 1.379 56.123 54.840 -0.161 0.000 0.749 281 L CB -0.405 41.532 42.059 -0.203 0.000 0.901 281 L HN 0.012 8.242 8.230 -0.000 0.000 0.433 282 L N -0.800 120.260 121.223 -0.271 0.000 2.141 282 L HA -0.152 4.189 4.340 0.003 0.000 0.209 282 L C 2.423 179.128 176.870 -0.275 0.000 1.094 282 L CA 1.050 55.596 54.840 -0.490 0.000 0.763 282 L CB -0.495 40.885 42.059 -1.130 0.000 0.908 282 L HN 0.341 8.571 8.230 -0.000 0.000 0.437 283 E N -0.388 119.728 120.200 -0.140 0.000 2.204 283 E HA -0.204 4.148 4.350 0.003 0.000 0.195 283 E C 2.084 178.703 176.600 0.033 0.000 0.990 283 E CA 1.648 58.057 56.400 0.014 0.000 0.821 283 E CB -0.033 29.677 29.700 0.016 0.000 0.750 283 E HN 0.576 8.936 8.360 -0.000 0.000 0.477 284 T N -0.936 113.615 114.554 -0.005 0.000 2.962 284 T HA -0.149 4.202 4.350 0.003 0.000 0.270 284 T C 0.903 175.626 174.700 0.039 0.000 1.088 284 T CA 0.700 62.807 62.100 0.012 0.000 1.127 284 T CB -0.158 68.705 68.868 -0.009 0.000 0.883 284 T HN 0.071 8.311 8.240 -0.000 0.000 0.493 285 N N 0.925 119.661 118.700 0.059 0.000 2.721 285 N HA -0.187 4.554 4.740 0.003 0.000 0.249 285 N C 0.584 176.130 175.510 0.060 0.000 1.072 285 N CA 0.799 53.903 53.050 0.090 0.000 0.710 285 N CB -1.358 37.195 38.487 0.109 0.000 0.993 285 N HN 0.774 9.154 8.380 -0.000 0.000 0.547 286 A N -1.254 121.589 122.820 0.038 0.000 2.141 286 A HA 0.553 4.874 4.320 0.003 0.000 0.201 286 A C 0.965 178.568 177.584 0.032 0.000 1.344 286 A CA 0.898 52.958 52.037 0.038 0.000 0.971 286 A CB 0.436 19.458 19.000 0.037 0.000 1.035 286 A HN 0.464 8.614 8.150 -0.000 0.000 0.480 287 A N -0.217 122.609 122.820 0.010 0.000 2.354 287 A HA 0.542 4.864 4.320 0.003 0.000 0.269 287 A C 1.216 178.800 177.584 0.001 0.000 1.109 287 A CA 0.240 52.273 52.037 -0.007 0.000 0.800 287 A CB 0.510 19.493 19.000 -0.029 0.000 1.045 287 A HN 0.675 8.825 8.150 -0.000 0.000 0.489 288 G N 0.849 109.635 108.800 -0.023 0.000 2.651 288 G HA2 0.381 4.343 3.960 0.003 0.000 0.207 288 G HA3 0.381 4.343 3.960 0.003 0.000 0.207 288 G C 0.113 174.981 174.900 -0.053 0.000 1.131 288 G CA 0.236 45.319 45.100 -0.028 0.000 0.816 288 G HN 0.548 8.838 8.290 -0.000 0.000 0.534 289 I N 1.051 121.548 120.570 -0.121 0.000 2.436 289 I HA 0.393 4.564 4.170 0.003 0.000 0.289 289 I C -0.035 175.978 176.117 -0.174 0.000 1.010 289 I CA -0.635 60.561 61.300 -0.174 0.000 1.098 289 I CB 2.411 40.206 38.000 -0.342 0.000 1.266 289 I HN -0.196 8.014 8.210 -0.000 0.000 0.434 293 D N 4.913 125.379 120.400 0.110 0.000 2.381 293 D HA 0.258 4.900 4.640 0.003 0.000 0.235 293 D C 1.360 177.648 176.300 -0.020 0.000 1.068 293 D CA -0.460 53.528 54.000 -0.020 0.000 0.832 293 D CB 1.407 42.070 40.800 -0.228 0.000 1.101 293 D HN 0.647 9.017 8.370 -0.000 0.000 0.515 294 I N 2.371 122.905 120.570 -0.061 0.000 2.567 294 I HA -0.159 4.013 4.170 0.003 0.000 0.257 294 I C 1.229 177.361 176.117 0.024 0.000 1.184 294 I CA 1.230 62.522 61.300 -0.013 0.000 1.451 294 I CB -0.922 37.059 38.000 -0.032 0.000 1.089 294 I HN 0.208 8.418 8.210 -0.000 0.000 0.441 295 S N -1.348 114.316 115.700 -0.061 0.000 2.558 295 S HA 0.021 4.493 4.470 0.003 0.000 0.217 295 S C 1.279 176.041 174.600 0.270 0.000 0.975 295 S CA -0.313 57.910 58.200 0.038 0.000 0.912 295 S CB -0.472 62.704 63.200 -0.040 0.000 0.776 295 S HN 0.653 8.963 8.310 -0.000 0.000 0.526 296 W N 0.891 122.284 121.300 0.155 0.000 2.868 296 W HA 0.391 5.053 4.660 0.003 0.000 0.320 296 W C 1.937 178.544 176.519 0.147 0.000 1.076 296 W CA -0.864 56.571 57.345 0.151 0.000 1.576 296 W CB -0.824 28.736 29.460 0.167 0.000 1.030 296 W HN 0.563 8.743 8.180 -0.000 0.000 0.558 297 C N -1.151 118.355 119.300 0.343 0.000 3.070 297 C HA 0.711 5.172 4.460 0.003 0.000 0.280 297 C C 1.661 176.808 174.990 0.262 0.000 1.264 297 C CA 0.576 59.780 59.018 0.310 0.000 1.690 297 C CB -0.253 27.665 27.740 0.298 0.000 2.049 297 C HN 0.441 8.671 8.230 -0.000 0.000 0.636 298 G N -0.287 108.654 108.800 0.234 0.000 2.164 298 G HA2 0.438 4.400 3.960 0.003 0.000 0.154 298 G HA3 0.438 4.400 3.960 0.003 0.000 0.154 298 G C 0.704 175.732 174.900 0.213 0.000 1.014 298 G CA 0.269 45.505 45.100 0.227 0.000 0.683 298 G HN 2.374 10.664 8.290 -0.000 0.000 0.500 299 G N -1.261 107.650 108.800 0.186 0.000 2.631 299 G HA2 0.028 3.989 3.960 0.003 0.000 0.504 299 G HA3 0.028 3.989 3.960 0.003 0.000 0.504 299 G C 0.781 175.753 174.900 0.120 0.000 1.306 299 G CA -0.062 45.147 45.100 0.181 0.000 0.897 299 G HN 1.040 9.330 8.290 -0.000 0.000 0.520 300 L N 0.321 121.594 121.223 0.083 0.000 2.083 300 L HA -0.061 4.280 4.340 0.003 0.000 0.209 300 L C 3.191 180.034 176.870 -0.046 0.000 1.083 300 L CA 2.005 56.761 54.840 -0.140 0.000 0.752 300 L CB -0.619 41.094 42.059 -0.576 0.000 0.899 300 L HN 0.649 8.879 8.230 -0.000 0.000 0.433 301 S N -0.403 115.473 115.700 0.293 0.000 2.378 301 S HA -0.239 4.233 4.470 0.003 0.000 0.229 301 S C 1.912 176.623 174.600 0.185 0.000 1.052 301 S CA 1.638 60.053 58.200 0.358 0.000 1.084 301 S CB -0.189 63.253 63.200 0.403 0.000 0.950 301 S HN 0.433 8.743 8.310 -0.000 0.000 0.440 302 E N 0.822 121.118 120.200 0.159 0.000 2.076 302 E HA 0.061 4.413 4.350 0.003 0.000 0.190 302 E C 2.384 178.993 176.600 0.014 0.000 0.979 302 E CA 0.959 57.426 56.400 0.113 0.000 0.807 302 E CB -0.522 29.282 29.700 0.174 0.000 0.761 302 E HN 0.477 8.837 8.360 -0.000 0.000 0.454 303 A N 1.456 124.268 122.820 -0.013 0.000 1.972 303 A HA -0.190 4.132 4.320 0.003 0.000 0.219 303 A C 2.155 179.668 177.584 -0.119 0.000 1.169 303 A CA 1.317 53.295 52.037 -0.098 0.000 0.635 303 A CB -0.445 18.503 19.000 -0.087 0.000 0.810 303 A HN 0.092 8.242 8.150 -0.000 0.000 0.446 304 R N -0.301 120.137 120.500 -0.104 0.000 2.133 304 R HA -0.208 4.134 4.340 0.003 0.000 0.245 304 R C 2.085 178.342 176.300 -0.072 0.000 1.137 304 R CA 2.384 58.426 56.100 -0.097 0.000 0.947 304 R CB -0.222 30.044 30.300 -0.056 0.000 0.865 304 R HN 0.548 8.818 8.270 -0.000 0.000 0.437 305 K N -0.586 119.779 120.400 -0.059 0.000 2.202 305 K HA 0.095 4.416 4.320 0.003 0.000 0.201 305 K C 2.045 178.586 176.600 -0.098 0.000 1.051 305 K CA 0.584 56.839 56.287 -0.053 0.000 0.977 305 K CB 0.130 32.610 32.500 -0.032 0.000 0.792 305 K HN 0.074 8.324 8.250 -0.000 0.000 0.469 306 I N 1.627 122.106 120.570 -0.151 0.000 2.163 306 I HA -0.319 3.852 4.170 0.003 0.000 0.243 306 I C 2.504 178.484 176.117 -0.228 0.000 1.085 306 I CA 1.387 62.533 61.300 -0.257 0.000 1.347 306 I CB -0.384 37.320 38.000 -0.494 0.000 1.044 306 I HN 0.135 8.345 8.210 -0.000 0.000 0.408 307 A N 0.493 123.202 122.820 -0.186 0.000 1.908 307 A HA -0.149 4.173 4.320 0.003 0.000 0.218 307 A C 1.761 179.302 177.584 -0.071 0.000 1.181 307 A CA 1.671 53.631 52.037 -0.129 0.000 0.627 307 A CB -0.884 18.053 19.000 -0.105 0.000 0.818 307 A HN 0.540 8.690 8.150 -0.000 0.000 0.445 311 E N 0.790 121.027 120.200 0.062 0.000 2.110 311 E HA -0.103 4.249 4.350 0.003 0.000 0.193 311 E C 1.968 178.552 176.600 -0.027 0.000 0.988 311 E CA 1.259 57.676 56.400 0.029 0.000 0.804 311 E CB -0.126 29.580 29.700 0.010 0.000 0.745 311 E HN 0.675 9.035 8.360 -0.000 0.000 0.458 312 A N 0.360 123.197 122.820 0.028 0.000 2.125 312 A HA -0.146 4.176 4.320 0.003 0.000 0.219 312 A C 1.488 178.895 177.584 -0.295 0.000 1.156 312 A CA 0.656 52.621 52.037 -0.121 0.000 0.671 312 A CB -0.621 18.355 19.000 -0.040 0.000 0.794 312 A HN 0.509 8.659 8.150 -0.000 0.000 0.459 313 W N -1.320 119.841 121.300 -0.232 0.000 3.239 313 W HA 0.238 4.899 4.660 0.002 0.000 0.368 313 W C 0.108 176.583 176.519 -0.073 0.000 1.154 313 W CA 0.225 57.479 57.345 -0.152 0.000 1.860 313 W CB -0.150 29.284 29.460 -0.044 0.000 1.094 313 W HN 0.749 8.929 8.180 -0.000 0.000 0.643 314 H N -0.827 118.331 119.070 0.148 0.000 2.903 314 H HA -0.160 4.397 4.556 0.003 0.000 0.285 314 H C -0.172 175.205 175.328 0.083 0.000 1.231 314 H CA 0.576 56.672 56.048 0.080 0.000 1.135 314 H CB -1.945 27.842 29.762 0.042 0.000 1.328 314 H HN 0.009 8.289 8.280 -0.000 0.000 0.388 315 L N 1.242 122.560 121.223 0.159 0.000 2.334 315 L HA 0.523 4.865 4.340 0.003 0.000 0.276 315 L C -2.053 174.853 176.870 0.059 0.000 1.014 315 L CA -2.061 52.840 54.840 0.102 0.000 0.815 315 L CB 1.653 43.762 42.059 0.084 0.000 1.268 315 L HN -0.132 8.098 8.230 -0.000 0.000 0.428 316 P HA 0.186 4.606 4.420 -0.000 0.000 0.284 316 P C -0.658 176.641 177.300 -0.002 0.000 1.253 316 P CA -0.365 62.756 63.100 0.036 0.000 0.800 316 P CB 1.598 33.340 31.700 0.071 0.000 0.961 317 V N 2.450 122.357 119.914 -0.011 0.000 2.509 317 V HA 0.500 4.622 4.120 0.003 0.000 0.284 317 V C 0.604 176.703 176.094 0.008 0.000 1.047 317 V CA -0.275 62.001 62.300 -0.040 0.000 0.952 317 V CB 0.874 32.651 31.823 -0.076 0.000 0.988 317 V HN 0.740 8.930 8.190 -0.000 0.000 0.469 318 A N 7.350 130.171 122.820 0.002 0.000 2.360 318 A HA 0.777 5.099 4.320 0.003 0.000 0.309 318 A C -2.729 174.915 177.584 0.099 0.000 1.311 318 A CA -1.642 50.458 52.037 0.105 0.000 0.805 318 A CB 0.772 19.884 19.000 0.186 0.000 1.144 318 A HN 0.645 8.795 8.150 -0.000 0.000 0.486 319 P HA 0.067 4.487 4.420 -0.000 0.000 0.271 319 P C -0.315 177.054 177.300 0.115 0.000 1.216 319 P CA 0.236 63.371 63.100 0.058 0.000 0.771 319 P CB 0.270 31.972 31.700 0.003 0.000 0.864 320 H N 2.374 121.429 119.070 -0.025 0.000 2.646 320 H HA 0.084 4.641 4.556 0.003 0.000 0.325 320 H C -0.057 175.185 175.328 -0.144 0.000 1.075 320 H CA 0.102 56.118 56.048 -0.053 0.000 1.421 320 H CB 0.999 30.703 29.762 -0.097 0.000 1.461 320 H HN 0.442 8.722 8.280 -0.000 0.000 0.525 321 D N 1.982 122.078 120.400 -0.507 0.000 3.059 321 D HA -0.046 4.595 4.640 0.003 0.000 0.231 321 D C 0.814 176.600 176.300 -0.856 0.000 1.331 321 D CA 0.747 54.398 54.000 -0.581 0.000 1.288 321 D CB -0.313 40.317 40.800 -0.283 0.000 0.922 321 D HN 0.669 9.039 8.370 -0.000 0.000 0.197 322 C N 0.846 119.842 119.300 -0.507 0.000 4.104 322 C HA -0.164 4.298 4.460 0.003 0.000 0.295 322 C C 1.067 175.925 174.990 -0.220 0.000 1.491 322 C CA 1.743 60.531 59.018 -0.384 0.000 2.053 322 C CB -2.690 24.892 27.740 -0.264 0.000 1.287 322 C HN 0.682 8.912 8.230 -0.000 0.000 0.771 323 T N -2.509 111.901 114.554 -0.241 0.000 2.442 323 T HA 0.640 4.991 4.350 0.003 0.000 0.196 323 T C 0.810 175.453 174.700 -0.095 0.000 0.744 323 T CA 0.442 62.211 62.100 -0.552 0.000 1.320 323 T CB 0.290 68.620 68.868 -0.897 0.000 1.899 323 T HN 1.123 9.363 8.240 -0.000 0.000 0.464 324 G N 1.553 110.258 108.800 -0.159 0.000 2.562 324 G HA2 0.496 4.458 3.960 0.003 0.000 0.275 324 G HA3 0.496 4.458 3.960 0.003 0.000 0.275 324 G C -1.492 173.159 174.900 -0.415 0.000 1.196 324 G CA -1.317 43.731 45.100 -0.086 0.000 0.908 324 G HN 0.512 8.802 8.290 -0.000 0.000 0.524 325 P HA -0.076 4.344 4.420 -0.000 0.000 0.219 325 P C 1.854 178.954 177.300 -0.333 0.000 1.150 325 P CA 0.513 63.036 63.100 -0.961 0.000 0.814 325 P CB 0.208 31.365 31.700 -0.905 0.000 0.787 326 V N 0.077 119.927 119.914 -0.106 0.000 2.453 326 V HA -0.146 3.976 4.120 0.003 0.000 0.247 326 V C 2.817 178.898 176.094 -0.022 0.000 1.048 326 V CA 1.334 63.629 62.300 -0.009 0.000 1.049 326 V CB -1.010 30.884 31.823 0.119 0.000 0.672 326 V HN -0.068 8.122 8.190 -0.000 0.000 0.457 327 V N -0.144 119.742 119.914 -0.046 0.000 2.343 327 V HA -0.256 3.866 4.120 0.003 0.000 0.247 327 V C 2.355 178.390 176.094 -0.099 0.000 1.051 327 V CA 1.973 64.225 62.300 -0.081 0.000 1.036 327 V CB -0.449 31.290 31.823 -0.140 0.000 0.654 327 V HN 0.473 8.663 8.190 -0.000 0.000 0.451 328 L N -0.223 120.929 121.223 -0.119 0.000 2.131 328 L HA -0.185 4.156 4.340 0.003 0.000 0.210 328 L C 2.343 179.174 176.870 -0.064 0.000 1.092 328 L CA 2.365 57.151 54.840 -0.090 0.000 0.759 328 L CB -0.643 41.396 42.059 -0.034 0.000 0.903 328 L HN 0.448 8.678 8.230 -0.000 0.000 0.435 329 T N -0.236 114.291 114.554 -0.045 0.000 2.809 329 T HA 0.001 4.353 4.350 0.003 0.000 0.260 329 T C 1.941 176.720 174.700 0.132 0.000 1.039 329 T CA 1.018 63.128 62.100 0.018 0.000 1.141 329 T CB -0.183 68.702 68.868 0.029 0.000 0.869 329 T HN 0.476 8.716 8.240 -0.000 0.000 0.437 330 A N 1.685 124.561 122.820 0.094 0.000 1.933 330 A HA -0.086 4.235 4.320 0.003 0.000 0.218 330 A C 2.554 180.167 177.584 0.048 0.000 1.175 330 A CA 1.876 53.963 52.037 0.083 0.000 0.628 330 A CB -0.825 18.181 19.000 0.010 0.000 0.814 330 A HN 0.442 8.592 8.150 -0.000 0.000 0.444 331 S N -0.393 115.304 115.700 -0.005 0.000 2.383 331 S HA -0.115 4.357 4.470 0.003 0.000 0.227 331 S C 1.971 176.557 174.600 -0.023 0.000 1.026 331 S CA 1.707 59.889 58.200 -0.031 0.000 0.981 331 S CB -0.509 62.654 63.200 -0.062 0.000 0.818 331 S HN 0.689 8.999 8.310 -0.000 0.000 0.472 332 T N 1.485 116.020 114.554 -0.031 0.000 2.821 332 T HA -0.068 4.284 4.350 0.003 0.000 0.267 332 T C 1.580 176.227 174.700 -0.088 0.000 1.046 332 T CA 0.960 63.011 62.100 -0.083 0.000 1.139 332 T CB -0.387 68.402 68.868 -0.132 0.000 0.871 332 T HN 0.461 8.701 8.240 -0.000 0.000 0.454 333 H N 0.651 119.713 119.070 -0.014 0.000 2.321 333 H HA -0.093 4.464 4.556 0.003 0.000 0.295 333 H C 2.371 177.691 175.328 -0.012 0.000 1.102 333 H CA 1.667 57.737 56.048 0.036 0.000 1.266 333 H CB -0.555 29.221 29.762 0.023 0.000 1.363 333 H HN 0.203 8.483 8.280 -0.000 0.000 0.492 334 L N 0.641 121.899 121.223 0.057 0.000 2.046 334 L HA -0.109 4.233 4.340 0.003 0.000 0.208 334 L C 2.358 179.212 176.870 -0.027 0.000 1.077 334 L CA 1.513 56.339 54.840 -0.023 0.000 0.747 334 L CB -0.509 41.511 42.059 -0.064 0.000 0.896 334 L HN -0.023 8.207 8.230 -0.000 0.000 0.432 335 S N -0.678 115.003 115.700 -0.031 0.000 2.447 335 S HA -0.059 4.413 4.470 0.003 0.000 0.233 335 S C 1.742 176.309 174.600 -0.056 0.000 1.006 335 S CA 1.041 59.218 58.200 -0.038 0.000 0.957 335 S CB -0.257 62.919 63.200 -0.040 0.000 0.773 335 S HN 0.305 8.615 8.310 -0.000 0.000 0.507 336 L N 1.724 122.898 121.223 -0.081 0.000 2.162 336 L HA 0.135 4.477 4.340 0.003 0.000 0.205 336 L C 2.038 178.855 176.870 -0.087 0.000 1.086 336 L CA 1.167 55.924 54.840 -0.139 0.000 0.778 336 L CB -0.830 41.054 42.059 -0.291 0.000 0.928 336 L HN 0.278 8.508 8.230 -0.000 0.000 0.446 337 N N 0.289 118.977 118.700 -0.019 0.000 2.135 337 N HA -0.030 4.711 4.740 0.003 0.000 0.186 337 N C 0.857 176.362 175.510 -0.009 0.000 1.027 337 N CA 0.875 53.932 53.050 0.011 0.000 0.849 337 N CB -0.047 38.459 38.487 0.033 0.000 1.002 337 N HN 0.197 8.577 8.380 -0.000 0.000 0.425 338 A N 0.572 123.379 122.820 -0.020 0.000 2.491 338 A HA 0.229 4.551 4.320 0.003 0.000 0.261 338 A C -1.488 176.090 177.584 -0.010 0.000 1.101 338 A CA -1.078 50.947 52.037 -0.020 0.000 0.772 338 A CB 0.106 19.088 19.000 -0.031 0.000 1.043 338 A HN 0.353 8.503 8.150 -0.000 0.000 0.501 339 P HA -0.144 4.276 4.420 -0.000 0.000 0.219 339 P C 0.818 178.126 177.300 0.013 0.000 1.146 339 P CA 1.403 64.506 63.100 0.005 0.000 0.808 339 P CB 0.072 31.776 31.700 0.008 0.000 0.779 340 N N -0.912 117.795 118.700 0.011 0.000 2.268 340 N HA 0.110 4.851 4.740 0.003 0.000 0.204 340 N C 0.171 175.695 175.510 0.022 0.000 1.124 340 N CA -0.219 52.843 53.050 0.021 0.000 0.838 340 N CB -0.407 38.093 38.487 0.021 0.000 0.994 340 N HN -0.095 8.285 8.380 -0.000 0.000 0.489 341 A N 0.815 123.643 122.820 0.014 0.000 2.488 341 A HA 0.240 4.562 4.320 0.003 0.000 0.249 341 A C 0.931 178.545 177.584 0.050 0.000 1.083 341 A CA -0.405 51.645 52.037 0.023 0.000 0.768 341 A CB 0.279 19.281 19.000 0.004 0.000 1.017 341 A HN 0.397 8.547 8.150 -0.000 0.000 0.496 342 L N 2.775 124.049 121.223 0.086 0.000 2.379 342 L HA 0.279 4.621 4.340 0.003 0.000 0.190 342 L C 0.129 177.071 176.870 0.121 0.000 1.111 342 L CA 1.024 55.941 54.840 0.130 0.000 0.820 342 L CB 0.421 42.606 42.059 0.210 0.000 1.046 342 L HN 0.680 8.910 8.230 -0.000 0.000 0.485 343 V N -1.930 118.088 119.914 0.173 0.000 3.159 343 V HA 0.517 4.639 4.120 0.003 0.000 0.308 343 V C -1.142 175.069 176.094 0.194 0.000 1.190 343 V CA -0.860 61.546 62.300 0.177 0.000 1.037 343 V CB 1.693 33.690 31.823 0.289 0.000 1.060 343 V HN 0.229 8.419 8.190 -0.000 0.000 0.437 344 Q N 1.029 120.895 119.800 0.111 0.000 2.341 344 Q HA 0.387 4.729 4.340 0.003 0.000 0.268 344 Q C -0.317 175.634 176.000 -0.081 0.000 1.013 344 Q CA -0.217 55.608 55.803 0.037 0.000 0.798 344 Q CB 1.504 30.211 28.738 -0.052 0.000 1.253 344 Q HN 0.952 9.222 8.270 -0.000 0.000 0.457 345 E N 2.318 122.427 120.200 -0.150 0.000 2.529 345 E HA 0.200 4.552 4.350 0.003 0.000 0.259 345 E C -0.985 175.382 176.600 -0.390 0.000 0.966 345 E CA 0.338 56.373 56.400 -0.607 0.000 0.937 345 E CB 0.366 29.866 29.700 -0.333 0.000 0.923 345 E HN 0.683 9.043 8.360 -0.000 0.000 0.468 346 S N 2.048 117.497 115.700 -0.418 0.000 2.588 346 S HA 0.582 5.053 4.470 0.003 0.000 0.275 346 S C -1.117 173.364 174.600 -0.197 0.000 1.130 346 S CA -1.046 57.046 58.200 -0.180 0.000 0.855 346 S CB 1.851 65.023 63.200 -0.047 0.000 1.116 346 S HN 0.245 8.555 8.310 -0.000 0.000 0.472 347 V N 3.184 122.976 119.914 -0.203 0.000 2.407 347 V HA 0.438 4.560 4.120 0.003 0.000 0.291 347 V C 1.430 177.126 176.094 -0.663 0.000 1.018 347 V CA -0.887 61.137 62.300 -0.460 0.000 0.842 347 V CB 1.116 32.395 31.823 -0.907 0.000 0.996 347 V HN 1.064 9.254 8.190 -0.000 0.000 0.426 348 R N 4.373 124.400 120.500 -0.788 0.000 2.115 348 R HA -0.054 4.287 4.340 0.003 0.000 0.230 348 R C 1.777 177.536 176.300 -0.902 0.000 1.111 348 R CA 1.522 56.809 56.100 -1.355 0.000 0.976 348 R CB -0.290 29.344 30.300 -1.110 0.000 0.870 348 R HN 0.630 8.900 8.270 -0.000 0.000 0.445 349 A N 0.460 123.048 122.820 -0.387 0.000 2.125 349 A HA -0.047 4.275 4.320 0.003 0.000 0.219 349 A C 1.358 179.056 177.584 0.188 0.000 1.156 349 A CA 0.822 52.938 52.037 0.130 0.000 0.671 349 A CB -0.404 18.775 19.000 0.299 0.000 0.794 349 A HN 0.333 8.483 8.150 -0.000 0.000 0.459 350 F N -1.512 118.106 119.950 -0.552 0.000 2.315 350 F HA 0.081 4.610 4.527 0.003 0.000 0.284 350 F C 2.273 177.271 175.800 -1.338 0.000 1.049 350 F CA 0.369 57.715 58.000 -1.090 0.000 1.323 350 F CB -1.414 36.824 39.000 -1.271 0.000 1.113 350 F HN 0.481 8.781 8.300 -0.000 0.000 0.544 351 Y N -0.494 119.394 120.300 -0.687 0.000 2.395 351 Y HA 0.070 4.622 4.550 0.003 0.000 0.293 351 Y C 1.347 177.182 175.900 -0.107 0.000 1.123 351 Y CA 0.843 58.740 58.100 -0.339 0.000 1.227 351 Y CB -1.345 37.047 38.460 -0.113 0.000 1.012 351 Y HN -0.004 8.276 8.280 -0.000 0.000 0.552 352 D N 0.570 120.877 120.400 -0.156 0.000 2.348 352 D HA 0.117 4.759 4.640 0.003 0.000 0.211 352 D C 1.579 177.923 176.300 0.073 0.000 0.998 352 D CA 0.994 55.033 54.000 0.064 0.000 0.873 352 D CB 0.260 41.172 40.800 0.186 0.000 0.925 352 D HN 0.531 8.901 8.370 -0.000 0.000 0.524 353 G N 0.579 109.380 108.800 0.002 0.000 3.387 353 G HA2 0.008 3.969 3.960 0.003 0.000 0.195 353 G HA3 0.008 3.969 3.960 0.003 0.000 0.195 353 G C 0.961 175.921 174.900 0.100 0.000 1.853 353 G CA -0.134 45.026 45.100 0.101 0.000 0.879 353 G HN 0.254 8.544 8.290 -0.000 0.000 0.651 354 W N 0.108 121.439 121.300 0.051 0.000 2.825 354 W HA 0.145 4.807 4.660 0.003 0.000 0.243 354 W C 1.333 177.945 176.519 0.154 0.000 1.293 354 W CA 0.020 57.428 57.345 0.105 0.000 1.403 354 W CB -0.790 28.756 29.460 0.143 0.000 1.134 354 W HN 0.469 8.649 8.180 -0.000 0.000 0.666 355 Y N 1.392 121.431 120.300 -0.434 0.000 2.314 355 Y HA -0.068 4.484 4.550 0.003 0.000 0.293 355 Y C 2.803 178.656 175.900 -0.077 0.000 1.129 355 Y CA 0.720 58.599 58.100 -0.369 0.000 1.201 355 Y CB -0.168 38.074 38.460 -0.363 0.000 0.999 355 Y HN -0.147 8.133 8.280 -0.000 0.000 0.541 356 R N 0.419 121.011 120.500 0.152 0.000 2.115 356 R HA -0.138 4.204 4.340 0.003 0.000 0.230 356 R C 1.147 177.510 176.300 0.105 0.000 1.111 356 R CA 1.425 57.597 56.100 0.119 0.000 0.976 356 R CB -0.293 30.072 30.300 0.108 0.000 0.870 356 R HN 0.572 8.842 8.270 -0.000 0.000 0.445 357 D N 0.426 120.910 120.400 0.140 0.000 2.289 357 D HA -0.043 4.599 4.640 0.003 0.000 0.207 357 D C 1.819 178.187 176.300 0.113 0.000 0.966 357 D CA 0.740 54.818 54.000 0.130 0.000 0.868 357 D CB 0.223 41.125 40.800 0.170 0.000 0.943 357 D HN 0.256 8.626 8.370 -0.000 0.000 0.514 358 L N 0.561 121.855 121.223 0.118 0.000 2.408 358 L HA 0.111 4.452 4.340 0.003 0.000 0.215 358 L C 0.902 177.733 176.870 -0.064 0.000 1.081 358 L CA 0.147 55.035 54.840 0.080 0.000 0.840 358 L CB 0.209 42.391 42.059 0.205 0.000 1.002 358 L HN -0.122 8.108 8.230 -0.000 0.000 0.468 359 V N -5.362 114.522 119.914 -0.051 0.000 3.040 359 V HA 0.364 4.486 4.120 0.003 0.000 0.312 359 V C 1.065 177.129 176.094 -0.049 0.000 1.115 359 V CA -0.236 62.007 62.300 -0.095 0.000 0.998 359 V CB 1.256 33.003 31.823 -0.127 0.000 1.042 359 V HN 0.182 8.372 8.190 -0.000 0.000 0.433 360 T N -1.045 113.476 114.554 -0.055 0.000 2.962 360 T HA 0.447 4.798 4.350 0.003 0.000 0.270 360 T C 0.676 175.366 174.700 -0.017 0.000 1.088 360 T CA 1.061 63.143 62.100 -0.030 0.000 1.127 360 T CB -0.137 68.712 68.868 -0.032 0.000 0.883 360 T HN 1.874 10.114 8.240 -0.000 0.000 0.493 361 A N -0.087 122.720 122.820 -0.021 0.000 2.612 361 A HA 0.747 5.069 4.320 0.003 0.000 0.293 361 A C -1.621 175.954 177.584 -0.016 0.000 1.075 361 A CA -0.976 51.055 52.037 -0.011 0.000 0.680 361 A CB 1.159 20.155 19.000 -0.007 0.000 1.279 361 A HN 0.312 8.462 8.150 -0.000 0.000 0.411 362 L N 0.929 122.147 121.223 -0.008 0.000 2.371 362 L HA 0.517 4.859 4.340 0.003 0.000 0.262 362 L C -2.461 174.386 176.870 -0.038 0.000 1.006 362 L CA -2.316 52.517 54.840 -0.011 0.000 0.818 362 L CB 2.690 44.772 42.059 0.038 0.000 1.354 362 L HN 0.450 8.680 8.230 -0.000 0.000 0.415 363 P HA 0.005 4.425 4.420 -0.000 0.000 0.262 363 P C -0.947 176.254 177.300 -0.165 0.000 1.182 363 P CA 0.197 63.226 63.100 -0.119 0.000 0.761 363 P CB 0.307 31.922 31.700 -0.141 0.000 0.795 364 T N 2.848 117.312 114.554 -0.151 0.000 2.744 364 T HA 0.296 4.647 4.350 0.003 0.000 0.291 364 T C 0.073 174.654 174.700 -0.197 0.000 0.957 364 T CA -0.444 61.570 62.100 -0.145 0.000 1.002 364 T CB 0.464 69.281 68.868 -0.084 0.000 0.919 364 T HN -0.001 8.239 8.240 -0.000 0.000 0.468 365 V N 4.906 124.663 119.914 -0.261 0.000 2.350 365 V HA 0.489 4.611 4.120 0.003 0.000 0.276 365 V C 0.232 176.274 176.094 -0.087 0.000 1.028 365 V CA -0.469 61.688 62.300 -0.239 0.000 0.860 365 V CB 0.892 32.447 31.823 -0.447 0.000 0.990 365 V HN 0.724 8.914 8.190 -0.000 0.000 0.453 366 K N 3.156 123.529 120.400 -0.045 0.000 2.513 366 K HA 0.355 4.677 4.320 0.003 0.000 0.251 366 K C -0.950 175.660 176.600 0.017 0.000 0.939 366 K CA -0.591 55.691 56.287 -0.010 0.000 0.793 366 K CB 1.489 33.977 32.500 -0.020 0.000 1.241 366 K HN 0.685 8.935 8.250 -0.000 0.000 0.431 367 D N 2.620 123.033 120.400 0.022 0.000 2.723 367 D HA -0.172 4.469 4.640 0.003 0.000 0.236 367 D C 0.525 176.897 176.300 0.120 0.000 1.138 367 D CA 1.736 55.757 54.000 0.036 0.000 0.676 367 D CB -1.318 39.473 40.800 -0.015 0.000 1.069 367 D HN 1.088 9.458 8.370 -0.000 0.000 0.430 368 G N -0.214 108.638 108.800 0.087 0.000 2.179 368 G HA2 -0.324 3.638 3.960 0.003 0.000 0.257 368 G HA3 -0.324 3.638 3.960 0.003 0.000 0.257 368 G C 0.049 174.964 174.900 0.025 0.000 1.010 368 G CA 0.767 45.906 45.100 0.065 0.000 0.736 368 G HN 0.739 9.029 8.290 -0.000 0.000 0.513 369 H N -1.458 117.570 119.070 -0.070 0.000 2.851 369 H HA 0.636 5.194 4.556 0.003 0.000 0.372 369 H C -0.646 174.612 175.328 -0.116 0.000 1.158 369 H CA -0.512 55.487 56.048 -0.081 0.000 1.159 369 H CB 2.598 32.318 29.762 -0.069 0.000 1.757 369 H HN 0.243 8.523 8.280 -0.000 0.000 0.546 370 I N 1.291 121.831 120.570 -0.050 0.000 2.730 370 I HA 0.372 4.544 4.170 0.003 0.000 0.298 370 I C -0.748 175.300 176.117 -0.114 0.000 1.089 370 I CA -0.216 61.008 61.300 -0.127 0.000 1.041 370 I CB 2.399 40.281 38.000 -0.196 0.000 1.235 370 I HN 0.551 8.761 8.210 -0.000 0.000 0.423 371 T N 4.800 119.272 114.554 -0.137 0.000 2.812 371 T HA 0.536 4.888 4.350 0.003 0.000 0.294 371 T C -1.015 173.583 174.700 -0.168 0.000 1.159 371 T CA -0.414 61.595 62.100 -0.152 0.000 1.008 371 T CB 1.475 70.266 68.868 -0.128 0.000 1.289 371 T HN 0.494 8.734 8.240 -0.000 0.000 0.514 372 V N 1.497 121.291 119.914 -0.201 0.000 2.953 372 V HA 0.684 4.805 4.120 0.003 0.000 0.304 372 V C -2.293 173.745 176.094 -0.094 0.000 1.073 372 V CA -1.745 60.432 62.300 -0.206 0.000 1.064 372 V CB 0.056 31.642 31.823 -0.395 0.000 1.047 372 V HN 0.780 8.970 8.190 -0.000 0.000 0.478 373 P HA 0.200 4.620 4.420 -0.000 0.000 0.268 373 P C -0.621 176.699 177.300 0.034 0.000 1.205 373 P CA 0.008 63.105 63.100 -0.004 0.000 0.771 373 P CB 0.420 32.125 31.700 0.008 0.000 0.858 374 D N 0.476 120.895 120.400 0.031 0.000 2.423 374 D HA 0.443 5.085 4.640 0.003 0.000 0.238 374 D C 0.880 177.208 176.300 0.047 0.000 1.142 374 D CA 1.628 55.657 54.000 0.048 0.000 0.884 374 D CB 0.200 41.018 40.800 0.030 0.000 1.199 374 D HN 0.718 9.088 8.370 -0.000 0.000 0.438 375 G N 1.411 110.238 108.800 0.046 0.000 2.392 375 G HA2 -0.004 3.958 3.960 0.003 0.000 0.677 375 G HA3 -0.004 3.958 3.960 0.003 0.000 0.677 375 G C -2.948 171.954 174.900 0.003 0.000 1.334 375 G CA -1.312 43.800 45.100 0.019 0.000 0.961 375 G HN 0.357 8.647 8.290 -0.000 0.000 0.616 376 P HA 0.460 4.880 4.420 -0.000 0.000 0.270 376 P C 1.273 178.542 177.300 -0.053 0.000 1.223 376 P CA 1.680 64.747 63.100 -0.055 0.000 0.785 376 P CB 0.736 32.410 31.700 -0.043 0.000 0.923 377 G N 0.777 109.520 108.800 -0.094 0.000 2.596 377 G HA2 -0.345 3.617 3.960 0.003 0.000 0.295 377 G HA3 -0.345 3.617 3.960 0.003 0.000 0.295 377 G C 0.924 175.710 174.900 -0.190 0.000 1.240 377 G CA 0.431 45.467 45.100 -0.108 0.000 0.985 377 G HN 0.476 8.766 8.290 -0.000 0.000 0.555 378 L N 1.353 122.501 121.223 -0.125 0.000 2.079 378 L HA 0.212 4.554 4.340 0.003 0.000 0.210 378 L C 2.695 179.654 176.870 0.148 0.000 1.081 378 L CA 1.791 56.602 54.840 -0.047 0.000 0.752 378 L CB -0.771 41.286 42.059 -0.004 0.000 0.896 378 L HN 2.203 10.433 8.230 -0.000 0.000 0.433 379 G N 0.154 108.992 108.800 0.064 0.000 2.141 379 G HA2 -0.226 3.735 3.960 0.003 0.000 0.242 379 G HA3 -0.226 3.735 3.960 0.003 0.000 0.242 379 G C -0.133 174.786 174.900 0.032 0.000 0.982 379 G CA 0.282 45.421 45.100 0.065 0.000 0.662 379 G HN 0.322 8.612 8.290 -0.000 0.000 0.527 380 L N -3.678 117.551 121.223 0.010 0.000 2.415 380 L HA 1.054 5.395 4.340 0.003 0.000 0.256 380 L C -0.490 176.354 176.870 -0.045 0.000 1.010 380 L CA -1.701 53.125 54.840 -0.023 0.000 0.826 380 L CB 1.227 43.263 42.059 -0.038 0.000 1.405 380 L HN 0.073 8.303 8.230 -0.000 0.000 0.410 381 E N 0.741 120.902 120.200 -0.065 0.000 2.339 381 E HA 0.653 5.005 4.350 0.003 0.000 0.262 381 E C -0.878 175.629 176.600 -0.155 0.000 0.934 381 E CA -1.098 55.244 56.400 -0.097 0.000 0.802 381 E CB 2.110 31.769 29.700 -0.068 0.000 1.275 381 E HN 0.534 8.894 8.360 -0.000 0.000 0.427 385 D N 0.538 120.938 120.400 0.001 0.000 2.643 385 D HA 0.129 4.770 4.640 0.003 0.000 0.244 385 D C 1.139 177.455 176.300 0.026 0.000 1.257 385 D CA -0.382 53.627 54.000 0.015 0.000 0.831 385 D CB 0.097 40.908 40.800 0.017 0.000 1.043 385 D HN 0.088 8.458 8.370 -0.000 0.000 0.488 386 I N 1.029 121.610 120.570 0.018 0.000 2.394 386 I HA -0.112 4.060 4.170 0.003 0.000 0.251 386 I C 2.006 178.171 176.117 0.081 0.000 1.136 386 I CA 1.096 62.419 61.300 0.038 0.000 1.425 386 I CB 0.040 38.026 38.000 -0.023 0.000 1.079 386 I HN -0.097 8.113 8.210 -0.000 0.000 0.425 387 R N -0.130 120.411 120.500 0.069 0.000 2.280 387 R HA -0.102 4.240 4.340 0.003 0.000 0.207 387 R C 1.624 177.964 176.300 0.065 0.000 1.043 387 R CA 0.800 56.947 56.100 0.078 0.000 1.006 387 R CB -0.070 30.269 30.300 0.065 0.000 0.885 387 R HN 0.356 8.626 8.270 -0.000 0.000 0.467 388 E N 0.016 120.250 120.200 0.056 0.000 2.162 388 E HA 0.020 4.372 4.350 0.003 0.000 0.193 388 E C 1.753 178.383 176.600 0.050 0.000 0.953 388 E CA 0.689 57.116 56.400 0.045 0.000 0.849 388 E CB 0.228 29.948 29.700 0.035 0.000 0.810 388 E HN 0.155 8.515 8.360 -0.000 0.000 0.470 389 R N -0.311 120.226 120.500 0.062 0.000 2.115 389 R HA 0.061 4.403 4.340 0.003 0.000 0.230 389 R C -0.078 176.273 176.300 0.083 0.000 1.111 389 R CA 0.616 56.758 56.100 0.071 0.000 0.976 389 R CB -0.090 30.262 30.300 0.087 0.000 0.870 389 R HN -0.004 8.266 8.270 -0.000 0.000 0.445 390 L N 0.252 121.540 121.223 0.108 0.000 2.362 390 L HA 0.260 4.602 4.340 0.003 0.000 0.271 390 L C -0.498 176.430 176.870 0.096 0.000 1.002 390 L CA -0.300 54.613 54.840 0.122 0.000 0.818 390 L CB 2.203 44.398 42.059 0.227 0.000 1.298 390 L HN -0.112 8.118 8.230 -0.000 0.000 0.420 391 T N 4.137 118.729 114.554 0.062 0.000 2.743 391 T HA 0.485 4.836 4.350 0.003 0.000 0.290 391 T C 0.108 174.854 174.700 0.076 0.000 0.908 391 T CA 0.229 62.361 62.100 0.052 0.000 1.092 391 T CB -0.540 68.340 68.868 0.020 0.000 0.882 391 T HN 0.244 8.484 8.240 -0.000 0.000 0.531 392 I N 2.743 123.371 120.570 0.096 0.000 2.410 392 I HA 0.452 4.624 4.170 0.003 0.000 0.286 392 I C 0.391 176.567 176.117 0.099 0.000 1.009 392 I CA -1.106 60.271 61.300 0.128 0.000 1.111 392 I CB 1.427 39.540 38.000 0.187 0.000 1.262 392 I HN 0.595 8.805 8.210 -0.000 0.000 0.443 393 A N 7.293 130.165 122.820 0.087 0.000 2.395 393 A HA 0.523 4.845 4.320 0.003 0.000 0.286 393 A C 0.015 177.654 177.584 0.091 0.000 1.193 393 A CA -0.363 51.716 52.037 0.070 0.000 0.852 393 A CB -0.004 19.027 19.000 0.052 0.000 1.118 393 A HN 0.581 8.731 8.150 -0.000 0.000 0.524 394 V N 1.081 121.043 119.914 0.080 0.000 2.713 394 V HA 0.919 5.041 4.120 0.003 0.000 0.307 394 V C -0.096 176.029 176.094 0.052 0.000 1.052 394 V CA -0.986 61.369 62.300 0.091 0.000 0.967 394 V CB 1.392 33.269 31.823 0.091 0.000 1.019 394 V HN 0.981 9.171 8.190 -0.000 0.000 0.459 395 R N 2.366 122.901 120.500 0.059 0.000 2.698 395 R HA 0.544 4.886 4.340 0.003 0.000 0.275 395 R C -1.313 174.966 176.300 -0.035 0.000 1.001 395 R CA -0.441 55.610 56.100 -0.081 0.000 0.896 395 R CB 1.908 32.065 30.300 -0.240 0.000 1.218 395 R HN 1.026 9.296 8.270 -0.000 0.000 0.462 396 N N 1.060 119.688 118.700 -0.121 0.000 2.235 396 N HA 0.387 5.128 4.740 0.003 0.000 0.293 396 N C -1.967 173.557 175.510 0.023 0.000 1.083 396 N CA -0.214 52.859 53.050 0.040 0.000 0.801 396 N CB 2.539 41.047 38.487 0.035 0.000 1.559 396 N HN 0.570 8.950 8.380 -0.000 0.000 0.472 397 T N 0.287 114.926 114.554 0.142 0.000 2.933 397 T HA 0.698 5.050 4.350 0.003 0.000 0.305 397 T C -1.109 173.637 174.700 0.077 0.000 1.092 397 T CA -0.258 61.908 62.100 0.111 0.000 1.008 397 T CB 0.683 69.672 68.868 0.201 0.000 1.102 397 T HN 0.650 8.890 8.240 -0.000 0.000 0.469 398 S N 3.126 118.849 115.700 0.038 0.000 2.752 398 S HA 0.597 5.068 4.470 0.003 0.000 0.284 398 S C -0.892 173.710 174.600 0.002 0.000 1.189 398 S CA -1.108 57.106 58.200 0.023 0.000 0.835 398 S CB 0.906 64.119 63.200 0.021 0.000 1.192 398 S HN 0.695 9.005 8.310 -0.000 0.000 0.506 399 D N 0.000 120.398 120.400 -0.003 0.000 6.856 399 D HA 0.000 4.642 4.640 0.003 0.000 0.175 399 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 399 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 399 D HN 0.000 8.370 8.370 -0.000 0.000 0.683