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 3i09_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXXXXXXXXX XXXXXXXXXX XXXXXADSVK IGFITDXSGL YADIDGQGGL DATA SEQUENCE EAIKXAVADF GGKVNGKPIE VVYADHQNKA DIAASKAREW XDRGGLDLLV DATA SEQUENCE GGTNSATALS XNQVAAEKKK VYINIGAGAD TLTNEQcTPY TVHYAYDTXA DATA SEQUENCE LAKGTGSAVV KQGGKTWFFL TADYAFGKAL EKNTADVVKA NGGKVLGEVR DATA SEQUENCE HPLSASDFSS FLLQAQSSKA QILGLANAGG DTVNAIKAAK EFGITKTXKL DATA SEQUENCE AALLXFINDV HALGLETTQG LVLTDSWYWN RDQASRQWAQ RYFAKXKKXP DATA SEQUENCE SSLQAADYSS VTTYLKAVQA AGSTDSDKVX AQLKKXKIDD FYAKGYIRTD DATA SEQUENCE GSXIHDXYLX EVKKPSESKE PWDYYKVVAT IPGEQAFTTK QETRcALWK 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 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 0 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 0 G C 0.000 174.898 174.900 -0.003 0.000 0.946 0 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 26 D N 0.619 121.017 120.400 -0.005 0.000 2.392 26 D HA 0.184 4.822 4.640 -0.003 0.000 0.206 26 D C 0.639 176.936 176.300 -0.005 0.000 1.046 26 D CA 1.363 55.361 54.000 -0.004 0.000 0.865 26 D CB 0.853 41.649 40.800 -0.006 0.000 0.969 26 D HN 0.549 8.919 8.370 -0.000 0.000 0.509 27 S N -0.438 115.256 115.700 -0.010 0.000 2.569 27 S HA 0.457 4.925 4.470 -0.003 0.000 0.280 27 S C -0.623 173.971 174.600 -0.010 0.000 1.111 27 S CA -0.804 57.389 58.200 -0.012 0.000 0.887 27 S CB 2.510 65.696 63.200 -0.024 0.000 1.095 27 S HN -0.192 8.118 8.310 -0.000 0.000 0.476 28 V N 2.547 122.459 119.914 -0.003 0.000 2.408 28 V HA 0.349 4.467 4.120 -0.003 0.000 0.267 28 V C 0.112 176.194 176.094 -0.020 0.000 1.047 28 V CA -0.203 62.103 62.300 0.010 0.000 0.937 28 V CB 0.440 32.283 31.823 0.035 0.000 0.999 28 V HN 0.787 8.977 8.190 -0.000 0.000 0.472 29 K N 5.863 126.237 120.400 -0.044 0.000 2.240 29 K HA 0.608 4.926 4.320 -0.003 0.000 0.271 29 K C -0.854 175.660 176.600 -0.143 0.000 1.018 29 K CA -0.414 55.806 56.287 -0.111 0.000 0.874 29 K CB 1.793 34.205 32.500 -0.146 0.000 1.098 29 K HN 0.545 8.795 8.250 -0.000 0.000 0.458 30 I N 2.030 122.496 120.570 -0.173 0.000 2.362 30 I HA 0.289 4.457 4.170 -0.003 0.000 0.289 30 I C 0.418 176.404 176.117 -0.219 0.000 0.994 30 I CA -0.632 60.553 61.300 -0.193 0.000 1.158 30 I CB 1.916 39.810 38.000 -0.177 0.000 1.315 30 I HN 0.623 8.833 8.210 -0.000 0.000 0.451 31 G N 5.536 114.225 108.800 -0.185 0.000 2.416 31 G HA2 0.618 4.576 3.960 -0.003 0.000 0.329 31 G HA3 0.618 4.576 3.960 -0.003 0.000 0.329 31 G C -1.642 173.406 174.900 0.247 0.000 1.173 31 G CA -0.276 44.684 45.100 -0.233 0.000 0.929 31 G HN 0.355 8.645 8.290 -0.000 0.000 0.475 32 F N 2.835 122.900 119.950 0.191 0.000 2.507 32 F HA 0.677 5.202 4.527 -0.003 0.000 0.328 32 F C -0.820 175.191 175.800 0.353 0.000 1.136 32 F CA -1.942 56.196 58.000 0.230 0.000 0.930 32 F CB 1.436 40.512 39.000 0.127 0.000 1.166 32 F HN 0.274 8.574 8.300 -0.000 0.000 0.436 33 I N 6.022 126.522 120.570 -0.117 0.000 2.410 33 I HA 0.472 4.640 4.170 -0.003 0.000 0.286 33 I C -0.204 175.635 176.117 -0.463 0.000 1.009 33 I CA -0.324 60.856 61.300 -0.200 0.000 1.111 33 I CB 1.966 39.969 38.000 0.005 0.000 1.262 33 I HN 0.623 8.833 8.210 -0.000 0.000 0.443 34 T N 2.883 117.023 114.554 -0.690 0.000 2.731 34 T HA 0.229 4.577 4.350 -0.003 0.000 0.300 34 T C -1.327 172.771 174.700 -1.002 0.000 1.283 34 T CA -0.392 61.256 62.100 -0.753 0.000 1.005 34 T CB 2.018 70.485 68.868 -0.668 0.000 1.420 34 T HN 0.641 8.881 8.240 -0.000 0.000 0.503 38 G N 2.167 110.978 108.800 0.018 0.000 3.008 38 G HA2 0.602 4.560 3.960 -0.003 0.000 0.181 38 G HA3 0.602 4.560 3.960 -0.003 0.000 0.181 38 G C 0.830 175.716 174.900 -0.025 0.000 1.309 38 G CA -0.378 44.717 45.100 -0.009 0.000 1.009 38 G HN 0.783 9.073 8.290 -0.000 0.000 0.584 39 L N -2.317 118.828 121.223 -0.129 0.000 2.450 39 L HA 0.176 4.515 4.340 -0.003 0.000 0.224 39 L C 1.302 178.116 176.870 -0.094 0.000 1.149 39 L CA 1.235 55.980 54.840 -0.157 0.000 0.816 39 L CB -0.293 41.602 42.059 -0.274 0.000 0.932 39 L HN 0.329 8.559 8.230 -0.000 0.000 0.449 40 Y N 0.093 120.452 120.300 0.099 0.000 2.507 40 Y HA 0.477 5.025 4.550 -0.003 0.000 0.254 40 Y C 2.394 178.327 175.900 0.056 0.000 1.171 40 Y CA -0.514 57.637 58.100 0.086 0.000 1.238 40 Y CB -0.325 38.188 38.460 0.087 0.000 1.148 40 Y HN 0.188 8.468 8.280 -0.000 0.000 0.525 41 A N 0.031 122.954 122.820 0.172 0.000 1.898 41 A HA -0.154 4.165 4.320 -0.003 0.000 0.216 41 A C 1.866 179.524 177.584 0.122 0.000 1.181 41 A CA 2.054 54.162 52.037 0.118 0.000 0.620 41 A CB -0.350 18.698 19.000 0.079 0.000 0.819 41 A HN 0.239 8.389 8.150 -0.000 0.000 0.442 42 D N 0.236 120.721 120.400 0.142 0.000 2.144 42 D HA -0.123 4.515 4.640 -0.003 0.000 0.200 42 D C 1.905 178.289 176.300 0.141 0.000 0.978 42 D CA 1.611 55.701 54.000 0.150 0.000 0.833 42 D CB -0.393 40.518 40.800 0.184 0.000 0.961 42 D HN 0.732 9.102 8.370 -0.000 0.000 0.470 43 I N -2.378 118.259 120.570 0.112 0.000 2.928 43 I HA 0.027 4.195 4.170 -0.003 0.000 0.266 43 I C 1.153 177.229 176.117 -0.069 0.000 1.234 43 I CA 0.947 62.237 61.300 -0.016 0.000 1.483 43 I CB 0.178 38.045 38.000 -0.222 0.000 1.097 43 I HN -0.219 7.991 8.210 -0.000 0.000 0.455 44 D N 0.010 120.427 120.400 0.030 0.000 2.640 44 D HA 0.365 5.003 4.640 -0.003 0.000 0.120 44 D C 1.174 177.568 176.300 0.157 0.000 1.354 44 D CA 1.220 55.273 54.000 0.088 0.000 1.528 44 D CB -0.044 40.808 40.800 0.086 0.000 1.963 44 D HN 0.253 8.623 8.370 -0.000 0.000 0.191 45 G N 1.196 110.092 108.800 0.161 0.000 2.602 45 G HA2 -0.465 3.494 3.960 -0.003 0.000 0.306 45 G HA3 -0.465 3.494 3.960 -0.003 0.000 0.306 45 G C 0.960 175.965 174.900 0.175 0.000 1.301 45 G CA 1.109 46.284 45.100 0.126 0.000 0.974 45 G HN 0.622 8.912 8.290 -0.000 0.000 0.547 46 Q N 0.298 120.150 119.800 0.087 0.000 2.112 46 Q HA -0.121 4.217 4.340 -0.003 0.000 0.206 46 Q C 2.810 178.837 176.000 0.044 0.000 0.987 46 Q CA 2.869 58.691 55.803 0.031 0.000 0.858 46 Q CB -0.993 27.738 28.738 -0.011 0.000 0.905 46 Q HN 0.988 9.258 8.270 -0.000 0.000 0.420 47 G N -0.304 108.552 108.800 0.093 0.000 2.422 47 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.218 47 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.218 47 G C 1.304 176.332 174.900 0.213 0.000 1.146 47 G CA 0.734 45.937 45.100 0.170 0.000 0.769 47 G HN 0.541 8.831 8.290 -0.000 0.000 0.547 48 G N 0.767 109.667 108.800 0.167 0.000 2.418 48 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.217 48 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.217 48 G C 1.732 176.497 174.900 -0.225 0.000 1.158 48 G CA 1.053 46.170 45.100 0.029 0.000 0.771 48 G HN 0.416 8.706 8.290 -0.000 0.000 0.545 49 L N 0.697 121.888 121.223 -0.053 0.000 2.017 49 L HA 0.020 4.358 4.340 -0.003 0.000 0.208 49 L C 2.546 179.331 176.870 -0.141 0.000 1.073 49 L CA 2.496 57.248 54.840 -0.146 0.000 0.745 49 L CB -0.602 41.427 42.059 -0.050 0.000 0.894 49 L HN 0.243 8.473 8.230 -0.000 0.000 0.432 50 E N -0.067 120.087 120.200 -0.077 0.000 2.110 50 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 50 E C 2.100 178.711 176.600 0.017 0.000 0.988 50 E CA 1.405 57.762 56.400 -0.072 0.000 0.804 50 E CB -0.387 29.229 29.700 -0.140 0.000 0.745 50 E HN 0.563 8.923 8.360 -0.000 0.000 0.458 51 A N 0.490 123.389 122.820 0.131 0.000 1.902 51 A HA -0.146 4.172 4.320 -0.003 0.000 0.217 51 A C 2.376 180.060 177.584 0.167 0.000 1.181 51 A CA 1.515 53.742 52.037 0.317 0.000 0.623 51 A CB -0.718 18.516 19.000 0.390 0.000 0.818 51 A HN 0.342 8.492 8.150 -0.000 0.000 0.443 52 I N -0.286 120.230 120.570 -0.091 0.000 2.163 52 I HA -0.216 3.952 4.170 -0.003 0.000 0.243 52 I C 1.295 177.331 176.117 -0.135 0.000 1.085 52 I CA 1.054 62.230 61.300 -0.207 0.000 1.347 52 I CB -0.302 37.474 38.000 -0.373 0.000 1.044 52 I HN 0.254 8.464 8.210 -0.000 0.000 0.408 56 V N 1.342 121.176 119.914 -0.133 0.000 2.295 56 V HA -0.185 3.933 4.120 -0.003 0.000 0.246 56 V C 3.032 179.154 176.094 0.046 0.000 1.049 56 V CA 2.738 65.013 62.300 -0.041 0.000 1.024 56 V CB -1.116 30.674 31.823 -0.055 0.000 0.648 56 V HN 0.742 8.932 8.190 -0.000 0.000 0.447 57 A N -0.114 122.726 122.820 0.033 0.000 1.902 57 A HA -0.248 4.070 4.320 -0.003 0.000 0.217 57 A C 1.964 179.597 177.584 0.081 0.000 1.181 57 A CA 2.038 54.106 52.037 0.052 0.000 0.623 57 A CB -0.640 18.381 19.000 0.035 0.000 0.818 57 A HN 0.547 8.697 8.150 -0.000 0.000 0.443 58 D N -1.338 119.128 120.400 0.110 0.000 2.219 58 D HA -0.089 4.549 4.640 -0.003 0.000 0.205 58 D C 1.431 177.811 176.300 0.135 0.000 0.970 58 D CA 0.808 54.893 54.000 0.141 0.000 0.851 58 D CB -0.356 40.594 40.800 0.250 0.000 0.943 58 D HN 0.490 8.860 8.370 -0.000 0.000 0.488 59 F N 0.112 120.060 119.950 -0.003 0.000 2.502 59 F HA 0.123 4.648 4.527 -0.003 0.000 0.298 59 F C 1.676 177.475 175.800 -0.001 0.000 1.111 59 F CA 1.333 59.329 58.000 -0.007 0.000 1.445 59 F CB 0.476 39.454 39.000 -0.037 0.000 1.081 59 F HN 0.096 8.396 8.300 -0.000 0.000 0.558 60 G N -1.181 107.676 108.800 0.094 0.000 2.227 60 G HA2 -0.029 3.929 3.960 -0.003 0.000 0.168 60 G HA3 -0.029 3.929 3.960 -0.003 0.000 0.168 60 G C 1.093 176.039 174.900 0.077 0.000 1.006 60 G CA 0.083 45.202 45.100 0.033 0.000 0.684 60 G HN 1.172 9.462 8.290 -0.000 0.000 0.489 61 G N -0.217 108.657 108.800 0.124 0.000 2.184 61 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.264 61 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.264 61 G C 0.241 175.190 174.900 0.082 0.000 0.975 61 G CA 1.712 46.860 45.100 0.080 0.000 0.642 61 G HN 1.855 10.145 8.290 -0.000 0.000 0.536 62 K N -1.838 118.640 120.400 0.131 0.000 2.533 62 K HA 0.839 5.157 4.320 -0.003 0.000 0.272 62 K C -1.658 175.065 176.600 0.204 0.000 0.985 62 K CA -0.974 55.381 56.287 0.114 0.000 0.876 62 K CB 2.794 35.335 32.500 0.068 0.000 1.452 62 K HN 0.769 9.019 8.250 -0.000 0.000 0.439 63 V N 1.667 121.667 119.914 0.144 0.000 2.733 63 V HA 0.302 4.420 4.120 -0.003 0.000 0.306 63 V C -1.137 175.011 176.094 0.091 0.000 1.084 63 V CA -0.539 61.873 62.300 0.186 0.000 0.905 63 V CB 1.284 33.167 31.823 0.101 0.000 1.010 63 V HN 0.933 9.123 8.190 -0.000 0.000 0.424 64 N N 4.548 123.300 118.700 0.086 0.000 2.727 64 N HA -0.195 4.543 4.740 -0.003 0.000 0.249 64 N C 1.068 176.597 175.510 0.032 0.000 1.048 64 N CA 1.968 55.044 53.050 0.043 0.000 0.714 64 N CB -1.261 37.241 38.487 0.024 0.000 0.959 64 N HN 1.868 10.248 8.380 -0.000 0.000 0.544 65 G N -1.280 107.542 108.800 0.036 0.000 2.184 65 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.264 65 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.264 65 G C 0.074 174.988 174.900 0.024 0.000 0.975 65 G CA 0.936 46.051 45.100 0.025 0.000 0.642 65 G HN 0.649 8.939 8.290 -0.000 0.000 0.536 66 K N 1.227 121.645 120.400 0.030 0.000 2.235 66 K HA 0.553 4.871 4.320 -0.003 0.000 0.266 66 K C -2.525 174.091 176.600 0.026 0.000 0.980 66 K CA -2.395 53.905 56.287 0.022 0.000 0.849 66 K CB 1.763 34.273 32.500 0.017 0.000 1.098 66 K HN -0.037 8.213 8.250 -0.000 0.000 0.445 67 P HA 0.027 4.447 4.420 -0.000 0.000 0.268 67 P C -0.767 176.539 177.300 0.009 0.000 1.205 67 P CA 0.173 63.282 63.100 0.016 0.000 0.771 67 P CB 0.486 32.190 31.700 0.007 0.000 0.858 68 I N 2.544 123.120 120.570 0.010 0.000 2.331 68 I HA 0.241 4.409 4.170 -0.003 0.000 0.292 68 I C 0.784 176.887 176.117 -0.024 0.000 0.998 68 I CA -0.204 61.092 61.300 -0.007 0.000 1.267 68 I CB 0.857 38.852 38.000 -0.007 0.000 1.386 68 I HN 0.224 8.434 8.210 -0.000 0.000 0.476 69 E N 4.923 125.097 120.200 -0.045 0.000 2.195 69 E HA 0.574 4.922 4.350 -0.003 0.000 0.271 69 E C -1.301 175.246 176.600 -0.090 0.000 0.923 69 E CA -0.811 55.553 56.400 -0.061 0.000 0.790 69 E CB 2.988 32.644 29.700 -0.074 0.000 1.155 69 E HN 0.238 8.598 8.360 -0.000 0.000 0.402 70 V N 3.142 123.013 119.914 -0.072 0.000 2.448 70 V HA 0.368 4.486 4.120 -0.003 0.000 0.295 70 V C -0.169 175.887 176.094 -0.064 0.000 1.025 70 V CA -0.692 61.565 62.300 -0.071 0.000 0.859 70 V CB 1.475 33.286 31.823 -0.019 0.000 0.988 70 V HN 0.501 8.691 8.190 -0.000 0.000 0.431 71 V N 3.339 123.137 119.914 -0.193 0.000 2.960 71 V HA 0.910 5.028 4.120 -0.003 0.000 0.315 71 V C -1.053 174.996 176.094 -0.075 0.000 1.087 71 V CA -0.795 61.333 62.300 -0.287 0.000 0.982 71 V CB 1.770 33.159 31.823 -0.725 0.000 1.039 71 V HN 0.934 9.124 8.190 -0.000 0.000 0.437 72 Y N 0.198 120.553 120.300 0.091 0.000 2.638 72 Y HA 1.002 5.550 4.550 -0.003 0.000 0.335 72 Y C -0.641 175.503 175.900 0.407 0.000 1.155 72 Y CA -0.849 57.447 58.100 0.328 0.000 1.046 72 Y CB 1.333 39.944 38.460 0.251 0.000 1.303 72 Y HN 1.288 9.568 8.280 -0.000 0.000 0.460 73 A N 1.233 124.308 122.820 0.424 0.000 2.547 73 A HA 0.489 4.807 4.320 -0.003 0.000 0.297 73 A C -2.172 175.441 177.584 0.048 0.000 1.056 73 A CA -0.645 51.487 52.037 0.158 0.000 0.688 73 A CB 1.535 20.523 19.000 -0.021 0.000 1.282 73 A HN 0.773 8.923 8.150 -0.000 0.000 0.400 74 D N 1.067 121.479 120.400 0.020 0.000 2.339 74 D HA 0.313 4.951 4.640 -0.003 0.000 0.241 74 D C 1.025 177.292 176.300 -0.055 0.000 1.183 74 D CA -0.024 53.936 54.000 -0.067 0.000 0.859 74 D CB 0.609 41.407 40.800 -0.004 0.000 1.067 74 D HN 0.612 8.982 8.370 -0.000 0.000 0.484 75 H N 2.845 121.886 119.070 -0.047 0.000 2.555 75 H HA 0.092 4.646 4.556 -0.003 0.000 0.269 75 H C 0.471 175.779 175.328 -0.034 0.000 0.988 75 H CA 0.490 56.504 56.048 -0.057 0.000 1.178 75 H CB -0.498 29.226 29.762 -0.064 0.000 1.373 75 H HN 0.499 8.779 8.280 -0.000 0.000 0.588 76 Q N 0.292 120.212 119.800 0.200 0.000 2.461 76 Q HA -0.290 4.048 4.340 -0.003 0.000 0.264 76 Q C -0.565 175.539 176.000 0.174 0.000 1.085 76 Q CA 0.561 56.447 55.803 0.139 0.000 1.006 76 Q CB -1.561 27.212 28.738 0.060 0.000 1.437 76 Q HN 0.715 8.985 8.270 -0.000 0.000 0.514 77 N N -0.615 118.316 118.700 0.385 0.000 2.735 77 N HA -0.142 4.596 4.740 -0.003 0.000 0.248 77 N C -1.108 174.364 175.510 -0.064 0.000 1.083 77 N CA 1.370 54.479 53.050 0.098 0.000 0.703 77 N CB -0.304 38.212 38.487 0.049 0.000 1.005 77 N HN 0.326 8.706 8.380 -0.000 0.000 0.550 78 K N -0.034 120.322 120.400 -0.075 0.000 2.394 78 K HA 0.527 4.845 4.320 -0.003 0.000 0.260 78 K C 1.024 177.540 176.600 -0.139 0.000 0.967 78 K CA -0.103 56.133 56.287 -0.086 0.000 0.855 78 K CB 1.541 34.018 32.500 -0.039 0.000 1.101 78 K HN 0.077 8.327 8.250 -0.000 0.000 0.433 79 A N 2.829 125.572 122.820 -0.128 0.000 1.940 79 A HA -0.238 4.080 4.320 -0.003 0.000 0.219 79 A C 1.578 179.103 177.584 -0.099 0.000 1.176 79 A CA 2.237 54.202 52.037 -0.119 0.000 0.631 79 A CB -0.324 18.635 19.000 -0.068 0.000 0.814 79 A HN 0.793 8.943 8.150 -0.000 0.000 0.446 80 D N 0.216 120.570 120.400 -0.078 0.000 2.149 80 D HA -0.124 4.514 4.640 -0.003 0.000 0.201 80 D C 1.759 178.009 176.300 -0.085 0.000 0.972 80 D CA 1.182 55.138 54.000 -0.073 0.000 0.835 80 D CB -0.716 40.050 40.800 -0.056 0.000 0.966 80 D HN 0.516 8.886 8.370 -0.000 0.000 0.476 81 I N 1.190 121.714 120.570 -0.077 0.000 2.179 81 I HA -0.239 3.929 4.170 -0.003 0.000 0.242 81 I C 2.737 178.789 176.117 -0.109 0.000 1.088 81 I CA 1.256 62.508 61.300 -0.080 0.000 1.357 81 I CB -0.406 37.571 38.000 -0.039 0.000 1.051 81 I HN 0.043 8.253 8.210 -0.000 0.000 0.409 82 A N 0.856 123.622 122.820 -0.090 0.000 1.883 82 A HA -0.206 4.112 4.320 -0.003 0.000 0.217 82 A C 2.540 180.028 177.584 -0.161 0.000 1.186 82 A CA 2.107 54.085 52.037 -0.100 0.000 0.624 82 A CB -0.902 18.047 19.000 -0.085 0.000 0.822 82 A HN 0.450 8.600 8.150 -0.000 0.000 0.444 83 A N -0.940 121.794 122.820 -0.143 0.000 1.930 83 A HA -0.028 4.290 4.320 -0.003 0.000 0.217 83 A C 2.449 179.935 177.584 -0.164 0.000 1.175 83 A CA 1.985 53.933 52.037 -0.148 0.000 0.627 83 A CB -0.816 18.114 19.000 -0.117 0.000 0.815 83 A HN 0.443 8.593 8.150 -0.000 0.000 0.443 84 S N -0.203 115.402 115.700 -0.159 0.000 2.356 84 S HA -0.127 4.341 4.470 -0.003 0.000 0.223 84 S C 2.068 176.521 174.600 -0.245 0.000 1.032 84 S CA 1.379 59.480 58.200 -0.165 0.000 1.005 84 S CB -0.188 62.930 63.200 -0.137 0.000 0.867 84 S HN 0.502 8.812 8.310 -0.000 0.000 0.449 85 K N 1.511 121.703 120.400 -0.347 0.000 2.057 85 K HA 0.042 4.360 4.320 -0.003 0.000 0.207 85 K C 2.356 178.507 176.600 -0.747 0.000 1.049 85 K CA 1.196 57.104 56.287 -0.631 0.000 0.931 85 K CB -0.625 31.415 32.500 -0.767 0.000 0.714 85 K HN 0.355 8.605 8.250 -0.000 0.000 0.440 86 A N 1.531 124.066 122.820 -0.475 0.000 1.902 86 A HA -0.175 4.144 4.320 -0.003 0.000 0.217 86 A C 2.276 179.787 177.584 -0.121 0.000 1.181 86 A CA 1.389 53.279 52.037 -0.245 0.000 0.623 86 A CB -0.446 18.453 19.000 -0.168 0.000 0.818 86 A HN 0.220 8.370 8.150 -0.000 0.000 0.443 87 R N -0.621 119.792 120.500 -0.145 0.000 2.083 87 R HA -0.186 4.152 4.340 -0.003 0.000 0.237 87 R C 2.382 178.650 176.300 -0.053 0.000 1.137 87 R CA 1.781 57.827 56.100 -0.090 0.000 0.951 87 R CB -0.277 29.965 30.300 -0.097 0.000 0.851 87 R HN 0.767 9.037 8.270 -0.000 0.000 0.434 88 E N -0.337 119.805 120.200 -0.096 0.000 2.051 88 E HA -0.175 4.173 4.350 -0.003 0.000 0.192 88 E C 0.066 176.732 176.600 0.109 0.000 0.991 88 E CA 0.695 57.074 56.400 -0.035 0.000 0.799 88 E CB -0.015 29.624 29.700 -0.102 0.000 0.748 88 E HN 0.134 8.494 8.360 -0.000 0.000 0.449 92 R N 0.416 120.945 120.500 0.049 0.000 2.541 92 R HA 0.466 4.804 4.340 -0.003 0.000 0.332 92 R C 1.262 177.597 176.300 0.058 0.000 0.951 92 R CA 0.449 56.576 56.100 0.045 0.000 1.136 92 R CB 1.445 31.768 30.300 0.039 0.000 1.449 92 R HN 0.020 8.290 8.270 -0.000 0.000 0.531 93 G N 0.432 109.282 108.800 0.083 0.000 3.228 93 G HA2 0.281 4.239 3.960 -0.003 0.000 0.245 93 G HA3 0.281 4.239 3.960 -0.003 0.000 0.245 93 G C 0.828 175.727 174.900 -0.001 0.000 1.051 93 G CA 0.151 45.286 45.100 0.058 0.000 0.809 93 G HN 0.317 8.607 8.290 -0.000 0.000 0.531 94 G N 0.179 108.987 108.800 0.014 0.000 2.249 94 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.273 94 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.273 94 G C 0.278 175.168 174.900 -0.016 0.000 1.036 94 G CA 0.248 45.347 45.100 -0.003 0.000 0.824 94 G HN 0.687 8.977 8.290 -0.000 0.000 0.504 95 L N 0.155 121.379 121.223 0.002 0.000 2.499 95 L HA 0.342 4.680 4.340 -0.003 0.000 0.273 95 L C 1.074 177.943 176.870 -0.003 0.000 1.195 95 L CA 0.821 55.652 54.840 -0.015 0.000 0.882 95 L CB 0.589 42.687 42.059 0.065 0.000 1.133 95 L HN 0.245 8.475 8.230 -0.000 0.000 0.483 96 D N 3.214 123.601 120.400 -0.021 0.000 2.431 96 D HA 0.122 4.760 4.640 -0.003 0.000 0.227 96 D C -0.386 175.889 176.300 -0.042 0.000 1.030 96 D CA 0.427 54.440 54.000 0.021 0.000 0.897 96 D CB 0.708 41.559 40.800 0.085 0.000 1.058 96 D HN 0.291 8.661 8.370 -0.000 0.000 0.500 97 L N 1.280 122.394 121.223 -0.182 0.000 2.436 97 L HA 0.421 4.759 4.340 -0.003 0.000 0.268 97 L C -1.804 174.989 176.870 -0.129 0.000 0.974 97 L CA -0.899 53.736 54.840 -0.342 0.000 0.826 97 L CB 2.219 43.723 42.059 -0.925 0.000 1.291 97 L HN -0.250 7.980 8.230 -0.000 0.000 0.406 98 L N 6.048 127.283 121.223 0.020 0.000 2.272 98 L HA 0.639 4.977 4.340 -0.003 0.000 0.289 98 L C -1.058 175.942 176.870 0.216 0.000 1.032 98 L CA -0.179 54.776 54.840 0.191 0.000 0.810 98 L CB 1.585 43.809 42.059 0.274 0.000 1.205 98 L HN 0.445 8.675 8.230 -0.000 0.000 0.422 99 V N 5.317 125.362 119.914 0.219 0.000 2.333 99 V HA 0.568 4.686 4.120 -0.003 0.000 0.274 99 V C 0.831 177.150 176.094 0.375 0.000 1.028 99 V CA -0.414 62.013 62.300 0.212 0.000 0.851 99 V CB 0.937 32.860 31.823 0.167 0.000 1.000 99 V HN 0.912 9.102 8.190 -0.000 0.000 0.456 100 G N 3.271 112.234 108.800 0.272 0.000 2.353 100 G HA2 0.552 4.511 3.960 -0.003 0.000 0.284 100 G HA3 0.552 4.511 3.960 -0.003 0.000 0.284 100 G C 0.449 175.494 174.900 0.242 0.000 1.172 100 G CA 0.297 45.582 45.100 0.310 0.000 0.854 100 G HN 0.904 9.194 8.290 -0.000 0.000 0.485 101 G N 0.742 109.648 108.800 0.177 0.000 2.829 101 G HA2 0.547 4.505 3.960 -0.003 0.000 0.173 101 G HA3 0.547 4.505 3.960 -0.003 0.000 0.173 101 G C 0.691 175.694 174.900 0.172 0.000 1.476 101 G CA 0.372 45.569 45.100 0.162 0.000 1.072 101 G HN 0.934 9.224 8.290 -0.000 0.000 0.577 102 T N -1.327 113.314 114.554 0.145 0.000 2.828 102 T HA 0.370 4.718 4.350 -0.003 0.000 0.290 102 T C 0.154 175.005 174.700 0.251 0.000 1.019 102 T CA 0.300 62.464 62.100 0.107 0.000 1.031 102 T CB 1.023 69.885 68.868 -0.011 0.000 1.001 102 T HN 1.191 9.431 8.240 -0.000 0.000 0.531 103 N N 0.183 118.962 118.700 0.131 0.000 3.596 103 N HA -0.165 4.573 4.740 -0.003 0.000 0.265 103 N C 0.567 176.226 175.510 0.247 0.000 1.939 103 N CA 0.606 53.821 53.050 0.275 0.000 2.197 103 N CB -1.027 37.619 38.487 0.266 0.000 0.622 103 N HN 0.652 9.032 8.380 -0.000 0.000 0.510 104 S N 2.112 118.010 115.700 0.330 0.000 2.419 104 S HA -0.030 4.439 4.470 -0.003 0.000 0.233 104 S C 1.936 176.651 174.600 0.193 0.000 1.016 104 S CA 1.233 59.565 58.200 0.220 0.000 0.974 104 S CB -0.036 63.283 63.200 0.199 0.000 0.786 104 S HN 0.762 9.072 8.310 -0.000 0.000 0.492 105 A N 1.641 124.633 122.820 0.287 0.000 1.877 105 A HA -0.132 4.186 4.320 -0.003 0.000 0.216 105 A C 2.459 180.069 177.584 0.043 0.000 1.186 105 A CA 2.137 54.278 52.037 0.174 0.000 0.620 105 A CB -1.420 17.704 19.000 0.207 0.000 0.822 105 A HN 0.627 8.777 8.150 -0.000 0.000 0.443 106 T N -2.298 112.239 114.554 -0.028 0.000 2.821 106 T HA 0.103 4.451 4.350 -0.003 0.000 0.267 106 T C 1.929 176.625 174.700 -0.007 0.000 1.046 106 T CA 1.633 63.660 62.100 -0.122 0.000 1.139 106 T CB -0.555 68.058 68.868 -0.425 0.000 0.871 106 T HN 0.568 8.808 8.240 -0.000 0.000 0.454 107 A N 1.707 124.573 122.820 0.077 0.000 1.908 107 A HA 0.125 4.444 4.320 -0.003 0.000 0.218 107 A C 2.443 180.096 177.584 0.114 0.000 1.181 107 A CA 1.555 53.687 52.037 0.159 0.000 0.627 107 A CB -0.908 18.173 19.000 0.134 0.000 0.818 107 A HN 0.568 8.718 8.150 -0.000 0.000 0.445 108 L N 0.359 121.616 121.223 0.056 0.000 2.156 108 L HA -0.038 4.300 4.340 -0.003 0.000 0.208 108 L C 1.993 178.849 176.870 -0.024 0.000 1.095 108 L CA 0.613 55.469 54.840 0.025 0.000 0.770 108 L CB -0.486 41.590 42.059 0.027 0.000 0.914 108 L HN 0.548 8.778 8.230 -0.000 0.000 0.439 112 Q N 0.960 120.689 119.800 -0.119 0.000 2.084 112 Q HA -0.053 4.285 4.340 -0.003 0.000 0.202 112 Q C 1.239 177.180 176.000 -0.098 0.000 0.978 112 Q CA 2.259 58.016 55.803 -0.076 0.000 0.844 112 Q CB 0.064 28.766 28.738 -0.060 0.000 0.898 112 Q HN 0.258 8.528 8.270 -0.000 0.000 0.426 113 V N 1.209 121.037 119.914 -0.143 0.000 2.295 113 V HA -0.280 3.838 4.120 -0.003 0.000 0.246 113 V C 2.455 178.462 176.094 -0.144 0.000 1.049 113 V CA 1.835 64.052 62.300 -0.138 0.000 1.024 113 V CB -1.219 30.511 31.823 -0.155 0.000 0.648 113 V HN 0.535 8.725 8.190 -0.000 0.000 0.447 114 A N 0.044 122.747 122.820 -0.195 0.000 1.908 114 A HA -0.143 4.175 4.320 -0.003 0.000 0.218 114 A C 2.416 179.931 177.584 -0.115 0.000 1.181 114 A CA 2.227 54.175 52.037 -0.149 0.000 0.627 114 A CB -0.785 18.127 19.000 -0.146 0.000 0.818 114 A HN 0.588 8.738 8.150 -0.000 0.000 0.445 115 A N -0.360 122.434 122.820 -0.044 0.000 1.930 115 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 115 A C 1.920 179.473 177.584 -0.052 0.000 1.175 115 A CA 1.608 53.660 52.037 0.026 0.000 0.627 115 A CB -0.481 18.562 19.000 0.072 0.000 0.815 115 A HN 0.637 8.787 8.150 -0.000 0.000 0.443 116 E N -0.274 119.884 120.200 -0.069 0.000 2.072 116 E HA -0.131 4.218 4.350 -0.003 0.000 0.191 116 E C 1.284 177.821 176.600 -0.103 0.000 0.985 116 E CA 1.095 57.454 56.400 -0.068 0.000 0.801 116 E CB -0.021 29.643 29.700 -0.061 0.000 0.750 116 E HN 0.329 8.689 8.360 -0.000 0.000 0.452 117 K N 0.499 120.815 120.400 -0.139 0.000 2.404 117 K HA 0.086 4.404 4.320 -0.003 0.000 0.194 117 K C -0.214 176.238 176.600 -0.246 0.000 1.023 117 K CA 0.083 56.282 56.287 -0.146 0.000 1.094 117 K CB 0.475 32.910 32.500 -0.108 0.000 0.841 117 K HN 0.038 8.288 8.250 -0.000 0.000 0.523 118 K N 1.827 121.959 120.400 -0.447 0.000 3.257 118 K HA -0.156 4.162 4.320 -0.003 0.000 0.270 118 K C -0.611 175.552 176.600 -0.729 0.000 0.984 118 K CA 0.780 56.474 56.287 -0.988 0.000 0.739 118 K CB -0.778 31.353 32.500 -0.615 0.000 1.351 118 K HN 0.007 8.257 8.250 -0.000 0.000 0.463 119 K N 0.481 120.605 120.400 -0.459 0.000 2.371 119 K HA 0.348 4.666 4.320 -0.003 0.000 0.251 119 K C 0.042 176.679 176.600 0.061 0.000 0.934 119 K CA -0.925 55.289 56.287 -0.122 0.000 0.798 119 K CB 2.068 34.530 32.500 -0.062 0.000 1.204 119 K HN -0.044 8.206 8.250 -0.000 0.000 0.427 120 V N 3.171 123.180 119.914 0.157 0.000 2.540 120 V HA -0.048 4.071 4.120 -0.003 0.000 0.297 120 V C -0.512 175.698 176.094 0.193 0.000 1.024 120 V CA 0.151 62.584 62.300 0.221 0.000 1.105 120 V CB -0.381 31.575 31.823 0.221 0.000 0.938 120 V HN 0.584 8.774 8.190 -0.000 0.000 0.482 121 Y N 6.495 126.833 120.300 0.063 0.000 2.329 121 Y HA 0.628 5.176 4.550 -0.003 0.000 0.328 121 Y C -0.561 175.356 175.900 0.029 0.000 0.992 121 Y CA -1.712 56.408 58.100 0.032 0.000 1.151 121 Y CB 1.336 39.825 38.460 0.048 0.000 1.150 121 Y HN 0.536 8.816 8.280 -0.000 0.000 0.450 122 I N 6.741 127.150 120.570 -0.268 0.000 2.382 122 I HA 0.290 4.458 4.170 -0.003 0.000 0.286 122 I C -0.476 175.380 176.117 -0.435 0.000 1.002 122 I CA -0.724 60.386 61.300 -0.317 0.000 1.135 122 I CB 1.400 39.286 38.000 -0.190 0.000 1.288 122 I HN 0.582 8.792 8.210 -0.000 0.000 0.448 123 N N 5.846 124.255 118.700 -0.485 0.000 2.419 123 N HA 0.358 5.096 4.740 -0.003 0.000 0.277 123 N C 0.024 175.562 175.510 0.045 0.000 1.006 123 N CA -0.185 52.697 53.050 -0.280 0.000 0.923 123 N CB 2.006 40.267 38.487 -0.377 0.000 1.140 123 N HN 0.479 8.859 8.380 -0.000 0.000 0.488 124 I N 2.526 123.151 120.570 0.092 0.000 3.132 124 I HA 0.195 4.363 4.170 -0.003 0.000 0.255 124 I C 2.247 178.521 176.117 0.261 0.000 1.118 124 I CA 0.528 61.926 61.300 0.163 0.000 1.463 124 I CB -0.491 37.553 38.000 0.073 0.000 1.356 124 I HN 0.710 8.920 8.210 -0.000 0.000 0.463 125 G N 0.604 109.544 108.800 0.233 0.000 2.448 125 G HA2 0.166 4.124 3.960 -0.003 0.000 0.218 125 G HA3 0.166 4.124 3.960 -0.003 0.000 0.218 125 G C 0.805 175.878 174.900 0.289 0.000 1.135 125 G CA 0.593 45.840 45.100 0.245 0.000 0.784 125 G HN 0.405 8.695 8.290 -0.000 0.000 0.543 126 A N -0.527 122.422 122.820 0.214 0.000 2.304 126 A HA 0.648 4.966 4.320 -0.003 0.000 0.301 126 A C 1.338 178.993 177.584 0.118 0.000 1.132 126 A CA 0.244 52.376 52.037 0.159 0.000 0.819 126 A CB 1.432 20.507 19.000 0.126 0.000 1.094 126 A HN 0.344 8.494 8.150 -0.000 0.000 0.492 127 G N 0.361 109.259 108.800 0.163 0.000 2.762 127 G HA2 0.393 4.351 3.960 -0.003 0.000 0.209 127 G HA3 0.393 4.351 3.960 -0.003 0.000 0.209 127 G C 0.792 175.852 174.900 0.267 0.000 1.134 127 G CA 0.742 45.893 45.100 0.085 0.000 0.781 127 G HN 1.351 9.641 8.290 -0.000 0.000 0.528 128 A N 2.109 125.090 122.820 0.269 0.000 2.561 128 A HA 0.265 4.583 4.320 -0.003 0.000 0.251 128 A C 1.519 179.182 177.584 0.130 0.000 1.062 128 A CA 0.693 52.816 52.037 0.144 0.000 0.761 128 A CB 0.199 19.245 19.000 0.076 0.000 0.986 128 A HN 0.403 8.553 8.150 -0.000 0.000 0.510 129 D N 2.707 123.171 120.400 0.107 0.000 2.348 129 D HA -0.120 4.518 4.640 -0.003 0.000 0.216 129 D C 1.200 177.546 176.300 0.076 0.000 0.970 129 D CA 1.368 55.443 54.000 0.125 0.000 0.889 129 D CB -0.855 40.002 40.800 0.095 0.000 0.912 129 D HN 0.463 8.833 8.370 -0.000 0.000 0.524 130 T N 1.232 115.807 114.554 0.035 0.000 2.760 130 T HA -0.147 4.201 4.350 -0.003 0.000 0.269 130 T C 2.046 176.753 174.700 0.012 0.000 1.047 130 T CA 0.868 62.979 62.100 0.018 0.000 1.139 130 T CB -0.311 68.560 68.868 0.005 0.000 0.855 130 T HN 0.224 8.464 8.240 -0.000 0.000 0.471 131 L N 1.215 122.424 121.223 -0.024 0.000 2.265 131 L HA -0.046 4.292 4.340 -0.003 0.000 0.215 131 L C 2.402 179.259 176.870 -0.020 0.000 1.117 131 L CA 1.336 56.133 54.840 -0.072 0.000 0.782 131 L CB -0.559 41.307 42.059 -0.322 0.000 0.914 131 L HN 0.444 8.674 8.230 -0.000 0.000 0.441 132 T N -5.632 108.941 114.554 0.031 0.000 3.182 132 T HA 0.248 4.597 4.350 -0.003 0.000 0.277 132 T C 0.776 175.523 174.700 0.078 0.000 1.013 132 T CA -0.494 61.633 62.100 0.044 0.000 0.900 132 T CB 0.196 69.094 68.868 0.049 0.000 1.098 132 T HN 0.113 8.353 8.240 -0.000 0.000 0.543 133 N N 1.476 120.219 118.700 0.072 0.000 2.719 133 N HA 0.198 4.936 4.740 -0.003 0.000 0.133 133 N C 0.858 176.403 175.510 0.059 0.000 1.637 133 N CA -0.031 53.068 53.050 0.082 0.000 1.184 133 N CB 0.212 38.744 38.487 0.075 0.000 0.995 133 N HN 0.078 8.458 8.380 -0.000 0.000 0.423 134 E N 1.343 121.567 120.200 0.039 0.000 2.204 134 E HA -0.074 4.274 4.350 -0.003 0.000 0.195 134 E C 0.526 177.143 176.600 0.029 0.000 0.990 134 E CA 1.230 57.648 56.400 0.028 0.000 0.821 134 E CB 0.022 29.730 29.700 0.014 0.000 0.750 134 E HN 0.363 8.723 8.360 -0.000 0.000 0.477 135 Q N -0.006 119.811 119.800 0.029 0.000 2.186 135 Q HA 0.167 4.506 4.340 -0.003 0.000 0.241 135 Q C -0.464 175.561 176.000 0.040 0.000 0.849 135 Q CA -0.396 55.425 55.803 0.031 0.000 1.053 135 Q CB 0.407 29.158 28.738 0.023 0.000 1.146 135 Q HN 0.324 8.594 8.270 -0.000 0.000 0.475 136 c N 0.322 118.948 118.600 0.045 0.000 2.676 136 c HA 0.599 5.167 4.570 -0.003 0.000 0.416 136 c C 0.923 175.044 174.090 0.052 0.000 1.299 136 c CA -0.298 56.058 56.329 0.045 0.000 2.048 136 c CB 0.106 42.645 42.510 0.048 0.000 2.713 136 c HN 0.447 8.677 8.230 -0.000 0.000 0.624 137 T N -0.115 114.474 114.554 0.057 0.000 2.883 137 T HA 0.687 5.035 4.350 -0.003 0.000 0.296 137 T C -2.457 172.255 174.700 0.020 0.000 1.117 137 T CA -1.206 60.942 62.100 0.080 0.000 1.006 137 T CB 1.896 70.857 68.868 0.155 0.000 1.191 137 T HN 0.415 8.655 8.240 -0.000 0.000 0.508 138 P HA 0.197 4.617 4.420 -0.000 0.000 0.245 138 P C -0.215 176.781 177.300 -0.506 0.000 1.212 138 P CA 0.393 63.317 63.100 -0.294 0.000 0.774 138 P CB -0.248 31.192 31.700 -0.433 0.000 0.999 139 Y N -1.763 118.568 120.300 0.052 0.000 2.612 139 Y HA 0.275 4.823 4.550 -0.003 0.000 0.250 139 Y C 0.475 176.437 175.900 0.104 0.000 1.175 139 Y CA -0.130 58.014 58.100 0.073 0.000 1.205 139 Y CB 0.118 38.625 38.460 0.078 0.000 1.201 139 Y HN -0.256 8.024 8.280 -0.000 0.000 0.532 140 T N 1.093 115.739 114.554 0.153 0.000 2.829 140 T HA 0.627 4.975 4.350 -0.003 0.000 0.280 140 T C -0.646 174.061 174.700 0.011 0.000 0.999 140 T CA -0.532 61.644 62.100 0.126 0.000 0.983 140 T CB 1.980 70.935 68.868 0.145 0.000 0.968 140 T HN -0.247 7.993 8.240 -0.000 0.000 0.446 141 V N 3.073 122.961 119.914 -0.044 0.000 2.487 141 V HA 0.345 4.463 4.120 -0.003 0.000 0.298 141 V C -0.510 175.574 176.094 -0.017 0.000 1.028 141 V CA -0.884 61.401 62.300 -0.025 0.000 0.860 141 V CB 1.637 33.475 31.823 0.025 0.000 0.991 141 V HN 0.920 9.110 8.190 -0.000 0.000 0.427 142 H N 3.367 122.369 119.070 -0.114 0.000 2.623 142 H HA 0.289 4.843 4.556 -0.003 0.000 0.299 142 H C -0.236 175.056 175.328 -0.059 0.000 1.052 142 H CA -0.363 55.624 56.048 -0.102 0.000 1.231 142 H CB 0.943 30.639 29.762 -0.110 0.000 1.389 142 H HN 0.773 9.053 8.280 -0.000 0.000 0.469 143 Y N 3.588 123.871 120.300 -0.027 0.000 2.301 143 Y HA 0.087 4.636 4.550 -0.002 0.000 0.295 143 Y C 1.850 177.740 175.900 -0.017 0.000 1.119 143 Y CA 1.483 59.527 58.100 -0.093 0.000 1.162 143 Y CB 0.434 38.821 38.460 -0.122 0.000 1.046 143 Y HN 0.658 8.938 8.280 -0.000 0.000 0.538 144 A N -1.248 121.711 122.820 0.231 0.000 1.944 144 A HA 0.249 4.567 4.320 -0.003 0.000 0.207 144 A C -0.493 177.484 177.584 0.656 0.000 1.265 144 A CA 1.071 53.401 52.037 0.487 0.000 0.712 144 A CB -0.228 19.092 19.000 0.533 0.000 0.915 144 A HN 0.510 8.660 8.150 -0.000 0.000 0.470 145 Y N -1.501 118.919 120.300 0.200 0.000 2.713 145 Y HA 0.601 5.149 4.550 -0.004 0.000 0.335 145 Y C -1.831 174.076 175.900 0.012 0.000 1.222 145 Y CA -1.670 56.549 58.100 0.199 0.000 1.061 145 Y CB 0.403 38.980 38.460 0.195 0.000 1.314 145 Y HN 0.277 8.557 8.280 -0.000 0.000 0.453 146 D N -1.283 119.097 120.400 -0.032 0.000 2.664 146 D HA 0.471 5.109 4.640 -0.003 0.000 0.292 146 D C -0.500 175.867 176.300 0.111 0.000 1.214 146 D CA -0.246 53.672 54.000 -0.137 0.000 0.932 146 D CB 1.068 41.858 40.800 -0.016 0.000 1.420 146 D HN 0.836 9.206 8.370 -0.000 0.000 0.471 150 L N 0.602 121.781 121.223 -0.073 0.000 2.017 150 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 150 L C 3.036 179.885 176.870 -0.035 0.000 1.073 150 L CA 1.639 56.467 54.840 -0.020 0.000 0.745 150 L CB -0.617 41.490 42.059 0.079 0.000 0.894 150 L HN 0.531 8.761 8.230 -0.000 0.000 0.432 151 A N 0.328 123.118 122.820 -0.050 0.000 1.883 151 A HA -0.241 4.077 4.320 -0.003 0.000 0.217 151 A C 2.343 179.876 177.584 -0.085 0.000 1.186 151 A CA 1.910 53.906 52.037 -0.068 0.000 0.624 151 A CB -0.421 18.520 19.000 -0.098 0.000 0.822 151 A HN 0.315 8.465 8.150 -0.000 0.000 0.444 152 K N -0.841 119.493 120.400 -0.110 0.000 2.097 152 K HA -0.071 4.247 4.320 -0.003 0.000 0.206 152 K C 2.099 178.637 176.600 -0.103 0.000 1.049 152 K CA 1.021 57.239 56.287 -0.115 0.000 0.933 152 K CB -0.362 32.050 32.500 -0.146 0.000 0.717 152 K HN 0.482 8.732 8.250 -0.000 0.000 0.442 153 G N 0.289 109.021 108.800 -0.114 0.000 2.547 153 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.214 153 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.214 153 G C 1.489 176.363 174.900 -0.044 0.000 1.254 153 G CA 1.081 46.123 45.100 -0.097 0.000 0.817 153 G HN 0.176 8.466 8.290 -0.000 0.000 0.551 154 T N 0.908 115.451 114.554 -0.018 0.000 2.812 154 T HA 0.040 4.389 4.350 -0.003 0.000 0.264 154 T C 2.470 177.243 174.700 0.122 0.000 1.042 154 T CA 1.350 63.476 62.100 0.043 0.000 1.140 154 T CB -0.612 68.291 68.868 0.059 0.000 0.870 154 T HN 0.347 8.587 8.240 -0.000 0.000 0.445 155 G N 1.547 110.400 108.800 0.089 0.000 2.459 155 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.217 155 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.217 155 G C 1.890 176.814 174.900 0.041 0.000 1.183 155 G CA 1.272 46.394 45.100 0.036 0.000 0.776 155 G HN 0.503 8.793 8.290 -0.000 0.000 0.552 156 S N 1.293 116.988 115.700 -0.007 0.000 2.359 156 S HA -0.087 4.381 4.470 -0.003 0.000 0.224 156 S C 2.802 177.423 174.600 0.036 0.000 1.035 156 S CA 1.464 59.661 58.200 -0.004 0.000 1.018 156 S CB -0.586 62.596 63.200 -0.031 0.000 0.876 156 S HN 0.637 8.947 8.310 -0.000 0.000 0.448 157 A N 1.156 123.998 122.820 0.037 0.000 1.902 157 A HA -0.061 4.257 4.320 -0.003 0.000 0.217 157 A C 2.385 180.011 177.584 0.071 0.000 1.181 157 A CA 1.675 53.734 52.037 0.037 0.000 0.623 157 A CB -0.957 18.052 19.000 0.015 0.000 0.818 157 A HN 0.347 8.497 8.150 -0.000 0.000 0.443 158 V N -0.446 119.549 119.914 0.135 0.000 2.358 158 V HA -0.208 3.910 4.120 -0.003 0.000 0.246 158 V C 2.578 178.787 176.094 0.192 0.000 1.047 158 V CA 1.876 64.271 62.300 0.160 0.000 1.035 158 V CB -0.694 31.267 31.823 0.230 0.000 0.658 158 V HN 0.371 8.561 8.190 -0.000 0.000 0.452 159 V N -0.145 119.926 119.914 0.262 0.000 2.343 159 V HA -0.286 3.832 4.120 -0.003 0.000 0.247 159 V C 2.376 178.534 176.094 0.108 0.000 1.051 159 V CA 2.060 64.488 62.300 0.214 0.000 1.036 159 V CB -0.724 31.187 31.823 0.147 0.000 0.654 159 V HN 0.530 8.720 8.190 -0.000 0.000 0.451 160 K N -0.354 120.089 120.400 0.072 0.000 2.280 160 K HA -0.156 4.163 4.320 -0.003 0.000 0.202 160 K C 1.952 178.572 176.600 0.033 0.000 1.047 160 K CA 1.034 57.345 56.287 0.040 0.000 0.942 160 K CB -0.136 32.378 32.500 0.023 0.000 0.739 160 K HN 0.536 8.786 8.250 -0.000 0.000 0.457 161 Q N -0.635 119.188 119.800 0.038 0.000 2.365 161 Q HA 0.050 4.388 4.340 -0.003 0.000 0.203 161 Q C 0.580 176.590 176.000 0.017 0.000 0.929 161 Q CA 0.388 56.202 55.803 0.020 0.000 0.948 161 Q CB 0.752 29.496 28.738 0.010 0.000 1.043 161 Q HN 0.514 8.784 8.270 -0.000 0.000 0.505 162 G N -0.027 108.793 108.800 0.033 0.000 2.159 162 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.227 162 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.227 162 G C 0.307 175.225 174.900 0.030 0.000 0.986 162 G CA -0.345 44.772 45.100 0.029 0.000 0.651 162 G HN 0.460 8.750 8.290 -0.000 0.000 0.523 163 G N 0.355 109.180 108.800 0.043 0.000 2.865 163 G HA2 0.497 4.455 3.960 -0.003 0.000 0.292 163 G HA3 0.497 4.455 3.960 -0.003 0.000 0.292 163 G C 0.957 175.968 174.900 0.184 0.000 0.800 163 G CA 0.183 45.288 45.100 0.009 0.000 1.838 163 G HN 0.220 8.510 8.290 -0.000 0.000 0.535 164 K N 0.581 121.065 120.400 0.140 0.000 2.202 164 K HA 0.040 4.358 4.320 -0.003 0.000 0.201 164 K C 1.597 178.375 176.600 0.296 0.000 1.051 164 K CA 0.675 57.087 56.287 0.208 0.000 0.977 164 K CB -0.078 32.489 32.500 0.111 0.000 0.792 164 K HN 0.553 8.803 8.250 -0.000 0.000 0.469 165 T N -1.285 113.388 114.554 0.198 0.000 2.795 165 T HA 0.515 4.863 4.350 -0.003 0.000 0.282 165 T C -0.766 174.043 174.700 0.182 0.000 0.980 165 T CA -0.769 61.460 62.100 0.214 0.000 1.012 165 T CB 0.848 69.782 68.868 0.111 0.000 0.936 165 T HN -0.014 8.226 8.240 -0.000 0.000 0.457 166 W N 2.517 123.789 121.300 -0.048 0.000 2.736 166 W HA 0.723 5.382 4.660 -0.003 0.000 0.335 166 W C -1.071 175.389 176.519 -0.098 0.000 1.059 166 W CA -1.456 55.788 57.345 -0.169 0.000 1.226 166 W CB 1.754 30.995 29.460 -0.365 0.000 1.416 166 W HN 0.714 8.894 8.180 -0.000 0.000 0.505 167 F N 2.765 122.648 119.950 -0.111 0.000 2.540 167 F HA 0.618 5.143 4.527 -0.003 0.000 0.317 167 F C -1.225 174.493 175.800 -0.138 0.000 1.104 167 F CA -1.418 56.558 58.000 -0.041 0.000 0.913 167 F CB 0.919 39.930 39.000 0.018 0.000 1.170 167 F HN 0.076 8.376 8.300 -0.000 0.000 0.450 168 F N 5.906 125.818 119.950 -0.063 0.000 2.404 168 F HA 0.505 5.029 4.527 -0.004 0.000 0.339 168 F C -0.584 175.320 175.800 0.173 0.000 1.105 168 F CA -0.881 57.169 58.000 0.084 0.000 1.087 168 F CB 1.509 40.501 39.000 -0.014 0.000 1.143 168 F HN 0.247 8.547 8.300 -0.000 0.000 0.491 169 L N 3.494 124.975 121.223 0.429 0.000 2.262 169 L HA 0.550 4.888 4.340 -0.003 0.000 0.288 169 L C -0.542 176.562 176.870 0.390 0.000 1.035 169 L CA 0.149 55.242 54.840 0.423 0.000 0.820 169 L CB 0.736 43.039 42.059 0.406 0.000 1.204 169 L HN 0.550 8.780 8.230 -0.000 0.000 0.424 170 T N 4.778 119.484 114.554 0.253 0.000 2.812 170 T HA 0.706 5.054 4.350 -0.003 0.000 0.282 170 T C -0.075 174.485 174.700 -0.233 0.000 0.990 170 T CA -0.326 61.809 62.100 0.059 0.000 0.960 170 T CB 1.446 70.296 68.868 -0.030 0.000 0.948 170 T HN 0.820 9.060 8.240 -0.000 0.000 0.438 171 A N 2.179 124.872 122.820 -0.212 0.000 2.488 171 A HA 0.267 4.585 4.320 -0.003 0.000 0.249 171 A C 0.595 178.156 177.584 -0.039 0.000 1.083 171 A CA -0.285 51.562 52.037 -0.316 0.000 0.768 171 A CB -0.070 19.160 19.000 0.383 0.000 1.017 171 A HN 0.780 8.930 8.150 -0.000 0.000 0.496 172 D N 2.107 122.482 120.400 -0.041 0.000 2.801 172 D HA 0.372 5.010 4.640 -0.003 0.000 0.232 172 D C -0.515 175.920 176.300 0.225 0.000 1.128 172 D CA 0.585 54.605 54.000 0.033 0.000 1.003 172 D CB -0.715 40.069 40.800 -0.026 0.000 1.110 172 D HN 0.472 8.842 8.370 -0.000 0.000 0.477 173 Y N -2.003 118.298 120.300 0.002 0.000 2.871 173 Y HA 0.554 5.102 4.550 -0.003 0.000 0.331 173 Y C 0.984 176.920 175.900 0.060 0.000 1.378 173 Y CA -0.827 57.300 58.100 0.044 0.000 1.079 173 Y CB 0.244 38.756 38.460 0.087 0.000 1.441 173 Y HN -0.217 8.063 8.280 -0.000 0.000 0.446 174 A N 0.852 123.659 122.820 -0.022 0.000 1.948 174 A HA -0.160 4.159 4.320 -0.003 0.000 0.220 174 A C 1.824 179.253 177.584 -0.258 0.000 1.177 174 A CA 2.250 54.223 52.037 -0.106 0.000 0.636 174 A CB -1.215 17.794 19.000 0.014 0.000 0.815 174 A HN 0.894 9.044 8.150 -0.000 0.000 0.449 175 F N 1.079 120.598 119.950 -0.719 0.000 2.075 175 F HA -0.018 4.507 4.527 -0.003 0.000 0.297 175 F C 2.326 177.912 175.800 -0.358 0.000 1.113 175 F CA 1.675 59.359 58.000 -0.527 0.000 1.218 175 F CB -0.940 37.688 39.000 -0.620 0.000 0.984 175 F HN 0.181 8.481 8.300 -0.000 0.000 0.472 176 G N 0.355 108.792 108.800 -0.605 0.000 2.446 176 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.217 176 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.217 176 G C 1.736 176.404 174.900 -0.387 0.000 1.168 176 G CA 0.998 45.836 45.100 -0.437 0.000 0.771 176 G HN 0.398 8.688 8.290 -0.000 0.000 0.551 177 K N 0.611 120.830 120.400 -0.302 0.000 2.097 177 K HA 0.104 4.422 4.320 -0.003 0.000 0.205 177 K C 2.931 179.372 176.600 -0.266 0.000 1.050 177 K CA 0.944 57.087 56.287 -0.241 0.000 0.938 177 K CB -0.190 32.214 32.500 -0.160 0.000 0.718 177 K HN 0.273 8.523 8.250 -0.000 0.000 0.442 178 A N 1.466 124.123 122.820 -0.272 0.000 1.898 178 A HA -0.128 4.190 4.320 -0.003 0.000 0.216 178 A C 2.108 179.521 177.584 -0.284 0.000 1.181 178 A CA 1.026 52.927 52.037 -0.227 0.000 0.620 178 A CB -0.473 18.435 19.000 -0.152 0.000 0.819 178 A HN 0.205 8.355 8.150 -0.000 0.000 0.442 179 L N -0.004 120.966 121.223 -0.422 0.000 2.056 179 L HA -0.120 4.218 4.340 -0.003 0.000 0.207 179 L C 2.289 178.931 176.870 -0.379 0.000 1.078 179 L CA 2.472 57.069 54.840 -0.404 0.000 0.749 179 L CB -0.627 41.058 42.059 -0.623 0.000 0.901 179 L HN 0.516 8.746 8.230 -0.000 0.000 0.433 180 E N 0.049 119.973 120.200 -0.461 0.000 2.077 180 E HA -0.299 4.049 4.350 -0.003 0.000 0.193 180 E C 2.169 178.382 176.600 -0.646 0.000 0.989 180 E CA 1.502 57.466 56.400 -0.726 0.000 0.800 180 E CB 0.036 29.344 29.700 -0.655 0.000 0.746 180 E HN 0.446 8.806 8.360 -0.000 0.000 0.452 181 K N 1.094 121.249 120.400 -0.408 0.000 2.025 181 K HA -0.095 4.224 4.320 -0.003 0.000 0.207 181 K C 1.736 178.181 176.600 -0.258 0.000 1.049 181 K CA 2.095 58.201 56.287 -0.302 0.000 0.933 181 K CB -0.466 31.906 32.500 -0.213 0.000 0.714 181 K HN 0.122 8.372 8.250 -0.000 0.000 0.438 182 N N -0.908 117.656 118.700 -0.227 0.000 2.120 182 N HA -0.122 4.616 4.740 -0.003 0.000 0.188 182 N C 1.362 176.757 175.510 -0.192 0.000 1.024 182 N CA 1.890 54.837 53.050 -0.172 0.000 0.852 182 N CB -0.136 38.271 38.487 -0.134 0.000 1.003 182 N HN 0.248 8.628 8.380 -0.000 0.000 0.424 183 T N 0.319 114.732 114.554 -0.236 0.000 2.812 183 T HA -0.022 4.326 4.350 -0.003 0.000 0.264 183 T C 2.062 176.611 174.700 -0.251 0.000 1.042 183 T CA 1.026 62.999 62.100 -0.211 0.000 1.140 183 T CB -0.355 68.469 68.868 -0.073 0.000 0.870 183 T HN 0.305 8.545 8.240 -0.000 0.000 0.445 184 A N 2.195 124.829 122.820 -0.309 0.000 1.908 184 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 184 A C 2.111 179.586 177.584 -0.181 0.000 1.181 184 A CA 1.848 53.761 52.037 -0.206 0.000 0.627 184 A CB -0.686 18.162 19.000 -0.254 0.000 0.818 184 A HN 0.340 8.490 8.150 -0.000 0.000 0.445 185 D N -0.417 119.876 120.400 -0.178 0.000 2.117 185 D HA -0.088 4.550 4.640 -0.003 0.000 0.198 185 D C 2.092 178.311 176.300 -0.136 0.000 0.982 185 D CA 1.381 55.300 54.000 -0.136 0.000 0.828 185 D CB -0.461 40.267 40.800 -0.120 0.000 0.967 185 D HN 0.211 8.581 8.370 -0.000 0.000 0.464 186 V N 0.710 120.528 119.914 -0.160 0.000 2.343 186 V HA -0.207 3.911 4.120 -0.003 0.000 0.247 186 V C 2.663 178.648 176.094 -0.182 0.000 1.051 186 V CA 1.011 63.218 62.300 -0.154 0.000 1.036 186 V CB -0.419 31.310 31.823 -0.156 0.000 0.654 186 V HN 0.052 8.242 8.190 -0.000 0.000 0.451 187 V N -0.163 119.581 119.914 -0.284 0.000 2.287 187 V HA -0.307 3.811 4.120 -0.003 0.000 0.248 187 V C 2.435 178.428 176.094 -0.169 0.000 1.053 187 V CA 2.217 64.314 62.300 -0.338 0.000 1.027 187 V CB -0.711 30.737 31.823 -0.625 0.000 0.646 187 V HN 0.548 8.738 8.190 -0.000 0.000 0.447 188 K N 0.195 120.514 120.400 -0.135 0.000 2.057 188 K HA -0.078 4.240 4.320 -0.003 0.000 0.206 188 K C 2.271 178.835 176.600 -0.060 0.000 1.050 188 K CA 1.386 57.628 56.287 -0.076 0.000 0.935 188 K CB -0.415 32.046 32.500 -0.065 0.000 0.715 188 K HN 0.468 8.718 8.250 -0.000 0.000 0.439 189 A N 1.774 124.551 122.820 -0.071 0.000 2.019 189 A HA -0.120 4.198 4.320 -0.003 0.000 0.219 189 A C 1.468 179.025 177.584 -0.044 0.000 1.164 189 A CA 1.253 53.257 52.037 -0.055 0.000 0.644 189 A CB -0.226 18.738 19.000 -0.060 0.000 0.805 189 A HN 0.253 8.403 8.150 -0.000 0.000 0.449 190 N N -0.800 117.870 118.700 -0.050 0.000 2.276 190 N HA 0.189 4.927 4.740 -0.003 0.000 0.212 190 N C 0.940 176.443 175.510 -0.011 0.000 1.127 190 N CA 0.829 53.862 53.050 -0.029 0.000 0.834 190 N CB 0.576 39.045 38.487 -0.030 0.000 1.014 190 N HN 0.609 8.989 8.380 -0.000 0.000 0.491 191 G N -0.076 108.716 108.800 -0.012 0.000 2.175 191 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.244 191 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.244 191 G C 0.490 175.401 174.900 0.019 0.000 0.982 191 G CA -0.019 45.083 45.100 0.004 0.000 0.641 191 G HN 0.539 8.829 8.290 -0.000 0.000 0.527 192 G N -0.744 108.064 108.800 0.013 0.000 2.557 192 G HA2 0.594 4.552 3.960 -0.003 0.000 0.292 192 G HA3 0.594 4.552 3.960 -0.003 0.000 0.292 192 G C -0.377 174.546 174.900 0.039 0.000 1.237 192 G CA -0.376 44.754 45.100 0.049 0.000 0.978 192 G HN 0.261 8.551 8.290 -0.000 0.000 0.498 193 K N -0.488 119.966 120.400 0.090 0.000 2.468 193 K HA 0.434 4.752 4.320 -0.003 0.000 0.252 193 K C -1.277 175.401 176.600 0.131 0.000 0.932 193 K CA -0.687 55.651 56.287 0.085 0.000 0.794 193 K CB 2.418 34.970 32.500 0.086 0.000 1.241 193 K HN 0.206 8.456 8.250 -0.000 0.000 0.428 194 V N 4.827 124.805 119.914 0.108 0.000 2.350 194 V HA 0.238 4.356 4.120 -0.003 0.000 0.276 194 V C 1.354 177.530 176.094 0.136 0.000 1.028 194 V CA -0.411 61.984 62.300 0.159 0.000 0.860 194 V CB 0.932 32.855 31.823 0.167 0.000 0.990 194 V HN 0.640 8.830 8.190 -0.000 0.000 0.453 195 L N 4.077 125.405 121.223 0.174 0.000 2.509 195 L HA 0.486 4.824 4.340 -0.003 0.000 0.222 195 L C 1.098 178.075 176.870 0.178 0.000 1.123 195 L CA 0.788 55.748 54.840 0.200 0.000 0.856 195 L CB -0.122 42.107 42.059 0.284 0.000 0.985 195 L HN 0.878 9.108 8.230 -0.000 0.000 0.456 196 G N 0.598 109.365 108.800 -0.054 0.000 2.359 196 G HA2 0.215 4.173 3.960 -0.003 0.000 0.293 196 G HA3 0.215 4.173 3.960 -0.003 0.000 0.293 196 G C -1.779 172.494 174.900 -1.045 0.000 1.300 196 G CA -0.500 44.369 45.100 -0.385 0.000 0.888 196 G HN 0.172 8.462 8.290 -0.000 0.000 0.541 197 E N -2.337 117.317 120.200 -0.909 0.000 2.430 197 E HA 0.719 5.067 4.350 -0.003 0.000 0.279 197 E C -1.866 174.642 176.600 -0.153 0.000 1.003 197 E CA -1.156 54.857 56.400 -0.644 0.000 0.801 197 E CB 2.523 32.118 29.700 -0.174 0.000 1.313 197 E HN 1.419 9.779 8.360 -0.000 0.000 0.459 198 V N 1.168 121.171 119.914 0.148 0.000 2.709 198 V HA 0.584 4.702 4.120 -0.003 0.000 0.308 198 V C -1.309 174.829 176.094 0.074 0.000 1.062 198 V CA -0.594 61.843 62.300 0.229 0.000 0.901 198 V CB 1.792 33.881 31.823 0.444 0.000 1.003 198 V HN 0.730 8.920 8.190 -0.000 0.000 0.425 199 R N 4.163 124.627 120.500 -0.061 0.000 2.474 199 R HA 0.673 5.011 4.340 -0.003 0.000 0.295 199 R C -1.094 174.972 176.300 -0.391 0.000 0.980 199 R CA -0.590 55.407 56.100 -0.171 0.000 0.934 199 R CB 1.456 31.685 30.300 -0.119 0.000 1.101 199 R HN 0.984 9.254 8.270 -0.000 0.000 0.469 200 H N -0.250 118.625 119.070 -0.325 0.000 2.821 200 H HA 0.523 5.077 4.556 -0.003 0.000 0.373 200 H C -2.860 172.404 175.328 -0.107 0.000 1.165 200 H CA -3.001 52.766 56.048 -0.467 0.000 1.154 200 H CB 1.265 30.766 29.762 -0.435 0.000 1.765 200 H HN 0.266 8.546 8.280 -0.000 0.000 0.549 201 P HA -0.018 4.402 4.420 -0.000 0.000 0.269 201 P C -0.213 177.221 177.300 0.223 0.000 1.209 201 P CA -0.561 62.599 63.100 0.099 0.000 0.776 201 P CB 0.573 32.322 31.700 0.082 0.000 0.876 202 L N 2.656 123.942 121.223 0.105 0.000 2.525 202 L HA 0.026 4.364 4.340 -0.003 0.000 0.278 202 L C 0.799 177.720 176.870 0.085 0.000 1.218 202 L CA 1.019 55.912 54.840 0.088 0.000 0.878 202 L CB -0.768 41.188 42.059 -0.170 0.000 1.127 202 L HN 0.546 8.776 8.230 -0.000 0.000 0.492 203 S N 2.702 118.476 115.700 0.123 0.000 3.706 203 S HA -0.183 4.285 4.470 -0.003 0.000 0.363 203 S C 0.351 174.993 174.600 0.070 0.000 0.999 203 S CA 0.367 58.614 58.200 0.078 0.000 1.143 203 S CB -1.303 61.891 63.200 -0.011 0.000 0.902 203 S HN 1.378 9.688 8.310 -0.000 0.000 0.476 204 A N 1.346 124.200 122.820 0.057 0.000 2.498 204 A HA 0.524 4.842 4.320 -0.003 0.000 0.239 204 A C 1.320 178.812 177.584 -0.154 0.000 1.068 204 A CA 0.456 52.407 52.037 -0.143 0.000 0.766 204 A CB 0.228 18.923 19.000 -0.508 0.000 1.003 204 A HN 1.534 9.684 8.150 -0.000 0.000 0.497 205 S N 0.273 115.913 115.700 -0.100 0.000 2.528 205 S HA 0.115 4.584 4.470 -0.003 0.000 0.219 205 S C 0.152 174.726 174.600 -0.045 0.000 0.985 205 S CA 0.686 58.865 58.200 -0.035 0.000 0.914 205 S CB 0.054 63.249 63.200 -0.008 0.000 0.776 205 S HN 0.764 9.074 8.310 -0.000 0.000 0.526 206 D N -0.592 119.710 120.400 -0.164 0.000 2.764 206 D HA 0.311 4.949 4.640 -0.003 0.000 0.227 206 D C -1.045 175.101 176.300 -0.256 0.000 1.347 206 D CA -0.576 53.360 54.000 -0.107 0.000 0.953 206 D CB 0.853 41.595 40.800 -0.097 0.000 1.476 206 D HN 0.044 8.414 8.370 -0.000 0.000 0.585 207 F N 1.373 121.362 119.950 0.065 0.000 2.727 207 F HA 0.012 4.537 4.527 -0.003 0.000 0.302 207 F C 2.491 178.267 175.800 -0.040 0.000 1.097 207 F CA 0.203 58.265 58.000 0.104 0.000 1.330 207 F CB 0.301 39.397 39.000 0.159 0.000 1.084 207 F HN 0.326 8.626 8.300 -0.000 0.000 0.578 208 S N -0.986 114.693 115.700 -0.036 0.000 2.359 208 S HA -0.208 4.260 4.470 -0.003 0.000 0.224 208 S C 2.229 176.657 174.600 -0.286 0.000 1.035 208 S CA 1.713 59.756 58.200 -0.261 0.000 1.018 208 S CB -0.874 61.957 63.200 -0.615 0.000 0.876 208 S HN 0.240 8.550 8.310 -0.000 0.000 0.448 209 S N 1.694 117.150 115.700 -0.406 0.000 2.368 209 S HA 0.063 4.531 4.470 -0.003 0.000 0.225 209 S C 1.526 176.022 174.600 -0.173 0.000 1.030 209 S CA 1.374 59.365 58.200 -0.349 0.000 0.999 209 S CB -0.637 62.297 63.200 -0.443 0.000 0.844 209 S HN 0.564 8.874 8.310 -0.000 0.000 0.459 210 F N 1.750 121.747 119.950 0.077 0.000 2.126 210 F HA -0.018 4.507 4.527 -0.003 0.000 0.299 210 F C 2.009 177.891 175.800 0.136 0.000 1.096 210 F CA 0.347 58.440 58.000 0.155 0.000 1.255 210 F CB -1.191 37.963 39.000 0.257 0.000 0.997 210 F HN 0.129 8.429 8.300 -0.000 0.000 0.479 211 L N -0.624 120.755 121.223 0.261 0.000 2.056 211 L HA -0.184 4.154 4.340 -0.003 0.000 0.207 211 L C 2.434 179.325 176.870 0.035 0.000 1.078 211 L CA 0.958 55.894 54.840 0.160 0.000 0.749 211 L CB -0.720 41.443 42.059 0.173 0.000 0.901 211 L HN 0.146 8.376 8.230 -0.000 0.000 0.433 212 L N -0.805 120.406 121.223 -0.020 0.000 2.083 212 L HA -0.240 4.098 4.340 -0.003 0.000 0.209 212 L C 2.677 179.497 176.870 -0.083 0.000 1.083 212 L CA 1.254 56.054 54.840 -0.066 0.000 0.752 212 L CB -0.457 41.539 42.059 -0.105 0.000 0.899 212 L HN 0.343 8.573 8.230 -0.000 0.000 0.433 213 Q N -0.377 119.392 119.800 -0.052 0.000 2.046 213 Q HA -0.183 4.155 4.340 -0.003 0.000 0.200 213 Q C 2.486 178.267 176.000 -0.365 0.000 0.975 213 Q CA 1.597 57.347 55.803 -0.090 0.000 0.836 213 Q CB -0.278 28.502 28.738 0.070 0.000 0.896 213 Q HN 0.562 8.832 8.270 -0.000 0.000 0.428 214 A N 1.005 123.592 122.820 -0.388 0.000 1.877 214 A HA -0.289 4.030 4.320 -0.003 0.000 0.216 214 A C 2.016 179.262 177.584 -0.564 0.000 1.186 214 A CA 1.733 53.263 52.037 -0.845 0.000 0.620 214 A CB -0.668 18.235 19.000 -0.162 0.000 0.822 214 A HN 0.414 8.564 8.150 -0.000 0.000 0.443 215 Q N 0.329 119.972 119.800 -0.261 0.000 2.124 215 Q HA -0.185 4.153 4.340 -0.003 0.000 0.202 215 Q C 2.176 178.074 176.000 -0.170 0.000 0.977 215 Q CA 2.194 57.898 55.803 -0.166 0.000 0.850 215 Q CB -0.233 28.452 28.738 -0.088 0.000 0.901 215 Q HN 0.785 9.055 8.270 -0.000 0.000 0.429 216 S N -0.207 115.382 115.700 -0.185 0.000 2.442 216 S HA -0.152 4.316 4.470 -0.003 0.000 0.236 216 S C 1.944 176.468 174.600 -0.127 0.000 1.007 216 S CA 1.262 59.383 58.200 -0.130 0.000 0.965 216 S CB -0.497 62.640 63.200 -0.104 0.000 0.773 216 S HN 0.515 8.825 8.310 -0.000 0.000 0.504 217 S N 1.772 117.341 115.700 -0.218 0.000 2.442 217 S HA -0.025 4.443 4.470 -0.003 0.000 0.236 217 S C 0.939 175.523 174.600 -0.027 0.000 1.007 217 S CA 0.915 59.056 58.200 -0.098 0.000 0.965 217 S CB -0.804 62.342 63.200 -0.091 0.000 0.773 217 S HN 0.663 8.973 8.310 -0.000 0.000 0.504 218 K N -0.184 120.181 120.400 -0.059 0.000 3.341 218 K HA -0.157 4.161 4.320 -0.003 0.000 0.305 218 K C 0.353 176.945 176.600 -0.014 0.000 1.270 218 K CA 0.426 56.694 56.287 -0.032 0.000 0.897 218 K CB -2.733 29.759 32.500 -0.013 0.000 1.264 218 K HN 0.692 8.942 8.250 -0.000 0.000 0.468 219 A N 1.282 124.102 122.820 0.000 0.000 2.520 219 A HA -0.000 4.318 4.320 -0.003 0.000 0.235 219 A C 1.393 178.944 177.584 -0.055 0.000 1.065 219 A CA 0.402 52.447 52.037 0.014 0.000 0.764 219 A CB 0.252 19.301 19.000 0.081 0.000 1.002 219 A HN 0.363 8.513 8.150 -0.000 0.000 0.502 220 Q N 0.014 119.765 119.800 -0.082 0.000 2.123 220 Q HA -0.000 4.338 4.340 -0.003 0.000 0.199 220 Q C -0.121 175.734 176.000 -0.242 0.000 0.966 220 Q CA 0.795 56.516 55.803 -0.136 0.000 0.845 220 Q CB 0.026 28.692 28.738 -0.119 0.000 0.907 220 Q HN 0.682 8.952 8.270 -0.000 0.000 0.439 221 I N 1.210 121.546 120.570 -0.390 0.000 2.436 221 I HA 0.208 4.376 4.170 -0.003 0.000 0.289 221 I C -0.825 174.995 176.117 -0.494 0.000 1.010 221 I CA -1.074 59.838 61.300 -0.646 0.000 1.098 221 I CB 1.582 38.707 38.000 -1.459 0.000 1.266 221 I HN 0.041 8.251 8.210 -0.000 0.000 0.434 222 L N 6.249 127.269 121.223 -0.340 0.000 2.259 222 L HA 0.611 4.949 4.340 -0.003 0.000 0.288 222 L C 0.497 177.245 176.870 -0.203 0.000 1.051 222 L CA 0.089 54.828 54.840 -0.168 0.000 0.824 222 L CB 0.799 42.823 42.059 -0.058 0.000 1.206 222 L HN 0.686 8.916 8.230 -0.000 0.000 0.429 223 G N 6.210 114.892 108.800 -0.196 0.000 2.351 223 G HA2 0.409 4.368 3.960 -0.003 0.000 0.287 223 G HA3 0.409 4.368 3.960 -0.003 0.000 0.287 223 G C -0.377 174.671 174.900 0.246 0.000 1.159 223 G CA -0.565 44.555 45.100 0.033 0.000 0.929 223 G HN 0.630 8.920 8.290 -0.000 0.000 0.435 224 L N 3.039 124.400 121.223 0.230 0.000 2.358 224 L HA 0.309 4.647 4.340 -0.003 0.000 0.274 224 L C 1.137 178.190 176.870 0.304 0.000 1.136 224 L CA -0.581 54.407 54.840 0.247 0.000 0.970 224 L CB 1.061 43.215 42.059 0.159 0.000 1.314 224 L HN 0.599 8.829 8.230 -0.000 0.000 0.427 225 A N 3.404 126.425 122.820 0.334 0.000 3.118 225 A HA 0.352 4.671 4.320 -0.003 0.000 0.256 225 A C 0.063 177.799 177.584 0.254 0.000 1.667 225 A CA -0.309 51.844 52.037 0.194 0.000 1.338 225 A CB -0.925 18.108 19.000 0.055 0.000 1.127 225 A HN 0.799 8.949 8.150 -0.000 0.000 0.634 226 N N -0.977 117.996 118.700 0.455 0.000 3.243 226 N HA 0.809 5.547 4.740 -0.003 0.000 0.280 226 N C -0.816 175.109 175.510 0.693 0.000 1.545 226 N CA -0.019 53.437 53.050 0.677 0.000 0.854 226 N CB 0.900 39.803 38.487 0.694 0.000 1.612 226 N HN 0.527 8.907 8.380 -0.000 0.000 0.577 227 A N -1.930 121.274 122.820 0.641 0.000 2.588 227 A HA 0.899 5.217 4.320 -0.003 0.000 0.290 227 A C 0.657 178.600 177.584 0.598 0.000 1.136 227 A CA -0.012 52.341 52.037 0.527 0.000 0.681 227 A CB 0.429 19.600 19.000 0.286 0.000 1.282 227 A HN 1.908 10.058 8.150 -0.000 0.000 0.421 228 G N 0.051 109.187 108.800 0.561 0.000 2.611 228 G HA2 0.028 3.986 3.960 -0.003 0.000 0.301 228 G HA3 0.028 3.986 3.960 -0.003 0.000 0.301 228 G C 1.448 176.545 174.900 0.328 0.000 1.233 228 G CA 1.402 46.816 45.100 0.524 0.000 0.993 228 G HN 2.288 10.578 8.290 -0.000 0.000 0.553 229 G N -0.645 108.290 108.800 0.226 0.000 2.462 229 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.220 229 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.220 229 G C 1.354 176.365 174.900 0.185 0.000 1.121 229 G CA 1.807 47.005 45.100 0.165 0.000 0.758 229 G HN 0.667 8.957 8.290 -0.000 0.000 0.559 230 D N 0.266 120.810 120.400 0.240 0.000 2.117 230 D HA -0.066 4.572 4.640 -0.003 0.000 0.198 230 D C 2.727 179.068 176.300 0.068 0.000 0.982 230 D CA 1.376 55.549 54.000 0.289 0.000 0.828 230 D CB -0.404 40.687 40.800 0.485 0.000 0.967 230 D HN 0.214 8.584 8.370 -0.000 0.000 0.464 231 T N 0.631 115.282 114.554 0.161 0.000 2.746 231 T HA -0.087 4.261 4.350 -0.003 0.000 0.267 231 T C 2.279 176.986 174.700 0.013 0.000 1.039 231 T CA 0.691 62.843 62.100 0.088 0.000 1.142 231 T CB -0.317 68.659 68.868 0.181 0.000 0.866 231 T HN -0.042 8.198 8.240 -0.000 0.000 0.444 232 V N 2.626 122.583 119.914 0.072 0.000 2.255 232 V HA -0.199 3.919 4.120 -0.003 0.000 0.247 232 V C 2.473 178.566 176.094 -0.003 0.000 1.051 232 V CA 1.647 63.978 62.300 0.052 0.000 1.018 232 V CB -0.602 31.281 31.823 0.099 0.000 0.641 232 V HN 0.449 8.639 8.190 -0.000 0.000 0.445 233 N N 0.355 119.061 118.700 0.009 0.000 2.166 233 N HA -0.105 4.633 4.740 -0.003 0.000 0.186 233 N C 1.845 177.249 175.510 -0.176 0.000 1.019 233 N CA 1.613 54.677 53.050 0.023 0.000 0.856 233 N CB -0.481 38.150 38.487 0.239 0.000 0.993 233 N HN 0.505 8.885 8.380 -0.000 0.000 0.426 234 A N 1.123 123.585 122.820 -0.596 0.000 1.898 234 A HA -0.034 4.284 4.320 -0.003 0.000 0.216 234 A C 2.329 179.756 177.584 -0.262 0.000 1.181 234 A CA 0.829 52.399 52.037 -0.778 0.000 0.620 234 A CB -0.571 17.858 19.000 -0.952 0.000 0.819 234 A HN 0.194 8.344 8.150 -0.000 0.000 0.442 235 I N -0.603 119.869 120.570 -0.163 0.000 2.252 235 I HA -0.249 3.919 4.170 -0.003 0.000 0.245 235 I C 2.435 178.512 176.117 -0.066 0.000 1.102 235 I CA 1.428 62.680 61.300 -0.081 0.000 1.385 235 I CB -0.239 37.732 38.000 -0.049 0.000 1.064 235 I HN 0.285 8.495 8.210 -0.000 0.000 0.414 236 K N 0.870 121.233 120.400 -0.062 0.000 2.057 236 K HA -0.153 4.165 4.320 -0.003 0.000 0.207 236 K C 2.237 178.785 176.600 -0.087 0.000 1.049 236 K CA 1.573 57.822 56.287 -0.062 0.000 0.931 236 K CB -0.261 32.217 32.500 -0.038 0.000 0.714 236 K HN 0.309 8.559 8.250 -0.000 0.000 0.440 237 A N 1.395 124.196 122.820 -0.033 0.000 1.930 237 A HA -0.054 4.264 4.320 -0.003 0.000 0.217 237 A C 2.354 179.973 177.584 0.059 0.000 1.175 237 A CA 1.619 53.672 52.037 0.027 0.000 0.627 237 A CB -0.584 18.595 19.000 0.298 0.000 0.815 237 A HN 0.321 8.471 8.150 -0.000 0.000 0.443 238 A N -0.012 122.835 122.820 0.045 0.000 1.933 238 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 238 A C 2.123 179.708 177.584 0.002 0.000 1.175 238 A CA 2.068 54.137 52.037 0.053 0.000 0.628 238 A CB -0.407 18.598 19.000 0.008 0.000 0.814 238 A HN 0.576 8.726 8.150 -0.000 0.000 0.444 239 K N -0.284 120.083 120.400 -0.056 0.000 2.031 239 K HA -0.143 4.175 4.320 -0.003 0.000 0.205 239 K C 2.088 178.610 176.600 -0.130 0.000 1.049 239 K CA 1.405 57.646 56.287 -0.077 0.000 0.939 239 K CB -0.214 32.238 32.500 -0.080 0.000 0.717 239 K HN 0.567 8.817 8.250 -0.000 0.000 0.438 240 E N -0.397 119.652 120.200 -0.252 0.000 2.085 240 E HA -0.178 4.170 4.350 -0.003 0.000 0.194 240 E C 0.709 177.035 176.600 -0.456 0.000 0.994 240 E CA 1.171 57.300 56.400 -0.451 0.000 0.801 240 E CB -0.005 29.225 29.700 -0.783 0.000 0.743 240 E HN 0.327 8.687 8.360 -0.000 0.000 0.453 241 F N -0.274 119.674 119.950 -0.005 0.000 2.645 241 F HA 0.333 4.858 4.527 -0.003 0.000 0.300 241 F C 1.386 177.178 175.800 -0.014 0.000 1.115 241 F CA 0.439 58.435 58.000 -0.007 0.000 1.355 241 F CB 0.555 39.554 39.000 -0.002 0.000 1.026 241 F HN 0.150 8.450 8.300 -0.000 0.000 0.536 242 G N 0.429 109.276 108.800 0.079 0.000 2.187 242 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.261 242 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.261 242 G C 1.192 176.115 174.900 0.039 0.000 1.000 242 G CA 0.606 45.730 45.100 0.041 0.000 0.718 242 G HN 0.292 8.582 8.290 -0.000 0.000 0.519 243 I N 1.661 122.266 120.570 0.058 0.000 2.286 243 I HA -0.142 4.026 4.170 -0.003 0.000 0.248 243 I C 2.933 179.047 176.117 -0.004 0.000 1.115 243 I CA 2.409 63.728 61.300 0.032 0.000 1.392 243 I CB -1.795 36.236 38.000 0.053 0.000 1.065 243 I HN 0.509 8.719 8.210 -0.000 0.000 0.418 244 T N -1.824 112.723 114.554 -0.011 0.000 3.072 244 T HA -0.083 4.265 4.350 -0.003 0.000 0.266 244 T C 1.658 176.339 174.700 -0.032 0.000 1.127 244 T CA 0.583 62.665 62.100 -0.030 0.000 1.107 244 T CB -0.292 68.555 68.868 -0.035 0.000 0.910 244 T HN 0.326 8.566 8.240 -0.000 0.000 0.513 245 K N 1.490 121.877 120.400 -0.022 0.000 2.211 245 K HA 0.020 4.338 4.320 -0.003 0.000 0.203 245 K C 1.439 178.023 176.600 -0.028 0.000 1.050 245 K CA 1.216 57.490 56.287 -0.022 0.000 0.945 245 K CB -0.085 32.407 32.500 -0.013 0.000 0.732 245 K HN 0.670 8.920 8.250 -0.000 0.000 0.451 249 L N 1.893 123.033 121.223 -0.138 0.000 2.305 249 L HA 0.531 4.869 4.340 -0.003 0.000 0.281 249 L C 0.272 177.054 176.870 -0.147 0.000 1.085 249 L CA -0.625 54.138 54.840 -0.128 0.000 0.813 249 L CB 1.294 43.311 42.059 -0.071 0.000 1.157 249 L HN 0.671 8.901 8.230 -0.000 0.000 0.436 250 A N 3.147 125.865 122.820 -0.170 0.000 2.322 250 A HA 0.684 5.002 4.320 -0.003 0.000 0.327 250 A C 0.201 177.802 177.584 0.028 0.000 1.394 250 A CA -0.497 51.484 52.037 -0.094 0.000 0.921 250 A CB 0.727 19.621 19.000 -0.176 0.000 1.153 250 A HN 0.759 8.909 8.150 -0.000 0.000 0.523 251 A N 3.309 126.148 122.820 0.031 0.000 2.527 251 A HA 0.486 4.804 4.320 -0.003 0.000 0.313 251 A C 0.874 178.506 177.584 0.080 0.000 1.410 251 A CA -0.381 51.694 52.037 0.063 0.000 1.060 251 A CB -0.467 18.557 19.000 0.040 0.000 1.137 251 A HN 0.894 9.044 8.150 -0.000 0.000 0.542 252 L N 1.541 122.849 121.223 0.141 0.000 2.217 252 L HA 0.018 4.356 4.340 -0.003 0.000 0.211 252 L C 0.705 177.637 176.870 0.102 0.000 1.107 252 L CA 0.742 55.669 54.840 0.145 0.000 0.783 252 L CB -0.319 41.862 42.059 0.205 0.000 0.919 252 L HN 0.639 8.869 8.230 -0.000 0.000 0.442 256 I N 0.937 121.943 120.570 0.727 0.000 2.264 256 I HA -0.303 3.865 4.170 -0.003 0.000 0.248 256 I C 1.379 177.931 176.117 0.723 0.000 1.111 256 I CA 2.036 63.767 61.300 0.718 0.000 1.382 256 I CB -0.160 38.273 38.000 0.723 0.000 1.060 256 I HN 0.665 8.875 8.210 -0.000 0.000 0.418 257 N N 0.944 120.022 118.700 0.629 0.000 2.223 257 N HA -0.197 4.542 4.740 -0.003 0.000 0.185 257 N C 1.319 177.093 175.510 0.440 0.000 1.016 257 N CA 1.516 54.898 53.050 0.553 0.000 0.863 257 N CB -0.249 38.487 38.487 0.414 0.000 0.983 257 N HN 0.391 8.771 8.380 -0.000 0.000 0.429 258 D N 0.193 120.837 120.400 0.406 0.000 2.117 258 D HA -0.061 4.577 4.640 -0.003 0.000 0.198 258 D C 2.014 178.436 176.300 0.203 0.000 0.982 258 D CA 0.711 54.887 54.000 0.293 0.000 0.828 258 D CB -0.403 40.577 40.800 0.300 0.000 0.967 258 D HN 0.075 8.445 8.370 -0.000 0.000 0.464 259 V N 1.413 121.458 119.914 0.219 0.000 2.343 259 V HA -0.248 3.871 4.120 -0.003 0.000 0.247 259 V C 2.466 178.484 176.094 -0.126 0.000 1.051 259 V CA 1.613 63.917 62.300 0.007 0.000 1.036 259 V CB -0.719 31.068 31.823 -0.060 0.000 0.654 259 V HN 0.371 8.561 8.190 -0.000 0.000 0.451 260 H N 0.579 119.641 119.070 -0.014 0.000 2.353 260 H HA -0.163 4.391 4.556 -0.003 0.000 0.300 260 H C 2.253 177.536 175.328 -0.074 0.000 1.090 260 H CA 1.926 57.917 56.048 -0.095 0.000 1.327 260 H CB 0.103 29.813 29.762 -0.087 0.000 1.383 260 H HN 0.407 8.687 8.280 -0.000 0.000 0.508 261 A N 0.868 123.743 122.820 0.092 0.000 1.902 261 A HA -0.080 4.238 4.320 -0.003 0.000 0.217 261 A C 2.755 180.315 177.584 -0.041 0.000 1.181 261 A CA 1.181 53.246 52.037 0.047 0.000 0.623 261 A CB -0.678 18.402 19.000 0.132 0.000 0.818 261 A HN 0.412 8.562 8.150 -0.000 0.000 0.443 262 L N -1.512 119.681 121.223 -0.049 0.000 2.209 262 L HA 0.260 4.598 4.340 -0.003 0.000 0.207 262 L C 1.280 178.077 176.870 -0.123 0.000 1.094 262 L CA 0.612 55.411 54.840 -0.068 0.000 0.790 262 L CB -0.548 41.484 42.059 -0.045 0.000 0.932 262 L HN 0.637 8.867 8.230 -0.000 0.000 0.447 263 G N -0.903 107.780 108.800 -0.195 0.000 2.719 263 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.686 263 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.686 263 G C 0.129 174.903 174.900 -0.210 0.000 1.201 263 G CA -0.462 44.504 45.100 -0.224 0.000 0.768 263 G HN 0.045 8.335 8.290 -0.000 0.000 0.629 264 L N 0.367 121.457 121.223 -0.222 0.000 2.141 264 L HA -0.037 4.301 4.340 -0.003 0.000 0.209 264 L C 2.770 179.586 176.870 -0.090 0.000 1.094 264 L CA 1.914 56.658 54.840 -0.159 0.000 0.763 264 L CB -0.256 41.736 42.059 -0.112 0.000 0.908 264 L HN 0.841 9.071 8.230 -0.000 0.000 0.437 265 E N 0.306 120.457 120.200 -0.082 0.000 2.085 265 E HA -0.204 4.144 4.350 -0.003 0.000 0.194 265 E C 1.970 178.535 176.600 -0.058 0.000 0.994 265 E CA 2.148 58.513 56.400 -0.059 0.000 0.801 265 E CB -0.126 29.540 29.700 -0.056 0.000 0.743 265 E HN 0.260 8.620 8.360 -0.000 0.000 0.453 266 T N -1.090 113.422 114.554 -0.069 0.000 2.896 266 T HA -0.067 4.281 4.350 -0.003 0.000 0.263 266 T C 1.688 176.356 174.700 -0.054 0.000 1.050 266 T CA 1.721 63.784 62.100 -0.061 0.000 1.140 266 T CB -0.326 68.503 68.868 -0.065 0.000 0.877 266 T HN 0.470 8.710 8.240 -0.000 0.000 0.457 267 T N 0.853 115.370 114.554 -0.061 0.000 3.060 267 T HA 0.103 4.451 4.350 -0.003 0.000 0.249 267 T C 0.891 175.576 174.700 -0.026 0.000 1.079 267 T CA -0.431 61.644 62.100 -0.042 0.000 1.013 267 T CB -0.437 68.404 68.868 -0.045 0.000 0.975 267 T HN 0.564 8.804 8.240 -0.000 0.000 0.518 268 Q N 1.387 121.169 119.800 -0.030 0.000 2.304 268 Q HA 0.312 4.650 4.340 -0.003 0.000 0.315 268 Q C 1.284 177.277 176.000 -0.010 0.000 1.075 268 Q CA 0.625 56.421 55.803 -0.011 0.000 0.988 268 Q CB -0.316 28.415 28.738 -0.013 0.000 1.146 268 Q HN 0.461 8.731 8.270 -0.000 0.000 0.383 269 G N 2.256 111.055 108.800 -0.001 0.000 2.225 269 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.254 269 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.254 269 G C 0.125 175.014 174.900 -0.019 0.000 0.988 269 G CA 0.065 45.160 45.100 -0.010 0.000 0.625 269 G HN 0.581 8.871 8.290 -0.000 0.000 0.527 270 L N 1.028 122.241 121.223 -0.016 0.000 2.485 270 L HA 0.388 4.726 4.340 -0.003 0.000 0.275 270 L C 0.827 177.676 176.870 -0.036 0.000 1.207 270 L CA -0.264 54.561 54.840 -0.025 0.000 0.855 270 L CB 1.020 43.070 42.059 -0.015 0.000 1.114 270 L HN -0.012 8.218 8.230 -0.000 0.000 0.485 271 V N 4.718 124.605 119.914 -0.044 0.000 2.427 271 V HA 0.459 4.578 4.120 -0.003 0.000 0.286 271 V C 0.011 176.062 176.094 -0.072 0.000 1.034 271 V CA -0.483 61.781 62.300 -0.060 0.000 0.893 271 V CB 1.534 33.335 31.823 -0.037 0.000 0.982 271 V HN 0.567 8.757 8.190 -0.000 0.000 0.452 272 L N 2.833 123.977 121.223 -0.132 0.000 2.403 272 L HA 0.914 5.252 4.340 -0.003 0.000 0.253 272 L C -0.396 176.372 176.870 -0.171 0.000 1.045 272 L CA -0.428 54.324 54.840 -0.147 0.000 0.845 272 L CB 2.169 44.118 42.059 -0.184 0.000 1.447 272 L HN 0.374 8.604 8.230 -0.000 0.000 0.411 273 T N 0.619 115.085 114.554 -0.147 0.000 2.792 273 T HA 0.683 5.031 4.350 -0.003 0.000 0.280 273 T C -1.313 173.304 174.700 -0.138 0.000 0.990 273 T CA -0.123 61.897 62.100 -0.133 0.000 0.960 273 T CB 1.108 69.909 68.868 -0.111 0.000 0.939 273 T HN 0.758 8.998 8.240 -0.000 0.000 0.439 274 D N 0.085 120.443 120.400 -0.070 0.000 2.570 274 D HA 0.385 5.023 4.640 -0.003 0.000 0.244 274 D C 0.808 177.225 176.300 0.195 0.000 1.178 274 D CA -0.528 53.492 54.000 0.033 0.000 0.881 274 D CB 2.108 42.949 40.800 0.067 0.000 1.453 274 D HN 0.408 8.778 8.370 -0.000 0.000 0.447 275 S N -0.133 115.767 115.700 0.332 0.000 2.524 275 S HA 0.228 4.696 4.470 -0.003 0.000 0.216 275 S C 0.317 175.266 174.600 0.581 0.000 0.987 275 S CA -0.328 58.126 58.200 0.423 0.000 0.909 275 S CB 0.567 64.109 63.200 0.571 0.000 0.781 275 S HN 0.516 8.826 8.310 -0.000 0.000 0.521 276 W N -0.368 121.144 121.300 0.353 0.000 3.298 276 W HA 0.610 5.268 4.660 -0.004 0.000 0.302 276 W C -2.415 174.330 176.519 0.377 0.000 1.255 276 W CA -1.147 56.359 57.345 0.268 0.000 1.196 276 W CB 0.653 30.285 29.460 0.288 0.000 1.364 276 W HN 0.053 8.233 8.180 -0.000 0.000 0.566 277 Y N 6.205 126.213 120.300 -0.486 0.000 2.479 277 Y HA 0.180 4.728 4.550 -0.003 0.000 0.338 277 Y C 0.962 176.174 175.900 -1.146 0.000 1.055 277 Y CA -1.067 56.751 58.100 -0.470 0.000 1.023 277 Y CB 1.104 39.409 38.460 -0.259 0.000 1.287 277 Y HN 0.694 8.974 8.280 -0.000 0.000 0.447 278 W N 4.039 124.654 121.300 -1.143 0.000 2.374 278 W HA -0.145 4.514 4.660 -0.002 0.000 0.288 278 W C -0.003 176.030 176.519 -0.809 0.000 1.218 278 W CA 1.417 58.176 57.345 -0.976 0.000 1.245 278 W CB -0.472 28.758 29.460 -0.384 0.000 1.126 278 W HN 0.563 8.743 8.180 -0.000 0.000 0.545 279 N N 1.233 118.684 118.700 -2.081 0.000 2.313 279 N HA 0.001 4.739 4.740 -0.003 0.000 0.207 279 N C 1.720 176.727 175.510 -0.838 0.000 1.141 279 N CA 0.066 52.147 53.050 -1.615 0.000 0.830 279 N CB -0.462 36.735 38.487 -2.150 0.000 1.008 279 N HN 0.176 8.556 8.380 -0.000 0.000 0.481 280 R N -0.028 120.053 120.500 -0.698 0.000 2.080 280 R HA -0.105 4.233 4.340 -0.003 0.000 0.236 280 R C -0.514 175.621 176.300 -0.275 0.000 1.137 280 R CA 2.046 57.895 56.100 -0.418 0.000 0.943 280 R CB 0.105 30.139 30.300 -0.443 0.000 0.846 280 R HN 0.362 8.632 8.270 -0.000 0.000 0.431 281 D N -3.742 116.529 120.400 -0.215 0.000 2.768 281 D HA -0.047 4.591 4.640 -0.003 0.000 0.327 281 D C -0.065 176.209 176.300 -0.043 0.000 1.302 281 D CA -0.707 53.231 54.000 -0.103 0.000 0.897 281 D CB 0.300 41.067 40.800 -0.055 0.000 1.420 281 D HN -0.048 8.322 8.370 -0.000 0.000 0.494 282 Q N -0.475 119.324 119.800 -0.001 0.000 2.084 282 Q HA -0.155 4.183 4.340 -0.003 0.000 0.202 282 Q C 1.855 177.907 176.000 0.087 0.000 0.978 282 Q CA 2.167 57.990 55.803 0.033 0.000 0.844 282 Q CB -0.355 28.402 28.738 0.031 0.000 0.898 282 Q HN 0.563 8.833 8.270 -0.000 0.000 0.426 283 A N 0.481 123.374 122.820 0.122 0.000 1.902 283 A HA -0.206 4.113 4.320 -0.003 0.000 0.217 283 A C 2.224 180.008 177.584 0.333 0.000 1.181 283 A CA 1.909 54.074 52.037 0.214 0.000 0.623 283 A CB -0.843 18.304 19.000 0.246 0.000 0.818 283 A HN 0.622 8.772 8.150 -0.000 0.000 0.443 284 S N -0.030 115.860 115.700 0.318 0.000 2.368 284 S HA -0.188 4.280 4.470 -0.003 0.000 0.224 284 S C 2.031 176.862 174.600 0.385 0.000 1.029 284 S CA 1.220 59.703 58.200 0.472 0.000 0.988 284 S CB -0.480 62.724 63.200 0.006 0.000 0.838 284 S HN 0.597 8.907 8.310 -0.000 0.000 0.462 285 R N 1.185 121.795 120.500 0.183 0.000 2.081 285 R HA -0.020 4.318 4.340 -0.003 0.000 0.235 285 R C 2.888 179.289 176.300 0.169 0.000 1.131 285 R CA 1.842 58.058 56.100 0.194 0.000 0.960 285 R CB -0.392 29.971 30.300 0.104 0.000 0.856 285 R HN 0.595 8.865 8.270 -0.000 0.000 0.436 286 Q N -0.908 118.977 119.800 0.141 0.000 2.119 286 Q HA -0.205 4.133 4.340 -0.003 0.000 0.201 286 Q C 1.744 177.769 176.000 0.042 0.000 0.972 286 Q CA 1.377 57.226 55.803 0.076 0.000 0.847 286 Q CB -0.153 28.626 28.738 0.068 0.000 0.903 286 Q HN 0.423 8.693 8.270 -0.000 0.000 0.433 287 W N 0.978 122.223 121.300 -0.092 0.000 2.358 287 W HA -0.152 4.506 4.660 -0.002 0.000 0.303 287 W C 2.209 178.661 176.519 -0.112 0.000 1.208 287 W CA 1.820 58.985 57.345 -0.300 0.000 1.274 287 W CB -0.241 28.732 29.460 -0.811 0.000 1.138 287 W HN 0.087 8.267 8.180 -0.000 0.000 0.515 288 A N -0.151 122.789 122.820 0.201 0.000 1.972 288 A HA -0.241 4.077 4.320 -0.003 0.000 0.219 288 A C 1.864 179.398 177.584 -0.083 0.000 1.169 288 A CA 1.802 53.905 52.037 0.110 0.000 0.635 288 A CB -0.767 18.426 19.000 0.323 0.000 0.810 288 A HN 0.536 8.687 8.150 -0.000 0.000 0.446 289 Q N -0.669 119.079 119.800 -0.087 0.000 2.124 289 Q HA -0.164 4.174 4.340 -0.003 0.000 0.202 289 Q C 2.324 178.244 176.000 -0.133 0.000 0.977 289 Q CA 1.518 57.258 55.803 -0.106 0.000 0.850 289 Q CB -0.146 28.541 28.738 -0.085 0.000 0.901 289 Q HN 0.649 8.919 8.270 -0.000 0.000 0.429 290 R N -0.690 119.651 120.500 -0.264 0.000 2.092 290 R HA -0.157 4.181 4.340 -0.003 0.000 0.231 290 R C 2.060 178.127 176.300 -0.388 0.000 1.119 290 R CA 1.307 57.209 56.100 -0.329 0.000 0.970 290 R CB -0.329 29.717 30.300 -0.423 0.000 0.864 290 R HN 0.306 8.576 8.270 -0.000 0.000 0.440 291 Y N 0.434 120.321 120.300 -0.688 0.000 2.145 291 Y HA -0.260 4.289 4.550 -0.003 0.000 0.286 291 Y C 2.041 177.742 175.900 -0.332 0.000 1.145 291 Y CA 1.588 59.324 58.100 -0.606 0.000 1.148 291 Y CB -0.292 37.684 38.460 -0.808 0.000 0.981 291 Y HN -0.029 8.251 8.280 -0.000 0.000 0.507 292 F N 0.439 120.236 119.950 -0.255 0.000 2.171 292 F HA -0.149 4.376 4.527 -0.003 0.000 0.300 292 F C 2.332 177.967 175.800 -0.274 0.000 1.090 292 F CA 1.357 59.196 58.000 -0.268 0.000 1.293 292 F CB -0.721 38.123 39.000 -0.260 0.000 1.013 292 F HN 0.087 8.387 8.300 -0.000 0.000 0.486 293 A N 0.259 123.046 122.820 -0.054 0.000 1.986 293 A HA -0.135 4.183 4.320 -0.003 0.000 0.220 293 A C 1.601 179.036 177.584 -0.250 0.000 1.171 293 A CA 1.179 53.151 52.037 -0.108 0.000 0.640 293 A CB -0.491 18.456 19.000 -0.089 0.000 0.811 293 A HN 0.237 8.387 8.150 -0.000 0.000 0.451 300 S N 0.201 115.965 115.700 0.107 0.000 2.624 300 S HA 0.277 4.745 4.470 -0.003 0.000 0.263 300 S C 1.426 176.247 174.600 0.367 0.000 1.287 300 S CA 0.402 58.792 58.200 0.317 0.000 0.990 300 S CB 0.736 64.044 63.200 0.181 0.000 0.950 300 S HN 0.702 9.012 8.310 -0.000 0.000 0.561 301 S N 1.013 117.046 115.700 0.555 0.000 2.419 301 S HA -0.087 4.382 4.470 -0.003 0.000 0.233 301 S C 1.760 176.488 174.600 0.213 0.000 1.016 301 S CA 1.002 59.531 58.200 0.548 0.000 0.974 301 S CB -1.015 62.606 63.200 0.702 0.000 0.786 301 S HN 0.670 8.980 8.310 -0.000 0.000 0.492 302 L N 0.580 121.869 121.223 0.110 0.000 2.109 302 L HA -0.059 4.279 4.340 -0.003 0.000 0.207 302 L C 3.030 179.846 176.870 -0.089 0.000 1.086 302 L CA 1.322 56.160 54.840 -0.004 0.000 0.760 302 L CB -0.686 41.308 42.059 -0.108 0.000 0.910 302 L HN 0.347 8.577 8.230 -0.000 0.000 0.437 303 Q N 0.071 119.819 119.800 -0.087 0.000 2.119 303 Q HA -0.131 4.207 4.340 -0.003 0.000 0.201 303 Q C 2.467 178.371 176.000 -0.160 0.000 0.972 303 Q CA 1.572 57.324 55.803 -0.084 0.000 0.847 303 Q CB -0.260 28.397 28.738 -0.136 0.000 0.903 303 Q HN 0.527 8.797 8.270 -0.000 0.000 0.433 304 A N 1.016 123.591 122.820 -0.408 0.000 1.877 304 A HA -0.139 4.179 4.320 -0.003 0.000 0.216 304 A C 2.286 179.346 177.584 -0.874 0.000 1.186 304 A CA 1.654 53.127 52.037 -0.939 0.000 0.620 304 A CB -0.928 17.091 19.000 -1.635 0.000 0.822 304 A HN 0.398 8.548 8.150 -0.000 0.000 0.443 305 A N -0.178 122.129 122.820 -0.854 0.000 1.969 305 A HA -0.153 4.165 4.320 -0.003 0.000 0.218 305 A C 1.744 178.965 177.584 -0.605 0.000 1.169 305 A CA 1.796 53.220 52.037 -1.022 0.000 0.635 305 A CB -0.550 18.080 19.000 -0.617 0.000 0.810 305 A HN 0.470 8.620 8.150 -0.000 0.000 0.445 306 D N -1.392 118.780 120.400 -0.380 0.000 2.104 306 D HA -0.186 4.453 4.640 -0.003 0.000 0.194 306 D C 1.681 177.810 176.300 -0.284 0.000 0.994 306 D CA 1.701 55.505 54.000 -0.327 0.000 0.830 306 D CB -0.500 40.128 40.800 -0.286 0.000 0.959 306 D HN 0.590 8.960 8.370 -0.000 0.000 0.452 307 Y N 1.403 121.534 120.300 -0.281 0.000 2.114 307 Y HA -0.237 4.311 4.550 -0.003 0.000 0.284 307 Y C 2.643 178.424 175.900 -0.199 0.000 1.143 307 Y CA 1.953 59.971 58.100 -0.137 0.000 1.135 307 Y CB -0.583 37.907 38.460 0.049 0.000 0.980 307 Y HN -0.107 8.173 8.280 -0.000 0.000 0.499 308 S N -0.700 114.965 115.700 -0.059 0.000 2.368 308 S HA -0.206 4.262 4.470 -0.003 0.000 0.225 308 S C 2.341 176.756 174.600 -0.309 0.000 1.030 308 S CA 1.874 60.011 58.200 -0.104 0.000 0.999 308 S CB -0.961 62.075 63.200 -0.273 0.000 0.844 308 S HN 0.732 9.042 8.310 -0.000 0.000 0.459 309 S N 0.627 115.867 115.700 -0.765 0.000 2.382 309 S HA -0.052 4.416 4.470 -0.003 0.000 0.228 309 S C 1.842 176.165 174.600 -0.462 0.000 1.027 309 S CA 1.325 58.871 58.200 -1.090 0.000 0.991 309 S CB -0.888 61.504 63.200 -1.348 0.000 0.823 309 S HN 0.355 8.665 8.310 -0.000 0.000 0.469 310 V N 2.301 121.988 119.914 -0.378 0.000 2.307 310 V HA -0.156 3.962 4.120 -0.003 0.000 0.245 310 V C 2.911 178.870 176.094 -0.225 0.000 1.045 310 V CA 2.272 64.409 62.300 -0.272 0.000 1.024 310 V CB -1.528 30.106 31.823 -0.315 0.000 0.651 310 V HN 0.614 8.804 8.190 -0.000 0.000 0.449 311 T N -0.454 113.963 114.554 -0.229 0.000 2.684 311 T HA -0.232 4.116 4.350 -0.003 0.000 0.267 311 T C 1.944 176.609 174.700 -0.059 0.000 1.036 311 T CA 2.198 64.233 62.100 -0.108 0.000 1.148 311 T CB -0.465 68.431 68.868 0.046 0.000 0.863 311 T HN 0.534 8.774 8.240 -0.000 0.000 0.436 312 T N 0.908 115.444 114.554 -0.029 0.000 2.708 312 T HA -0.117 4.231 4.350 -0.003 0.000 0.266 312 T C 1.610 176.307 174.700 -0.006 0.000 1.037 312 T CA 1.387 63.505 62.100 0.029 0.000 1.146 312 T CB -0.547 68.392 68.868 0.118 0.000 0.865 312 T HN 0.483 8.723 8.240 -0.000 0.000 0.435 313 Y N 1.802 122.011 120.300 -0.152 0.000 2.097 313 Y HA -0.134 4.414 4.550 -0.003 0.000 0.282 313 Y C 2.027 177.807 175.900 -0.199 0.000 1.152 313 Y CA 1.275 59.282 58.100 -0.155 0.000 1.136 313 Y CB -0.583 37.769 38.460 -0.180 0.000 0.975 313 Y HN 0.126 8.406 8.280 -0.000 0.000 0.498 314 L N -0.001 120.984 121.223 -0.396 0.000 2.083 314 L HA -0.222 4.116 4.340 -0.003 0.000 0.209 314 L C 2.405 178.989 176.870 -0.476 0.000 1.083 314 L CA 1.612 56.019 54.840 -0.721 0.000 0.752 314 L CB -0.501 40.734 42.059 -1.374 0.000 0.899 314 L HN 0.171 8.401 8.230 -0.000 0.000 0.433 315 K N -0.010 120.274 120.400 -0.193 0.000 2.097 315 K HA -0.110 4.209 4.320 -0.003 0.000 0.205 315 K C 2.239 178.809 176.600 -0.050 0.000 1.050 315 K CA 1.225 57.534 56.287 0.036 0.000 0.938 315 K CB -0.190 32.368 32.500 0.098 0.000 0.718 315 K HN 0.280 8.530 8.250 -0.000 0.000 0.442 316 A N 0.937 123.671 122.820 -0.142 0.000 1.898 316 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 316 A C 2.339 179.808 177.584 -0.193 0.000 1.181 316 A CA 1.192 53.144 52.037 -0.142 0.000 0.620 316 A CB -0.579 18.338 19.000 -0.137 0.000 0.819 316 A HN 0.051 8.201 8.150 -0.000 0.000 0.442 317 V N 0.085 119.787 119.914 -0.353 0.000 2.332 317 V HA -0.342 3.776 4.120 -0.003 0.000 0.248 317 V C 2.727 178.742 176.094 -0.131 0.000 1.055 317 V CA 2.396 64.516 62.300 -0.300 0.000 1.038 317 V CB -0.866 30.686 31.823 -0.452 0.000 0.651 317 V HN 0.767 8.957 8.190 -0.000 0.000 0.450 318 Q N -0.207 119.547 119.800 -0.076 0.000 2.061 318 Q HA -0.224 4.115 4.340 -0.003 0.000 0.204 318 Q C 2.257 178.259 176.000 0.004 0.000 0.984 318 Q CA 2.122 57.937 55.803 0.020 0.000 0.846 318 Q CB -0.298 28.520 28.738 0.132 0.000 0.902 318 Q HN 0.641 8.911 8.270 -0.000 0.000 0.421 319 A N 0.434 123.249 122.820 -0.008 0.000 1.898 319 A HA -0.043 4.275 4.320 -0.003 0.000 0.216 319 A C 2.205 179.780 177.584 -0.014 0.000 1.181 319 A CA 1.496 53.531 52.037 -0.005 0.000 0.620 319 A CB -0.816 18.182 19.000 -0.004 0.000 0.819 319 A HN 0.535 8.685 8.150 -0.000 0.000 0.442 320 A N -1.402 121.399 122.820 -0.032 0.000 2.066 320 A HA 0.337 4.655 4.320 -0.003 0.000 0.218 320 A C 2.002 179.575 177.584 -0.019 0.000 1.157 320 A CA 1.402 53.423 52.037 -0.027 0.000 0.670 320 A CB -1.179 17.797 19.000 -0.040 0.000 0.804 320 A HN 1.896 10.046 8.150 -0.000 0.000 0.453 321 G N -1.204 107.584 108.800 -0.019 0.000 2.258 321 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.274 321 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.274 321 G C 0.180 175.073 174.900 -0.012 0.000 1.021 321 G CA 1.087 46.181 45.100 -0.011 0.000 0.798 321 G HN 1.665 9.955 8.290 -0.000 0.000 0.507 322 S N -2.454 113.231 115.700 -0.025 0.000 2.565 322 S HA 0.627 5.095 4.470 -0.003 0.000 0.274 322 S C 0.846 175.429 174.600 -0.028 0.000 1.144 322 S CA 0.892 59.083 58.200 -0.015 0.000 0.849 322 S CB 0.698 63.897 63.200 -0.002 0.000 1.103 322 S HN 1.155 9.465 8.310 -0.000 0.000 0.455 323 T N -0.269 114.284 114.554 -0.002 0.000 3.107 323 T HA 0.210 4.558 4.350 -0.003 0.000 0.249 323 T C 0.376 175.113 174.700 0.062 0.000 1.096 323 T CA 0.307 62.425 62.100 0.029 0.000 1.012 323 T CB -0.636 68.270 68.868 0.063 0.000 0.977 323 T HN 0.650 8.890 8.240 -0.000 0.000 0.527 324 D N 2.466 122.893 120.400 0.045 0.000 2.531 324 D HA 0.030 4.668 4.640 -0.003 0.000 0.239 324 D C 1.550 177.905 176.300 0.093 0.000 1.144 324 D CA 0.619 54.655 54.000 0.060 0.000 0.869 324 D CB 0.904 41.731 40.800 0.046 0.000 1.160 324 D HN 0.252 8.622 8.370 -0.000 0.000 0.484 325 S N 2.690 118.466 115.700 0.127 0.000 2.382 325 S HA -0.210 4.258 4.470 -0.003 0.000 0.228 325 S C 1.362 176.104 174.600 0.237 0.000 1.027 325 S CA 0.996 59.322 58.200 0.209 0.000 0.991 325 S CB -0.095 63.239 63.200 0.222 0.000 0.823 325 S HN 0.574 8.884 8.310 -0.000 0.000 0.469 326 D N 1.803 122.326 120.400 0.204 0.000 2.117 326 D HA 0.000 4.638 4.640 -0.003 0.000 0.198 326 D C 1.993 178.329 176.300 0.060 0.000 0.982 326 D CA 1.117 55.191 54.000 0.123 0.000 0.828 326 D CB -0.260 40.604 40.800 0.106 0.000 0.967 326 D HN 0.519 8.889 8.370 -0.000 0.000 0.464 327 K N 0.407 120.840 120.400 0.056 0.000 2.097 327 K HA -0.017 4.301 4.320 -0.003 0.000 0.205 327 K C 1.078 177.688 176.600 0.017 0.000 1.050 327 K CA 0.297 56.600 56.287 0.027 0.000 0.938 327 K CB 0.125 32.637 32.500 0.020 0.000 0.718 327 K HN -0.034 8.216 8.250 -0.000 0.000 0.442 331 Q N 0.619 120.415 119.800 -0.007 0.000 2.084 331 Q HA -0.045 4.293 4.340 -0.003 0.000 0.202 331 Q C 2.066 178.067 176.000 0.000 0.000 0.978 331 Q CA 1.710 57.508 55.803 -0.008 0.000 0.844 331 Q CB -0.346 28.378 28.738 -0.022 0.000 0.898 331 Q HN 0.751 9.021 8.270 -0.000 0.000 0.426 332 L N 0.455 121.682 121.223 0.006 0.000 2.081 332 L HA -0.210 4.128 4.340 -0.003 0.000 0.212 332 L C 2.012 178.894 176.870 0.020 0.000 1.080 332 L CA 1.367 56.221 54.840 0.022 0.000 0.754 332 L CB -0.236 41.848 42.059 0.041 0.000 0.893 332 L HN 0.142 8.372 8.230 -0.000 0.000 0.433 333 K N -0.604 119.800 120.400 0.006 0.000 2.404 333 K HA 0.021 4.339 4.320 -0.003 0.000 0.194 333 K C 0.644 177.253 176.600 0.014 0.000 1.023 333 K CA -0.001 56.290 56.287 0.007 0.000 1.094 333 K CB 0.325 32.811 32.500 -0.023 0.000 0.841 333 K HN 0.169 8.419 8.250 -0.000 0.000 0.523 337 I N 1.466 122.073 120.570 0.061 0.000 2.359 337 I HA 0.281 4.449 4.170 -0.003 0.000 0.294 337 I C -0.808 175.338 176.117 0.049 0.000 0.987 337 I CA -0.111 61.220 61.300 0.052 0.000 1.225 337 I CB 1.294 39.304 38.000 0.016 0.000 1.366 337 I HN 0.458 8.668 8.210 -0.000 0.000 0.466 338 D N 5.813 126.252 120.400 0.064 0.000 2.319 338 D HA 0.274 4.912 4.640 -0.003 0.000 0.237 338 D C -1.571 174.781 176.300 0.087 0.000 1.353 338 D CA -0.340 53.699 54.000 0.064 0.000 0.992 338 D CB 0.871 41.710 40.800 0.065 0.000 1.368 338 D HN 0.601 8.971 8.370 -0.000 0.000 0.564 339 D N 0.266 120.709 120.400 0.072 0.000 2.812 339 D HA 0.166 4.804 4.640 -0.003 0.000 0.318 339 D C 1.055 177.398 176.300 0.072 0.000 1.234 339 D CA -0.755 53.315 54.000 0.117 0.000 0.989 339 D CB -0.420 40.473 40.800 0.155 0.000 1.442 339 D HN 0.133 8.503 8.370 -0.000 0.000 0.537 340 F N -0.551 119.467 119.950 0.113 0.000 2.333 340 F HA -0.020 4.506 4.527 -0.002 0.000 0.300 340 F C 1.709 177.663 175.800 0.257 0.000 1.083 340 F CA 0.544 58.637 58.000 0.155 0.000 1.395 340 F CB -0.668 38.403 39.000 0.118 0.000 1.056 340 F HN 0.351 8.651 8.300 -0.000 0.000 0.529 341 Y N 1.548 121.098 120.300 -1.250 0.000 2.201 341 Y HA 0.492 5.040 4.550 -0.003 0.000 0.292 341 Y C 0.883 176.679 175.900 -0.173 0.000 1.119 341 Y CA 0.218 57.779 58.100 -0.899 0.000 1.127 341 Y CB -0.357 37.378 38.460 -1.208 0.000 1.019 341 Y HN 0.180 8.460 8.280 -0.000 0.000 0.514 342 A N -0.207 122.433 122.820 -0.301 0.000 2.601 342 A HA 0.560 4.878 4.320 -0.003 0.000 0.291 342 A C -1.450 176.091 177.584 -0.072 0.000 1.075 342 A CA -1.035 50.858 52.037 -0.239 0.000 0.671 342 A CB 1.032 19.759 19.000 -0.455 0.000 1.277 342 A HN 0.127 8.277 8.150 -0.000 0.000 0.417 343 K N 0.148 120.539 120.400 -0.015 0.000 2.206 343 K HA 0.694 5.012 4.320 -0.003 0.000 0.264 343 K C 0.196 176.812 176.600 0.026 0.000 0.967 343 K CA 0.165 56.465 56.287 0.021 0.000 0.844 343 K CB 2.031 34.560 32.500 0.050 0.000 1.099 343 K HN 1.293 9.543 8.250 -0.000 0.000 0.441 344 G N 1.411 110.227 108.800 0.027 0.000 2.364 344 G HA2 0.321 4.280 3.960 -0.003 0.000 0.286 344 G HA3 0.321 4.280 3.960 -0.003 0.000 0.286 344 G C -2.174 172.792 174.900 0.110 0.000 1.241 344 G CA -0.654 44.477 45.100 0.052 0.000 0.887 344 G HN 0.563 8.853 8.290 -0.000 0.000 0.484 345 Y N -1.563 118.682 120.300 -0.091 0.000 2.638 345 Y HA 0.810 5.358 4.550 -0.004 0.000 0.335 345 Y C -1.114 174.702 175.900 -0.139 0.000 1.155 345 Y CA -1.740 56.304 58.100 -0.093 0.000 1.046 345 Y CB 1.097 39.517 38.460 -0.067 0.000 1.303 345 Y HN 0.539 8.819 8.280 -0.000 0.000 0.460 346 I N 3.507 124.038 120.570 -0.065 0.000 2.312 346 I HA 0.449 4.617 4.170 -0.003 0.000 0.290 346 I C 0.160 176.236 176.117 -0.068 0.000 1.008 346 I CA -0.617 60.579 61.300 -0.174 0.000 1.226 346 I CB 1.296 39.245 38.000 -0.085 0.000 1.371 346 I HN 0.660 8.870 8.210 -0.000 0.000 0.468 347 R N 3.496 123.850 120.500 -0.243 0.000 2.583 347 R HA 0.266 4.604 4.340 -0.003 0.000 0.268 347 R C 1.036 177.160 176.300 -0.294 0.000 1.101 347 R CA -0.263 55.734 56.100 -0.172 0.000 1.180 347 R CB 1.017 31.106 30.300 -0.351 0.000 1.128 347 R HN 0.665 8.935 8.270 -0.000 0.000 0.568 348 T N 0.862 115.179 114.554 -0.395 0.000 2.685 348 T HA -0.220 4.128 4.350 -0.003 0.000 0.268 348 T C 1.044 175.498 174.700 -0.410 0.000 1.034 348 T CA 1.993 63.851 62.100 -0.405 0.000 1.149 348 T CB -0.396 68.185 68.868 -0.478 0.000 0.860 348 T HN 0.793 9.033 8.240 -0.000 0.000 0.449 349 D N 0.633 120.660 120.400 -0.621 0.000 2.371 349 D HA 0.125 4.763 4.640 -0.003 0.000 0.221 349 D C 1.550 177.726 176.300 -0.206 0.000 0.986 349 D CA 0.946 54.742 54.000 -0.339 0.000 0.899 349 D CB -0.691 39.918 40.800 -0.317 0.000 0.902 349 D HN 0.576 8.946 8.370 -0.000 0.000 0.530 350 G N -0.775 107.884 108.800 -0.235 0.000 2.179 350 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.220 350 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.220 350 G C 0.517 175.314 174.900 -0.172 0.000 0.990 350 G CA 0.218 45.227 45.100 -0.152 0.000 0.646 350 G HN 0.455 8.745 8.290 -0.000 0.000 0.517 354 H N 2.365 121.341 119.070 -0.157 0.000 3.037 354 H HA 0.578 5.132 4.556 -0.003 0.000 0.355 354 H C -1.118 174.218 175.328 0.013 0.000 1.263 354 H CA -0.774 55.233 56.048 -0.067 0.000 1.129 354 H CB 1.149 30.832 29.762 -0.132 0.000 1.861 354 H HN 0.298 8.578 8.280 -0.000 0.000 0.546 361 V N 4.229 124.178 119.914 0.059 0.000 2.572 361 V HA 0.126 4.244 4.120 -0.003 0.000 0.291 361 V C 0.572 176.732 176.094 0.111 0.000 1.039 361 V CA 0.104 62.507 62.300 0.172 0.000 1.055 361 V CB 0.772 32.676 31.823 0.135 0.000 0.969 361 V HN 0.577 8.767 8.190 -0.000 0.000 0.482 362 K N 3.793 124.280 120.400 0.146 0.000 2.380 362 K HA 0.183 4.501 4.320 -0.003 0.000 0.267 362 K C 0.183 176.817 176.600 0.057 0.000 0.990 362 K CA -0.247 56.101 56.287 0.101 0.000 0.946 362 K CB 0.533 33.115 32.500 0.136 0.000 0.937 362 K HN 0.564 8.814 8.250 -0.000 0.000 0.491 363 K N 2.631 123.055 120.400 0.040 0.000 2.355 363 K HA -0.012 4.306 4.320 -0.003 0.000 0.270 363 K C -1.815 174.803 176.600 0.031 0.000 1.003 363 K CA -1.305 54.995 56.287 0.023 0.000 0.957 363 K CB 0.209 32.719 32.500 0.017 0.000 0.939 363 K HN 0.277 8.527 8.250 -0.000 0.000 0.482 364 P HA -0.278 4.142 4.420 -0.000 0.000 0.216 364 P C 1.165 178.485 177.300 0.033 0.000 1.154 364 P CA 1.612 64.724 63.100 0.020 0.000 0.865 364 P CB 0.100 31.799 31.700 -0.000 0.000 0.789 365 S N -1.118 114.597 115.700 0.024 0.000 2.474 365 S HA -0.115 4.353 4.470 -0.003 0.000 0.235 365 S C 1.636 176.257 174.600 0.034 0.000 0.997 365 S CA 0.931 59.146 58.200 0.025 0.000 0.949 365 S CB -0.936 62.274 63.200 0.016 0.000 0.766 365 S HN 0.271 8.581 8.310 -0.000 0.000 0.517 366 E N 1.040 121.266 120.200 0.044 0.000 2.447 366 E HA 0.171 4.519 4.350 -0.003 0.000 0.195 366 E C 0.221 176.865 176.600 0.073 0.000 1.028 366 E CA -0.058 56.373 56.400 0.052 0.000 0.876 366 E CB 0.322 30.053 29.700 0.053 0.000 0.885 366 E HN 0.411 8.771 8.360 -0.000 0.000 0.500 367 S N 0.760 116.514 115.700 0.089 0.000 2.465 367 S HA 0.143 4.611 4.470 -0.003 0.000 0.279 367 S C 0.603 175.263 174.600 0.100 0.000 1.201 367 S CA -0.401 57.875 58.200 0.126 0.000 1.053 367 S CB 0.572 63.874 63.200 0.171 0.000 0.953 367 S HN 0.048 8.358 8.310 -0.000 0.000 0.488 368 K N 2.567 123.027 120.400 0.100 0.000 2.354 368 K HA 0.180 4.498 4.320 -0.003 0.000 0.194 368 K C 0.343 176.993 176.600 0.083 0.000 1.038 368 K CA 0.138 56.471 56.287 0.077 0.000 1.052 368 K CB 0.300 32.837 32.500 0.061 0.000 0.861 368 K HN 0.794 9.044 8.250 -0.000 0.000 0.535 369 E N 0.149 120.418 120.200 0.115 0.000 2.447 369 E HA 0.303 4.651 4.350 -0.003 0.000 0.279 369 E C -3.222 173.454 176.600 0.127 0.000 1.053 369 E CA -2.483 53.982 56.400 0.108 0.000 0.840 369 E CB 0.627 30.395 29.700 0.115 0.000 1.409 369 E HN -0.309 8.051 8.360 -0.000 0.000 0.461 370 P HA 0.027 4.447 4.420 -0.000 0.000 0.268 370 P C -0.686 176.704 177.300 0.151 0.000 1.205 370 P CA 0.607 63.754 63.100 0.078 0.000 0.771 370 P CB -0.049 31.712 31.700 0.101 0.000 0.858 371 W N -0.292 120.894 121.300 -0.190 0.000 2.589 371 W HA -0.202 4.456 4.660 -0.004 0.000 0.272 371 W C 0.187 176.453 176.519 -0.423 0.000 1.060 371 W CA 0.531 57.474 57.345 -0.670 0.000 0.533 371 W CB -2.423 26.727 29.460 -0.517 0.000 2.084 371 W HN 0.323 8.503 8.180 -0.000 0.000 1.371 372 D N 0.435 120.905 120.400 0.116 0.000 2.470 372 D HA 0.117 4.755 4.640 -0.003 0.000 0.226 372 D C 0.592 177.063 176.300 0.286 0.000 1.196 372 D CA 0.285 54.432 54.000 0.244 0.000 0.979 372 D CB -0.052 40.886 40.800 0.229 0.000 1.059 372 D HN 0.107 8.477 8.370 -0.000 0.000 0.515 373 Y N 1.945 122.353 120.300 0.181 0.000 2.444 373 Y HA 0.213 4.761 4.550 -0.003 0.000 0.252 373 Y C -0.351 175.547 175.900 -0.003 0.000 1.091 373 Y CA -0.317 57.763 58.100 -0.034 0.000 1.276 373 Y CB -0.072 38.221 38.460 -0.278 0.000 1.170 373 Y HN 0.220 8.500 8.280 -0.000 0.000 0.517 374 Y N 0.609 120.956 120.300 0.078 0.000 2.446 374 Y HA 0.540 5.089 4.550 -0.003 0.000 0.345 374 Y C -0.065 175.768 175.900 -0.111 0.000 0.984 374 Y CA -2.386 55.603 58.100 -0.185 0.000 1.058 374 Y CB 1.415 39.453 38.460 -0.703 0.000 1.220 374 Y HN -0.301 7.979 8.280 -0.000 0.000 0.455 375 K N 1.879 122.328 120.400 0.082 0.000 2.244 375 K HA 0.566 4.884 4.320 -0.003 0.000 0.260 375 K C -1.133 175.447 176.600 -0.033 0.000 0.951 375 K CA -0.930 55.370 56.287 0.022 0.000 0.826 375 K CB 2.200 34.715 32.500 0.025 0.000 1.108 375 K HN 0.320 8.570 8.250 -0.000 0.000 0.433 376 V N 4.118 124.010 119.914 -0.036 0.000 2.439 376 V HA -0.025 4.093 4.120 -0.003 0.000 0.271 376 V C 1.188 177.270 176.094 -0.020 0.000 1.040 376 V CA -0.011 62.265 62.300 -0.040 0.000 1.002 376 V CB 1.038 32.841 31.823 -0.034 0.000 1.000 376 V HN 0.672 8.862 8.190 -0.000 0.000 0.477 377 V N 4.098 123.997 119.914 -0.024 0.000 2.500 377 V HA 0.341 4.459 4.120 -0.003 0.000 0.243 377 V C 0.848 176.940 176.094 -0.004 0.000 1.039 377 V CA 1.468 63.758 62.300 -0.017 0.000 1.053 377 V CB 0.039 31.845 31.823 -0.028 0.000 0.695 377 V HN 0.952 9.142 8.190 -0.000 0.000 0.463 378 A N -1.188 121.637 122.820 0.008 0.000 2.594 378 A HA 0.627 4.945 4.320 -0.003 0.000 0.296 378 A C -0.551 177.063 177.584 0.050 0.000 1.061 378 A CA -0.352 51.694 52.037 0.015 0.000 0.689 378 A CB 1.204 20.196 19.000 -0.013 0.000 1.280 378 A HN 0.036 8.186 8.150 -0.000 0.000 0.406 379 T N 2.079 116.666 114.554 0.056 0.000 2.744 379 T HA 0.532 4.880 4.350 -0.003 0.000 0.291 379 T C -0.133 174.513 174.700 -0.089 0.000 0.957 379 T CA 0.202 62.322 62.100 0.035 0.000 1.002 379 T CB 0.030 68.975 68.868 0.129 0.000 0.919 379 T HN 0.395 8.635 8.240 -0.000 0.000 0.468 380 I N 6.021 126.465 120.570 -0.210 0.000 2.304 380 I HA 0.290 4.458 4.170 -0.003 0.000 0.291 380 I C -2.147 173.852 176.117 -0.197 0.000 1.018 380 I CA -2.545 58.642 61.300 -0.189 0.000 1.260 380 I CB 1.097 38.964 38.000 -0.222 0.000 1.390 380 I HN 0.310 8.520 8.210 -0.000 0.000 0.475 381 P HA 0.037 4.457 4.420 -0.000 0.000 0.268 381 P C 1.058 178.320 177.300 -0.064 0.000 1.205 381 P CA 0.005 63.063 63.100 -0.070 0.000 0.771 381 P CB 0.879 32.566 31.700 -0.022 0.000 0.858 382 G N 2.670 111.459 108.800 -0.018 0.000 2.469 382 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.220 382 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.220 382 G C 1.151 176.150 174.900 0.166 0.000 1.136 382 G CA 0.461 45.612 45.100 0.085 0.000 0.759 382 G HN 0.466 8.756 8.290 -0.000 0.000 0.562 383 E N 0.468 120.738 120.200 0.117 0.000 2.204 383 E HA -0.118 4.230 4.350 -0.003 0.000 0.195 383 E C 2.523 179.175 176.600 0.086 0.000 0.990 383 E CA 0.861 57.341 56.400 0.132 0.000 0.821 383 E CB -0.177 29.595 29.700 0.121 0.000 0.750 383 E HN 0.625 8.985 8.360 -0.000 0.000 0.477 384 Q N -0.359 119.453 119.800 0.021 0.000 2.354 384 Q HA 0.126 4.465 4.340 -0.003 0.000 0.203 384 Q C 1.968 177.916 176.000 -0.086 0.000 0.933 384 Q CA 0.762 56.550 55.803 -0.024 0.000 0.901 384 Q CB 0.215 28.926 28.738 -0.045 0.000 1.007 384 Q HN 0.185 8.455 8.270 -0.000 0.000 0.495 385 A N 0.140 122.862 122.820 -0.163 0.000 1.975 385 A HA 0.064 4.382 4.320 -0.003 0.000 0.215 385 A C 0.448 177.735 177.584 -0.495 0.000 1.170 385 A CA 0.603 52.394 52.037 -0.411 0.000 0.656 385 A CB 0.095 18.686 19.000 -0.682 0.000 0.821 385 A HN 0.149 8.299 8.150 -0.000 0.000 0.449 386 F N -0.351 119.563 119.950 -0.062 0.000 2.450 386 F HA 0.393 4.917 4.527 -0.004 0.000 0.328 386 F C 0.963 176.774 175.800 0.019 0.000 1.068 386 F CA -0.644 57.334 58.000 -0.037 0.000 1.007 386 F CB 0.593 39.554 39.000 -0.064 0.000 1.251 386 F HN -0.230 8.070 8.300 -0.000 0.000 0.492 387 T N 1.024 115.734 114.554 0.259 0.000 2.891 387 T HA 0.136 4.484 4.350 -0.003 0.000 0.296 387 T C 0.359 175.216 174.700 0.262 0.000 1.025 387 T CA 0.014 62.237 62.100 0.205 0.000 1.149 387 T CB -0.189 68.811 68.868 0.220 0.000 1.007 387 T HN 0.719 8.959 8.240 -0.000 0.000 0.528 388 T N 0.656 115.306 114.554 0.159 0.000 2.874 388 T HA 0.324 4.672 4.350 -0.003 0.000 0.281 388 T C 1.362 176.041 174.700 -0.034 0.000 0.994 388 T CA -0.999 61.180 62.100 0.131 0.000 1.015 388 T CB 1.141 70.033 68.868 0.039 0.000 1.028 388 T HN 0.563 8.803 8.240 -0.000 0.000 0.523 389 K N 0.016 120.240 120.400 -0.294 0.000 2.103 389 K HA -0.184 4.134 4.320 -0.003 0.000 0.207 389 K C 2.653 178.951 176.600 -0.502 0.000 1.048 389 K CA 1.585 57.300 56.287 -0.955 0.000 0.930 389 K CB -0.413 31.510 32.500 -0.962 0.000 0.716 389 K HN 0.601 8.851 8.250 -0.000 0.000 0.444 390 Q N 1.043 120.686 119.800 -0.263 0.000 2.170 390 Q HA -0.166 4.172 4.340 -0.003 0.000 0.203 390 Q C 1.396 177.317 176.000 -0.132 0.000 0.976 390 Q CA 2.020 57.720 55.803 -0.171 0.000 0.858 390 Q CB -0.294 28.380 28.738 -0.106 0.000 0.907 390 Q HN 0.787 9.057 8.270 -0.000 0.000 0.433 391 E N -1.292 118.846 120.200 -0.104 0.000 2.498 391 E HA 0.140 4.488 4.350 -0.003 0.000 0.203 391 E C 0.581 177.163 176.600 -0.030 0.000 1.013 391 E CA 0.290 56.656 56.400 -0.056 0.000 0.927 391 E CB 0.088 29.771 29.700 -0.028 0.000 1.012 391 E HN 0.279 8.639 8.360 -0.000 0.000 0.482 392 T N 1.080 115.604 114.554 -0.049 0.000 2.932 392 T HA 0.088 4.436 4.350 -0.003 0.000 0.312 392 T C 0.396 175.115 174.700 0.030 0.000 1.071 392 T CA -0.029 62.097 62.100 0.044 0.000 1.128 392 T CB 0.570 69.495 68.868 0.096 0.000 0.984 392 T HN 0.137 8.377 8.240 -0.000 0.000 0.549 393 R N 2.295 122.835 120.500 0.068 0.000 2.546 393 R HA 0.272 4.610 4.340 -0.003 0.000 0.320 393 R C 0.143 176.489 176.300 0.077 0.000 1.021 393 R CA -0.239 55.890 56.100 0.048 0.000 1.088 393 R CB -0.223 30.094 30.300 0.030 0.000 1.278 393 R HN 0.490 8.760 8.270 -0.000 0.000 0.557 394 c N 0.941 119.622 118.600 0.135 0.000 2.322 394 c HA 0.515 5.083 4.570 -0.003 0.000 0.343 394 c C 1.829 176.006 174.090 0.144 0.000 1.190 394 c CA -0.474 55.949 56.329 0.157 0.000 1.704 394 c CB -0.638 42.014 42.510 0.237 0.000 2.293 394 c HN 0.703 8.933 8.230 -0.000 0.000 0.523 395 A N 5.042 127.917 122.820 0.093 0.000 2.121 395 A HA 0.009 4.327 4.320 -0.003 0.000 0.218 395 A C 1.771 179.409 177.584 0.090 0.000 1.154 395 A CA 1.167 53.247 52.037 0.072 0.000 0.679 395 A CB -0.253 18.775 19.000 0.048 0.000 0.795 395 A HN 0.926 9.076 8.150 -0.000 0.000 0.458 396 L N -2.408 118.882 121.223 0.112 0.000 2.554 396 L HA 0.034 4.372 4.340 -0.003 0.000 0.226 396 L C 0.830 177.816 176.870 0.193 0.000 1.137 396 L CA -0.255 54.650 54.840 0.109 0.000 0.863 396 L CB -0.022 42.075 42.059 0.063 0.000 0.985 396 L HN 0.597 8.827 8.230 -0.000 0.000 0.451 397 W N 3.095 124.396 121.300 0.001 0.000 2.175 397 W HA 0.400 5.059 4.660 -0.003 0.000 0.350 397 W C 0.309 176.830 176.519 0.003 0.000 0.877 397 W CA -1.413 55.934 57.345 0.003 0.000 1.544 397 W CB -0.313 29.151 29.460 0.007 0.000 1.585 397 W HN -0.175 8.005 8.180 -0.000 0.000 0.347 398 K N 0.000 120.525 120.400 0.208 0.000 2.780 398 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 398 K CA 0.000 56.322 56.287 0.059 0.000 0.838 398 K CB 0.000 32.535 32.500 0.058 0.000 1.064 398 K HN 0.000 8.250 8.250 -0.000 0.000 0.543