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 2buf_1_D DATA FIRST_RESID 2 DATA SEQUENCE TLSRDDAAQV AKVLSEALPY IRRFVGKTLV IKYGGNAMES EELKAGFARD DATA SEQUENCE VVLMKAVGIN PVVVHGGGPQ IGDLLKRLSI ESHFIDGMRV TDAATMDVVE DATA SEQUENCE MVLGGQVNKD IVNLINRHGG SAIGLTGKDA ELIRAKKLTV TRQTXXXXKP DATA SEQUENCE EIIDIGHVGE VTGVNVGLLN MLVKGDFIPV IAPIGVGSNG ESYNINADLV DATA SEQUENCE AGKVAEALKA EKLMLLTNIA GLMDKQGQVL TGLSTEQVNE LIADGTIYGG DATA SEQUENCE MLPKIRCALE AVQGGVTSAH IIDGRVPNAV LLEIFTDSGV GTLISNRKR 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 2 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2 T C 0.000 174.698 174.700 -0.003 0.000 1.109 2 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 2 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 3 L N 2.404 123.626 121.223 -0.001 0.000 2.352 3 L HA 1.012 5.350 4.340 -0.004 0.000 0.269 3 L C 0.301 177.173 176.870 0.003 0.000 1.034 3 L CA -0.764 54.077 54.840 0.002 0.000 0.806 3 L CB 1.724 43.784 42.059 0.002 0.000 1.244 3 L HN 0.487 8.717 8.230 -0.000 0.000 0.447 4 S N 0.580 116.283 115.700 0.005 0.000 2.753 4 S HA 0.710 5.177 4.470 -0.004 0.000 0.302 4 S C 0.035 174.639 174.600 0.007 0.000 1.104 4 S CA -0.856 57.348 58.200 0.006 0.000 0.968 4 S CB 1.948 65.153 63.200 0.009 0.000 1.278 4 S HN 0.769 9.079 8.310 -0.000 0.000 0.549 5 R N 0.162 120.667 120.500 0.007 0.000 4.528 5 R HA 0.326 4.664 4.340 -0.004 0.000 0.121 5 R C 1.326 177.631 176.300 0.009 0.000 0.727 5 R CA -0.181 55.923 56.100 0.007 0.000 0.977 5 R CB -1.017 29.286 30.300 0.006 0.000 1.506 5 R HN 0.502 8.772 8.270 -0.000 0.000 0.428 6 D N 1.661 122.066 120.400 0.008 0.000 2.190 6 D HA -0.148 4.490 4.640 -0.004 0.000 0.200 6 D C -0.014 176.293 176.300 0.012 0.000 0.992 6 D CA 1.545 55.551 54.000 0.009 0.000 0.854 6 D CB 0.088 40.893 40.800 0.009 0.000 0.936 6 D HN 0.368 8.738 8.370 -0.000 0.000 0.462 7 D N -0.790 119.618 120.400 0.013 0.000 2.395 7 D HA 0.132 4.769 4.640 -0.004 0.000 0.226 7 D C 1.180 177.491 176.300 0.019 0.000 1.146 7 D CA -0.065 53.945 54.000 0.017 0.000 0.830 7 D CB 0.447 41.257 40.800 0.017 0.000 0.958 7 D HN 0.103 8.473 8.370 -0.000 0.000 0.501 8 A N 0.670 123.499 122.820 0.016 0.000 1.997 8 A HA 0.398 4.716 4.320 -0.004 0.000 0.212 8 A C 2.292 179.886 177.584 0.018 0.000 1.178 8 A CA 0.819 52.866 52.037 0.016 0.000 0.698 8 A CB -0.221 18.786 19.000 0.012 0.000 0.842 8 A HN 0.277 8.427 8.150 -0.000 0.000 0.458 9 A N -0.571 122.258 122.820 0.015 0.000 1.972 9 A HA -0.148 4.170 4.320 -0.004 0.000 0.219 9 A C 2.083 179.679 177.584 0.019 0.000 1.169 9 A CA 1.594 53.640 52.037 0.015 0.000 0.635 9 A CB -0.334 18.674 19.000 0.012 0.000 0.810 9 A HN 0.464 8.614 8.150 -0.000 0.000 0.446 10 Q N -0.513 119.300 119.800 0.023 0.000 2.096 10 Q HA -0.034 4.304 4.340 -0.004 0.000 0.197 10 Q C 2.332 178.355 176.000 0.039 0.000 0.964 10 Q CA 1.305 57.125 55.803 0.030 0.000 0.838 10 Q CB -0.994 27.762 28.738 0.030 0.000 0.906 10 Q HN 0.433 8.703 8.270 -0.000 0.000 0.444 11 V N 1.837 121.775 119.914 0.040 0.000 2.282 11 V HA -0.324 3.793 4.120 -0.004 0.000 0.249 11 V C 2.419 178.541 176.094 0.047 0.000 1.057 11 V CA 1.990 64.321 62.300 0.052 0.000 1.032 11 V CB -1.127 30.723 31.823 0.046 0.000 0.645 11 V HN 0.369 8.559 8.190 -0.000 0.000 0.447 12 A N -0.187 122.652 122.820 0.032 0.000 1.849 12 A HA -0.351 3.967 4.320 -0.004 0.000 0.217 12 A C 2.330 179.925 177.584 0.020 0.000 1.202 12 A CA 2.617 54.667 52.037 0.022 0.000 0.629 12 A CB -0.702 18.307 19.000 0.014 0.000 0.834 12 A HN 0.551 8.701 8.150 -0.000 0.000 0.447 13 K N -0.620 119.793 120.400 0.022 0.000 2.103 13 K HA -0.119 4.199 4.320 -0.004 0.000 0.207 13 K C 1.794 178.411 176.600 0.029 0.000 1.048 13 K CA 1.688 57.987 56.287 0.020 0.000 0.930 13 K CB -0.274 32.239 32.500 0.022 0.000 0.716 13 K HN 0.246 8.496 8.250 -0.000 0.000 0.444 14 V N 1.289 121.231 119.914 0.048 0.000 2.323 14 V HA -0.210 3.908 4.120 -0.004 0.000 0.244 14 V C 2.221 178.350 176.094 0.057 0.000 1.041 14 V CA 1.535 63.880 62.300 0.074 0.000 1.025 14 V CB -0.259 31.630 31.823 0.110 0.000 0.656 14 V HN 0.319 8.509 8.190 -0.000 0.000 0.451 15 L N -0.529 120.722 121.223 0.047 0.000 2.217 15 L HA -0.084 4.254 4.340 -0.004 0.000 0.211 15 L C 2.573 179.410 176.870 -0.054 0.000 1.107 15 L CA 0.929 55.763 54.840 -0.010 0.000 0.783 15 L CB -0.465 41.612 42.059 0.030 0.000 0.919 15 L HN 0.271 8.501 8.230 -0.000 0.000 0.442 16 S N 0.082 115.767 115.700 -0.025 0.000 2.353 16 S HA -0.209 4.259 4.470 -0.004 0.000 0.222 16 S C 1.758 176.322 174.600 -0.060 0.000 1.035 16 S CA 1.535 59.712 58.200 -0.038 0.000 1.025 16 S CB -0.174 63.015 63.200 -0.019 0.000 0.902 16 S HN 0.502 8.812 8.310 -0.000 0.000 0.440 17 E N 0.924 121.101 120.200 -0.038 0.000 2.358 17 E HA 0.123 4.471 4.350 -0.004 0.000 0.195 17 E C 1.899 178.465 176.600 -0.056 0.000 1.010 17 E CA 0.565 56.941 56.400 -0.039 0.000 0.856 17 E CB -0.097 29.613 29.700 0.016 0.000 0.795 17 E HN 0.489 8.849 8.360 -0.000 0.000 0.504 18 A N 0.982 123.748 122.820 -0.090 0.000 2.123 18 A HA -0.037 4.280 4.320 -0.004 0.000 0.214 18 A C 2.010 179.456 177.584 -0.230 0.000 1.152 18 A CA 0.202 52.135 52.037 -0.173 0.000 0.728 18 A CB -0.194 18.475 19.000 -0.552 0.000 0.814 18 A HN 0.181 8.331 8.150 -0.000 0.000 0.464 19 L N 0.738 121.836 121.223 -0.209 0.000 2.013 19 L HA -0.085 4.253 4.340 -0.004 0.000 0.212 19 L C -0.742 175.991 176.870 -0.228 0.000 1.073 19 L CA 2.426 57.153 54.840 -0.189 0.000 0.753 19 L CB -1.311 40.663 42.059 -0.141 0.000 0.890 19 L HN 0.151 8.381 8.230 -0.000 0.000 0.432 20 P HA -0.202 4.218 4.420 -0.000 0.000 0.216 20 P C 1.083 178.140 177.300 -0.404 0.000 1.153 20 P CA 1.867 64.705 63.100 -0.436 0.000 0.858 20 P CB -0.141 31.162 31.700 -0.660 0.000 0.789 21 Y N -1.658 118.577 120.300 -0.107 0.000 2.231 21 Y HA -0.008 4.541 4.550 -0.003 0.000 0.294 21 Y C 2.409 178.268 175.900 -0.068 0.000 1.120 21 Y CA 0.247 58.301 58.100 -0.076 0.000 1.141 21 Y CB -1.029 37.431 38.460 0.001 0.000 1.022 21 Y HN -0.186 8.094 8.280 -0.000 0.000 0.523 22 I N 0.469 121.071 120.570 0.054 0.000 2.118 22 I HA -0.389 3.779 4.170 -0.004 0.000 0.241 22 I C 2.730 178.864 176.117 0.028 0.000 1.070 22 I CA 1.646 62.984 61.300 0.063 0.000 1.327 22 I CB -0.429 37.518 38.000 -0.087 0.000 1.034 22 I HN 0.180 8.390 8.210 -0.000 0.000 0.405 23 R N 1.339 121.797 120.500 -0.070 0.000 2.153 23 R HA -0.264 4.074 4.340 -0.004 0.000 0.252 23 R C 2.377 178.577 176.300 -0.166 0.000 1.158 23 R CA 1.900 57.942 56.100 -0.097 0.000 0.975 23 R CB -0.267 29.960 30.300 -0.122 0.000 0.871 23 R HN 0.336 8.606 8.270 -0.000 0.000 0.450 24 R N -0.959 119.345 120.500 -0.326 0.000 2.139 24 R HA -0.170 4.168 4.340 -0.004 0.000 0.243 24 R C 1.499 177.391 176.300 -0.681 0.000 1.145 24 R CA 2.001 57.724 56.100 -0.629 0.000 0.976 24 R CB -0.202 29.387 30.300 -1.185 0.000 0.866 24 R HN 0.342 8.612 8.270 -0.000 0.000 0.449 25 F N -0.815 119.165 119.950 0.049 0.000 2.682 25 F HA 0.208 4.733 4.527 -0.003 0.000 0.308 25 F C 0.400 176.223 175.800 0.038 0.000 1.093 25 F CA -0.695 57.334 58.000 0.049 0.000 1.244 25 F CB 0.379 39.419 39.000 0.067 0.000 1.052 25 F HN -0.317 7.983 8.300 -0.000 0.000 0.573 26 V N 1.993 121.995 119.914 0.146 0.000 2.583 26 V HA 0.176 4.294 4.120 -0.004 0.000 0.302 26 V C 1.323 177.467 176.094 0.082 0.000 1.033 26 V CA 1.351 63.711 62.300 0.101 0.000 1.194 26 V CB -0.244 31.607 31.823 0.047 0.000 0.879 26 V HN 0.747 8.937 8.190 -0.000 0.000 0.482 27 G N 3.680 112.527 108.800 0.080 0.000 2.176 27 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.253 27 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.253 27 G C 0.146 175.090 174.900 0.074 0.000 0.979 27 G CA 0.086 45.223 45.100 0.061 0.000 0.641 27 G HN 0.594 8.884 8.290 -0.000 0.000 0.530 28 K N 0.695 121.160 120.400 0.109 0.000 2.156 28 K HA 0.631 4.949 4.320 -0.004 0.000 0.250 28 K C 0.087 176.740 176.600 0.088 0.000 0.955 28 K CA 0.012 56.368 56.287 0.115 0.000 0.855 28 K CB 1.829 34.440 32.500 0.185 0.000 1.101 28 K HN 0.380 8.630 8.250 -0.000 0.000 0.434 29 T N 0.101 114.693 114.554 0.063 0.000 2.795 29 T HA 0.494 4.842 4.350 -0.004 0.000 0.282 29 T C -0.180 174.526 174.700 0.010 0.000 0.980 29 T CA -0.830 61.291 62.100 0.034 0.000 1.012 29 T CB 0.211 69.098 68.868 0.032 0.000 0.936 29 T HN 0.359 8.599 8.240 -0.000 0.000 0.457 30 L N 4.273 125.481 121.223 -0.024 0.000 2.313 30 L HA 0.543 4.881 4.340 -0.004 0.000 0.283 30 L C -0.419 176.429 176.870 -0.037 0.000 1.013 30 L CA -1.377 53.425 54.840 -0.063 0.000 0.816 30 L CB 2.011 43.990 42.059 -0.134 0.000 1.236 30 L HN 0.466 8.696 8.230 -0.000 0.000 0.419 31 V N 5.285 125.181 119.914 -0.029 0.000 2.334 31 V HA 0.333 4.451 4.120 -0.004 0.000 0.267 31 V C 0.284 176.375 176.094 -0.004 0.000 1.040 31 V CA -0.105 62.193 62.300 -0.004 0.000 0.866 31 V CB 1.150 32.974 31.823 0.002 0.000 1.019 31 V HN 0.498 8.688 8.190 -0.000 0.000 0.468 32 I N 5.564 126.157 120.570 0.039 0.000 2.339 32 I HA 0.417 4.585 4.170 -0.004 0.000 0.290 32 I C 0.258 176.463 176.117 0.146 0.000 0.994 32 I CA -0.517 60.838 61.300 0.092 0.000 1.191 32 I CB 1.323 39.419 38.000 0.160 0.000 1.343 32 I HN 0.382 8.592 8.210 -0.000 0.000 0.458 33 K N 7.103 127.558 120.400 0.092 0.000 2.264 33 K HA 0.160 4.477 4.320 -0.004 0.000 0.277 33 K C -1.105 175.527 176.600 0.054 0.000 1.067 33 K CA -0.603 55.728 56.287 0.074 0.000 0.900 33 K CB 0.706 33.215 32.500 0.015 0.000 1.124 33 K HN 0.435 8.685 8.250 -0.000 0.000 0.469 34 Y N 3.211 123.448 120.300 -0.105 0.000 2.537 34 Y HA 0.340 4.888 4.550 -0.003 0.000 0.339 34 Y C 0.207 175.963 175.900 -0.240 0.000 1.066 34 Y CA 0.638 58.517 58.100 -0.369 0.000 1.357 34 Y CB 0.294 38.446 38.460 -0.513 0.000 1.175 34 Y HN 0.737 9.017 8.280 -0.000 0.000 0.525 35 G N 1.900 110.271 108.800 -0.714 0.000 2.663 35 G HA2 0.451 4.409 3.960 -0.004 0.000 0.299 35 G HA3 0.451 4.409 3.960 -0.004 0.000 0.299 35 G C 0.266 174.866 174.900 -0.501 0.000 1.372 35 G CA -0.437 44.323 45.100 -0.567 0.000 0.781 35 G HN 1.261 9.551 8.290 -0.000 0.000 0.491 36 G N 0.115 108.720 108.800 -0.324 0.000 2.189 36 G HA2 -0.347 3.611 3.960 -0.004 0.000 0.267 36 G HA3 -0.347 3.611 3.960 -0.004 0.000 0.267 36 G C 1.252 176.001 174.900 -0.252 0.000 0.975 36 G CA 1.406 46.370 45.100 -0.228 0.000 0.644 36 G HN 1.465 9.755 8.290 -0.000 0.000 0.537 37 N N 1.228 119.680 118.700 -0.413 0.000 2.137 37 N HA -0.066 4.672 4.740 -0.004 0.000 0.190 37 N C 2.322 177.728 175.510 -0.173 0.000 1.017 37 N CA 2.562 55.397 53.050 -0.359 0.000 0.859 37 N CB -1.017 37.139 38.487 -0.551 0.000 1.002 37 N HN 1.688 10.068 8.380 -0.000 0.000 0.428 38 A N 1.620 124.338 122.820 -0.171 0.000 1.238 38 A HA -0.347 3.971 4.320 -0.004 0.000 0.396 38 A C 1.905 179.445 177.584 -0.074 0.000 5.549 38 A CA 3.018 54.988 52.037 -0.112 0.000 1.063 38 A CB -1.582 17.357 19.000 -0.102 0.000 1.141 38 A HN 0.459 8.609 8.150 -0.000 0.000 0.637 39 M N -1.194 118.372 119.600 -0.058 0.000 2.505 39 M HA 0.159 4.637 4.480 -0.004 0.000 0.230 39 M C 0.540 176.824 176.300 -0.026 0.000 1.153 39 M CA 0.821 56.099 55.300 -0.037 0.000 0.997 39 M CB 0.081 32.663 32.600 -0.030 0.000 1.606 39 M HN 0.621 8.911 8.290 -0.000 0.000 0.481 40 E N 1.197 121.380 120.200 -0.028 0.000 2.238 40 E HA -0.183 4.165 4.350 -0.004 0.000 0.219 40 E C 0.438 177.040 176.600 0.004 0.000 1.275 40 E CA 0.541 56.936 56.400 -0.008 0.000 0.714 40 E CB -0.885 28.811 29.700 -0.006 0.000 1.154 40 E HN 0.485 8.845 8.360 -0.000 0.000 0.363 41 S N -0.463 115.239 115.700 0.004 0.000 2.592 41 S HA 0.089 4.557 4.470 -0.004 0.000 0.247 41 S C 1.017 175.631 174.600 0.023 0.000 1.322 41 S CA 0.767 58.974 58.200 0.011 0.000 0.973 41 S CB 0.439 63.645 63.200 0.010 0.000 0.971 41 S HN 0.411 8.721 8.310 -0.000 0.000 0.545 42 E N -1.165 119.051 120.200 0.026 0.000 2.629 42 E HA 0.122 4.470 4.350 -0.004 0.000 0.196 42 E C 1.499 178.118 176.600 0.032 0.000 0.977 42 E CA -0.007 56.412 56.400 0.031 0.000 1.663 42 E CB -0.477 29.239 29.700 0.027 0.000 2.258 42 E HN 0.707 9.067 8.360 -0.000 0.000 1.079 43 E N 0.642 120.859 120.200 0.028 0.000 2.347 43 E HA -0.076 4.272 4.350 -0.004 0.000 0.196 43 E C 1.635 178.251 176.600 0.027 0.000 1.008 43 E CA 0.440 56.856 56.400 0.027 0.000 0.852 43 E CB 0.321 30.033 29.700 0.021 0.000 0.783 43 E HN -0.038 8.322 8.360 -0.000 0.000 0.505 44 L N 0.193 121.439 121.223 0.038 0.000 2.408 44 L HA 0.054 4.391 4.340 -0.004 0.000 0.215 44 L C 1.932 178.865 176.870 0.104 0.000 1.081 44 L CA 1.160 56.036 54.840 0.060 0.000 0.840 44 L CB 0.126 42.213 42.059 0.047 0.000 1.002 44 L HN -0.178 8.052 8.230 -0.000 0.000 0.468 45 K N -1.001 119.451 120.400 0.086 0.000 2.186 45 K HA 0.048 4.366 4.320 -0.004 0.000 0.202 45 K C 1.896 178.498 176.600 0.004 0.000 1.052 45 K CA 0.875 57.212 56.287 0.082 0.000 0.965 45 K CB 0.155 32.691 32.500 0.062 0.000 0.746 45 K HN 0.322 8.572 8.250 -0.000 0.000 0.457 46 A N 0.626 123.428 122.820 -0.030 0.000 1.898 46 A HA 0.022 4.340 4.320 -0.004 0.000 0.214 46 A C 2.282 179.727 177.584 -0.232 0.000 1.183 46 A CA 1.481 53.416 52.037 -0.171 0.000 0.622 46 A CB -1.010 17.965 19.000 -0.042 0.000 0.824 46 A HN 0.453 8.603 8.150 -0.000 0.000 0.444 47 G N -0.797 107.959 108.800 -0.073 0.000 2.469 47 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.219 47 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.219 47 G C 1.481 176.355 174.900 -0.044 0.000 1.150 47 G CA 1.310 46.378 45.100 -0.054 0.000 0.763 47 G HN 0.510 8.800 8.290 -0.000 0.000 0.561 48 F N 2.347 122.221 119.950 -0.126 0.000 2.084 48 F HA 0.122 4.647 4.527 -0.003 0.000 0.296 48 F C 2.844 178.524 175.800 -0.199 0.000 1.111 48 F CA 1.493 59.420 58.000 -0.121 0.000 1.224 48 F CB -0.511 38.450 39.000 -0.065 0.000 0.991 48 F HN 0.236 8.536 8.300 -0.000 0.000 0.471 49 A N 0.949 123.658 122.820 -0.186 0.000 1.903 49 A HA -0.330 3.988 4.320 -0.004 0.000 0.219 49 A C 2.372 179.724 177.584 -0.386 0.000 1.191 49 A CA 2.363 54.203 52.037 -0.328 0.000 0.638 49 A CB -1.101 17.735 19.000 -0.274 0.000 0.823 49 A HN 0.576 8.726 8.150 -0.000 0.000 0.451 50 R N -0.712 119.538 120.500 -0.416 0.000 2.148 50 R HA -0.118 4.220 4.340 -0.004 0.000 0.223 50 R C 1.072 177.230 176.300 -0.237 0.000 1.088 50 R CA 1.571 57.504 56.100 -0.279 0.000 0.985 50 R CB -0.276 29.873 30.300 -0.252 0.000 0.880 50 R HN 0.455 8.725 8.270 -0.000 0.000 0.451 51 D N 0.033 120.254 120.400 -0.299 0.000 2.149 51 D HA -0.101 4.536 4.640 -0.004 0.000 0.201 51 D C 1.902 178.007 176.300 -0.326 0.000 0.972 51 D CA 0.988 54.808 54.000 -0.300 0.000 0.835 51 D CB -0.073 40.560 40.800 -0.278 0.000 0.966 51 D HN 0.086 8.456 8.370 -0.000 0.000 0.476 52 V N 0.856 120.500 119.914 -0.449 0.000 2.407 52 V HA -0.183 3.935 4.120 -0.004 0.000 0.248 52 V C 2.574 178.534 176.094 -0.223 0.000 1.055 52 V CA 0.978 63.039 62.300 -0.399 0.000 1.049 52 V CB -0.204 31.263 31.823 -0.594 0.000 0.662 52 V HN 0.056 8.246 8.190 -0.000 0.000 0.455 53 V N -0.559 119.242 119.914 -0.188 0.000 2.453 53 V HA -0.216 3.902 4.120 -0.004 0.000 0.247 53 V C 2.212 178.261 176.094 -0.074 0.000 1.048 53 V CA 1.808 64.049 62.300 -0.100 0.000 1.049 53 V CB -0.369 31.420 31.823 -0.056 0.000 0.672 53 V HN 0.480 8.670 8.190 -0.000 0.000 0.457 54 L N -0.696 120.467 121.223 -0.100 0.000 1.970 54 L HA -0.261 4.077 4.340 -0.004 0.000 0.212 54 L C 2.535 179.396 176.870 -0.016 0.000 1.071 54 L CA 2.102 56.900 54.840 -0.070 0.000 0.751 54 L CB -0.202 41.756 42.059 -0.167 0.000 0.889 54 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 55 M N -0.509 119.059 119.600 -0.053 0.000 2.143 55 M HA -0.301 4.177 4.480 -0.004 0.000 0.258 55 M C 2.208 178.525 176.300 0.028 0.000 1.071 55 M CA 1.917 57.226 55.300 0.016 0.000 1.088 55 M CB -0.282 32.288 32.600 -0.050 0.000 1.360 55 M HN 0.108 8.398 8.290 -0.000 0.000 0.404 56 K N 0.432 120.825 120.400 -0.012 0.000 2.062 56 K HA 0.017 4.335 4.320 -0.004 0.000 0.205 56 K C 1.826 178.430 176.600 0.007 0.000 1.051 56 K CA 1.530 57.812 56.287 -0.009 0.000 0.941 56 K CB -0.388 32.092 32.500 -0.034 0.000 0.719 56 K HN 0.241 8.491 8.250 -0.000 0.000 0.440 57 A N 0.145 122.973 122.820 0.012 0.000 1.865 57 A HA -0.121 4.197 4.320 -0.004 0.000 0.217 57 A C 2.181 179.793 177.584 0.047 0.000 1.191 57 A CA 1.842 53.893 52.037 0.023 0.000 0.623 57 A CB -0.919 18.099 19.000 0.030 0.000 0.826 57 A HN 0.130 8.280 8.150 -0.000 0.000 0.444 58 V N -0.538 119.427 119.914 0.085 0.000 3.383 58 V HA 0.123 4.241 4.120 -0.004 0.000 0.272 58 V C 1.758 177.904 176.094 0.086 0.000 1.181 58 V CA 1.489 63.856 62.300 0.111 0.000 1.171 58 V CB -0.798 31.154 31.823 0.215 0.000 0.800 58 V HN 1.210 9.400 8.190 -0.000 0.000 0.515 59 G N -0.203 108.634 108.800 0.063 0.000 2.176 59 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.232 59 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.232 59 G C 0.132 175.072 174.900 0.067 0.000 0.986 59 G CA 0.049 45.181 45.100 0.053 0.000 0.643 59 G HN 0.467 8.757 8.290 -0.000 0.000 0.522 60 I N 0.749 121.367 120.570 0.079 0.000 2.612 60 I HA 0.299 4.467 4.170 -0.004 0.000 0.295 60 I C -0.175 175.965 176.117 0.038 0.000 1.011 60 I CA -0.805 60.544 61.300 0.080 0.000 1.326 60 I CB 0.996 39.049 38.000 0.088 0.000 1.427 60 I HN -0.075 8.135 8.210 -0.000 0.000 0.537 61 N N 5.627 124.347 118.700 0.034 0.000 2.816 61 N HA 0.284 5.022 4.740 -0.004 0.000 0.236 61 N C -2.507 173.006 175.510 0.004 0.000 1.076 61 N CA -1.305 51.757 53.050 0.020 0.000 0.902 61 N CB 0.859 39.365 38.487 0.031 0.000 1.149 61 N HN 0.302 8.682 8.380 -0.000 0.000 0.506 62 P HA 0.156 4.576 4.420 -0.000 0.000 0.280 62 P C -0.451 176.849 177.300 -0.000 0.000 1.244 62 P CA -0.232 62.851 63.100 -0.028 0.000 0.784 62 P CB 1.644 33.301 31.700 -0.072 0.000 0.913 63 V N 4.346 124.267 119.914 0.013 0.000 2.531 63 V HA 0.266 4.384 4.120 -0.004 0.000 0.301 63 V C 0.257 176.386 176.094 0.059 0.000 1.034 63 V CA -0.733 61.589 62.300 0.036 0.000 0.865 63 V CB 2.302 34.144 31.823 0.032 0.000 0.995 63 V HN 0.294 8.484 8.190 -0.000 0.000 0.424 64 V N 5.405 125.373 119.914 0.089 0.000 2.547 64 V HA 0.672 4.790 4.120 -0.004 0.000 0.299 64 V C -0.324 175.852 176.094 0.135 0.000 1.040 64 V CA -0.551 61.842 62.300 0.154 0.000 0.913 64 V CB 2.043 33.999 31.823 0.221 0.000 0.992 64 V HN 0.588 8.778 8.190 -0.000 0.000 0.449 65 V N 3.884 123.881 119.914 0.139 0.000 2.789 65 V HA 0.662 4.780 4.120 -0.004 0.000 0.311 65 V C -0.822 175.340 176.094 0.114 0.000 1.073 65 V CA -0.608 61.724 62.300 0.053 0.000 0.921 65 V CB 2.116 33.944 31.823 0.008 0.000 1.009 65 V HN 1.211 9.401 8.190 -0.000 0.000 0.426 66 H N 1.308 120.425 119.070 0.079 0.000 2.977 66 H HA 0.930 5.483 4.556 -0.004 0.000 0.350 66 H C -0.101 175.256 175.328 0.048 0.000 1.238 66 H CA -0.142 55.957 56.048 0.086 0.000 1.124 66 H CB 1.759 31.607 29.762 0.143 0.000 1.866 66 H HN 0.775 9.055 8.280 -0.000 0.000 0.550 67 G N -1.829 107.109 108.800 0.230 0.000 3.122 67 G HA2 0.523 4.481 3.960 -0.004 0.000 0.180 67 G HA3 0.523 4.481 3.960 -0.004 0.000 0.180 67 G C -0.105 174.938 174.900 0.238 0.000 1.279 67 G CA -1.123 44.068 45.100 0.150 0.000 0.987 67 G HN 1.443 9.733 8.290 -0.000 0.000 0.589 68 G N -1.662 107.213 108.800 0.127 0.000 4.665 68 G HA2 0.431 4.388 3.960 -0.004 0.000 0.227 68 G HA3 0.431 4.388 3.960 -0.004 0.000 0.227 68 G C 0.815 175.763 174.900 0.080 0.000 2.385 68 G CA 0.691 45.853 45.100 0.103 0.000 0.869 68 G HN 1.171 9.461 8.290 -0.000 0.000 0.344 69 G N 1.690 110.532 108.800 0.070 0.000 2.545 69 G HA2 -0.099 3.858 3.960 -0.004 0.000 0.217 69 G HA3 -0.099 3.858 3.960 -0.004 0.000 0.217 69 G C 0.129 175.073 174.900 0.073 0.000 1.218 69 G CA 1.762 46.918 45.100 0.093 0.000 0.787 69 G HN 0.417 8.707 8.290 -0.000 0.000 0.571 70 P HA -0.151 4.269 4.420 -0.000 0.000 0.216 70 P C 1.892 179.209 177.300 0.028 0.000 1.157 70 P CA 1.677 64.787 63.100 0.017 0.000 0.880 70 P CB -0.071 31.626 31.700 -0.005 0.000 0.791 71 Q N -1.193 118.626 119.800 0.032 0.000 2.079 71 Q HA -0.081 4.257 4.340 -0.004 0.000 0.200 71 Q C 2.174 178.199 176.000 0.040 0.000 0.974 71 Q CA 1.219 57.042 55.803 0.032 0.000 0.840 71 Q CB -0.760 27.998 28.738 0.033 0.000 0.898 71 Q HN 0.279 8.549 8.270 -0.000 0.000 0.430 72 I N -0.188 120.415 120.570 0.056 0.000 2.252 72 I HA -0.178 3.990 4.170 -0.004 0.000 0.245 72 I C 2.179 178.329 176.117 0.054 0.000 1.102 72 I CA 1.117 62.451 61.300 0.057 0.000 1.385 72 I CB -0.603 37.440 38.000 0.072 0.000 1.064 72 I HN 0.318 8.528 8.210 -0.000 0.000 0.414 73 G N 0.342 109.183 108.800 0.068 0.000 2.418 73 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.217 73 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.217 73 G C 1.280 176.203 174.900 0.038 0.000 1.158 73 G CA 1.258 46.397 45.100 0.065 0.000 0.771 73 G HN 0.339 8.629 8.290 -0.000 0.000 0.545 74 D N -0.256 120.162 120.400 0.029 0.000 2.097 74 D HA -0.080 4.557 4.640 -0.004 0.000 0.195 74 D C 2.358 178.669 176.300 0.018 0.000 0.989 74 D CA 0.544 54.555 54.000 0.019 0.000 0.827 74 D CB -0.218 40.590 40.800 0.015 0.000 0.966 74 D HN 0.154 8.524 8.370 -0.000 0.000 0.456 75 L N 0.127 121.362 121.223 0.020 0.000 2.017 75 L HA -0.046 4.292 4.340 -0.004 0.000 0.208 75 L C 2.247 179.127 176.870 0.016 0.000 1.073 75 L CA 1.344 56.195 54.840 0.017 0.000 0.745 75 L CB -0.486 41.584 42.059 0.019 0.000 0.894 75 L HN 0.175 8.405 8.230 -0.000 0.000 0.432 76 L N -0.687 120.548 121.223 0.020 0.000 2.042 76 L HA -0.281 4.057 4.340 -0.004 0.000 0.210 76 L C 2.616 179.493 176.870 0.012 0.000 1.076 76 L CA 1.667 56.517 54.840 0.016 0.000 0.749 76 L CB -0.547 41.523 42.059 0.018 0.000 0.893 76 L HN 0.300 8.530 8.230 -0.000 0.000 0.432 77 K N 0.378 120.786 120.400 0.013 0.000 2.057 77 K HA -0.187 4.130 4.320 -0.004 0.000 0.207 77 K C 2.212 178.816 176.600 0.007 0.000 1.049 77 K CA 1.401 57.693 56.287 0.008 0.000 0.931 77 K CB 0.033 32.538 32.500 0.009 0.000 0.714 77 K HN 0.206 8.456 8.250 -0.000 0.000 0.440 78 R N 0.092 120.597 120.500 0.008 0.000 2.189 78 R HA -0.008 4.330 4.340 -0.004 0.000 0.223 78 R C 1.722 178.026 176.300 0.007 0.000 1.092 78 R CA 0.765 56.869 56.100 0.007 0.000 0.989 78 R CB -0.018 30.287 30.300 0.007 0.000 0.876 78 R HN 0.222 8.492 8.270 -0.000 0.000 0.457 79 L N 0.378 121.606 121.223 0.008 0.000 2.607 79 L HA 0.164 4.502 4.340 -0.004 0.000 0.228 79 L C -0.123 176.752 176.870 0.008 0.000 1.123 79 L CA -0.205 54.639 54.840 0.008 0.000 0.890 79 L CB 0.257 42.321 42.059 0.009 0.000 1.103 79 L HN 0.045 8.275 8.230 -0.000 0.000 0.468 80 S N 1.066 116.770 115.700 0.007 0.000 3.608 80 S HA -0.161 4.307 4.470 -0.004 0.000 0.382 80 S C -0.073 174.534 174.600 0.011 0.000 0.945 80 S CA 0.456 58.661 58.200 0.008 0.000 1.256 80 S CB -1.704 61.501 63.200 0.007 0.000 0.913 80 S HN 0.322 8.632 8.310 -0.000 0.000 0.518 81 I N 1.180 121.756 120.570 0.011 0.000 2.389 81 I HA 0.284 4.452 4.170 -0.004 0.000 0.288 81 I C 0.427 176.551 176.117 0.012 0.000 0.999 81 I CA -0.700 60.610 61.300 0.017 0.000 1.129 81 I CB 1.241 39.251 38.000 0.017 0.000 1.288 81 I HN 0.091 8.301 8.210 -0.000 0.000 0.444 82 E N 4.180 124.395 120.200 0.024 0.000 2.398 82 E HA 0.212 4.559 4.350 -0.004 0.000 0.263 82 E C -0.493 176.070 176.600 -0.062 0.000 1.046 82 E CA 0.036 56.423 56.400 -0.023 0.000 0.908 82 E CB 1.214 30.927 29.700 0.021 0.000 0.963 82 E HN 0.551 8.911 8.360 -0.000 0.000 0.431 83 S N 3.028 118.601 115.700 -0.212 0.000 2.537 83 S HA 0.597 5.065 4.470 -0.004 0.000 0.301 83 S C -0.377 173.951 174.600 -0.453 0.000 1.092 83 S CA -0.919 57.169 58.200 -0.188 0.000 1.048 83 S CB 1.572 64.751 63.200 -0.035 0.000 1.053 83 S HN 0.393 8.703 8.310 -0.000 0.000 0.501 84 H N 0.562 119.560 119.070 -0.120 0.000 2.856 84 H HA 0.436 4.990 4.556 -0.003 0.000 0.355 84 H C -1.716 173.437 175.328 -0.291 0.000 1.079 84 H CA -0.436 55.561 56.048 -0.085 0.000 1.240 84 H CB 1.293 31.011 29.762 -0.074 0.000 1.701 84 H HN 0.520 8.800 8.280 -0.000 0.000 0.527 85 F N 2.298 122.309 119.950 0.101 0.000 2.495 85 F HA 0.497 5.023 4.527 -0.001 0.000 0.327 85 F C 0.204 176.040 175.800 0.061 0.000 1.103 85 F CA -0.618 57.421 58.000 0.064 0.000 0.949 85 F CB 1.849 40.870 39.000 0.034 0.000 1.142 85 F HN 0.279 8.579 8.300 -0.000 0.000 0.457 86 I N 3.097 123.771 120.570 0.174 0.000 2.503 86 I HA 0.209 4.377 4.170 -0.004 0.000 0.282 86 I C -1.090 175.092 176.117 0.107 0.000 1.059 86 I CA -0.563 60.806 61.300 0.116 0.000 1.081 86 I CB 1.467 39.500 38.000 0.055 0.000 1.210 86 I HN 0.586 8.796 8.210 -0.000 0.000 0.450 87 D N 5.188 125.651 120.400 0.106 0.000 2.746 87 D HA -0.174 4.464 4.640 -0.004 0.000 0.236 87 D C 1.084 177.446 176.300 0.103 0.000 1.129 87 D CA 1.775 55.827 54.000 0.086 0.000 0.691 87 D CB -0.949 39.887 40.800 0.060 0.000 1.077 87 D HN 1.093 9.463 8.370 -0.000 0.000 0.432 88 G N -1.889 107.000 108.800 0.148 0.000 2.363 88 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.238 88 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.238 88 G C 0.472 175.527 174.900 0.260 0.000 1.062 88 G CA 0.577 45.776 45.100 0.166 0.000 0.629 88 G HN 0.374 8.664 8.290 -0.000 0.000 0.514 89 M N 0.711 120.423 119.600 0.186 0.000 2.241 89 M HA 0.420 4.897 4.480 -0.004 0.000 0.335 89 M C 0.778 177.131 176.300 0.089 0.000 1.122 89 M CA -0.522 54.861 55.300 0.138 0.000 1.164 89 M CB 0.793 33.432 32.600 0.065 0.000 1.459 89 M HN 0.345 8.635 8.290 -0.000 0.000 0.461 90 R N 1.181 121.637 120.500 -0.073 0.000 2.254 90 R HA 0.441 4.778 4.340 -0.004 0.000 0.318 90 R C -1.229 174.912 176.300 -0.265 0.000 1.031 90 R CA -0.487 55.325 56.100 -0.480 0.000 0.905 90 R CB 0.755 30.707 30.300 -0.580 0.000 1.050 90 R HN 0.543 8.813 8.270 -0.000 0.000 0.456 91 V N 4.647 124.406 119.914 -0.259 0.000 2.458 91 V HA 0.035 4.153 4.120 -0.004 0.000 0.287 91 V C 0.122 176.137 176.094 -0.131 0.000 1.009 91 V CA 0.563 62.779 62.300 -0.139 0.000 1.091 91 V CB 0.943 32.706 31.823 -0.100 0.000 0.960 91 V HN 0.783 8.973 8.190 -0.000 0.000 0.476 92 T N 4.701 119.195 114.554 -0.100 0.000 3.060 92 T HA 0.242 4.589 4.350 -0.004 0.000 0.367 92 T C -0.097 174.548 174.700 -0.090 0.000 1.229 92 T CA -0.682 61.380 62.100 -0.062 0.000 1.104 92 T CB 0.221 69.089 68.868 0.001 0.000 1.083 92 T HN 0.900 9.140 8.240 -0.000 0.000 0.524 93 D N 2.136 122.490 120.400 -0.077 0.000 2.384 93 D HA 0.263 4.901 4.640 -0.004 0.000 0.244 93 D C 1.559 177.897 176.300 0.063 0.000 1.251 93 D CA -0.545 53.399 54.000 -0.094 0.000 0.961 93 D CB 0.785 41.551 40.800 -0.058 0.000 1.116 93 D HN 0.311 8.681 8.370 -0.000 0.000 0.484 94 A N 0.804 123.697 122.820 0.122 0.000 1.917 94 A HA -0.107 4.211 4.320 -0.004 0.000 0.219 94 A C 2.241 179.875 177.584 0.084 0.000 1.182 94 A CA 3.040 55.201 52.037 0.207 0.000 0.633 94 A CB -1.196 17.896 19.000 0.153 0.000 0.819 94 A HN 0.751 8.901 8.150 -0.000 0.000 0.448 95 A N -1.705 121.144 122.820 0.047 0.000 1.929 95 A HA 0.016 4.334 4.320 -0.004 0.000 0.216 95 A C 2.264 179.863 177.584 0.024 0.000 1.176 95 A CA 2.016 54.068 52.037 0.025 0.000 0.628 95 A CB -1.002 18.009 19.000 0.017 0.000 0.816 95 A HN 0.419 8.569 8.150 -0.000 0.000 0.444 96 T N -0.290 114.281 114.554 0.029 0.000 2.821 96 T HA -0.143 4.205 4.350 -0.004 0.000 0.267 96 T C 1.900 176.616 174.700 0.026 0.000 1.046 96 T CA 1.802 63.914 62.100 0.019 0.000 1.139 96 T CB -0.251 68.620 68.868 0.004 0.000 0.871 96 T HN 0.433 8.673 8.240 -0.000 0.000 0.454 97 M N 1.762 121.394 119.600 0.053 0.000 2.149 97 M HA -0.097 4.381 4.480 -0.004 0.000 0.261 97 M C 1.299 177.597 176.300 -0.004 0.000 1.064 97 M CA 1.573 56.895 55.300 0.035 0.000 1.102 97 M CB -0.465 32.159 32.600 0.041 0.000 1.369 97 M HN -0.039 8.251 8.290 -0.000 0.000 0.408 98 D N -0.894 119.502 120.400 -0.007 0.000 2.178 98 D HA -0.101 4.536 4.640 -0.004 0.000 0.202 98 D C 2.079 178.377 176.300 -0.003 0.000 0.974 98 D CA 1.250 55.241 54.000 -0.016 0.000 0.841 98 D CB -0.204 40.587 40.800 -0.015 0.000 0.953 98 D HN 0.276 8.646 8.370 -0.000 0.000 0.478 99 V N 0.093 120.011 119.914 0.006 0.000 2.407 99 V HA -0.139 3.979 4.120 -0.004 0.000 0.245 99 V C 2.517 178.622 176.094 0.018 0.000 1.041 99 V CA 0.731 63.038 62.300 0.012 0.000 1.040 99 V CB -0.178 31.653 31.823 0.014 0.000 0.671 99 V HN 0.054 8.244 8.190 -0.000 0.000 0.455 100 V N 0.239 120.165 119.914 0.019 0.000 2.295 100 V HA -0.316 3.802 4.120 -0.004 0.000 0.246 100 V C 2.452 178.564 176.094 0.031 0.000 1.049 100 V CA 2.524 64.841 62.300 0.029 0.000 1.024 100 V CB -0.529 31.310 31.823 0.027 0.000 0.648 100 V HN 0.684 8.874 8.190 -0.000 0.000 0.447 101 E N -0.366 119.844 120.200 0.016 0.000 2.072 101 E HA -0.272 4.076 4.350 -0.004 0.000 0.191 101 E C 2.235 178.847 176.600 0.020 0.000 0.985 101 E CA 1.755 58.163 56.400 0.013 0.000 0.801 101 E CB -0.171 29.523 29.700 -0.010 0.000 0.750 101 E HN 0.584 8.944 8.360 -0.000 0.000 0.452 102 M N -0.018 119.590 119.600 0.015 0.000 2.099 102 M HA -0.145 4.333 4.480 -0.004 0.000 0.262 102 M C 2.000 178.317 176.300 0.027 0.000 1.067 102 M CA 1.370 56.679 55.300 0.016 0.000 1.124 102 M CB 0.095 32.701 32.600 0.010 0.000 1.353 102 M HN 0.083 8.373 8.290 -0.000 0.000 0.410 103 V N 0.901 120.834 119.914 0.032 0.000 2.307 103 V HA -0.271 3.847 4.120 -0.004 0.000 0.245 103 V C 2.376 178.506 176.094 0.060 0.000 1.045 103 V CA 1.750 64.074 62.300 0.039 0.000 1.024 103 V CB -0.722 31.125 31.823 0.040 0.000 0.651 103 V HN 0.533 8.723 8.190 -0.000 0.000 0.449 104 L N 0.315 121.587 121.223 0.082 0.000 2.046 104 L HA -0.060 4.278 4.340 -0.004 0.000 0.208 104 L C 2.378 179.345 176.870 0.162 0.000 1.077 104 L CA 1.796 56.723 54.840 0.145 0.000 0.747 104 L CB -0.818 41.321 42.059 0.134 0.000 0.896 104 L HN 0.494 8.724 8.230 -0.000 0.000 0.432 105 G N -1.698 107.160 108.800 0.097 0.000 2.986 105 G HA2 0.092 4.050 3.960 -0.004 0.000 0.213 105 G HA3 0.092 4.050 3.960 -0.004 0.000 0.213 105 G C 1.274 176.208 174.900 0.057 0.000 1.156 105 G CA 0.550 45.701 45.100 0.085 0.000 0.763 105 G HN 0.457 8.747 8.290 -0.000 0.000 0.547 106 G N -1.236 107.590 108.800 0.043 0.000 2.944 106 G HA2 0.180 4.138 3.960 -0.004 0.000 0.220 106 G HA3 0.180 4.138 3.960 -0.004 0.000 0.220 106 G C 1.189 176.101 174.900 0.019 0.000 1.100 106 G CA 0.509 45.624 45.100 0.026 0.000 0.780 106 G HN 0.302 8.592 8.290 -0.000 0.000 0.539 107 Q N -0.208 119.605 119.800 0.021 0.000 2.631 107 Q HA 0.115 4.453 4.340 -0.004 0.000 0.220 107 Q C 2.405 178.396 176.000 -0.015 0.000 0.819 107 Q CA 0.533 56.340 55.803 0.007 0.000 0.914 107 Q CB 0.234 28.979 28.738 0.011 0.000 1.248 107 Q HN 0.142 8.412 8.270 -0.000 0.000 0.629 108 V N 3.002 122.906 119.914 -0.018 0.000 2.358 108 V HA -0.226 3.892 4.120 -0.004 0.000 0.246 108 V C 2.440 178.384 176.094 -0.250 0.000 1.047 108 V CA 2.086 64.325 62.300 -0.101 0.000 1.035 108 V CB -0.917 30.864 31.823 -0.070 0.000 0.658 108 V HN 0.458 8.648 8.190 -0.000 0.000 0.452 109 N N 0.599 119.209 118.700 -0.150 0.000 2.058 109 N HA -0.207 4.531 4.740 -0.004 0.000 0.191 109 N C 1.819 177.304 175.510 -0.042 0.000 1.037 109 N CA 1.421 54.431 53.050 -0.068 0.000 0.848 109 N CB -0.042 38.595 38.487 0.249 0.000 1.021 109 N HN 0.327 8.707 8.380 -0.000 0.000 0.422 110 K N 0.846 121.240 120.400 -0.010 0.000 2.211 110 K HA -0.135 4.183 4.320 -0.004 0.000 0.203 110 K C 1.480 178.067 176.600 -0.023 0.000 1.050 110 K CA 1.039 57.323 56.287 -0.005 0.000 0.945 110 K CB -0.483 32.020 32.500 0.005 0.000 0.732 110 K HN 0.485 8.735 8.250 -0.000 0.000 0.451 111 D N 0.928 121.300 120.400 -0.047 0.000 2.149 111 D HA -0.090 4.547 4.640 -0.004 0.000 0.201 111 D C 1.831 178.095 176.300 -0.060 0.000 0.972 111 D CA 0.717 54.691 54.000 -0.045 0.000 0.835 111 D CB 0.005 40.777 40.800 -0.046 0.000 0.966 111 D HN 0.128 8.498 8.370 -0.000 0.000 0.476 112 I N -0.155 120.351 120.570 -0.107 0.000 2.315 112 I HA -0.177 3.991 4.170 -0.004 0.000 0.248 112 I C 2.379 178.467 176.117 -0.048 0.000 1.117 112 I CA 0.299 61.528 61.300 -0.118 0.000 1.404 112 I CB -0.086 37.803 38.000 -0.186 0.000 1.071 112 I HN 0.023 8.233 8.210 -0.000 0.000 0.419 113 V N 1.256 121.156 119.914 -0.023 0.000 2.255 113 V HA -0.338 3.780 4.120 -0.004 0.000 0.247 113 V C 2.310 178.411 176.094 0.013 0.000 1.051 113 V CA 2.428 64.733 62.300 0.009 0.000 1.018 113 V CB -0.756 31.078 31.823 0.019 0.000 0.641 113 V HN 0.479 8.669 8.190 -0.000 0.000 0.445 114 N N -0.262 118.442 118.700 0.007 0.000 2.137 114 N HA -0.176 4.562 4.740 -0.004 0.000 0.190 114 N C 1.539 177.069 175.510 0.034 0.000 1.017 114 N CA 1.486 54.547 53.050 0.017 0.000 0.859 114 N CB -0.349 38.145 38.487 0.010 0.000 1.002 114 N HN 0.329 8.709 8.380 -0.000 0.000 0.428 115 L N 0.491 121.729 121.223 0.025 0.000 2.017 115 L HA 0.038 4.376 4.340 -0.004 0.000 0.208 115 L C 2.012 178.931 176.870 0.082 0.000 1.073 115 L CA 1.248 56.120 54.840 0.054 0.000 0.745 115 L CB -0.490 41.563 42.059 -0.009 0.000 0.894 115 L HN 0.238 8.468 8.230 -0.000 0.000 0.432 116 I N -0.455 120.126 120.570 0.018 0.000 2.361 116 I HA -0.278 3.890 4.170 -0.004 0.000 0.251 116 I C 1.741 177.889 176.117 0.051 0.000 1.133 116 I CA 0.858 62.160 61.300 0.004 0.000 1.413 116 I CB -0.373 37.611 38.000 -0.026 0.000 1.073 116 I HN 0.343 8.553 8.210 -0.000 0.000 0.424 117 N N 0.513 119.244 118.700 0.052 0.000 2.354 117 N HA -0.135 4.603 4.740 -0.004 0.000 0.179 117 N C 1.855 177.390 175.510 0.042 0.000 1.021 117 N CA 0.688 53.766 53.050 0.046 0.000 0.887 117 N CB -0.296 38.215 38.487 0.040 0.000 0.974 117 N HN 0.199 8.579 8.380 -0.000 0.000 0.437 118 R N 0.164 120.705 120.500 0.068 0.000 2.189 118 R HA -0.002 4.336 4.340 -0.004 0.000 0.223 118 R C 0.442 176.681 176.300 -0.103 0.000 1.092 118 R CA 1.285 57.391 56.100 0.009 0.000 0.989 118 R CB -0.145 30.192 30.300 0.061 0.000 0.876 118 R HN 0.299 8.569 8.270 -0.000 0.000 0.457 119 H N -1.953 117.100 119.070 -0.028 0.000 2.505 119 H HA 0.352 4.906 4.556 -0.004 0.000 0.289 119 H C 0.794 176.100 175.328 -0.036 0.000 1.052 119 H CA 0.510 56.537 56.048 -0.034 0.000 1.156 119 H CB 1.171 30.904 29.762 -0.048 0.000 1.507 119 H HN 0.394 8.674 8.280 -0.000 0.000 0.548 120 G N -0.713 108.106 108.800 0.033 0.000 2.259 120 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.217 120 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.217 120 G C 1.009 175.913 174.900 0.006 0.000 1.001 120 G CA -0.178 44.928 45.100 0.009 0.000 0.627 120 G HN 0.721 9.011 8.290 -0.000 0.000 0.501 121 G N -0.154 108.655 108.800 0.015 0.000 2.631 121 G HA2 0.473 4.431 3.960 -0.004 0.000 0.271 121 G HA3 0.473 4.431 3.960 -0.004 0.000 0.271 121 G C 0.017 174.930 174.900 0.020 0.000 1.302 121 G CA 0.824 45.926 45.100 0.002 0.000 1.002 121 G HN 1.004 9.294 8.290 -0.000 0.000 0.519 122 S N -0.299 115.422 115.700 0.035 0.000 2.664 122 S HA 0.607 5.075 4.470 -0.004 0.000 0.262 122 S C 0.060 174.768 174.600 0.181 0.000 1.229 122 S CA -0.253 58.016 58.200 0.114 0.000 1.151 122 S CB 1.023 64.256 63.200 0.055 0.000 1.054 122 S HN 0.994 9.304 8.310 -0.000 0.000 0.483 123 A N 3.548 126.450 122.820 0.137 0.000 2.320 123 A HA 0.888 5.206 4.320 -0.004 0.000 0.334 123 A C -0.675 176.967 177.584 0.097 0.000 1.147 123 A CA -0.572 51.532 52.037 0.111 0.000 0.820 123 A CB 0.547 19.583 19.000 0.061 0.000 1.218 123 A HN 0.614 8.764 8.150 -0.000 0.000 0.482 124 I N 1.434 122.045 120.570 0.068 0.000 2.465 124 I HA 0.433 4.601 4.170 -0.004 0.000 0.291 124 I C 0.620 176.754 176.117 0.028 0.000 1.014 124 I CA -0.343 60.963 61.300 0.010 0.000 1.093 124 I CB 1.134 39.103 38.000 -0.052 0.000 1.267 124 I HN 0.739 8.949 8.210 -0.000 0.000 0.431 125 G N 6.987 115.801 108.800 0.023 0.000 2.335 125 G HA2 0.705 4.663 3.960 -0.004 0.000 0.314 125 G HA3 0.705 4.663 3.960 -0.004 0.000 0.314 125 G C -0.812 174.110 174.900 0.037 0.000 1.129 125 G CA -0.235 44.894 45.100 0.049 0.000 0.912 125 G HN 0.440 8.730 8.290 -0.000 0.000 0.443 126 L N 1.220 122.472 121.223 0.048 0.000 2.359 126 L HA 0.785 5.123 4.340 -0.004 0.000 0.256 126 L C 0.436 177.323 176.870 0.027 0.000 1.026 126 L CA -1.041 53.815 54.840 0.026 0.000 0.828 126 L CB 2.713 44.778 42.059 0.010 0.000 1.406 126 L HN 0.675 8.905 8.230 -0.000 0.000 0.413 127 T N -3.449 111.114 114.554 0.015 0.000 2.858 127 T HA 0.424 4.772 4.350 -0.004 0.000 0.285 127 T C 0.953 175.655 174.700 0.004 0.000 1.052 127 T CA -0.079 62.025 62.100 0.007 0.000 1.009 127 T CB 1.455 70.331 68.868 0.014 0.000 1.241 127 T HN 0.674 8.914 8.240 -0.000 0.000 0.542 128 G N -0.150 108.654 108.800 0.006 0.000 2.501 128 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.220 128 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.220 128 G C 1.202 176.110 174.900 0.013 0.000 1.114 128 G CA 0.291 45.399 45.100 0.013 0.000 0.757 128 G HN 0.742 9.032 8.290 -0.000 0.000 0.559 129 K N 0.460 120.866 120.400 0.009 0.000 2.418 129 K HA 0.022 4.340 4.320 -0.004 0.000 0.195 129 K C -0.249 176.351 176.600 0.000 0.000 1.035 129 K CA 0.119 56.408 56.287 0.004 0.000 1.003 129 K CB 0.261 32.759 32.500 -0.003 0.000 0.793 129 K HN 0.216 8.466 8.250 -0.000 0.000 0.494 130 D N 1.501 121.901 120.400 -0.001 0.000 2.336 130 D HA 0.113 4.751 4.640 -0.004 0.000 0.249 130 D C 0.342 176.639 176.300 -0.005 0.000 1.213 130 D CA 0.200 54.196 54.000 -0.005 0.000 0.870 130 D CB 1.087 41.883 40.800 -0.008 0.000 1.076 130 D HN 0.134 8.504 8.370 -0.000 0.000 0.483 131 A N 4.243 127.059 122.820 -0.006 0.000 2.783 131 A HA -0.315 4.003 4.320 -0.004 0.000 0.292 131 A C 0.784 178.368 177.584 0.000 0.000 1.495 131 A CA 1.168 53.202 52.037 -0.004 0.000 0.787 131 A CB -2.026 16.969 19.000 -0.008 0.000 1.017 131 A HN 0.775 8.925 8.150 -0.000 0.000 0.516 132 E N -3.252 116.949 120.200 0.003 0.000 2.269 132 E HA -0.324 4.024 4.350 -0.004 0.000 0.223 132 E C 0.687 177.291 176.600 0.008 0.000 1.244 132 E CA 0.575 56.980 56.400 0.008 0.000 0.713 132 E CB -1.701 28.004 29.700 0.009 0.000 1.178 132 E HN 1.374 9.734 8.360 -0.000 0.000 0.370 133 L N -0.076 121.151 121.223 0.006 0.000 2.081 133 L HA -0.067 4.270 4.340 -0.004 0.000 0.212 133 L C 0.940 177.814 176.870 0.006 0.000 1.080 133 L CA 2.060 56.903 54.840 0.005 0.000 0.754 133 L CB 0.217 42.278 42.059 0.003 0.000 0.893 133 L HN 0.335 8.565 8.230 -0.000 0.000 0.433 134 I N 0.729 121.305 120.570 0.010 0.000 2.493 134 I HA 0.274 4.442 4.170 -0.004 0.000 0.279 134 I C -0.204 175.925 176.117 0.020 0.000 1.045 134 I CA -0.501 60.805 61.300 0.011 0.000 1.106 134 I CB 1.074 39.080 38.000 0.009 0.000 1.216 134 I HN -0.006 8.204 8.210 -0.000 0.000 0.459 135 R N 4.093 124.600 120.500 0.011 0.000 2.357 135 R HA 0.804 5.142 4.340 -0.004 0.000 0.296 135 R C -0.296 175.999 176.300 -0.009 0.000 1.052 135 R CA -0.172 55.936 56.100 0.014 0.000 0.988 135 R CB 1.710 32.014 30.300 0.006 0.000 1.025 135 R HN 0.737 9.007 8.270 -0.000 0.000 0.469 136 A N 2.359 125.170 122.820 -0.015 0.000 2.593 136 A HA 0.622 4.940 4.320 -0.004 0.000 0.290 136 A C -1.412 175.999 177.584 -0.289 0.000 1.126 136 A CA -0.928 51.023 52.037 -0.144 0.000 0.695 136 A CB 1.688 20.593 19.000 -0.157 0.000 1.290 136 A HN 0.752 8.902 8.150 -0.000 0.000 0.414 137 K N 0.113 120.203 120.400 -0.518 0.000 2.439 137 K HA 0.643 4.961 4.320 -0.004 0.000 0.260 137 K C -0.657 175.453 176.600 -0.818 0.000 1.032 137 K CA -0.920 55.051 56.287 -0.527 0.000 0.882 137 K CB 1.468 33.846 32.500 -0.203 0.000 1.420 137 K HN 0.584 8.834 8.250 -0.000 0.000 0.455 138 K N 1.095 121.247 120.400 -0.414 0.000 2.326 138 K HA 0.118 4.436 4.320 -0.004 0.000 0.275 138 K C -0.707 175.818 176.600 -0.124 0.000 1.018 138 K CA -0.559 55.631 56.287 -0.162 0.000 0.962 138 K CB 0.490 33.064 32.500 0.124 0.000 0.953 138 K HN 0.552 8.802 8.250 -0.000 0.000 0.475 139 L N 3.277 124.458 121.223 -0.071 0.000 2.350 139 L HA 0.258 4.596 4.340 -0.004 0.000 0.275 139 L C -0.682 176.181 176.870 -0.012 0.000 1.099 139 L CA 0.403 55.216 54.840 -0.045 0.000 0.808 139 L CB 1.632 43.676 42.059 -0.025 0.000 1.149 139 L HN 0.603 8.833 8.230 -0.000 0.000 0.442 140 T N 4.691 119.237 114.554 -0.014 0.000 2.749 140 T HA 0.566 4.914 4.350 -0.004 0.000 0.287 140 T C -0.498 174.200 174.700 -0.002 0.000 0.970 140 T CA -0.351 61.746 62.100 -0.005 0.000 0.980 140 T CB 0.852 69.716 68.868 -0.006 0.000 0.924 140 T HN 0.382 8.622 8.240 -0.000 0.000 0.456 141 V N 3.783 123.697 119.914 0.000 0.000 2.715 141 V HA 0.849 4.967 4.120 -0.004 0.000 0.310 141 V C 0.477 176.571 176.094 0.001 0.000 1.054 141 V CA -0.873 61.428 62.300 0.003 0.000 0.928 141 V CB 1.959 33.785 31.823 0.005 0.000 1.007 141 V HN 1.072 9.262 8.190 -0.000 0.000 0.437 142 T N 1.045 115.601 114.554 0.004 0.000 2.696 142 T HA 0.881 5.229 4.350 -0.004 0.000 0.291 142 T C -0.890 173.813 174.700 0.005 0.000 1.095 142 T CA -0.946 61.156 62.100 0.002 0.000 1.026 142 T CB 2.667 71.536 68.868 0.002 0.000 1.390 142 T HN 0.524 8.764 8.240 -0.000 0.000 0.513 143 R N -0.202 120.301 120.500 0.004 0.000 2.690 143 R HA 0.516 4.853 4.340 -0.004 0.000 0.269 143 R C -1.891 174.411 176.300 0.003 0.000 1.037 143 R CA -0.638 55.465 56.100 0.005 0.000 0.877 143 R CB 1.924 32.228 30.300 0.006 0.000 1.255 143 R HN 0.808 9.078 8.270 -0.000 0.000 0.467 144 Q N 1.155 120.957 119.800 0.004 0.000 2.571 144 Q HA 0.305 4.643 4.340 -0.004 0.000 0.243 144 Q C -0.645 175.356 176.000 0.002 0.000 1.055 144 Q CA -0.246 55.559 55.803 0.002 0.000 0.815 144 Q CB 0.699 29.439 28.738 0.002 0.000 1.151 144 Q HN 0.741 9.011 8.270 -0.000 0.000 0.519 151 P HA -0.007 4.413 4.420 -0.000 0.000 0.269 151 P C -1.146 176.153 177.300 -0.001 0.000 1.211 151 P CA 0.208 63.308 63.100 0.000 0.000 0.781 151 P CB 0.492 32.193 31.700 0.001 0.000 0.877 152 E N 0.642 120.841 120.200 -0.001 0.000 2.222 152 E HA 0.426 4.774 4.350 -0.004 0.000 0.267 152 E C -0.414 176.184 176.600 -0.004 0.000 0.884 152 E CA -0.803 55.595 56.400 -0.003 0.000 0.764 152 E CB 1.574 31.271 29.700 -0.004 0.000 1.169 152 E HN 0.316 8.676 8.360 -0.000 0.000 0.413 153 I N 3.263 123.830 120.570 -0.005 0.000 2.556 153 I HA 0.110 4.278 4.170 -0.004 0.000 0.284 153 I C -0.468 175.643 176.117 -0.010 0.000 1.114 153 I CA 0.316 61.612 61.300 -0.006 0.000 1.418 153 I CB 0.395 38.392 38.000 -0.005 0.000 1.394 153 I HN 0.356 8.566 8.210 -0.000 0.000 0.552 154 I N 6.198 126.762 120.570 -0.010 0.000 2.410 154 I HA 0.180 4.347 4.170 -0.004 0.000 0.286 154 I C -0.629 175.474 176.117 -0.023 0.000 1.009 154 I CA -0.701 60.589 61.300 -0.017 0.000 1.111 154 I CB 1.497 39.489 38.000 -0.013 0.000 1.262 154 I HN 0.430 8.640 8.210 -0.000 0.000 0.443 155 D N 7.122 127.503 120.400 -0.033 0.000 2.339 155 D HA 0.232 4.869 4.640 -0.004 0.000 0.256 155 D C 0.537 176.800 176.300 -0.062 0.000 1.214 155 D CA -0.071 53.902 54.000 -0.044 0.000 0.877 155 D CB 0.872 41.641 40.800 -0.052 0.000 1.111 155 D HN 0.509 8.879 8.370 -0.000 0.000 0.478 156 I N 1.301 121.837 120.570 -0.057 0.000 3.927 156 I HA 0.547 4.715 4.170 -0.004 0.000 0.332 156 I C 1.004 177.063 176.117 -0.096 0.000 1.485 156 I CA -0.412 60.847 61.300 -0.069 0.000 1.131 156 I CB 0.157 38.133 38.000 -0.040 0.000 1.092 156 I HN 0.455 8.665 8.210 -0.000 0.000 0.410 157 G N 1.795 110.512 108.800 -0.138 0.000 2.466 157 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.218 157 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.218 157 G C -0.454 174.329 174.900 -0.195 0.000 1.237 157 G CA -0.266 44.675 45.100 -0.265 0.000 0.954 157 G HN 0.444 8.734 8.290 -0.000 0.000 0.580 158 H N 0.382 119.460 119.070 0.012 0.000 2.799 158 H HA 0.462 5.016 4.556 -0.004 0.000 0.225 158 H C -0.046 175.371 175.328 0.149 0.000 1.904 158 H CA 0.339 56.404 56.048 0.030 0.000 1.344 158 H CB -0.287 29.405 29.762 -0.116 0.000 1.744 158 H HN 0.366 8.646 8.280 -0.000 0.000 0.542 159 V N 1.528 121.611 119.914 0.281 0.000 2.378 159 V HA 0.499 4.617 4.120 -0.004 0.000 0.288 159 V C 0.814 177.025 176.094 0.195 0.000 1.016 159 V CA -0.689 61.737 62.300 0.209 0.000 0.840 159 V CB 1.745 33.620 31.823 0.087 0.000 0.994 159 V HN 0.727 8.917 8.190 -0.000 0.000 0.431 160 G N 4.015 112.894 108.800 0.131 0.000 2.887 160 G HA2 0.814 4.772 3.960 -0.004 0.000 0.277 160 G HA3 0.814 4.772 3.960 -0.004 0.000 0.277 160 G C -0.870 173.937 174.900 -0.155 0.000 1.346 160 G CA -0.579 44.379 45.100 -0.237 0.000 1.058 160 G HN 0.729 9.019 8.290 -0.000 0.000 0.535 161 E N -1.085 118.982 120.200 -0.221 0.000 2.272 161 E HA 0.498 4.846 4.350 -0.004 0.000 0.269 161 E C -1.101 175.424 176.600 -0.125 0.000 0.877 161 E CA -0.917 55.410 56.400 -0.123 0.000 0.755 161 E CB 2.237 31.883 29.700 -0.091 0.000 1.192 161 E HN 0.214 8.574 8.360 -0.000 0.000 0.422 162 V N 2.820 122.690 119.914 -0.073 0.000 2.540 162 V HA -0.011 4.107 4.120 -0.004 0.000 0.297 162 V C 1.242 177.304 176.094 -0.053 0.000 1.024 162 V CA 1.094 63.361 62.300 -0.055 0.000 1.105 162 V CB 0.593 32.398 31.823 -0.030 0.000 0.938 162 V HN 1.032 9.222 8.190 -0.000 0.000 0.482 163 T N 0.348 114.872 114.554 -0.051 0.000 3.010 163 T HA 0.522 4.869 4.350 -0.004 0.000 0.257 163 T C 0.552 175.239 174.700 -0.022 0.000 1.020 163 T CA 0.358 62.435 62.100 -0.039 0.000 0.938 163 T CB 0.524 69.364 68.868 -0.047 0.000 1.049 163 T HN 1.287 9.527 8.240 -0.000 0.000 0.522 164 G N 0.160 108.950 108.800 -0.016 0.000 2.384 164 G HA2 0.469 4.427 3.960 -0.004 0.000 0.300 164 G HA3 0.469 4.427 3.960 -0.004 0.000 0.300 164 G C -2.054 172.844 174.900 -0.003 0.000 1.582 164 G CA -0.564 44.531 45.100 -0.007 0.000 0.875 164 G HN 0.343 8.633 8.290 -0.000 0.000 0.628 165 V N 1.021 120.935 119.914 0.000 0.000 2.656 165 V HA 0.500 4.618 4.120 -0.004 0.000 0.307 165 V C -0.223 175.874 176.094 0.005 0.000 1.051 165 V CA -1.246 61.056 62.300 0.003 0.000 0.893 165 V CB 2.035 33.860 31.823 0.003 0.000 0.999 165 V HN 0.753 8.943 8.190 -0.000 0.000 0.426 166 N N 3.169 121.873 118.700 0.006 0.000 2.739 166 N HA 0.031 4.769 4.740 -0.004 0.000 0.266 166 N C 1.065 176.581 175.510 0.009 0.000 1.168 166 N CA 0.247 53.301 53.050 0.007 0.000 1.055 166 N CB 1.116 39.606 38.487 0.005 0.000 1.393 166 N HN 0.703 9.083 8.380 -0.000 0.000 0.514 167 V N 2.260 122.180 119.914 0.011 0.000 2.490 167 V HA -0.020 4.097 4.120 -0.004 0.000 0.250 167 V C 2.033 178.136 176.094 0.016 0.000 1.061 167 V CA 2.011 64.319 62.300 0.014 0.000 1.064 167 V CB -1.103 30.728 31.823 0.015 0.000 0.670 167 V HN 0.402 8.592 8.190 -0.000 0.000 0.461 168 G N 0.871 109.678 108.800 0.013 0.000 2.553 168 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.218 168 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.218 168 G C 1.497 176.406 174.900 0.015 0.000 1.195 168 G CA 1.642 46.750 45.100 0.014 0.000 0.779 168 G HN 0.596 8.886 8.290 -0.000 0.000 0.577 169 L N 0.664 121.893 121.223 0.010 0.000 2.012 169 L HA 0.002 4.340 4.340 -0.004 0.000 0.210 169 L C 2.793 179.672 176.870 0.015 0.000 1.073 169 L CA 1.528 56.372 54.840 0.007 0.000 0.748 169 L CB -0.655 41.404 42.059 -0.000 0.000 0.891 169 L HN 0.277 8.507 8.230 -0.000 0.000 0.431 170 L N -0.404 120.831 121.223 0.019 0.000 1.989 170 L HA -0.242 4.096 4.340 -0.004 0.000 0.211 170 L C 2.456 179.350 176.870 0.041 0.000 1.071 170 L CA 1.537 56.395 54.840 0.030 0.000 0.749 170 L CB -1.016 41.059 42.059 0.027 0.000 0.890 170 L HN 0.381 8.611 8.230 -0.000 0.000 0.431 171 N N 0.057 118.778 118.700 0.035 0.000 2.094 171 N HA -0.265 4.472 4.740 -0.004 0.000 0.191 171 N C 1.821 177.361 175.510 0.050 0.000 1.023 171 N CA 1.786 54.860 53.050 0.039 0.000 0.857 171 N CB -0.368 38.138 38.487 0.031 0.000 1.013 171 N HN 0.393 8.773 8.380 -0.000 0.000 0.426 172 M N 0.650 120.278 119.600 0.047 0.000 2.086 172 M HA -0.136 4.342 4.480 -0.004 0.000 0.261 172 M C 1.905 178.265 176.300 0.099 0.000 1.067 172 M CA 1.338 56.673 55.300 0.059 0.000 1.116 172 M CB -0.156 32.467 32.600 0.039 0.000 1.348 172 M HN 0.051 8.341 8.290 -0.000 0.000 0.407 173 L N -0.096 121.182 121.223 0.092 0.000 1.970 173 L HA -0.245 4.093 4.340 -0.004 0.000 0.212 173 L C 2.489 179.492 176.870 0.222 0.000 1.071 173 L CA 1.424 56.360 54.840 0.160 0.000 0.751 173 L CB -0.957 41.154 42.059 0.086 0.000 0.889 173 L HN 0.207 8.437 8.230 -0.000 0.000 0.432 174 V N 0.071 120.062 119.914 0.128 0.000 2.282 174 V HA -0.370 3.748 4.120 -0.004 0.000 0.249 174 V C 2.542 178.680 176.094 0.073 0.000 1.057 174 V CA 2.169 64.525 62.300 0.093 0.000 1.032 174 V CB -0.646 31.214 31.823 0.061 0.000 0.645 174 V HN 0.473 8.663 8.190 -0.000 0.000 0.447 175 K N 0.270 120.714 120.400 0.074 0.000 2.280 175 K HA -0.125 4.193 4.320 -0.004 0.000 0.202 175 K C 1.746 178.373 176.600 0.046 0.000 1.047 175 K CA 1.395 57.713 56.287 0.052 0.000 0.942 175 K CB -0.324 32.207 32.500 0.052 0.000 0.739 175 K HN 0.553 8.803 8.250 -0.000 0.000 0.457 176 G N 0.390 109.253 108.800 0.105 0.000 3.233 176 G HA2 -0.037 3.921 3.960 -0.004 0.000 0.227 176 G HA3 -0.037 3.921 3.960 -0.004 0.000 0.227 176 G C -0.526 174.216 174.900 -0.263 0.000 1.175 176 G CA 0.040 45.184 45.100 0.073 0.000 0.781 176 G HN 0.429 8.719 8.290 -0.000 0.000 0.542 177 D N -1.084 119.218 120.400 -0.162 0.000 2.835 177 D HA -0.151 4.486 4.640 -0.004 0.000 0.230 177 D C -0.420 175.652 176.300 -0.379 0.000 1.130 177 D CA 0.896 54.746 54.000 -0.249 0.000 0.738 177 D CB -1.610 39.022 40.800 -0.281 0.000 1.090 177 D HN 0.404 8.774 8.370 -0.000 0.000 0.433 178 F N -0.132 119.820 119.950 0.004 0.000 2.492 178 F HA 0.536 5.060 4.527 -0.004 0.000 0.327 178 F C 1.132 176.933 175.800 0.002 0.000 1.079 178 F CA -0.977 57.025 58.000 0.003 0.000 0.967 178 F CB 1.271 40.275 39.000 0.006 0.000 1.169 178 F HN -0.235 8.065 8.300 -0.000 0.000 0.472 179 I N 4.324 125.003 120.570 0.182 0.000 2.312 179 I HA 0.298 4.465 4.170 -0.004 0.000 0.290 179 I C -2.492 173.686 176.117 0.102 0.000 1.008 179 I CA -2.049 59.309 61.300 0.097 0.000 1.226 179 I CB 1.238 39.264 38.000 0.043 0.000 1.371 179 I HN 0.219 8.429 8.210 -0.000 0.000 0.468 180 P HA 0.156 4.576 4.420 -0.000 0.000 0.276 180 P C -0.876 176.469 177.300 0.075 0.000 1.230 180 P CA -0.163 62.979 63.100 0.070 0.000 0.776 180 P CB 1.003 32.737 31.700 0.057 0.000 0.888 181 V N 5.838 125.802 119.914 0.084 0.000 2.376 181 V HA 0.367 4.485 4.120 -0.004 0.000 0.287 181 V C 0.110 176.279 176.094 0.125 0.000 1.015 181 V CA -0.364 62.015 62.300 0.131 0.000 0.834 181 V CB 1.066 32.975 31.823 0.144 0.000 1.001 181 V HN 0.398 8.588 8.190 -0.000 0.000 0.428 182 I N 4.094 124.714 120.570 0.083 0.000 2.354 182 I HA 0.701 4.868 4.170 -0.004 0.000 0.292 182 I C 0.612 176.593 176.117 -0.228 0.000 0.989 182 I CA -0.466 60.825 61.300 -0.015 0.000 1.188 182 I CB 1.804 39.790 38.000 -0.023 0.000 1.342 182 I HN 0.631 8.841 8.210 -0.000 0.000 0.457 183 A N 8.341 131.045 122.820 -0.192 0.000 2.327 183 A HA 0.564 4.882 4.320 -0.004 0.000 0.283 183 A C -2.233 175.232 177.584 -0.199 0.000 1.127 183 A CA -1.422 50.402 52.037 -0.355 0.000 0.810 183 A CB 0.023 19.004 19.000 -0.032 0.000 1.066 183 A HN 0.533 8.683 8.150 -0.000 0.000 0.492 184 P HA 0.319 4.739 4.420 -0.000 0.000 0.225 184 P C -0.988 176.302 177.300 -0.017 0.000 1.813 184 P CA 0.458 63.510 63.100 -0.081 0.000 1.013 184 P CB -0.376 31.281 31.700 -0.071 0.000 1.961 185 I N 0.923 121.491 120.570 -0.003 0.000 2.436 185 I HA 0.467 4.635 4.170 -0.004 0.000 0.289 185 I C 0.807 176.954 176.117 0.049 0.000 1.010 185 I CA -0.694 60.626 61.300 0.032 0.000 1.098 185 I CB 2.411 40.424 38.000 0.021 0.000 1.266 185 I HN 0.107 8.317 8.210 -0.000 0.000 0.434 186 G N 5.042 113.903 108.800 0.102 0.000 2.491 186 G HA2 0.689 4.647 3.960 -0.004 0.000 0.327 186 G HA3 0.689 4.647 3.960 -0.004 0.000 0.327 186 G C -0.816 174.184 174.900 0.166 0.000 1.189 186 G CA -0.422 44.748 45.100 0.117 0.000 0.956 186 G HN 0.332 8.622 8.290 -0.000 0.000 0.491 187 V N -0.236 119.762 119.914 0.139 0.000 2.667 187 V HA 0.793 4.910 4.120 -0.004 0.000 0.308 187 V C 0.941 177.157 176.094 0.203 0.000 1.048 187 V CA -0.312 62.066 62.300 0.131 0.000 0.928 187 V CB 1.336 33.194 31.823 0.058 0.000 1.004 187 V HN 0.998 9.188 8.190 -0.000 0.000 0.444 188 G N 0.914 109.854 108.800 0.233 0.000 2.557 188 G HA2 0.436 4.394 3.960 -0.004 0.000 0.302 188 G HA3 0.436 4.394 3.960 -0.004 0.000 0.302 188 G C 1.108 176.079 174.900 0.119 0.000 1.311 188 G CA 0.295 45.560 45.100 0.275 0.000 1.030 188 G HN 0.926 9.216 8.290 -0.000 0.000 0.509 189 S N -0.426 115.333 115.700 0.099 0.000 2.370 189 S HA -0.153 4.315 4.470 -0.004 0.000 0.226 189 S C 1.368 175.990 174.600 0.037 0.000 1.033 189 S CA 1.523 59.755 58.200 0.053 0.000 1.011 189 S CB -0.301 62.926 63.200 0.045 0.000 0.852 189 S HN 0.527 8.837 8.310 -0.000 0.000 0.457 190 N N 1.375 120.096 118.700 0.035 0.000 2.314 190 N HA 0.232 4.970 4.740 -0.004 0.000 0.200 190 N C 1.034 176.541 175.510 -0.006 0.000 1.135 190 N CA 0.643 53.700 53.050 0.012 0.000 0.835 190 N CB 0.534 39.025 38.487 0.006 0.000 0.989 190 N HN 0.721 9.101 8.380 -0.000 0.000 0.478 191 G N 1.419 110.220 108.800 0.001 0.000 2.136 191 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.242 191 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.242 191 G C -0.241 174.618 174.900 -0.069 0.000 0.989 191 G CA -0.073 45.014 45.100 -0.022 0.000 0.682 191 G HN 0.409 8.699 8.290 -0.000 0.000 0.522 192 E N 0.575 120.714 120.200 -0.101 0.000 2.371 192 E HA 0.645 4.993 4.350 -0.004 0.000 0.257 192 E C 0.411 176.824 176.600 -0.312 0.000 1.134 192 E CA -0.073 56.171 56.400 -0.260 0.000 0.919 192 E CB 0.715 30.187 29.700 -0.380 0.000 1.025 192 E HN 0.177 8.537 8.360 -0.000 0.000 0.438 193 S N 0.340 115.782 115.700 -0.431 0.000 2.509 193 S HA 0.513 4.981 4.470 -0.004 0.000 0.297 193 S C -1.061 173.248 174.600 -0.485 0.000 1.118 193 S CA -0.671 57.346 58.200 -0.305 0.000 1.074 193 S CB 0.299 63.377 63.200 -0.203 0.000 1.038 193 S HN 0.344 8.654 8.310 -0.000 0.000 0.498 194 Y N 1.073 121.360 120.300 -0.022 0.000 2.536 194 Y HA 0.488 5.035 4.550 -0.004 0.000 0.347 194 Y C 0.186 176.095 175.900 0.015 0.000 1.000 194 Y CA -1.018 57.091 58.100 0.014 0.000 1.051 194 Y CB 1.450 39.921 38.460 0.018 0.000 1.259 194 Y HN 0.555 8.835 8.280 -0.000 0.000 0.468 195 N N 2.049 120.874 118.700 0.208 0.000 2.476 195 N HA 0.466 5.204 4.740 -0.004 0.000 0.257 195 N C -1.702 173.875 175.510 0.111 0.000 0.970 195 N CA -0.155 52.966 53.050 0.118 0.000 0.938 195 N CB 0.408 38.946 38.487 0.085 0.000 1.144 195 N HN 0.557 8.937 8.380 -0.000 0.000 0.500 196 I N 1.610 122.225 120.570 0.076 0.000 2.648 196 I HA 0.321 4.489 4.170 -0.004 0.000 0.304 196 I C 0.813 176.951 176.117 0.034 0.000 1.009 196 I CA -0.881 60.448 61.300 0.048 0.000 1.114 196 I CB 1.475 39.492 38.000 0.028 0.000 1.293 196 I HN 0.503 8.713 8.210 -0.000 0.000 0.449 197 N N 2.921 121.640 118.700 0.030 0.000 2.454 197 N HA 0.027 4.764 4.740 -0.004 0.000 0.260 197 N C 0.960 176.475 175.510 0.008 0.000 1.218 197 N CA 0.229 53.296 53.050 0.028 0.000 0.904 197 N CB 1.059 39.561 38.487 0.025 0.000 1.065 197 N HN 0.833 9.213 8.380 -0.000 0.000 0.462 198 A N 3.902 126.723 122.820 0.003 0.000 1.972 198 A HA -0.171 4.147 4.320 -0.004 0.000 0.219 198 A C 1.607 179.181 177.584 -0.016 0.000 1.169 198 A CA 1.303 53.329 52.037 -0.018 0.000 0.635 198 A CB -0.154 18.833 19.000 -0.021 0.000 0.810 198 A HN 0.810 8.960 8.150 -0.000 0.000 0.446 199 D N 0.303 120.697 120.400 -0.010 0.000 2.097 199 D HA -0.126 4.512 4.640 -0.004 0.000 0.195 199 D C 2.008 178.304 176.300 -0.008 0.000 0.989 199 D CA 1.223 55.216 54.000 -0.011 0.000 0.827 199 D CB -0.346 40.447 40.800 -0.012 0.000 0.966 199 D HN 0.483 8.853 8.370 -0.000 0.000 0.456 200 L N 0.473 121.693 121.223 -0.005 0.000 2.046 200 L HA -0.140 4.198 4.340 -0.004 0.000 0.208 200 L C 2.625 179.491 176.870 -0.008 0.000 1.077 200 L CA 0.674 55.511 54.840 -0.005 0.000 0.747 200 L CB -0.632 41.425 42.059 -0.003 0.000 0.896 200 L HN -0.064 8.165 8.230 -0.000 0.000 0.432 201 V N 0.427 120.335 119.914 -0.011 0.000 2.295 201 V HA -0.278 3.840 4.120 -0.004 0.000 0.246 201 V C 2.843 178.930 176.094 -0.012 0.000 1.049 201 V CA 1.825 64.116 62.300 -0.014 0.000 1.024 201 V CB -0.910 30.898 31.823 -0.024 0.000 0.648 201 V HN 0.479 8.669 8.190 -0.000 0.000 0.447 202 A N 0.477 123.290 122.820 -0.011 0.000 1.940 202 A HA -0.117 4.201 4.320 -0.004 0.000 0.219 202 A C 2.392 179.975 177.584 -0.001 0.000 1.176 202 A CA 2.015 54.050 52.037 -0.004 0.000 0.631 202 A CB -1.153 17.847 19.000 -0.001 0.000 0.814 202 A HN 0.539 8.689 8.150 -0.000 0.000 0.446 203 G N -0.275 108.524 108.800 -0.002 0.000 2.404 203 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.215 203 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.215 203 G C 1.575 176.476 174.900 0.002 0.000 1.174 203 G CA 0.965 46.065 45.100 0.001 0.000 0.780 203 G HN 0.392 8.682 8.290 -0.000 0.000 0.537 204 K N 0.427 120.827 120.400 -0.001 0.000 2.147 204 K HA 0.006 4.323 4.320 -0.004 0.000 0.205 204 K C 2.563 179.165 176.600 0.002 0.000 1.049 204 K CA 0.548 56.834 56.287 -0.001 0.000 0.936 204 K CB -0.789 31.707 32.500 -0.006 0.000 0.722 204 K HN 0.302 8.552 8.250 -0.000 0.000 0.446 205 V N 1.319 121.234 119.914 0.002 0.000 2.379 205 V HA -0.179 3.939 4.120 -0.004 0.000 0.245 205 V C 2.435 178.535 176.094 0.010 0.000 1.044 205 V CA 1.785 64.089 62.300 0.006 0.000 1.036 205 V CB -0.679 31.148 31.823 0.006 0.000 0.664 205 V HN 0.263 8.453 8.190 -0.000 0.000 0.453 206 A N -0.476 122.349 122.820 0.009 0.000 1.902 206 A HA -0.251 4.067 4.320 -0.004 0.000 0.217 206 A C 2.156 179.749 177.584 0.015 0.000 1.181 206 A CA 1.949 53.993 52.037 0.012 0.000 0.623 206 A CB -0.475 18.531 19.000 0.009 0.000 0.818 206 A HN 0.609 8.759 8.150 -0.000 0.000 0.443 207 E N -0.349 119.859 120.200 0.013 0.000 2.023 207 E HA -0.163 4.185 4.350 -0.004 0.000 0.196 207 E C 2.393 179.001 176.600 0.014 0.000 1.003 207 E CA 1.103 57.512 56.400 0.014 0.000 0.809 207 E CB -0.334 29.372 29.700 0.010 0.000 0.755 207 E HN 0.598 8.958 8.360 -0.000 0.000 0.449 208 A N 1.068 123.895 122.820 0.011 0.000 1.917 208 A HA -0.191 4.127 4.320 -0.004 0.000 0.219 208 A C 2.093 179.687 177.584 0.015 0.000 1.182 208 A CA 1.342 53.386 52.037 0.012 0.000 0.633 208 A CB -0.662 18.344 19.000 0.009 0.000 0.819 208 A HN 0.191 8.341 8.150 -0.000 0.000 0.448 209 L N -1.248 119.986 121.223 0.018 0.000 2.599 209 L HA 0.011 4.349 4.340 -0.004 0.000 0.230 209 L C -0.025 176.860 176.870 0.025 0.000 1.141 209 L CA -0.093 54.760 54.840 0.022 0.000 0.877 209 L CB -0.193 41.879 42.059 0.023 0.000 1.009 209 L HN 0.207 8.437 8.230 -0.000 0.000 0.447 210 K N 0.465 120.879 120.400 0.024 0.000 3.689 210 K HA -0.182 4.136 4.320 -0.004 0.000 0.276 210 K C 0.169 176.790 176.600 0.036 0.000 0.932 210 K CA 0.819 57.124 56.287 0.029 0.000 0.758 210 K CB -1.743 30.774 32.500 0.028 0.000 1.500 210 K HN 0.322 8.572 8.250 -0.000 0.000 0.448 211 A N 0.667 123.508 122.820 0.034 0.000 2.371 211 A HA 0.273 4.591 4.320 -0.004 0.000 0.257 211 A C 1.572 179.189 177.584 0.054 0.000 1.089 211 A CA 0.066 52.126 52.037 0.038 0.000 0.794 211 A CB 0.568 19.581 19.000 0.023 0.000 1.029 211 A HN 0.384 8.534 8.150 -0.000 0.000 0.488 212 E N 0.810 121.053 120.200 0.073 0.000 2.110 212 E HA -0.057 4.291 4.350 -0.004 0.000 0.193 212 E C 0.282 176.945 176.600 0.106 0.000 0.988 212 E CA 1.717 58.189 56.400 0.120 0.000 0.804 212 E CB 0.015 29.835 29.700 0.200 0.000 0.745 212 E HN 0.575 8.935 8.360 -0.000 0.000 0.458 213 K N -0.922 119.498 120.400 0.034 0.000 2.502 213 K HA 0.398 4.715 4.320 -0.004 0.000 0.257 213 K C -1.908 174.657 176.600 -0.059 0.000 0.938 213 K CA -1.030 55.250 56.287 -0.010 0.000 0.819 213 K CB 1.783 34.220 32.500 -0.105 0.000 1.333 213 K HN 0.023 8.273 8.250 -0.000 0.000 0.434 214 L N 3.546 124.728 121.223 -0.069 0.000 2.342 214 L HA 0.501 4.839 4.340 -0.004 0.000 0.276 214 L C -1.384 175.399 176.870 -0.144 0.000 0.997 214 L CA -0.240 54.559 54.840 -0.068 0.000 0.838 214 L CB 1.249 43.298 42.059 -0.017 0.000 1.224 214 L HN 0.570 8.800 8.230 -0.000 0.000 0.416 215 M N 6.667 126.170 119.600 -0.161 0.000 2.088 215 M HA 0.407 4.885 4.480 -0.004 0.000 0.346 215 M C -1.038 175.219 176.300 -0.072 0.000 1.111 215 M CA -0.353 54.832 55.300 -0.191 0.000 1.017 215 M CB 1.392 33.871 32.600 -0.201 0.000 1.568 215 M HN 0.494 8.784 8.290 -0.000 0.000 0.445 216 L N 5.487 126.677 121.223 -0.055 0.000 2.277 216 L HA 0.478 4.816 4.340 -0.004 0.000 0.284 216 L C -0.467 176.382 176.870 -0.035 0.000 1.028 216 L CA -0.558 54.263 54.840 -0.032 0.000 0.835 216 L CB 0.858 42.903 42.059 -0.024 0.000 1.215 216 L HN 0.613 8.843 8.230 -0.000 0.000 0.425 217 L N 3.016 124.212 121.223 -0.044 0.000 2.313 217 L HA 0.339 4.677 4.340 -0.004 0.000 0.282 217 L C 0.490 177.301 176.870 -0.100 0.000 1.092 217 L CA 0.342 55.144 54.840 -0.063 0.000 0.831 217 L CB 1.153 43.161 42.059 -0.084 0.000 1.159 217 L HN 0.578 8.808 8.230 -0.000 0.000 0.442 218 T N 1.335 115.840 114.554 -0.082 0.000 2.768 218 T HA 0.259 4.607 4.350 -0.004 0.000 0.268 218 T C 0.641 175.284 174.700 -0.096 0.000 0.969 218 T CA -0.611 61.433 62.100 -0.093 0.000 1.008 218 T CB 1.204 70.030 68.868 -0.071 0.000 1.371 218 T HN 0.819 9.059 8.240 -0.000 0.000 0.587 219 N N 0.526 119.171 118.700 -0.092 0.000 2.321 219 N HA 0.291 5.029 4.740 -0.004 0.000 0.242 219 N C 0.835 176.304 175.510 -0.067 0.000 1.141 219 N CA -0.105 52.895 53.050 -0.084 0.000 0.864 219 N CB 0.554 38.986 38.487 -0.090 0.000 1.100 219 N HN 0.452 8.832 8.380 -0.000 0.000 0.510 220 I N -1.629 118.906 120.570 -0.059 0.000 4.317 220 I HA 0.342 4.509 4.170 -0.004 0.000 0.289 220 I C 0.609 176.704 176.117 -0.037 0.000 1.164 220 I CA 0.642 61.912 61.300 -0.051 0.000 1.312 220 I CB 0.880 38.843 38.000 -0.063 0.000 1.569 220 I HN 0.163 8.373 8.210 -0.000 0.000 0.450 221 A N 0.218 123.019 122.820 -0.031 0.000 2.973 221 A HA 0.397 4.715 4.320 -0.004 0.000 0.215 221 A C 0.679 178.255 177.584 -0.014 0.000 2.234 221 A CA 0.617 52.642 52.037 -0.019 0.000 1.408 221 A CB -0.893 18.095 19.000 -0.019 0.000 0.698 221 A HN 0.965 9.115 8.150 -0.000 0.000 0.460 222 G N -1.177 107.610 108.800 -0.022 0.000 2.356 222 G HA2 0.508 4.466 3.960 -0.004 0.000 0.288 222 G HA3 0.508 4.466 3.960 -0.004 0.000 0.288 222 G C -1.087 173.796 174.900 -0.028 0.000 1.302 222 G CA -0.234 44.856 45.100 -0.016 0.000 0.887 222 G HN 1.372 9.662 8.290 -0.000 0.000 0.521 223 L N 0.421 121.630 121.223 -0.024 0.000 2.410 223 L HA 0.707 5.044 4.340 -0.004 0.000 0.273 223 L C 0.289 177.144 176.870 -0.026 0.000 1.144 223 L CA -0.131 54.689 54.840 -0.032 0.000 0.863 223 L CB 0.243 42.288 42.059 -0.022 0.000 1.140 223 L HN 0.624 8.854 8.230 -0.000 0.000 0.463 224 M N 3.075 122.655 119.600 -0.033 0.000 2.662 224 M HA 0.356 4.834 4.480 -0.004 0.000 0.310 224 M C -0.256 176.041 176.300 -0.006 0.000 1.204 224 M CA -0.737 54.552 55.300 -0.018 0.000 0.891 224 M CB 1.714 34.302 32.600 -0.021 0.000 1.732 224 M HN 0.525 8.815 8.290 -0.000 0.000 0.467 225 D N 0.450 120.853 120.400 0.004 0.000 2.273 225 D HA 0.052 4.689 4.640 -0.004 0.000 0.247 225 D C 0.651 176.966 176.300 0.026 0.000 1.313 225 D CA 0.399 54.407 54.000 0.014 0.000 0.974 225 D CB 0.536 41.343 40.800 0.012 0.000 1.157 225 D HN 0.436 8.806 8.370 -0.000 0.000 0.533 226 K N -0.593 119.826 120.400 0.031 0.000 2.314 226 K HA -0.022 4.296 4.320 -0.004 0.000 0.198 226 K C 1.206 177.824 176.600 0.030 0.000 1.045 226 K CA 0.554 56.866 56.287 0.042 0.000 0.988 226 K CB 0.147 32.669 32.500 0.038 0.000 0.783 226 K HN 0.241 8.491 8.250 -0.000 0.000 0.484 227 Q N -0.485 119.327 119.800 0.020 0.000 2.280 227 Q HA 0.147 4.485 4.340 -0.004 0.000 0.202 227 Q C 0.690 176.696 176.000 0.011 0.000 0.903 227 Q CA 0.424 56.236 55.803 0.014 0.000 0.948 227 Q CB 0.952 29.696 28.738 0.010 0.000 1.058 227 Q HN 0.414 8.684 8.270 -0.000 0.000 0.493 228 G N 0.142 108.948 108.800 0.011 0.000 2.179 228 G HA2 -0.367 3.591 3.960 -0.004 0.000 0.260 228 G HA3 -0.367 3.591 3.960 -0.004 0.000 0.260 228 G C 0.210 175.110 174.900 -0.000 0.000 0.977 228 G CA 0.304 45.406 45.100 0.004 0.000 0.641 228 G HN 0.375 8.665 8.290 -0.000 0.000 0.533 229 Q N 0.126 119.926 119.800 0.001 0.000 2.354 229 Q HA 0.565 4.903 4.340 -0.004 0.000 0.244 229 Q C 0.378 176.376 176.000 -0.003 0.000 0.969 229 Q CA -0.256 55.547 55.803 -0.001 0.000 0.885 229 Q CB 1.239 29.978 28.738 0.001 0.000 1.241 229 Q HN 0.366 8.636 8.270 -0.000 0.000 0.461 230 V N 5.018 124.929 119.914 -0.005 0.000 2.406 230 V HA 0.245 4.363 4.120 -0.004 0.000 0.272 230 V C -0.122 175.969 176.094 -0.006 0.000 1.043 230 V CA -0.446 61.850 62.300 -0.007 0.000 0.915 230 V CB 0.591 32.410 31.823 -0.007 0.000 0.988 230 V HN 0.674 8.864 8.190 -0.000 0.000 0.466 231 L N 4.668 125.888 121.223 -0.006 0.000 2.312 231 L HA 0.614 4.952 4.340 -0.004 0.000 0.281 231 L C 0.326 177.192 176.870 -0.007 0.000 1.070 231 L CA 0.184 55.021 54.840 -0.005 0.000 0.805 231 L CB 1.542 43.599 42.059 -0.003 0.000 1.174 231 L HN 0.698 8.928 8.230 -0.000 0.000 0.434 232 T N 0.559 115.108 114.554 -0.008 0.000 2.883 232 T HA 0.538 4.886 4.350 -0.004 0.000 0.296 232 T C 0.372 175.064 174.700 -0.014 0.000 1.117 232 T CA 0.215 62.306 62.100 -0.015 0.000 1.006 232 T CB 1.610 70.465 68.868 -0.023 0.000 1.191 232 T HN 0.932 9.172 8.240 -0.000 0.000 0.508 233 G N 2.300 111.088 108.800 -0.021 0.000 2.357 233 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.282 233 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.282 233 G C -0.128 174.770 174.900 -0.004 0.000 0.910 233 G CA 0.945 46.036 45.100 -0.014 0.000 1.267 233 G HN 0.732 9.022 8.290 -0.000 0.000 0.476 234 L N 0.221 121.444 121.223 0.000 0.000 2.416 234 L HA 0.687 5.025 4.340 -0.004 0.000 0.262 234 L C 1.186 178.060 176.870 0.007 0.000 1.093 234 L CA -0.351 54.491 54.840 0.004 0.000 0.801 234 L CB 1.521 43.583 42.059 0.005 0.000 1.191 234 L HN 0.464 8.694 8.230 -0.000 0.000 0.459 235 S N -1.434 114.271 115.700 0.008 0.000 2.730 235 S HA 0.251 4.719 4.470 -0.004 0.000 0.284 235 S C 0.717 175.323 174.600 0.010 0.000 1.153 235 S CA -0.514 57.691 58.200 0.009 0.000 0.995 235 S CB 1.470 64.675 63.200 0.008 0.000 1.058 235 S HN 0.583 8.893 8.310 -0.000 0.000 0.552 236 T N 1.124 115.684 114.554 0.011 0.000 3.035 236 T HA 0.033 4.380 4.350 -0.004 0.000 0.268 236 T C 0.985 175.691 174.700 0.010 0.000 1.109 236 T CA 1.281 63.387 62.100 0.011 0.000 1.119 236 T CB -0.343 68.531 68.868 0.011 0.000 0.900 236 T HN 0.618 8.858 8.240 -0.000 0.000 0.503 237 E N 1.136 121.341 120.200 0.009 0.000 2.250 237 E HA 0.060 4.408 4.350 -0.004 0.000 0.192 237 E C 2.261 178.867 176.600 0.009 0.000 0.986 237 E CA 0.597 57.002 56.400 0.009 0.000 0.849 237 E CB -0.082 29.622 29.700 0.008 0.000 0.797 237 E HN 0.546 8.906 8.360 -0.000 0.000 0.482 238 Q N -0.257 119.548 119.800 0.009 0.000 2.204 238 Q HA 0.048 4.385 4.340 -0.004 0.000 0.198 238 Q C 2.067 178.073 176.000 0.010 0.000 0.946 238 Q CA 0.720 56.528 55.803 0.009 0.000 0.859 238 Q CB 0.180 28.923 28.738 0.008 0.000 0.946 238 Q HN 0.094 8.364 8.270 -0.000 0.000 0.474 239 V N 2.214 122.134 119.914 0.010 0.000 2.490 239 V HA -0.255 3.862 4.120 -0.004 0.000 0.250 239 V C 1.628 177.730 176.094 0.014 0.000 1.061 239 V CA 1.669 63.976 62.300 0.011 0.000 1.064 239 V CB -0.493 31.336 31.823 0.010 0.000 0.670 239 V HN 0.384 8.574 8.190 -0.000 0.000 0.461 240 N N 0.114 118.821 118.700 0.013 0.000 2.142 240 N HA -0.138 4.600 4.740 -0.004 0.000 0.186 240 N C 1.854 177.373 175.510 0.015 0.000 1.023 240 N CA 1.280 54.339 53.050 0.014 0.000 0.852 240 N CB -0.241 38.253 38.487 0.012 0.000 0.998 240 N HN 0.572 8.952 8.380 -0.000 0.000 0.424 241 E N 0.393 120.601 120.200 0.014 0.000 2.150 241 E HA -0.033 4.315 4.350 -0.004 0.000 0.193 241 E C 1.901 178.511 176.600 0.018 0.000 0.985 241 E CA 0.392 56.800 56.400 0.014 0.000 0.814 241 E CB -0.010 29.697 29.700 0.012 0.000 0.752 241 E HN 0.279 8.639 8.360 -0.000 0.000 0.466 242 L N 1.081 122.316 121.223 0.019 0.000 2.056 242 L HA -0.125 4.213 4.340 -0.004 0.000 0.207 242 L C 2.527 179.418 176.870 0.035 0.000 1.078 242 L CA 0.492 55.346 54.840 0.025 0.000 0.749 242 L CB -0.316 41.755 42.059 0.020 0.000 0.901 242 L HN 0.304 8.534 8.230 -0.000 0.000 0.433 243 I N -0.215 120.374 120.570 0.032 0.000 2.617 243 I HA -0.103 4.065 4.170 -0.004 0.000 0.256 243 I C 2.285 178.425 176.117 0.039 0.000 1.167 243 I CA 1.612 62.938 61.300 0.042 0.000 1.469 243 I CB -0.761 37.260 38.000 0.036 0.000 1.098 243 I HN 0.103 8.313 8.210 -0.000 0.000 0.436 244 A N 1.632 124.468 122.820 0.027 0.000 2.121 244 A HA -0.174 4.144 4.320 -0.004 0.000 0.218 244 A C 1.345 178.941 177.584 0.020 0.000 1.154 244 A CA 1.652 53.701 52.037 0.021 0.000 0.679 244 A CB -0.802 18.207 19.000 0.016 0.000 0.795 244 A HN 0.719 8.870 8.150 -0.000 0.000 0.458 245 D N -4.032 116.383 120.400 0.025 0.000 2.469 245 D HA 0.352 4.990 4.640 -0.004 0.000 0.215 245 D C 0.953 177.268 176.300 0.026 0.000 1.154 245 D CA 0.617 54.629 54.000 0.020 0.000 0.832 245 D CB -0.307 40.504 40.800 0.018 0.000 1.008 245 D HN 0.599 8.969 8.370 -0.000 0.000 0.506 246 G N -0.358 108.468 108.800 0.043 0.000 2.157 246 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.239 246 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.239 246 G C 1.141 176.119 174.900 0.131 0.000 0.982 246 G CA 0.548 45.683 45.100 0.059 0.000 0.650 246 G HN 0.313 8.603 8.290 -0.000 0.000 0.527 247 T N 0.338 114.956 114.554 0.107 0.000 2.777 247 T HA 0.190 4.538 4.350 -0.004 0.000 0.266 247 T C 1.259 176.045 174.700 0.143 0.000 1.040 247 T CA 1.295 63.462 62.100 0.113 0.000 1.141 247 T CB 0.071 68.974 68.868 0.059 0.000 0.868 247 T HN 0.469 8.709 8.240 -0.000 0.000 0.444 248 I N 1.695 122.336 120.570 0.119 0.000 2.354 248 I HA 0.482 4.650 4.170 -0.004 0.000 0.292 248 I C -0.595 175.614 176.117 0.153 0.000 0.989 248 I CA -1.152 60.184 61.300 0.061 0.000 1.188 248 I CB 1.205 39.216 38.000 0.018 0.000 1.342 248 I HN 0.273 8.483 8.210 -0.000 0.000 0.457 249 Y N 3.854 124.152 120.300 -0.004 0.000 2.905 249 Y HA 0.823 5.370 4.550 -0.005 0.000 0.322 249 Y C 0.387 176.283 175.900 -0.007 0.000 1.455 249 Y CA -0.502 57.595 58.100 -0.004 0.000 1.083 249 Y CB 0.218 38.675 38.460 -0.004 0.000 1.473 249 Y HN 0.783 9.063 8.280 -0.000 0.000 0.449 250 G N 0.398 109.366 108.800 0.279 0.000 2.564 250 G HA2 -0.133 3.825 3.960 -0.004 0.000 0.273 250 G HA3 -0.133 3.825 3.960 -0.004 0.000 0.273 250 G C 0.948 175.846 174.900 -0.005 0.000 1.242 250 G CA 0.641 45.815 45.100 0.123 0.000 0.951 250 G HN 1.923 10.213 8.290 -0.000 0.000 0.564 251 G N -0.934 107.835 108.800 -0.051 0.000 2.559 251 G HA2 0.118 4.076 3.960 -0.004 0.000 0.216 251 G HA3 0.118 4.076 3.960 -0.004 0.000 0.216 251 G C 1.677 176.536 174.900 -0.068 0.000 1.126 251 G CA 1.911 46.981 45.100 -0.050 0.000 0.778 251 G HN 0.856 9.146 8.290 -0.000 0.000 0.543 252 M N -0.226 119.304 119.600 -0.117 0.000 2.394 252 M HA 0.216 4.694 4.480 -0.004 0.000 0.264 252 M C 1.994 178.257 176.300 -0.062 0.000 1.073 252 M CA 0.714 55.948 55.300 -0.110 0.000 1.111 252 M CB -0.182 32.313 32.600 -0.175 0.000 1.401 252 M HN 0.132 8.422 8.290 -0.000 0.000 0.448 253 L N 0.638 121.838 121.223 -0.038 0.000 1.961 253 L HA -0.055 4.283 4.340 -0.004 0.000 0.210 253 L C -0.731 176.138 176.870 -0.002 0.000 1.072 253 L CA 2.388 57.225 54.840 -0.004 0.000 0.749 253 L CB -1.938 40.136 42.059 0.025 0.000 0.889 253 L HN 0.142 8.372 8.230 -0.000 0.000 0.432 254 P HA -0.208 4.212 4.420 -0.000 0.000 0.217 254 P C 1.525 178.823 177.300 -0.004 0.000 1.148 254 P CA 1.504 64.605 63.100 0.002 0.000 0.828 254 P CB 0.006 31.710 31.700 0.006 0.000 0.783 255 K N -0.075 120.316 120.400 -0.014 0.000 1.985 255 K HA -0.137 4.181 4.320 -0.004 0.000 0.210 255 K C 1.945 178.539 176.600 -0.009 0.000 1.047 255 K CA 1.578 57.855 56.287 -0.017 0.000 0.932 255 K CB -0.552 31.929 32.500 -0.031 0.000 0.716 255 K HN 0.055 8.305 8.250 -0.000 0.000 0.439 256 I N 0.180 120.744 120.570 -0.010 0.000 2.252 256 I HA -0.227 3.941 4.170 -0.004 0.000 0.245 256 I C 2.416 178.536 176.117 0.004 0.000 1.102 256 I CA 1.068 62.367 61.300 -0.001 0.000 1.385 256 I CB -0.339 37.659 38.000 -0.002 0.000 1.064 256 I HN 0.116 8.326 8.210 -0.000 0.000 0.414 257 R N 0.501 121.003 120.500 0.004 0.000 2.120 257 R HA -0.188 4.150 4.340 -0.004 0.000 0.234 257 R C 2.533 178.836 176.300 0.006 0.000 1.123 257 R CA 1.786 57.890 56.100 0.006 0.000 0.975 257 R CB -0.552 29.752 30.300 0.007 0.000 0.866 257 R HN 0.623 8.893 8.270 -0.000 0.000 0.446 258 C N -0.593 118.709 119.300 0.004 0.000 2.468 258 C HA 0.239 4.697 4.460 -0.004 0.000 0.277 258 C C 2.577 177.572 174.990 0.007 0.000 1.400 258 C CA 0.257 59.277 59.018 0.004 0.000 1.770 258 C CB -0.493 27.247 27.740 0.000 0.000 1.905 258 C HN 0.454 8.684 8.230 -0.000 0.000 0.519 259 A N 1.194 124.020 122.820 0.010 0.000 1.874 259 A HA 0.162 4.480 4.320 -0.004 0.000 0.214 259 A C 2.251 179.848 177.584 0.021 0.000 1.189 259 A CA 1.369 53.416 52.037 0.018 0.000 0.615 259 A CB -0.628 18.386 19.000 0.022 0.000 0.830 259 A HN 0.623 8.773 8.150 -0.000 0.000 0.443 260 L N -0.523 120.711 121.223 0.017 0.000 1.970 260 L HA -0.244 4.093 4.340 -0.004 0.000 0.212 260 L C 2.616 179.496 176.870 0.017 0.000 1.071 260 L CA 1.897 56.747 54.840 0.018 0.000 0.751 260 L CB -0.782 41.285 42.059 0.014 0.000 0.889 260 L HN 0.460 8.690 8.230 -0.000 0.000 0.432 261 E N -0.017 120.191 120.200 0.013 0.000 2.108 261 E HA -0.339 4.009 4.350 -0.004 0.000 0.203 261 E C 2.202 178.810 176.600 0.013 0.000 1.022 261 E CA 1.547 57.953 56.400 0.011 0.000 0.823 261 E CB -0.225 29.479 29.700 0.007 0.000 0.744 261 E HN 0.542 8.902 8.360 -0.000 0.000 0.456 262 A N 0.507 123.336 122.820 0.015 0.000 1.940 262 A HA -0.162 4.156 4.320 -0.004 0.000 0.219 262 A C 2.429 180.028 177.584 0.024 0.000 1.176 262 A CA 1.440 53.488 52.037 0.019 0.000 0.631 262 A CB -0.440 18.572 19.000 0.020 0.000 0.814 262 A HN 0.152 8.302 8.150 -0.000 0.000 0.446 263 V N -0.446 119.484 119.914 0.027 0.000 2.488 263 V HA -0.203 3.915 4.120 -0.004 0.000 0.246 263 V C 2.198 178.307 176.094 0.025 0.000 1.046 263 V CA 1.853 64.171 62.300 0.031 0.000 1.053 263 V CB -0.754 31.089 31.823 0.034 0.000 0.679 263 V HN 0.644 8.834 8.190 -0.000 0.000 0.458 264 Q N 0.165 119.977 119.800 0.020 0.000 2.415 264 Q HA 0.132 4.470 4.340 -0.004 0.000 0.206 264 Q C 1.618 177.627 176.000 0.015 0.000 0.946 264 Q CA 0.731 56.543 55.803 0.016 0.000 0.951 264 Q CB 0.181 28.927 28.738 0.013 0.000 1.026 264 Q HN 0.645 8.915 8.270 -0.000 0.000 0.510 265 G N -1.455 107.355 108.800 0.017 0.000 3.695 265 G HA2 0.396 4.354 3.960 -0.004 0.000 0.277 265 G HA3 0.396 4.354 3.960 -0.004 0.000 0.277 265 G C 0.662 175.573 174.900 0.018 0.000 1.001 265 G CA 0.084 45.193 45.100 0.015 0.000 0.837 265 G HN 0.318 8.608 8.290 -0.000 0.000 0.492 266 G N -0.779 108.034 108.800 0.022 0.000 2.211 266 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.201 266 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.201 266 G C 0.150 175.070 174.900 0.032 0.000 0.997 266 G CA 0.017 45.132 45.100 0.026 0.000 0.652 266 G HN 0.701 8.991 8.290 -0.000 0.000 0.500 267 V N 2.234 122.168 119.914 0.034 0.000 2.498 267 V HA 0.405 4.523 4.120 -0.004 0.000 0.279 267 V C 1.917 178.044 176.094 0.055 0.000 1.048 267 V CA 0.764 63.090 62.300 0.043 0.000 0.967 267 V CB 1.133 32.979 31.823 0.038 0.000 0.988 267 V HN 0.346 8.536 8.190 -0.000 0.000 0.473 268 T N 3.487 118.082 114.554 0.069 0.000 2.555 268 T HA -0.092 4.256 4.350 -0.004 0.000 0.264 268 T C 0.740 175.495 174.700 0.091 0.000 1.083 268 T CA 1.925 64.074 62.100 0.082 0.000 1.179 268 T CB -0.037 68.895 68.868 0.108 0.000 0.863 268 T HN 0.841 9.081 8.240 -0.000 0.000 0.412 269 S N -0.394 115.380 115.700 0.123 0.000 2.570 269 S HA 0.799 5.266 4.470 -0.004 0.000 0.286 269 S C -1.102 173.615 174.600 0.194 0.000 1.099 269 S CA -1.023 57.266 58.200 0.148 0.000 0.913 269 S CB 2.489 65.790 63.200 0.168 0.000 1.085 269 S HN 0.544 8.854 8.310 -0.000 0.000 0.480 270 A N 1.867 124.813 122.820 0.210 0.000 2.343 270 A HA 0.786 5.104 4.320 -0.004 0.000 0.308 270 A C -0.790 176.981 177.584 0.311 0.000 1.092 270 A CA -0.877 51.274 52.037 0.191 0.000 0.751 270 A CB 0.433 19.486 19.000 0.087 0.000 1.203 270 A HN 1.043 9.193 8.150 -0.000 0.000 0.452 271 H N 1.201 120.273 119.070 0.004 0.000 2.600 271 H HA 0.638 5.191 4.556 -0.004 0.000 0.357 271 H C -0.918 174.407 175.328 -0.005 0.000 1.106 271 H CA -1.138 54.910 56.048 0.000 0.000 1.193 271 H CB 1.709 31.472 29.762 0.002 0.000 1.594 271 H HN 0.479 8.759 8.280 -0.000 0.000 0.526 272 I N 4.088 124.731 120.570 0.122 0.000 2.325 272 I HA 0.226 4.394 4.170 -0.004 0.000 0.291 272 I C -0.309 175.838 176.117 0.050 0.000 1.019 272 I CA -0.127 61.201 61.300 0.046 0.000 1.302 272 I CB 0.524 38.536 38.000 0.020 0.000 1.401 272 I HN 0.444 8.654 8.210 -0.000 0.000 0.485 273 I N 4.857 125.441 120.570 0.024 0.000 2.785 273 I HA 0.221 4.389 4.170 -0.004 0.000 0.302 273 I C -0.200 175.914 176.117 -0.005 0.000 1.069 273 I CA -0.758 60.556 61.300 0.024 0.000 1.045 273 I CB 2.417 40.438 38.000 0.035 0.000 1.236 273 I HN 0.446 8.656 8.210 -0.000 0.000 0.429 274 D N 3.801 124.199 120.400 -0.004 0.000 2.374 274 D HA 0.130 4.768 4.640 -0.004 0.000 0.240 274 D C 0.984 177.273 176.300 -0.019 0.000 1.229 274 D CA 0.079 54.067 54.000 -0.020 0.000 0.895 274 D CB 1.452 42.243 40.800 -0.015 0.000 1.046 274 D HN 0.740 9.110 8.370 -0.000 0.000 0.498 275 G N 3.584 112.358 108.800 -0.044 0.000 2.744 275 G HA2 -0.147 3.811 3.960 -0.004 0.000 0.211 275 G HA3 -0.147 3.811 3.960 -0.004 0.000 0.211 275 G C 1.443 176.316 174.900 -0.044 0.000 1.143 275 G CA -0.049 45.022 45.100 -0.048 0.000 0.788 275 G HN 0.445 8.735 8.290 -0.000 0.000 0.534 276 R N -0.327 120.147 120.500 -0.044 0.000 2.193 276 R HA 0.085 4.423 4.340 -0.004 0.000 0.213 276 R C 0.325 176.618 176.300 -0.012 0.000 1.055 276 R CA -0.059 56.020 56.100 -0.035 0.000 0.995 276 R CB 0.106 30.382 30.300 -0.040 0.000 0.893 276 R HN 0.218 8.488 8.270 -0.000 0.000 0.459 277 V N 4.760 124.671 119.914 -0.005 0.000 2.479 277 V HA 0.086 4.204 4.120 -0.004 0.000 0.281 277 V C -1.819 174.283 176.094 0.014 0.000 1.031 277 V CA -1.727 60.575 62.300 0.003 0.000 1.038 277 V CB 0.468 32.294 31.823 0.004 0.000 0.981 277 V HN 0.078 8.268 8.190 -0.000 0.000 0.478 278 P HA 0.013 4.433 4.420 -0.000 0.000 0.266 278 P C 0.154 177.460 177.300 0.011 0.000 1.193 278 P CA 0.203 63.313 63.100 0.017 0.000 0.770 278 P CB 0.089 31.795 31.700 0.010 0.000 0.836 279 N N -0.163 118.543 118.700 0.011 0.000 2.725 279 N HA -0.253 4.485 4.740 -0.004 0.000 0.249 279 N C 1.135 176.642 175.510 -0.006 0.000 1.103 279 N CA 0.506 53.546 53.050 -0.017 0.000 0.707 279 N CB -1.378 37.080 38.487 -0.048 0.000 1.043 279 N HN 0.536 8.916 8.380 -0.000 0.000 0.553 280 A N -0.286 122.551 122.820 0.029 0.000 1.917 280 A HA -0.177 4.140 4.320 -0.004 0.000 0.219 280 A C 2.196 179.796 177.584 0.026 0.000 1.182 280 A CA 2.067 54.123 52.037 0.032 0.000 0.633 280 A CB -0.453 18.575 19.000 0.047 0.000 0.819 280 A HN 0.240 8.390 8.150 -0.000 0.000 0.448 281 V N -0.248 119.687 119.914 0.035 0.000 2.220 281 V HA -0.263 3.854 4.120 -0.004 0.000 0.246 281 V C 2.479 178.540 176.094 -0.054 0.000 1.049 281 V CA 2.094 64.391 62.300 -0.005 0.000 1.003 281 V CB -0.872 30.934 31.823 -0.029 0.000 0.634 281 V HN 0.657 8.847 8.190 -0.000 0.000 0.444 282 L N -0.335 120.818 121.223 -0.118 0.000 2.197 282 L HA -0.214 4.124 4.340 -0.004 0.000 0.215 282 L C 2.001 178.832 176.870 -0.065 0.000 1.095 282 L CA 1.980 56.694 54.840 -0.211 0.000 0.764 282 L CB -0.491 41.368 42.059 -0.334 0.000 0.897 282 L HN 0.286 8.516 8.230 -0.000 0.000 0.436 283 L N -1.308 119.906 121.223 -0.015 0.000 2.307 283 L HA -0.002 4.336 4.340 -0.004 0.000 0.211 283 L C 2.188 179.081 176.870 0.038 0.000 1.099 283 L CA 0.616 55.471 54.840 0.025 0.000 0.816 283 L CB -0.354 41.711 42.059 0.010 0.000 0.952 283 L HN 0.207 8.437 8.230 -0.000 0.000 0.455 284 E N 0.130 120.360 120.200 0.050 0.000 2.511 284 E HA -0.016 4.331 4.350 -0.004 0.000 0.196 284 E C 1.664 178.334 176.600 0.116 0.000 1.066 284 E CA 0.566 57.020 56.400 0.091 0.000 0.871 284 E CB 0.261 30.041 29.700 0.132 0.000 0.863 284 E HN 0.455 8.815 8.360 -0.000 0.000 0.520 285 I N -1.764 118.884 120.570 0.129 0.000 3.650 285 I HA -0.003 4.165 4.170 -0.004 0.000 0.261 285 I C 0.770 177.092 176.117 0.341 0.000 1.154 285 I CA -0.110 61.343 61.300 0.255 0.000 1.418 285 I CB 0.071 38.218 38.000 0.244 0.000 1.539 285 I HN 0.014 8.224 8.210 -0.000 0.000 0.449 286 F N 1.747 121.724 119.950 0.045 0.000 2.546 286 F HA -0.017 4.508 4.527 -0.003 0.000 0.298 286 F C 1.157 176.875 175.800 -0.138 0.000 1.120 286 F CA 0.823 58.855 58.000 0.053 0.000 1.456 286 F CB -0.365 38.662 39.000 0.044 0.000 1.088 286 F HN 0.075 8.375 8.300 -0.000 0.000 0.572 287 T N -2.566 111.873 114.554 -0.192 0.000 2.550 287 T HA 0.383 4.731 4.350 -0.004 0.000 0.256 287 T C -1.424 172.908 174.700 -0.613 0.000 0.866 287 T CA -0.699 61.052 62.100 -0.582 0.000 1.163 287 T CB 1.947 70.697 68.868 -0.198 0.000 1.460 287 T HN -0.188 8.052 8.240 -0.000 0.000 0.498 288 D N 1.008 121.178 120.400 -0.383 0.000 2.362 288 D HA 0.402 5.040 4.640 -0.004 0.000 0.232 288 D C -0.970 175.275 176.300 -0.090 0.000 1.329 288 D CA -0.314 53.577 54.000 -0.182 0.000 0.944 288 D CB 0.470 41.182 40.800 -0.147 0.000 1.471 288 D HN 0.631 9.001 8.370 -0.000 0.000 0.533 289 S N 0.694 116.364 115.700 -0.051 0.000 2.664 289 S HA 0.727 5.195 4.470 -0.004 0.000 0.304 289 S C 1.059 175.646 174.600 -0.022 0.000 1.099 289 S CA -0.554 57.628 58.200 -0.029 0.000 1.003 289 S CB 1.859 65.047 63.200 -0.019 0.000 1.092 289 S HN 0.390 8.700 8.310 -0.000 0.000 0.525 290 G N 0.096 108.886 108.800 -0.017 0.000 3.440 290 G HA2 0.350 4.308 3.960 -0.004 0.000 0.263 290 G HA3 0.350 4.308 3.960 -0.004 0.000 0.263 290 G C -0.257 174.634 174.900 -0.015 0.000 1.236 290 G CA -0.248 44.840 45.100 -0.020 0.000 0.927 290 G HN 0.587 8.877 8.290 -0.000 0.000 0.530 291 V N 1.212 121.121 119.914 -0.008 0.000 2.372 291 V HA 0.654 4.771 4.120 -0.004 0.000 0.261 291 V C 0.873 176.974 176.094 0.012 0.000 1.055 291 V CA 1.210 63.511 62.300 0.002 0.000 0.930 291 V CB 0.047 31.874 31.823 0.005 0.000 1.031 291 V HN 0.756 8.946 8.190 -0.000 0.000 0.479 292 G N 4.635 113.440 108.800 0.008 0.000 2.316 292 G HA2 -0.002 3.955 3.960 -0.004 0.000 0.349 292 G HA3 -0.002 3.955 3.960 -0.004 0.000 0.349 292 G C -0.431 174.474 174.900 0.009 0.000 1.274 292 G CA -0.349 44.764 45.100 0.022 0.000 1.018 292 G HN 0.493 8.783 8.290 -0.000 0.000 0.486 293 T N 1.313 115.882 114.554 0.025 0.000 3.060 293 T HA 0.526 4.874 4.350 -0.004 0.000 0.367 293 T C 0.296 175.006 174.700 0.017 0.000 1.229 293 T CA -0.260 61.846 62.100 0.011 0.000 1.104 293 T CB 0.715 69.589 68.868 0.011 0.000 1.083 293 T HN 0.581 8.821 8.240 -0.000 0.000 0.524 294 L N 4.027 125.225 121.223 -0.041 0.000 2.410 294 L HA 0.453 4.791 4.340 -0.004 0.000 0.273 294 L C -0.460 176.399 176.870 -0.018 0.000 1.152 294 L CA 0.031 54.818 54.840 -0.088 0.000 0.855 294 L CB 0.397 42.355 42.059 -0.167 0.000 1.129 294 L HN 0.569 8.799 8.230 -0.000 0.000 0.463 295 I N 3.866 124.449 120.570 0.022 0.000 2.439 295 I HA 0.282 4.450 4.170 -0.004 0.000 0.285 295 I C -0.464 175.676 176.117 0.038 0.000 1.021 295 I CA 0.001 61.318 61.300 0.028 0.000 1.091 295 I CB 1.874 39.896 38.000 0.037 0.000 1.242 295 I HN 0.467 8.677 8.210 -0.000 0.000 0.439 296 S N 4.473 120.188 115.700 0.025 0.000 2.541 296 S HA 0.488 4.956 4.470 -0.004 0.000 0.280 296 S C -0.220 174.394 174.600 0.023 0.000 1.112 296 S CA -0.498 57.721 58.200 0.030 0.000 0.925 296 S CB 1.861 65.076 63.200 0.024 0.000 1.067 296 S HN 0.616 8.926 8.310 -0.000 0.000 0.479 297 N N 2.143 120.858 118.700 0.024 0.000 2.308 297 N HA 0.327 5.065 4.740 -0.004 0.000 0.224 297 N C -0.279 175.240 175.510 0.016 0.000 1.024 297 N CA 0.609 53.670 53.050 0.018 0.000 1.118 297 N CB 0.010 38.508 38.487 0.018 0.000 1.399 297 N HN 0.783 9.163 8.380 -0.000 0.000 0.594 298 R N 0.716 121.225 120.500 0.016 0.000 2.368 298 R HA 0.389 4.727 4.340 -0.004 0.000 0.302 298 R C -0.398 175.914 176.300 0.019 0.000 1.002 298 R CA -0.776 55.333 56.100 0.015 0.000 0.929 298 R CB 0.999 31.307 30.300 0.013 0.000 1.073 298 R HN 0.114 8.384 8.270 -0.000 0.000 0.464 299 K N 1.616 122.028 120.400 0.019 0.000 2.263 299 K HA 0.748 5.066 4.320 -0.004 0.000 0.272 299 K C -0.585 176.030 176.600 0.024 0.000 1.033 299 K CA -0.512 55.790 56.287 0.025 0.000 0.884 299 K CB 1.487 34.003 32.500 0.027 0.000 1.107 299 K HN 0.888 9.138 8.250 -0.000 0.000 0.460 300 R N 0.000 120.516 120.500 0.027 0.000 2.786 300 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 300 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 300 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 300 R HN 0.000 8.270 8.270 -0.000 0.000 0.535