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 1k56_1_C DATA FIRST_RESID 21 DATA SEQUENCE SITENTSWNK EFSAEAVNGV FVLcKSSSKS cATNDLARAS KEYLPASTFK DATA SEQUENCE IPNAIIGLET GVIKNEHQVF KWXXXXXXXX XXERDLTLRG AIQVSAVPVF DATA SEQUENCE QQIAREVGEV RMQKYLKKFS YGNQNISGGI DKFWLEGQLR ISAVNQVEFL DATA SEQUENCE ESLYLNKLSA SKENQLIVKE ALVTEAAPEY LVHSKTGFSG VGTESNPGVA DATA SEQUENCE WWVGWVEKET EVYFFAFNMD IDNESKLPLR KSIPTKIMES EGIIGG 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 21 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 21 S C 0.000 174.604 174.600 0.007 0.000 1.055 21 S CA 0.000 58.201 58.200 0.002 0.000 1.107 21 S CB 0.000 63.201 63.200 0.001 0.000 0.593 22 I N 3.832 124.406 120.570 0.006 0.000 2.359 22 I HA 0.663 4.835 4.170 0.003 0.000 0.294 22 I C 0.189 176.302 176.117 -0.007 0.000 0.987 22 I CA 0.017 61.322 61.300 0.008 0.000 1.225 22 I CB 1.640 39.649 38.000 0.016 0.000 1.366 22 I HN 1.009 9.219 8.210 -0.000 0.000 0.466 23 T N 2.333 116.875 114.554 -0.020 0.000 2.932 23 T HA 0.447 4.798 4.350 0.003 0.000 0.289 23 T C -0.564 174.086 174.700 -0.084 0.000 1.039 23 T CA -0.811 61.261 62.100 -0.047 0.000 1.024 23 T CB 1.790 70.626 68.868 -0.054 0.000 1.090 23 T HN 0.644 8.884 8.240 -0.000 0.000 0.496 24 E N 0.953 121.094 120.200 -0.097 0.000 2.175 24 E HA 0.295 4.646 4.350 0.003 0.000 0.278 24 E C -0.912 175.564 176.600 -0.207 0.000 0.969 24 E CA -0.723 55.602 56.400 -0.124 0.000 0.796 24 E CB 0.671 30.327 29.700 -0.073 0.000 1.104 24 E HN 0.593 8.953 8.360 -0.000 0.000 0.395 25 N N 3.102 121.601 118.700 -0.336 0.000 2.776 25 N HA 0.047 4.789 4.740 0.003 0.000 0.245 25 N C 0.224 175.554 175.510 -0.300 0.000 1.121 25 N CA -0.150 52.613 53.050 -0.478 0.000 0.852 25 N CB 1.041 38.895 38.487 -1.056 0.000 1.142 25 N HN 0.547 8.927 8.380 -0.000 0.000 0.514 26 T N -1.404 113.070 114.554 -0.134 0.000 3.007 26 T HA -0.140 4.212 4.350 0.003 0.000 0.270 26 T C 1.763 176.491 174.700 0.047 0.000 1.107 26 T CA 1.289 63.374 62.100 -0.025 0.000 1.118 26 T CB -0.232 68.626 68.868 -0.016 0.000 0.889 26 T HN 0.345 8.585 8.240 -0.000 0.000 0.506 27 S N -0.137 115.575 115.700 0.021 0.000 2.442 27 S HA -0.092 4.379 4.470 0.003 0.000 0.236 27 S C 1.506 176.286 174.600 0.301 0.000 1.007 27 S CA 0.194 58.466 58.200 0.121 0.000 0.965 27 S CB -0.906 62.355 63.200 0.100 0.000 0.773 27 S HN 0.648 8.958 8.310 -0.000 0.000 0.504 28 W N 2.699 124.083 121.300 0.141 0.000 2.595 28 W HA 0.254 4.915 4.660 0.002 0.000 0.257 28 W C 1.639 178.338 176.519 0.300 0.000 1.267 28 W CA -0.560 56.913 57.345 0.213 0.000 1.300 28 W CB -1.296 28.336 29.460 0.286 0.000 1.120 28 W HN 0.358 8.538 8.180 -0.000 0.000 0.618 29 N N 1.059 120.009 118.700 0.418 0.000 2.364 29 N HA -0.168 4.574 4.740 0.003 0.000 0.183 29 N C 1.761 177.474 175.510 0.339 0.000 1.022 29 N CA 1.614 54.874 53.050 0.351 0.000 0.883 29 N CB -0.451 38.126 38.487 0.151 0.000 0.965 29 N HN 0.423 8.803 8.380 -0.000 0.000 0.438 30 K N 0.889 121.443 120.400 0.256 0.000 2.103 30 K HA -0.106 4.215 4.320 0.003 0.000 0.207 30 K C 1.067 177.750 176.600 0.137 0.000 1.048 30 K CA 1.050 57.436 56.287 0.165 0.000 0.930 30 K CB -0.127 32.447 32.500 0.123 0.000 0.716 30 K HN 0.089 8.339 8.250 -0.000 0.000 0.444 31 E N 0.202 120.485 120.200 0.138 0.000 2.274 31 E HA -0.061 4.291 4.350 0.003 0.000 0.194 31 E C 1.713 178.245 176.600 -0.113 0.000 0.996 31 E CA 0.818 57.192 56.400 -0.042 0.000 0.840 31 E CB -0.104 29.491 29.700 -0.175 0.000 0.772 31 E HN 0.406 8.766 8.360 -0.000 0.000 0.491 32 F N 0.735 120.720 119.950 0.057 0.000 2.387 32 F HA -0.075 4.454 4.527 0.002 0.000 0.294 32 F C 2.709 178.531 175.800 0.037 0.000 1.093 32 F CA 0.853 58.890 58.000 0.061 0.000 1.420 32 F CB -0.270 38.778 39.000 0.080 0.000 1.086 32 F HN -0.035 8.265 8.300 -0.000 0.000 0.531 33 S N 0.652 116.492 115.700 0.233 0.000 2.345 33 S HA -0.145 4.326 4.470 0.003 0.000 0.220 33 S C 2.378 177.023 174.600 0.076 0.000 1.031 33 S CA 0.808 59.088 58.200 0.133 0.000 0.996 33 S CB -1.139 62.128 63.200 0.113 0.000 0.882 33 S HN 0.221 8.531 8.310 -0.000 0.000 0.445 34 A N 2.621 125.475 122.820 0.056 0.000 1.894 34 A HA -0.234 4.087 4.320 0.003 0.000 0.220 34 A C 2.186 179.773 177.584 0.005 0.000 1.237 34 A CA 2.112 54.159 52.037 0.017 0.000 0.660 34 A CB -0.971 18.024 19.000 -0.008 0.000 0.835 34 A HN 0.635 8.785 8.150 -0.000 0.000 0.461 35 E N -1.563 118.635 120.200 -0.003 0.000 2.481 35 E HA 0.304 4.656 4.350 0.003 0.000 0.195 35 E C 0.784 177.393 176.600 0.016 0.000 1.047 35 E CA 0.796 57.187 56.400 -0.015 0.000 0.867 35 E CB -0.134 29.532 29.700 -0.056 0.000 0.858 35 E HN 1.205 9.565 8.360 -0.000 0.000 0.513 36 A N 0.243 123.092 122.820 0.048 0.000 3.261 36 A HA -0.139 4.183 4.320 0.003 0.000 0.252 36 A C 0.336 177.962 177.584 0.071 0.000 1.357 36 A CA 0.556 52.625 52.037 0.055 0.000 0.797 36 A CB -2.355 16.662 19.000 0.030 0.000 1.031 36 A HN 0.287 8.437 8.150 -0.000 0.000 0.561 37 V N -2.954 117.034 119.914 0.123 0.000 3.078 37 V HA 0.888 5.010 4.120 0.003 0.000 0.311 37 V C -0.465 175.725 176.094 0.161 0.000 1.138 37 V CA -1.383 60.998 62.300 0.136 0.000 1.007 37 V CB 2.187 34.110 31.823 0.167 0.000 1.045 37 V HN 0.446 8.636 8.190 -0.000 0.000 0.432 38 N N 1.851 120.596 118.700 0.075 0.000 2.425 38 N HA 0.807 5.549 4.740 0.003 0.000 0.268 38 N C 0.047 175.508 175.510 -0.082 0.000 0.991 38 N CA 0.456 53.494 53.050 -0.019 0.000 0.931 38 N CB 1.783 40.249 38.487 -0.034 0.000 1.130 38 N HN 1.345 9.725 8.380 -0.000 0.000 0.493 39 G N -0.494 108.155 108.800 -0.252 0.000 2.488 39 G HA2 0.497 4.458 3.960 0.003 0.000 0.301 39 G HA3 0.497 4.458 3.960 0.003 0.000 0.301 39 G C -1.854 172.710 174.900 -0.561 0.000 1.339 39 G CA -0.346 44.553 45.100 -0.335 0.000 0.803 39 G HN 0.373 8.663 8.290 -0.000 0.000 0.482 40 V N -0.333 119.341 119.914 -0.400 0.000 2.971 40 V HA 0.842 4.964 4.120 0.003 0.000 0.309 40 V C -1.856 174.352 176.094 0.189 0.000 1.130 40 V CA -0.977 61.235 62.300 -0.146 0.000 0.964 40 V CB 1.943 33.714 31.823 -0.086 0.000 1.029 40 V HN 0.901 9.091 8.190 -0.000 0.000 0.427 41 F N 5.173 125.317 119.950 0.323 0.000 2.529 41 F HA 0.792 5.320 4.527 0.002 0.000 0.320 41 F C -0.893 175.170 175.800 0.438 0.000 1.118 41 F CA -0.637 57.648 58.000 0.475 0.000 0.915 41 F CB 2.061 41.401 39.000 0.566 0.000 1.161 41 F HN 0.369 8.669 8.300 -0.000 0.000 0.445 42 V N 6.786 126.656 119.914 -0.073 0.000 2.487 42 V HA 0.513 4.634 4.120 0.003 0.000 0.298 42 V C -1.156 174.722 176.094 -0.360 0.000 1.028 42 V CA -0.720 61.536 62.300 -0.073 0.000 0.860 42 V CB 1.645 33.511 31.823 0.072 0.000 0.991 42 V HN 0.582 8.772 8.190 -0.000 0.000 0.427 43 L N 5.967 127.110 121.223 -0.132 0.000 2.409 43 L HA 0.786 5.128 4.340 0.003 0.000 0.272 43 L C -0.888 176.086 176.870 0.173 0.000 0.980 43 L CA 0.141 54.957 54.840 -0.041 0.000 0.826 43 L CB 1.610 43.675 42.059 0.011 0.000 1.268 43 L HN 0.782 9.012 8.230 -0.000 0.000 0.407 44 c N 3.967 122.703 118.600 0.226 0.000 2.396 44 c HA 0.547 5.119 4.570 0.003 0.000 0.321 44 c C -0.241 173.993 174.090 0.241 0.000 1.233 44 c CA -1.131 55.336 56.329 0.230 0.000 1.440 44 c CB 1.278 43.921 42.510 0.221 0.000 2.110 44 c HN 0.823 9.053 8.230 -0.000 0.000 0.473 45 K N 2.211 122.708 120.400 0.162 0.000 2.211 45 K HA 0.443 4.765 4.320 0.003 0.000 0.275 45 K C 0.867 177.416 176.600 -0.085 0.000 1.024 45 K CA 0.281 56.537 56.287 -0.051 0.000 0.887 45 K CB 0.639 33.159 32.500 0.032 0.000 1.084 45 K HN 0.848 9.098 8.250 -0.000 0.000 0.463 46 S N 1.489 117.063 115.700 -0.210 0.000 1.616 46 S HA -0.249 4.222 4.470 0.003 0.000 0.237 46 S C -0.207 174.439 174.600 0.077 0.000 0.811 46 S CA 1.832 59.969 58.200 -0.106 0.000 1.381 46 S CB -1.315 61.838 63.200 -0.079 0.000 1.728 46 S HN 1.061 9.371 8.310 -0.000 0.000 0.522 47 S N -0.544 115.216 115.700 0.099 0.000 2.643 47 S HA 0.641 5.113 4.470 0.003 0.000 0.270 47 S C 0.470 175.073 174.600 0.006 0.000 1.166 47 S CA 0.482 58.710 58.200 0.047 0.000 0.815 47 S CB 1.317 64.507 63.200 -0.018 0.000 1.139 47 S HN 1.132 9.442 8.310 -0.000 0.000 0.472 48 S N 0.144 115.775 115.700 -0.116 0.000 2.660 48 S HA 0.107 4.578 4.470 0.003 0.000 0.228 48 S C 0.900 175.478 174.600 -0.036 0.000 0.966 48 S CA -0.112 58.036 58.200 -0.086 0.000 0.940 48 S CB -0.463 62.647 63.200 -0.151 0.000 0.773 48 S HN 0.600 8.910 8.310 -0.000 0.000 0.535 49 K N 1.298 121.683 120.400 -0.024 0.000 2.400 49 K HA 0.230 4.551 4.320 0.003 0.000 0.194 49 K C -0.020 176.584 176.600 0.008 0.000 1.033 49 K CA 0.186 56.467 56.287 -0.011 0.000 1.021 49 K CB 0.193 32.685 32.500 -0.014 0.000 0.808 49 K HN 0.319 8.569 8.250 -0.000 0.000 0.505 50 S N 1.250 116.965 115.700 0.024 0.000 2.060 50 S HA 0.252 4.724 4.470 0.003 0.000 0.156 50 S C -0.503 174.140 174.600 0.071 0.000 1.690 50 S CA -0.707 57.518 58.200 0.042 0.000 1.238 50 S CB 0.303 63.528 63.200 0.042 0.000 1.150 50 S HN 0.111 8.421 8.310 -0.000 0.000 0.437 51 c N 2.003 120.641 118.600 0.062 0.000 2.470 51 c HA 0.994 5.566 4.570 0.003 0.000 0.341 51 c C 0.609 174.742 174.090 0.071 0.000 1.190 51 c CA -0.528 55.852 56.329 0.085 0.000 1.904 51 c CB 1.021 43.571 42.510 0.067 0.000 2.354 51 c HN 0.798 9.028 8.230 -0.000 0.000 0.509 52 A N 1.059 123.941 122.820 0.104 0.000 2.498 52 A HA 0.925 5.246 4.320 0.003 0.000 0.298 52 A C -0.662 176.992 177.584 0.116 0.000 1.075 52 A CA -0.318 51.738 52.037 0.032 0.000 0.714 52 A CB 1.870 20.849 19.000 -0.036 0.000 1.299 52 A HN 0.856 9.006 8.150 -0.000 0.000 0.407 53 T N -0.365 114.197 114.554 0.014 0.000 2.889 53 T HA 0.339 4.690 4.350 0.003 0.000 0.315 53 T C 0.634 175.388 174.700 0.090 0.000 1.291 53 T CA -0.024 62.189 62.100 0.188 0.000 1.028 53 T CB 1.053 70.006 68.868 0.141 0.000 1.235 53 T HN 0.864 9.104 8.240 -0.000 0.000 0.491 54 N N 2.076 120.980 118.700 0.340 0.000 2.396 54 N HA -0.025 4.716 4.740 0.003 0.000 0.180 54 N C -0.136 175.399 175.510 0.042 0.000 1.028 54 N CA 0.773 53.952 53.050 0.215 0.000 0.893 54 N CB 0.178 38.894 38.487 0.382 0.000 0.967 54 N HN 0.621 9.001 8.380 -0.000 0.000 0.440 55 D N -0.273 120.144 120.400 0.028 0.000 2.365 55 D HA 0.216 4.858 4.640 0.003 0.000 0.235 55 D C 0.766 177.068 176.300 0.003 0.000 1.368 55 D CA -0.437 53.553 54.000 -0.018 0.000 1.001 55 D CB 1.003 41.758 40.800 -0.075 0.000 1.364 55 D HN -0.086 8.284 8.370 -0.000 0.000 0.577 56 L N 2.275 123.497 121.223 -0.002 0.000 2.083 56 L HA -0.100 4.242 4.340 0.003 0.000 0.209 56 L C 2.503 179.380 176.870 0.011 0.000 1.083 56 L CA 1.586 56.430 54.840 0.007 0.000 0.752 56 L CB -0.199 41.858 42.059 -0.004 0.000 0.899 56 L HN 0.470 8.700 8.230 -0.000 0.000 0.433 57 A N 0.047 122.868 122.820 0.002 0.000 1.858 57 A HA -0.255 4.067 4.320 0.003 0.000 0.216 57 A C 2.428 180.023 177.584 0.018 0.000 1.190 57 A CA 1.867 53.907 52.037 0.004 0.000 0.617 57 A CB -0.569 18.428 19.000 -0.004 0.000 0.827 57 A HN 0.338 8.488 8.150 -0.000 0.000 0.443 58 R N -0.503 120.008 120.500 0.019 0.000 2.148 58 R HA -0.000 4.341 4.340 0.003 0.000 0.223 58 R C 2.184 178.536 176.300 0.087 0.000 1.088 58 R CA 1.111 57.244 56.100 0.054 0.000 0.985 58 R CB -0.357 29.950 30.300 0.011 0.000 0.880 58 R HN 0.447 8.717 8.270 -0.000 0.000 0.451 59 A N 0.216 123.075 122.820 0.065 0.000 1.978 59 A HA -0.156 4.165 4.320 0.003 0.000 0.220 59 A C 1.906 179.552 177.584 0.102 0.000 1.170 59 A CA 1.972 54.065 52.037 0.092 0.000 0.636 59 A CB -0.276 18.772 19.000 0.079 0.000 0.810 59 A HN 0.514 8.664 8.150 -0.000 0.000 0.448 60 S N -1.084 114.659 115.700 0.071 0.000 2.535 60 S HA 0.210 4.681 4.470 0.003 0.000 0.214 60 S C 0.577 175.197 174.600 0.034 0.000 0.980 60 S CA -0.351 57.882 58.200 0.054 0.000 0.907 60 S CB 0.130 63.347 63.200 0.028 0.000 0.790 60 S HN 0.485 8.795 8.310 -0.000 0.000 0.510 61 K N 2.218 122.638 120.400 0.034 0.000 2.350 61 K HA 0.221 4.543 4.320 0.003 0.000 0.279 61 K C -0.350 176.157 176.600 -0.155 0.000 1.027 61 K CA 0.184 56.417 56.287 -0.089 0.000 0.969 61 K CB 0.559 32.988 32.500 -0.119 0.000 0.954 61 K HN 0.395 8.645 8.250 -0.000 0.000 0.474 62 E N 2.377 122.422 120.200 -0.258 0.000 2.197 62 E HA 0.219 4.571 4.350 0.003 0.000 0.281 62 E C -1.097 175.288 176.600 -0.358 0.000 0.995 62 E CA -0.447 55.872 56.400 -0.136 0.000 0.808 62 E CB 0.884 30.562 29.700 -0.037 0.000 1.093 62 E HN 0.330 8.690 8.360 -0.000 0.000 0.394 63 Y N 0.714 121.147 120.300 0.222 0.000 2.570 63 Y HA 0.218 4.770 4.550 0.002 0.000 0.345 63 Y C 0.069 176.193 175.900 0.372 0.000 1.014 63 Y CA -1.368 56.873 58.100 0.234 0.000 1.063 63 Y CB 0.950 39.482 38.460 0.120 0.000 1.272 63 Y HN 0.268 8.548 8.280 -0.000 0.000 0.477 64 L N 4.377 125.870 121.223 0.451 0.000 2.640 64 L HA -0.054 4.287 4.340 0.003 0.000 0.280 64 L C -1.454 175.770 176.870 0.591 0.000 1.229 64 L CA -0.388 54.694 54.840 0.403 0.000 0.919 64 L CB 0.294 42.529 42.059 0.292 0.000 1.168 64 L HN 0.550 8.780 8.230 -0.000 0.000 0.496 65 P HA -0.051 4.369 4.420 -0.000 0.000 0.225 65 P C 0.866 178.322 177.300 0.259 0.000 1.156 65 P CA 1.168 64.411 63.100 0.240 0.000 0.787 65 P CB 0.345 32.196 31.700 0.253 0.000 0.802 66 A N -0.005 123.040 122.820 0.375 0.000 5.584 66 A HA -0.296 4.025 4.320 0.003 0.000 0.303 66 A C 1.861 179.653 177.584 0.347 0.000 1.923 66 A CA 1.939 54.205 52.037 0.381 0.000 0.717 66 A CB -2.346 16.870 19.000 0.360 0.000 1.281 66 A HN 0.186 8.336 8.150 -0.000 0.000 0.379 67 S N 0.390 116.234 115.700 0.240 0.000 2.547 67 S HA 0.015 4.486 4.470 0.003 0.000 0.235 67 S C 1.846 176.425 174.600 -0.035 0.000 0.980 67 S CA 1.837 60.083 58.200 0.077 0.000 0.941 67 S CB -0.748 62.493 63.200 0.068 0.000 0.763 67 S HN 1.593 9.903 8.310 -0.000 0.000 0.532 68 T N -0.448 114.104 114.554 -0.003 0.000 2.962 68 T HA 0.005 4.357 4.350 0.003 0.000 0.270 68 T C 0.658 175.296 174.700 -0.102 0.000 1.088 68 T CA 0.218 62.264 62.100 -0.090 0.000 1.127 68 T CB -0.537 68.179 68.868 -0.253 0.000 0.883 68 T HN 0.216 8.456 8.240 -0.000 0.000 0.493 69 F N 3.044 122.854 119.950 -0.233 0.000 0.000 69 F HA 0.537 5.066 4.527 0.003 0.000 0.000 69 F C 0.712 176.191 175.800 -0.534 0.000 0.000 69 F CA 0.284 58.053 58.000 -0.385 0.000 0.000 69 F CB 0.029 38.733 39.000 -0.493 0.000 0.000 69 F HN 0.683 8.983 8.300 -0.000 0.000 0.000 70 K N 0.583 120.983 120.400 -0.000 0.000 0.000 70 K HA 0.527 4.848 4.320 0.003 0.000 0.000 70 K C -1.222 175.378 176.600 -0.000 0.000 0.000 70 K CA -0.085 55.707 56.287 -0.825 0.000 0.000 70 K CB 0.540 32.428 32.500 -1.019 0.000 0.000 70 K HN 0.560 8.810 8.250 -0.000 0.000 0.000 71 I N -2.259 118.105 120.570 -0.345 0.000 0.000 71 I HA -0.010 4.161 4.170 0.003 0.000 0.000 71 I C -1.603 174.417 176.117 -0.162 0.000 0.000 71 I CA -0.217 61.000 61.300 -0.139 0.000 0.000 71 I CB 0.243 38.278 38.000 0.058 0.000 0.000 71 I HN 0.424 8.634 8.210 -0.000 0.000 0.000 72 P HA -0.146 4.274 4.420 -0.000 0.000 0.217 72 P C 1.014 178.095 177.300 -0.365 0.000 1.150 72 P CA 1.883 64.799 63.100 -0.307 0.000 0.832 72 P CB -0.267 30.978 31.700 -0.759 0.000 0.787 73 N N -0.114 118.158 118.700 -0.713 0.000 2.104 73 N HA -0.151 4.591 4.740 0.003 0.000 0.190 73 N C 1.878 177.348 175.510 -0.066 0.000 1.024 73 N CA 1.131 53.958 53.050 -0.372 0.000 0.853 73 N CB -0.230 38.021 38.487 -0.393 0.000 1.008 73 N HN -0.004 8.376 8.380 -0.000 0.000 0.424 74 A N 1.025 123.863 122.820 0.030 0.000 1.898 74 A HA -0.085 4.237 4.320 0.003 0.000 0.216 74 A C 2.083 179.674 177.584 0.011 0.000 1.181 74 A CA 0.887 52.982 52.037 0.096 0.000 0.620 74 A CB -0.537 18.555 19.000 0.154 0.000 0.819 74 A HN 0.317 8.467 8.150 -0.000 0.000 0.442 75 I N -0.408 120.158 120.570 -0.007 0.000 2.226 75 I HA -0.247 3.924 4.170 0.003 0.000 0.245 75 I C 2.252 178.343 176.117 -0.044 0.000 1.100 75 I CA 1.295 62.600 61.300 0.008 0.000 1.374 75 I CB -0.318 37.708 38.000 0.044 0.000 1.057 75 I HN 0.295 8.505 8.210 -0.000 0.000 0.413 76 I N 0.655 121.161 120.570 -0.107 0.000 2.252 76 I HA -0.180 3.991 4.170 0.003 0.000 0.245 76 I C 2.710 178.685 176.117 -0.238 0.000 1.102 76 I CA 1.454 62.533 61.300 -0.368 0.000 1.385 76 I CB -0.907 36.876 38.000 -0.363 0.000 1.064 76 I HN 0.246 8.456 8.210 -0.000 0.000 0.414 77 G N 1.244 109.978 108.800 -0.110 0.000 2.476 77 G HA2 -0.231 3.730 3.960 0.003 0.000 0.218 77 G HA3 -0.231 3.730 3.960 0.003 0.000 0.218 77 G C 1.715 176.591 174.900 -0.040 0.000 1.164 77 G CA 0.767 45.834 45.100 -0.056 0.000 0.768 77 G HN 0.271 8.561 8.290 -0.000 0.000 0.560 78 L N -0.169 121.033 121.223 -0.035 0.000 2.072 78 L HA 0.018 4.360 4.340 0.003 0.000 0.205 78 L C 2.960 179.815 176.870 -0.025 0.000 1.079 78 L CA 0.830 55.660 54.840 -0.017 0.000 0.752 78 L CB -0.267 41.789 42.059 -0.005 0.000 0.906 78 L HN 0.099 8.329 8.230 -0.000 0.000 0.436 79 E N -0.057 120.109 120.200 -0.057 0.000 2.077 79 E HA -0.196 4.155 4.350 0.003 0.000 0.193 79 E C 2.170 178.770 176.600 -0.001 0.000 0.989 79 E CA 1.989 58.370 56.400 -0.032 0.000 0.800 79 E CB -0.345 29.294 29.700 -0.101 0.000 0.746 79 E HN 0.551 8.911 8.360 -0.000 0.000 0.452 80 T N -3.147 111.381 114.554 -0.044 0.000 3.113 80 T HA 0.205 4.557 4.350 0.003 0.000 0.256 80 T C 1.521 176.234 174.700 0.021 0.000 1.131 80 T CA 0.896 63.007 62.100 0.019 0.000 1.074 80 T CB 0.234 69.109 68.868 0.011 0.000 0.944 80 T HN 0.263 8.503 8.240 -0.000 0.000 0.516 81 G N 0.383 109.188 108.800 0.008 0.000 2.176 81 G HA2 -0.325 3.637 3.960 0.003 0.000 0.253 81 G HA3 -0.325 3.637 3.960 0.003 0.000 0.253 81 G C 0.943 175.849 174.900 0.010 0.000 0.979 81 G CA 0.235 45.341 45.100 0.010 0.000 0.641 81 G HN 0.502 8.792 8.290 -0.000 0.000 0.530 82 V N 0.689 120.611 119.914 0.012 0.000 2.392 82 V HA 0.012 4.134 4.120 0.003 0.000 0.249 82 V C 1.696 177.809 176.094 0.032 0.000 1.059 82 V CA 1.987 64.301 62.300 0.022 0.000 1.051 82 V CB -0.209 31.627 31.823 0.023 0.000 0.658 82 V HN 0.526 8.716 8.190 -0.000 0.000 0.455 83 I N 0.303 120.892 120.570 0.032 0.000 2.331 83 I HA 0.176 4.347 4.170 0.003 0.000 0.292 83 I C 1.237 177.356 176.117 0.003 0.000 0.998 83 I CA -0.018 61.311 61.300 0.049 0.000 1.267 83 I CB 1.362 39.415 38.000 0.089 0.000 1.386 83 I HN 0.034 8.244 8.210 -0.000 0.000 0.476 84 K N 5.338 125.720 120.400 -0.031 0.000 2.007 84 K HA -0.100 4.221 4.320 0.003 0.000 0.206 84 K C 0.232 176.815 176.600 -0.028 0.000 1.047 84 K CA 1.472 57.740 56.287 -0.032 0.000 0.937 84 K CB 0.248 32.719 32.500 -0.048 0.000 0.718 84 K HN 0.894 9.144 8.250 -0.000 0.000 0.438 85 N N -2.439 116.236 118.700 -0.041 0.000 3.308 85 N HA -0.061 4.680 4.740 0.003 0.000 0.276 85 N C -0.099 175.365 175.510 -0.078 0.000 1.533 85 N CA -0.505 52.514 53.050 -0.052 0.000 0.878 85 N CB 0.482 38.942 38.487 -0.046 0.000 1.566 85 N HN 0.036 8.416 8.380 -0.000 0.000 0.546 86 E N -1.647 118.456 120.200 -0.162 0.000 2.267 86 E HA -0.203 4.149 4.350 0.003 0.000 0.197 86 E C 0.045 176.523 176.600 -0.203 0.000 0.998 86 E CA 1.216 57.483 56.400 -0.222 0.000 0.830 86 E CB -0.435 29.033 29.700 -0.385 0.000 0.751 86 E HN 0.509 8.869 8.360 -0.000 0.000 0.491 87 H N 0.384 119.446 119.070 -0.012 0.000 2.520 87 H HA 0.182 4.739 4.556 0.002 0.000 0.284 87 H C 0.072 175.353 175.328 -0.078 0.000 1.037 87 H CA -0.226 55.807 56.048 -0.026 0.000 1.168 87 H CB -0.037 29.712 29.762 -0.021 0.000 1.497 87 H HN 0.263 8.543 8.280 -0.000 0.000 0.547 88 Q N 1.309 121.078 119.800 -0.050 0.000 2.361 88 Q HA 0.181 4.522 4.340 0.003 0.000 0.276 88 Q C -0.639 175.154 176.000 -0.346 0.000 1.022 88 Q CA -0.021 55.637 55.803 -0.243 0.000 0.898 88 Q CB 0.775 29.264 28.738 -0.416 0.000 1.246 88 Q HN 0.008 8.278 8.270 -0.000 0.000 0.410 89 V N 5.157 124.863 119.914 -0.347 0.000 2.435 89 V HA 0.324 4.445 4.120 0.003 0.000 0.290 89 V C -0.770 175.084 176.094 -0.400 0.000 1.030 89 V CA -0.511 61.640 62.300 -0.248 0.000 0.881 89 V CB 1.060 32.836 31.823 -0.078 0.000 0.983 89 V HN 0.636 8.826 8.190 -0.000 0.000 0.445 90 F N 3.843 123.810 119.950 0.028 0.000 2.350 90 F HA 0.477 5.006 4.527 0.002 0.000 0.365 90 F C 0.645 176.485 175.800 0.067 0.000 1.122 90 F CA -0.543 57.472 58.000 0.026 0.000 1.139 90 F CB 0.745 39.746 39.000 0.002 0.000 1.220 90 F HN 0.313 8.613 8.300 -0.000 0.000 0.499 91 K N 2.680 123.183 120.400 0.171 0.000 2.143 91 K HA 0.180 4.502 4.320 0.003 0.000 0.272 91 K C -0.294 176.444 176.600 0.230 0.000 1.001 91 K CA -0.749 55.637 56.287 0.165 0.000 0.915 91 K CB 1.170 33.717 32.500 0.077 0.000 1.047 91 K HN 0.578 8.828 8.250 -0.000 0.000 0.458 104 R N -0.329 119.937 120.500 -0.391 0.000 2.739 104 R HA 0.695 5.037 4.340 0.003 0.000 0.271 104 R C -1.748 174.626 176.300 0.124 0.000 1.010 104 R CA -0.862 55.202 56.100 -0.060 0.000 0.897 104 R CB 1.114 31.370 30.300 -0.073 0.000 1.236 104 R HN -0.062 8.208 8.270 -0.000 0.000 0.466 105 D N 1.265 121.770 120.400 0.176 0.000 2.372 105 D HA 0.380 5.022 4.640 0.003 0.000 0.243 105 D C -0.305 176.086 176.300 0.151 0.000 1.121 105 D CA 0.151 54.262 54.000 0.184 0.000 0.898 105 D CB 0.925 41.816 40.800 0.151 0.000 1.202 105 D HN 0.324 8.694 8.370 -0.000 0.000 0.428 106 L N 0.673 122.016 121.223 0.199 0.000 2.393 106 L HA 0.409 4.750 4.340 0.003 0.000 0.260 106 L C 0.662 177.701 176.870 0.282 0.000 1.002 106 L CA -0.891 54.073 54.840 0.206 0.000 0.818 106 L CB 2.253 44.426 42.059 0.189 0.000 1.369 106 L HN 0.400 8.630 8.230 -0.000 0.000 0.412 107 T N -1.751 112.939 114.554 0.227 0.000 2.810 107 T HA 0.249 4.601 4.350 0.003 0.000 0.277 107 T C 0.818 175.728 174.700 0.350 0.000 0.973 107 T CA -0.615 61.630 62.100 0.242 0.000 0.949 107 T CB 1.082 70.048 68.868 0.162 0.000 1.075 107 T HN 0.447 8.687 8.240 -0.000 0.000 0.537 108 L N 0.393 121.830 121.223 0.357 0.000 2.017 108 L HA 0.059 4.401 4.340 0.003 0.000 0.208 108 L C 2.914 179.904 176.870 0.200 0.000 1.073 108 L CA 1.852 56.899 54.840 0.345 0.000 0.745 108 L CB -1.036 41.184 42.059 0.270 0.000 0.894 108 L HN 0.848 9.078 8.230 -0.000 0.000 0.432 109 R N -0.691 119.902 120.500 0.155 0.000 2.080 109 R HA -0.163 4.179 4.340 0.003 0.000 0.236 109 R C 2.189 178.554 176.300 0.107 0.000 1.137 109 R CA 1.729 57.896 56.100 0.112 0.000 0.943 109 R CB -0.977 29.376 30.300 0.088 0.000 0.846 109 R HN 0.540 8.810 8.270 -0.000 0.000 0.431 110 G N -0.260 108.610 108.800 0.116 0.000 2.442 110 G HA2 -0.282 3.680 3.960 0.003 0.000 0.219 110 G HA3 -0.282 3.680 3.960 0.003 0.000 0.219 110 G C 1.516 176.480 174.900 0.105 0.000 1.141 110 G CA 0.798 45.958 45.100 0.100 0.000 0.763 110 G HN 0.518 8.807 8.290 -0.000 0.000 0.554 111 A N 0.525 123.422 122.820 0.128 0.000 1.930 111 A HA 0.103 4.425 4.320 0.003 0.000 0.217 111 A C 2.384 180.099 177.584 0.218 0.000 1.175 111 A CA 1.128 53.246 52.037 0.135 0.000 0.627 111 A CB -0.279 18.705 19.000 -0.028 0.000 0.815 111 A HN 0.389 8.539 8.150 -0.000 0.000 0.443 112 I N -0.659 120.021 120.570 0.184 0.000 2.252 112 I HA -0.243 3.929 4.170 0.003 0.000 0.245 112 I C 2.570 178.696 176.117 0.015 0.000 1.102 112 I CA 1.190 62.522 61.300 0.054 0.000 1.385 112 I CB -0.265 37.770 38.000 0.059 0.000 1.064 112 I HN 0.402 8.612 8.210 -0.000 0.000 0.414 113 Q N -0.141 119.687 119.800 0.047 0.000 2.331 113 Q HA 0.087 4.428 4.340 0.003 0.000 0.203 113 Q C 0.603 176.628 176.000 0.042 0.000 0.944 113 Q CA 0.642 56.469 55.803 0.041 0.000 0.892 113 Q CB 0.594 29.357 28.738 0.042 0.000 0.983 113 Q HN 0.296 8.566 8.270 -0.000 0.000 0.482 114 V N 0.266 120.209 119.914 0.048 0.000 3.193 114 V HA 0.181 4.303 4.120 0.003 0.000 0.320 114 V C 0.049 176.174 176.094 0.051 0.000 1.112 114 V CA -0.730 61.596 62.300 0.044 0.000 1.026 114 V CB 1.907 33.755 31.823 0.042 0.000 1.128 114 V HN 0.023 8.213 8.190 -0.000 0.000 0.452 115 S N 1.505 117.234 115.700 0.049 0.000 2.455 115 S HA 0.530 5.001 4.470 0.003 0.000 0.278 115 S C 0.029 174.667 174.600 0.062 0.000 1.216 115 S CA 0.217 58.452 58.200 0.059 0.000 1.055 115 S CB 0.088 63.319 63.200 0.052 0.000 0.939 115 S HN 1.170 9.480 8.310 -0.000 0.000 0.494 116 A N 4.713 127.591 122.820 0.096 0.000 3.453 116 A HA 0.658 4.979 4.320 0.003 0.000 0.262 116 A C 0.990 178.674 177.584 0.166 0.000 1.026 116 A CA 0.031 52.136 52.037 0.113 0.000 0.938 116 A CB -0.413 18.658 19.000 0.118 0.000 1.246 116 A HN 1.145 9.295 8.150 -0.000 0.000 0.546 117 V N 1.186 121.183 119.914 0.138 0.000 2.220 117 V HA -0.156 3.965 4.120 0.003 0.000 0.250 117 V C 0.218 176.421 176.094 0.183 0.000 1.056 117 V CA 2.976 65.376 62.300 0.167 0.000 1.016 117 V CB -1.735 30.153 31.823 0.109 0.000 0.639 117 V HN 0.481 8.671 8.190 -0.000 0.000 0.446 118 P HA -0.094 4.326 4.420 -0.000 0.000 0.218 118 P C 1.837 179.191 177.300 0.089 0.000 1.148 118 P CA 1.604 64.775 63.100 0.118 0.000 0.822 118 P CB -0.120 31.650 31.700 0.116 0.000 0.784 119 V N -1.226 118.710 119.914 0.037 0.000 2.255 119 V HA -0.244 3.877 4.120 0.003 0.000 0.247 119 V C 2.149 178.085 176.094 -0.264 0.000 1.051 119 V CA 1.924 64.120 62.300 -0.173 0.000 1.018 119 V CB -1.358 30.231 31.823 -0.390 0.000 0.641 119 V HN -0.003 8.187 8.190 -0.000 0.000 0.445 120 F N -0.145 119.770 119.950 -0.058 0.000 2.367 120 F HA -0.060 4.468 4.527 0.002 0.000 0.298 120 F C 2.554 178.426 175.800 0.120 0.000 1.094 120 F CA 0.998 58.969 58.000 -0.048 0.000 1.409 120 F CB -0.377 38.547 39.000 -0.127 0.000 1.064 120 F HN 0.142 8.442 8.300 -0.000 0.000 0.528 121 Q N -0.288 119.723 119.800 0.351 0.000 2.084 121 Q HA -0.275 4.067 4.340 0.003 0.000 0.202 121 Q C 2.135 178.258 176.000 0.206 0.000 0.978 121 Q CA 1.654 57.658 55.803 0.336 0.000 0.844 121 Q CB -0.311 28.556 28.738 0.216 0.000 0.898 121 Q HN 0.287 8.557 8.270 -0.000 0.000 0.426 122 Q N 1.039 120.909 119.800 0.117 0.000 2.079 122 Q HA -0.113 4.229 4.340 0.003 0.000 0.200 122 Q C 1.761 177.800 176.000 0.065 0.000 0.974 122 Q CA 1.393 57.245 55.803 0.081 0.000 0.840 122 Q CB -0.200 28.574 28.738 0.060 0.000 0.898 122 Q HN 0.406 8.676 8.270 -0.000 0.000 0.430 123 I N 0.139 120.709 120.570 0.001 0.000 2.163 123 I HA -0.318 3.853 4.170 0.003 0.000 0.243 123 I C 2.214 178.381 176.117 0.083 0.000 1.085 123 I CA 1.190 62.481 61.300 -0.013 0.000 1.347 123 I CB -0.555 37.338 38.000 -0.178 0.000 1.044 123 I HN 0.293 8.503 8.210 -0.000 0.000 0.408 124 A N 0.679 123.600 122.820 0.168 0.000 1.908 124 A HA -0.217 4.104 4.320 0.003 0.000 0.218 124 A C 2.397 180.125 177.584 0.239 0.000 1.181 124 A CA 1.583 53.785 52.037 0.275 0.000 0.627 124 A CB -0.596 18.688 19.000 0.473 0.000 0.818 124 A HN 0.326 8.476 8.150 -0.000 0.000 0.445 125 R N -0.513 120.106 120.500 0.197 0.000 2.096 125 R HA -0.110 4.231 4.340 0.003 0.000 0.235 125 R C 2.082 178.450 176.300 0.115 0.000 1.127 125 R CA 1.500 57.691 56.100 0.150 0.000 0.968 125 R CB -0.269 30.103 30.300 0.120 0.000 0.861 125 R HN 0.679 8.949 8.270 -0.000 0.000 0.440 126 E N 0.052 120.311 120.200 0.098 0.000 2.107 126 E HA -0.120 4.231 4.350 0.003 0.000 0.191 126 E C 2.033 178.678 176.600 0.075 0.000 0.982 126 E CA 0.965 57.410 56.400 0.075 0.000 0.809 126 E CB 0.122 29.859 29.700 0.061 0.000 0.756 126 E HN 0.087 8.447 8.360 -0.000 0.000 0.459 127 V N 0.438 120.405 119.914 0.089 0.000 2.295 127 V HA -0.114 4.007 4.120 0.003 0.000 0.246 127 V C 1.143 177.297 176.094 0.101 0.000 1.049 127 V CA 1.425 63.779 62.300 0.090 0.000 1.024 127 V CB -0.925 30.959 31.823 0.100 0.000 0.648 127 V HN 0.540 8.730 8.190 -0.000 0.000 0.447 128 G N -0.634 108.236 108.800 0.118 0.000 2.712 128 G HA2 -0.221 3.740 3.960 0.003 0.000 0.686 128 G HA3 -0.221 3.740 3.960 0.003 0.000 0.686 128 G C 0.288 175.243 174.900 0.092 0.000 1.321 128 G CA 0.213 45.373 45.100 0.100 0.000 0.813 128 G HN 0.364 8.654 8.290 -0.000 0.000 0.599 129 E N -0.453 119.785 120.200 0.062 0.000 2.077 129 E HA -0.089 4.263 4.350 0.003 0.000 0.193 129 E C 2.609 179.211 176.600 0.003 0.000 0.989 129 E CA 1.890 58.301 56.400 0.018 0.000 0.800 129 E CB -0.090 29.608 29.700 -0.004 0.000 0.746 129 E HN 0.505 8.865 8.360 -0.000 0.000 0.452 130 V N 1.128 121.050 119.914 0.013 0.000 2.295 130 V HA -0.252 3.870 4.120 0.003 0.000 0.246 130 V C 2.484 178.582 176.094 0.008 0.000 1.049 130 V CA 2.106 64.406 62.300 -0.000 0.000 1.024 130 V CB -0.502 31.322 31.823 0.001 0.000 0.648 130 V HN 0.272 8.462 8.190 -0.000 0.000 0.447 131 R N -0.947 119.582 120.500 0.048 0.000 2.075 131 R HA -0.139 4.202 4.340 0.003 0.000 0.232 131 R C 2.262 178.659 176.300 0.162 0.000 1.126 131 R CA 1.734 57.897 56.100 0.104 0.000 0.963 131 R CB -0.434 29.961 30.300 0.158 0.000 0.858 131 R HN 0.406 8.676 8.270 -0.000 0.000 0.435 132 M N 1.095 120.768 119.600 0.122 0.000 2.080 132 M HA -0.210 4.272 4.480 0.003 0.000 0.260 132 M C 2.196 178.523 176.300 0.046 0.000 1.068 132 M CA 1.795 57.168 55.300 0.122 0.000 1.109 132 M CB -0.215 32.457 32.600 0.120 0.000 1.342 132 M HN -0.082 8.208 8.290 -0.000 0.000 0.405 133 Q N 0.085 119.872 119.800 -0.021 0.000 2.124 133 Q HA -0.224 4.118 4.340 0.003 0.000 0.202 133 Q C 2.037 178.000 176.000 -0.063 0.000 0.977 133 Q CA 2.332 58.101 55.803 -0.057 0.000 0.850 133 Q CB -0.273 28.425 28.738 -0.066 0.000 0.901 133 Q HN 0.623 8.893 8.270 -0.000 0.000 0.429 134 K N -1.370 118.978 120.400 -0.086 0.000 2.057 134 K HA -0.165 4.156 4.320 0.003 0.000 0.206 134 K C 1.727 178.145 176.600 -0.304 0.000 1.050 134 K CA 1.371 57.544 56.287 -0.191 0.000 0.935 134 K CB -0.282 32.063 32.500 -0.258 0.000 0.715 134 K HN 0.255 8.505 8.250 -0.000 0.000 0.439 135 Y N 1.040 121.188 120.300 -0.253 0.000 2.242 135 Y HA -0.121 4.431 4.550 0.002 0.000 0.291 135 Y C 1.890 177.401 175.900 -0.648 0.000 1.137 135 Y CA 1.186 58.950 58.100 -0.559 0.000 1.181 135 Y CB -0.074 38.008 38.460 -0.629 0.000 0.989 135 Y HN 0.008 8.288 8.280 -0.000 0.000 0.527 136 L N -0.155 120.983 121.223 -0.141 0.000 2.141 136 L HA -0.216 4.126 4.340 0.003 0.000 0.209 136 L C 2.441 179.352 176.870 0.068 0.000 1.094 136 L CA 1.367 56.221 54.840 0.023 0.000 0.763 136 L CB -0.494 41.638 42.059 0.122 0.000 0.908 136 L HN 0.185 8.415 8.230 -0.000 0.000 0.437 137 K N 0.980 121.371 120.400 -0.016 0.000 2.002 137 K HA -0.193 4.129 4.320 0.003 0.000 0.209 137 K C 2.137 178.755 176.600 0.031 0.000 1.048 137 K CA 1.418 57.708 56.287 0.005 0.000 0.930 137 K CB 0.077 32.551 32.500 -0.042 0.000 0.714 137 K HN 0.155 8.405 8.250 -0.000 0.000 0.438 138 K N -0.299 120.075 120.400 -0.044 0.000 2.103 138 K HA -0.130 4.191 4.320 0.003 0.000 0.207 138 K C 1.833 178.610 176.600 0.294 0.000 1.048 138 K CA 1.572 57.881 56.287 0.037 0.000 0.930 138 K CB -0.120 32.331 32.500 -0.081 0.000 0.716 138 K HN 0.256 8.506 8.250 -0.000 0.000 0.444 139 F N 0.558 120.615 119.950 0.179 0.000 2.797 139 F HA 0.044 4.572 4.527 0.003 0.000 0.302 139 F C 0.631 176.582 175.800 0.251 0.000 1.130 139 F CA -0.538 57.624 58.000 0.270 0.000 1.387 139 F CB 0.213 39.422 39.000 0.348 0.000 1.107 139 F HN -0.166 8.134 8.300 -0.000 0.000 0.577 140 S N 0.336 116.234 115.700 0.330 0.000 3.550 140 S HA -0.303 4.169 4.470 0.003 0.000 0.372 140 S C -0.309 174.430 174.600 0.230 0.000 0.966 140 S CA 0.106 58.437 58.200 0.217 0.000 1.229 140 S CB -1.971 61.323 63.200 0.155 0.000 0.917 140 S HN 0.464 8.774 8.310 -0.000 0.000 0.496 141 Y N 1.956 122.340 120.300 0.139 0.000 2.595 141 Y HA 0.441 4.992 4.550 0.002 0.000 0.347 141 Y C 1.215 177.157 175.900 0.071 0.000 1.025 141 Y CA 1.018 59.161 58.100 0.071 0.000 1.295 141 Y CB -0.212 38.294 38.460 0.078 0.000 1.147 141 Y HN 0.628 8.908 8.280 -0.000 0.000 0.515 142 G N 4.661 113.379 108.800 -0.137 0.000 2.596 142 G HA2 -0.483 3.479 3.960 0.003 0.000 0.295 142 G HA3 -0.483 3.479 3.960 0.003 0.000 0.295 142 G C 0.819 175.740 174.900 0.034 0.000 1.240 142 G CA 0.636 45.695 45.100 -0.069 0.000 0.985 142 G HN 0.887 9.177 8.290 -0.000 0.000 0.555 143 N N 0.889 119.620 118.700 0.052 0.000 2.515 143 N HA 0.012 4.753 4.740 0.003 0.000 0.185 143 N C 1.220 176.765 175.510 0.058 0.000 1.109 143 N CA 1.509 54.587 53.050 0.047 0.000 0.903 143 N CB -0.170 38.338 38.487 0.035 0.000 0.969 143 N HN 1.026 9.406 8.380 -0.000 0.000 0.450 144 Q N -1.100 118.761 119.800 0.102 0.000 2.480 144 Q HA -0.261 4.081 4.340 0.003 0.000 0.265 144 Q C -1.005 175.004 176.000 0.016 0.000 1.072 144 Q CA 0.786 56.642 55.803 0.089 0.000 1.018 144 Q CB -2.414 26.365 28.738 0.068 0.000 1.433 144 Q HN 0.712 8.982 8.270 -0.000 0.000 0.513 145 N N 0.878 119.589 118.700 0.018 0.000 2.500 145 N HA 0.364 5.106 4.740 0.003 0.000 0.236 145 N C 0.737 176.202 175.510 -0.075 0.000 1.022 145 N CA -0.188 52.848 53.050 -0.022 0.000 0.935 145 N CB 0.487 38.979 38.487 0.008 0.000 1.147 145 N HN 0.371 8.751 8.380 -0.000 0.000 0.512 146 I N 0.969 121.409 120.570 -0.216 0.000 3.914 146 I HA 0.263 4.435 4.170 0.003 0.000 0.333 146 I C 0.142 176.107 176.117 -0.253 0.000 1.449 146 I CA -0.632 60.365 61.300 -0.506 0.000 1.135 146 I CB -0.086 37.271 38.000 -1.071 0.000 1.073 146 I HN 0.226 8.436 8.210 -0.000 0.000 0.401 147 S N 0.655 116.300 115.700 -0.091 0.000 2.593 147 S HA 0.594 5.066 4.470 0.003 0.000 0.269 147 S C 1.096 175.716 174.600 0.033 0.000 1.334 147 S CA 0.306 58.491 58.200 -0.026 0.000 1.015 147 S CB 1.204 64.393 63.200 -0.019 0.000 0.912 147 S HN 0.879 9.189 8.310 -0.000 0.000 0.541 148 G N -0.307 108.512 108.800 0.032 0.000 2.175 148 G HA2 0.411 4.373 3.960 0.003 0.000 0.182 148 G HA3 0.411 4.373 3.960 0.003 0.000 0.182 148 G C 0.666 175.583 174.900 0.027 0.000 1.003 148 G CA -0.124 44.994 45.100 0.029 0.000 0.666 148 G HN 2.456 10.745 8.290 -0.000 0.000 0.506 149 G N -1.214 107.622 108.800 0.061 0.000 3.226 149 G HA2 0.235 4.196 3.960 0.003 0.000 0.685 149 G HA3 0.235 4.196 3.960 0.003 0.000 0.685 149 G C 0.423 175.424 174.900 0.168 0.000 1.207 149 G CA -0.034 45.104 45.100 0.063 0.000 0.877 149 G HN 1.373 9.663 8.290 -0.000 0.000 0.585 150 I N 0.933 121.619 120.570 0.193 0.000 2.530 150 I HA -0.020 4.151 4.170 0.003 0.000 0.257 150 I C 1.916 178.275 176.117 0.403 0.000 1.179 150 I CA 2.344 63.858 61.300 0.356 0.000 1.440 150 I CB 0.075 38.218 38.000 0.238 0.000 1.087 150 I HN 0.630 8.840 8.210 -0.000 0.000 0.440 151 D N -0.471 120.010 120.400 0.134 0.000 2.402 151 D HA 0.011 4.652 4.640 0.003 0.000 0.216 151 D C 1.021 177.005 176.300 -0.526 0.000 1.128 151 D CA 0.062 54.069 54.000 0.012 0.000 0.833 151 D CB -0.264 40.587 40.800 0.085 0.000 0.971 151 D HN 0.547 8.917 8.370 -0.000 0.000 0.503 152 K N 0.219 120.217 120.400 -0.670 0.000 2.603 152 K HA 0.063 4.385 4.320 0.003 0.000 0.202 152 K C 0.661 176.744 176.600 -0.860 0.000 1.279 152 K CA -0.397 55.308 56.287 -0.970 0.000 1.056 152 K CB -1.086 31.128 32.500 -0.477 0.000 1.062 152 K HN 0.093 8.343 8.250 -0.000 0.000 0.606 153 F N 0.964 120.620 119.950 -0.489 0.000 2.269 153 F HA 0.034 4.563 4.527 0.002 0.000 0.301 153 F C 1.660 177.340 175.800 -0.201 0.000 1.082 153 F CA 0.421 58.280 58.000 -0.234 0.000 1.360 153 F CB -0.783 38.167 39.000 -0.083 0.000 1.041 153 F HN 0.186 8.486 8.300 -0.000 0.000 0.512 154 W N 0.476 121.383 121.300 -0.656 0.000 3.139 154 W HA 0.418 5.080 4.660 0.003 0.000 0.260 154 W C 0.636 177.053 176.519 -0.169 0.000 1.312 154 W CA 0.007 57.087 57.345 -0.442 0.000 1.606 154 W CB -0.696 28.303 29.460 -0.767 0.000 1.118 154 W HN 0.047 8.227 8.180 -0.000 0.000 0.675 155 L N 0.233 121.118 121.223 -0.562 0.000 2.600 155 L HA 0.296 4.637 4.340 0.003 0.000 0.213 155 L C 1.874 178.622 176.870 -0.205 0.000 1.045 155 L CA 0.563 55.197 54.840 -0.343 0.000 0.863 155 L CB -0.216 41.522 42.059 -0.536 0.000 1.189 155 L HN -0.110 8.120 8.230 -0.000 0.000 0.484 156 E N 0.193 120.246 120.200 -0.246 0.000 2.641 156 E HA 0.252 4.604 4.350 0.003 0.000 0.224 156 E C 0.862 177.416 176.600 -0.077 0.000 0.951 156 E CA 0.166 56.487 56.400 -0.132 0.000 1.102 156 E CB 1.058 30.673 29.700 -0.141 0.000 1.091 156 E HN 0.337 8.697 8.360 -0.000 0.000 0.507 157 G N 0.863 109.624 108.800 -0.064 0.000 2.714 157 G HA2 0.036 3.998 3.960 0.003 0.000 0.197 157 G HA3 0.036 3.998 3.960 0.003 0.000 0.197 157 G C 0.652 175.579 174.900 0.046 0.000 1.449 157 G CA -0.134 44.971 45.100 0.010 0.000 1.065 157 G HN -0.108 8.182 8.290 -0.000 0.000 0.575 158 Q N -1.011 118.832 119.800 0.072 0.000 2.319 158 Q HA 0.187 4.528 4.340 0.003 0.000 0.202 158 Q C 0.391 176.442 176.000 0.086 0.000 0.896 158 Q CA -0.453 55.385 55.803 0.059 0.000 0.942 158 Q CB 0.345 29.103 28.738 0.034 0.000 1.083 158 Q HN 0.257 8.527 8.270 -0.000 0.000 0.510 159 L N 2.284 123.593 121.223 0.142 0.000 2.416 159 L HA 0.156 4.498 4.340 0.003 0.000 0.272 159 L C -0.504 176.472 176.870 0.178 0.000 1.161 159 L CA 0.608 55.556 54.840 0.180 0.000 0.845 159 L CB 0.350 42.585 42.059 0.294 0.000 1.119 159 L HN -0.105 8.125 8.230 -0.000 0.000 0.464 160 R N 6.115 126.708 120.500 0.155 0.000 2.698 160 R HA 0.623 4.965 4.340 0.003 0.000 0.275 160 R C -1.462 174.904 176.300 0.109 0.000 1.001 160 R CA -0.701 55.486 56.100 0.144 0.000 0.896 160 R CB 1.915 32.255 30.300 0.067 0.000 1.218 160 R HN 0.794 9.064 8.270 -0.000 0.000 0.462 161 I N 0.564 121.225 120.570 0.151 0.000 2.775 161 I HA 0.270 4.442 4.170 0.003 0.000 0.295 161 I C -0.337 175.941 176.117 0.268 0.000 1.287 161 I CA -0.326 61.004 61.300 0.050 0.000 1.029 161 I CB 2.322 40.152 38.000 -0.284 0.000 1.282 161 I HN 0.815 9.025 8.210 -0.000 0.000 0.426 162 S N 5.171 120.983 115.700 0.186 0.000 2.672 162 S HA 0.599 5.071 4.470 0.003 0.000 0.276 162 S C 1.080 175.908 174.600 0.380 0.000 1.207 162 S CA 0.057 58.438 58.200 0.301 0.000 1.002 162 S CB 1.812 65.102 63.200 0.150 0.000 0.998 162 S HN 0.831 9.141 8.310 -0.000 0.000 0.542 163 A N 1.388 124.470 122.820 0.436 0.000 1.908 163 A HA -0.006 4.316 4.320 0.003 0.000 0.218 163 A C 2.128 179.848 177.584 0.226 0.000 1.181 163 A CA 1.758 54.046 52.037 0.418 0.000 0.627 163 A CB -1.386 17.812 19.000 0.331 0.000 0.818 163 A HN 0.822 8.972 8.150 -0.000 0.000 0.445 164 V N 0.506 120.513 119.914 0.156 0.000 2.343 164 V HA -0.305 3.816 4.120 0.003 0.000 0.247 164 V C 2.345 178.475 176.094 0.059 0.000 1.051 164 V CA 2.331 64.685 62.300 0.090 0.000 1.036 164 V CB -1.044 30.819 31.823 0.066 0.000 0.654 164 V HN 0.793 8.983 8.190 -0.000 0.000 0.451 165 N N -0.843 117.889 118.700 0.052 0.000 2.188 165 N HA -0.197 4.545 4.740 0.003 0.000 0.184 165 N C 1.988 177.499 175.510 0.002 0.000 1.018 165 N CA 0.792 53.845 53.050 0.005 0.000 0.858 165 N CB 0.034 38.495 38.487 -0.043 0.000 0.989 165 N HN 0.479 8.859 8.380 -0.000 0.000 0.426 166 Q N 0.291 120.097 119.800 0.010 0.000 2.084 166 Q HA -0.125 4.217 4.340 0.003 0.000 0.202 166 Q C 2.247 178.299 176.000 0.088 0.000 0.978 166 Q CA 1.127 56.945 55.803 0.025 0.000 0.844 166 Q CB -0.296 28.436 28.738 -0.010 0.000 0.898 166 Q HN 0.330 8.600 8.270 -0.000 0.000 0.426 167 V N 1.448 121.398 119.914 0.060 0.000 2.343 167 V HA -0.255 3.867 4.120 0.003 0.000 0.247 167 V C 2.086 178.106 176.094 -0.125 0.000 1.051 167 V CA 1.891 64.192 62.300 0.002 0.000 1.036 167 V CB -0.487 31.352 31.823 0.026 0.000 0.654 167 V HN 0.377 8.567 8.190 -0.000 0.000 0.451 168 E N -0.660 119.498 120.200 -0.070 0.000 2.051 168 E HA -0.246 4.105 4.350 0.003 0.000 0.192 168 E C 2.024 178.572 176.600 -0.086 0.000 0.991 168 E CA 1.660 57.996 56.400 -0.107 0.000 0.799 168 E CB -0.264 29.416 29.700 -0.033 0.000 0.748 168 E HN 0.654 9.014 8.360 -0.000 0.000 0.449 169 F N 1.364 121.241 119.950 -0.121 0.000 2.102 169 F HA -0.202 4.327 4.527 0.003 0.000 0.298 169 F C 1.930 177.652 175.800 -0.130 0.000 1.105 169 F CA 1.300 59.243 58.000 -0.095 0.000 1.239 169 F CB -0.024 38.969 39.000 -0.013 0.000 0.991 169 F HN -0.084 8.216 8.300 -0.000 0.000 0.474 170 L N 0.194 121.315 121.223 -0.170 0.000 2.083 170 L HA -0.200 4.142 4.340 0.003 0.000 0.209 170 L C 2.505 179.119 176.870 -0.426 0.000 1.083 170 L CA 1.748 56.488 54.840 -0.166 0.000 0.752 170 L CB -0.844 41.340 42.059 0.209 0.000 0.899 170 L HN 0.298 8.528 8.230 -0.000 0.000 0.433 171 E N 0.081 119.886 120.200 -0.657 0.000 2.051 171 E HA -0.199 4.153 4.350 0.003 0.000 0.192 171 E C 2.219 178.509 176.600 -0.517 0.000 0.991 171 E CA 1.536 57.351 56.400 -0.974 0.000 0.799 171 E CB 0.122 29.131 29.700 -1.151 0.000 0.748 171 E HN 0.380 8.740 8.360 -0.000 0.000 0.449 172 S N 0.950 116.392 115.700 -0.430 0.000 2.370 172 S HA -0.185 4.286 4.470 0.003 0.000 0.226 172 S C 1.860 176.231 174.600 -0.382 0.000 1.033 172 S CA 1.140 59.136 58.200 -0.340 0.000 1.011 172 S CB -0.382 62.646 63.200 -0.287 0.000 0.852 172 S HN 0.280 8.590 8.310 -0.000 0.000 0.457 173 L N 0.893 121.807 121.223 -0.516 0.000 2.017 173 L HA -0.089 4.253 4.340 0.003 0.000 0.208 173 L C 2.023 178.672 176.870 -0.368 0.000 1.073 173 L CA 1.800 56.371 54.840 -0.449 0.000 0.745 173 L CB -1.108 40.674 42.059 -0.461 0.000 0.894 173 L HN 0.363 8.593 8.230 -0.000 0.000 0.432 174 Y N -0.064 119.836 120.300 -0.666 0.000 2.151 174 Y HA -0.239 4.312 4.550 0.002 0.000 0.284 174 Y C 2.016 177.673 175.900 -0.405 0.000 1.166 174 Y CA 2.086 59.739 58.100 -0.744 0.000 1.163 174 Y CB -0.249 37.672 38.460 -0.898 0.000 0.974 174 Y HN 0.232 8.512 8.280 -0.000 0.000 0.511 175 L N 0.589 121.638 121.223 -0.291 0.000 2.591 175 L HA -0.007 4.335 4.340 0.003 0.000 0.228 175 L C 0.269 177.005 176.870 -0.224 0.000 1.133 175 L CA 0.469 55.158 54.840 -0.252 0.000 0.880 175 L CB -0.384 41.594 42.059 -0.135 0.000 1.033 175 L HN 0.298 8.527 8.230 -0.000 0.000 0.450 176 N N 0.298 118.858 118.700 -0.234 0.000 2.741 176 N HA -0.214 4.527 4.740 0.003 0.000 0.250 176 N C 0.651 176.082 175.510 -0.131 0.000 1.115 176 N CA 0.915 53.862 53.050 -0.172 0.000 0.724 176 N CB -1.092 37.308 38.487 -0.145 0.000 1.090 176 N HN 0.459 8.839 8.380 -0.000 0.000 0.558 177 K N 0.154 120.466 120.400 -0.147 0.000 2.393 177 K HA 0.226 4.547 4.320 0.003 0.000 0.193 177 K C 0.965 177.519 176.600 -0.077 0.000 1.026 177 K CA 0.070 56.295 56.287 -0.102 0.000 1.064 177 K CB 0.442 32.877 32.500 -0.108 0.000 0.833 177 K HN 0.209 8.459 8.250 -0.000 0.000 0.521 178 L N 1.177 122.327 121.223 -0.122 0.000 2.473 178 L HA 0.014 4.356 4.340 0.003 0.000 0.268 178 L C 0.448 177.373 176.870 0.093 0.000 1.215 178 L CA -0.049 54.755 54.840 -0.059 0.000 0.823 178 L CB 0.711 42.604 42.059 -0.276 0.000 1.099 178 L HN -0.051 8.179 8.230 -0.000 0.000 0.483 179 S N 1.859 117.727 115.700 0.280 0.000 3.919 179 S HA 0.492 4.964 4.470 0.003 0.000 0.245 179 S C 0.016 174.828 174.600 0.352 0.000 1.344 179 S CA -0.322 58.041 58.200 0.272 0.000 0.896 179 S CB -0.438 62.911 63.200 0.248 0.000 1.557 179 S HN 0.623 8.933 8.310 -0.000 0.000 0.468 180 A N 1.699 124.651 122.820 0.220 0.000 2.601 180 A HA 0.728 5.050 4.320 0.003 0.000 0.291 180 A C 0.011 177.648 177.584 0.087 0.000 1.075 180 A CA -0.958 51.194 52.037 0.192 0.000 0.671 180 A CB 0.462 19.579 19.000 0.196 0.000 1.277 180 A HN 0.584 8.734 8.150 -0.000 0.000 0.417 181 S N 0.409 116.148 115.700 0.065 0.000 2.573 181 S HA 0.166 4.637 4.470 0.003 0.000 0.277 181 S C 0.988 175.591 174.600 0.004 0.000 1.346 181 S CA 0.615 58.833 58.200 0.029 0.000 1.034 181 S CB 0.831 64.045 63.200 0.023 0.000 0.879 181 S HN 0.986 9.296 8.310 -0.000 0.000 0.528 182 K N 1.178 121.571 120.400 -0.012 0.000 2.057 182 K HA -0.198 4.124 4.320 0.003 0.000 0.207 182 K C 2.150 178.732 176.600 -0.029 0.000 1.049 182 K CA 1.699 57.966 56.287 -0.033 0.000 0.931 182 K CB -0.315 32.162 32.500 -0.040 0.000 0.714 182 K HN 0.859 9.109 8.250 -0.000 0.000 0.440 183 E N 0.297 120.486 120.200 -0.018 0.000 2.070 183 E HA -0.256 4.095 4.350 0.003 0.000 0.197 183 E C 1.506 178.096 176.600 -0.016 0.000 1.004 183 E CA 1.545 57.935 56.400 -0.017 0.000 0.805 183 E CB -0.029 29.664 29.700 -0.012 0.000 0.744 183 E HN 0.355 8.715 8.360 -0.000 0.000 0.451 184 N N 0.366 119.061 118.700 -0.009 0.000 2.270 184 N HA -0.118 4.623 4.740 0.003 0.000 0.181 184 N C 1.796 177.300 175.510 -0.012 0.000 1.016 184 N CA 0.933 53.979 53.050 -0.006 0.000 0.870 184 N CB -0.167 38.323 38.487 0.005 0.000 0.979 184 N HN 0.336 8.716 8.380 -0.000 0.000 0.431 185 Q N 0.404 120.188 119.800 -0.026 0.000 2.079 185 Q HA 0.004 4.346 4.340 0.003 0.000 0.200 185 Q C 2.141 178.127 176.000 -0.023 0.000 0.974 185 Q CA 0.814 56.588 55.803 -0.047 0.000 0.840 185 Q CB -0.114 28.572 28.738 -0.087 0.000 0.898 185 Q HN 0.335 8.605 8.270 -0.000 0.000 0.430 186 L N 0.280 121.490 121.223 -0.022 0.000 2.042 186 L HA -0.230 4.111 4.340 0.003 0.000 0.210 186 L C 2.328 179.212 176.870 0.024 0.000 1.076 186 L CA 1.071 55.911 54.840 -0.000 0.000 0.749 186 L CB -0.407 41.645 42.059 -0.013 0.000 0.893 186 L HN 0.260 8.490 8.230 -0.000 0.000 0.432 187 I N -0.974 119.599 120.570 0.006 0.000 2.179 187 I HA -0.280 3.891 4.170 0.003 0.000 0.242 187 I C 2.394 178.531 176.117 0.034 0.000 1.088 187 I CA 1.164 62.467 61.300 0.005 0.000 1.357 187 I CB -0.201 37.789 38.000 -0.017 0.000 1.051 187 I HN 0.006 8.216 8.210 -0.000 0.000 0.409 188 V N 0.563 120.500 119.914 0.037 0.000 2.427 188 V HA -0.260 3.861 4.120 0.003 0.000 0.248 188 V C 2.383 178.532 176.094 0.091 0.000 1.051 188 V CA 1.683 64.016 62.300 0.054 0.000 1.048 188 V CB -0.655 31.188 31.823 0.033 0.000 0.666 188 V HN 0.363 8.553 8.190 -0.000 0.000 0.456 189 K N -0.127 120.345 120.400 0.121 0.000 2.063 189 K HA -0.246 4.075 4.320 0.003 0.000 0.208 189 K C 2.250 179.017 176.600 0.278 0.000 1.048 189 K CA 1.826 58.255 56.287 0.238 0.000 0.928 189 K CB -0.170 32.460 32.500 0.216 0.000 0.713 189 K HN 0.516 8.766 8.250 -0.000 0.000 0.442 190 E N 0.400 120.700 120.200 0.167 0.000 2.150 190 E HA -0.160 4.192 4.350 0.003 0.000 0.193 190 E C 1.780 178.410 176.600 0.050 0.000 0.985 190 E CA 0.810 57.274 56.400 0.107 0.000 0.814 190 E CB 0.011 29.754 29.700 0.071 0.000 0.752 190 E HN 0.324 8.684 8.360 -0.000 0.000 0.466 191 A N 0.535 123.392 122.820 0.062 0.000 2.070 191 A HA -0.100 4.222 4.320 0.003 0.000 0.220 191 A C 1.934 179.532 177.584 0.023 0.000 1.159 191 A CA 0.804 52.870 52.037 0.049 0.000 0.656 191 A CB -0.282 18.758 19.000 0.068 0.000 0.800 191 A HN 0.280 8.430 8.150 -0.000 0.000 0.453 192 L N -0.143 121.092 121.223 0.020 0.000 2.592 192 L HA 0.093 4.435 4.340 0.003 0.000 0.227 192 L C 0.057 176.825 176.870 -0.171 0.000 1.127 192 L CA -0.407 54.411 54.840 -0.038 0.000 0.884 192 L CB 0.152 42.194 42.059 -0.029 0.000 1.065 192 L HN 0.031 8.261 8.230 -0.000 0.000 0.457 193 V N 1.018 120.774 119.914 -0.263 0.000 2.540 193 V HA -0.065 4.056 4.120 0.003 0.000 0.297 193 V C 1.450 177.443 176.094 -0.168 0.000 1.024 193 V CA 1.245 63.309 62.300 -0.393 0.000 1.105 193 V CB 0.804 32.429 31.823 -0.331 0.000 0.938 193 V HN 0.499 8.689 8.190 -0.000 0.000 0.482 194 T N 0.780 115.258 114.554 -0.127 0.000 2.958 194 T HA 0.336 4.687 4.350 0.003 0.000 0.256 194 T C 0.274 174.987 174.700 0.022 0.000 0.983 194 T CA -0.201 61.894 62.100 -0.008 0.000 0.924 194 T CB 0.389 69.304 68.868 0.079 0.000 1.136 194 T HN 0.631 8.871 8.240 -0.000 0.000 0.506 195 E N 0.338 120.545 120.200 0.011 0.000 2.343 195 E HA 0.695 5.046 4.350 0.003 0.000 0.278 195 E C -1.714 174.917 176.600 0.052 0.000 0.910 195 E CA -1.135 55.302 56.400 0.061 0.000 0.757 195 E CB 2.471 32.256 29.700 0.142 0.000 1.218 195 E HN 0.345 8.705 8.360 -0.000 0.000 0.435 196 A N 1.522 124.380 122.820 0.062 0.000 2.437 196 A HA 0.836 5.158 4.320 0.003 0.000 0.293 196 A C -1.368 176.261 177.584 0.075 0.000 1.038 196 A CA -0.280 51.793 52.037 0.061 0.000 0.708 196 A CB 1.489 20.502 19.000 0.022 0.000 1.251 196 A HN 0.605 8.755 8.150 -0.000 0.000 0.409 197 A N 2.947 125.831 122.820 0.108 0.000 2.566 197 A HA 0.908 5.230 4.320 0.003 0.000 0.292 197 A C -2.296 175.345 177.584 0.094 0.000 1.112 197 A CA -1.474 50.617 52.037 0.090 0.000 0.707 197 A CB 0.471 19.527 19.000 0.093 0.000 1.302 197 A HN 0.426 8.576 8.150 -0.000 0.000 0.409 198 P HA -0.127 4.293 4.420 -0.000 0.000 0.216 198 P C 0.401 177.752 177.300 0.085 0.000 1.153 198 P CA 1.633 64.772 63.100 0.067 0.000 0.858 198 P CB 0.301 32.031 31.700 0.050 0.000 0.789 199 E N -3.448 116.819 120.200 0.112 0.000 2.789 199 E HA 0.186 4.538 4.350 0.003 0.000 0.208 199 E C -0.783 175.941 176.600 0.206 0.000 0.988 199 E CA -0.251 56.226 56.400 0.129 0.000 1.092 199 E CB 0.298 30.063 29.700 0.109 0.000 1.066 199 E HN 0.227 8.587 8.360 -0.000 0.000 0.465 200 Y N 0.794 121.126 120.300 0.053 0.000 2.330 200 Y HA 0.407 4.958 4.550 0.002 0.000 0.324 200 Y C -1.902 174.032 175.900 0.058 0.000 1.093 200 Y CA -1.136 56.999 58.100 0.058 0.000 1.103 200 Y CB 1.229 39.712 38.460 0.038 0.000 1.183 200 Y HN 0.012 8.292 8.280 -0.000 0.000 0.433 201 L N 6.498 127.672 121.223 -0.083 0.000 2.436 201 L HA 0.835 5.177 4.340 0.003 0.000 0.268 201 L C -1.859 174.961 176.870 -0.083 0.000 0.974 201 L CA -0.704 54.131 54.840 -0.007 0.000 0.826 201 L CB 2.104 44.205 42.059 0.070 0.000 1.291 201 L HN 0.393 8.623 8.230 -0.000 0.000 0.406 202 V N 3.865 123.729 119.914 -0.082 0.000 2.540 202 V HA 0.482 4.603 4.120 0.003 0.000 0.302 202 V C -1.001 174.932 176.094 -0.267 0.000 1.035 202 V CA -0.603 61.633 62.300 -0.107 0.000 0.873 202 V CB 1.645 33.482 31.823 0.022 0.000 0.992 202 V HN 0.734 8.924 8.190 -0.000 0.000 0.428 203 H N 2.250 121.004 119.070 -0.527 0.000 2.481 203 H HA 0.784 5.341 4.556 0.002 0.000 0.333 203 H C 0.074 175.017 175.328 -0.642 0.000 1.066 203 H CA -0.007 55.613 56.048 -0.713 0.000 1.209 203 H CB 1.720 30.613 29.762 -1.448 0.000 1.445 203 H HN 0.849 9.129 8.280 -0.000 0.000 0.488 204 S N 2.213 117.763 115.700 -0.251 0.000 2.615 204 S HA 0.717 5.189 4.470 0.003 0.000 0.269 204 S C -1.316 173.282 174.600 -0.004 0.000 1.161 204 S CA -1.139 56.947 58.200 -0.189 0.000 0.817 204 S CB 2.592 65.774 63.200 -0.030 0.000 1.131 204 S HN 0.433 8.743 8.310 -0.000 0.000 0.467 205 K N 1.004 121.445 120.400 0.068 0.000 2.550 205 K HA 0.598 4.919 4.320 0.003 0.000 0.252 205 K C -0.623 176.198 176.600 0.369 0.000 0.943 205 K CA -0.048 56.341 56.287 0.170 0.000 0.806 205 K CB 1.914 34.437 32.500 0.039 0.000 1.289 205 K HN 1.023 9.273 8.250 -0.000 0.000 0.435 206 T N -0.219 114.559 114.554 0.374 0.000 2.902 206 T HA 0.874 5.226 4.350 0.003 0.000 0.280 206 T C 0.327 175.207 174.700 0.300 0.000 0.992 206 T CA -0.541 61.794 62.100 0.391 0.000 1.015 206 T CB 1.609 70.617 68.868 0.234 0.000 1.044 206 T HN 0.614 8.854 8.240 -0.000 0.000 0.520 207 G N -0.113 108.924 108.800 0.395 0.000 2.704 207 G HA2 0.593 4.555 3.960 0.003 0.000 0.293 207 G HA3 0.593 4.555 3.960 0.003 0.000 0.293 207 G C -2.138 173.089 174.900 0.545 0.000 1.421 207 G CA -0.819 44.529 45.100 0.413 0.000 0.870 207 G HN 0.830 9.120 8.290 -0.000 0.000 0.492 208 F N 1.307 121.415 119.950 0.264 0.000 2.670 208 F HA 0.459 4.988 4.527 0.003 0.000 0.332 208 F C 0.732 176.633 175.800 0.168 0.000 1.179 208 F CA -0.903 57.216 58.000 0.198 0.000 1.076 208 F CB 1.566 40.645 39.000 0.132 0.000 1.322 208 F HN 0.596 8.896 8.300 -0.000 0.000 0.515 209 S N 3.043 118.792 115.700 0.082 0.000 2.496 209 S HA 0.611 5.082 4.470 0.003 0.000 0.224 209 S C 0.809 175.188 174.600 -0.368 0.000 0.996 209 S CA 0.420 58.569 58.200 -0.085 0.000 0.927 209 S CB -0.359 62.872 63.200 0.052 0.000 0.774 209 S HN 2.052 10.362 8.310 -0.000 0.000 0.524 210 G N -0.102 108.208 108.800 -0.816 0.000 2.334 210 G HA2 0.189 4.151 3.960 0.003 0.000 0.566 210 G HA3 0.189 4.151 3.960 0.003 0.000 0.566 210 G C -1.205 173.559 174.900 -0.227 0.000 1.413 210 G CA -0.636 43.972 45.100 -0.820 0.000 0.993 210 G HN 0.520 8.810 8.290 -0.000 0.000 0.642 211 V N 1.612 121.533 119.914 0.011 0.000 2.427 211 V HA 0.588 4.710 4.120 0.003 0.000 0.268 211 V C 1.424 177.565 176.094 0.079 0.000 1.046 211 V CA 0.959 63.379 62.300 0.200 0.000 0.970 211 V CB 0.533 32.478 31.823 0.203 0.000 1.001 211 V HN 1.367 9.557 8.190 -0.000 0.000 0.476 212 G N 3.973 112.824 108.800 0.084 0.000 2.702 212 G HA2 0.676 4.637 3.960 0.003 0.000 0.254 212 G HA3 0.676 4.637 3.960 0.003 0.000 0.254 212 G C 0.048 174.975 174.900 0.046 0.000 1.380 212 G CA 0.057 45.186 45.100 0.049 0.000 1.042 212 G HN 0.727 9.017 8.290 -0.000 0.000 0.557 213 T N -3.102 111.473 114.554 0.035 0.000 2.936 213 T HA 0.367 4.718 4.350 0.003 0.000 0.282 213 T C 1.045 175.763 174.700 0.031 0.000 1.003 213 T CA -0.070 62.049 62.100 0.030 0.000 1.005 213 T CB 2.141 71.023 68.868 0.022 0.000 1.097 213 T HN 0.557 8.797 8.240 -0.000 0.000 0.532 214 E N 0.190 120.405 120.200 0.026 0.000 2.130 214 E HA -0.206 4.146 4.350 0.003 0.000 0.196 214 E C 1.944 178.558 176.600 0.023 0.000 0.998 214 E CA 1.720 58.134 56.400 0.024 0.000 0.806 214 E CB -0.172 29.540 29.700 0.020 0.000 0.738 214 E HN 0.763 9.123 8.360 -0.000 0.000 0.459 215 S N -1.139 114.574 115.700 0.021 0.000 2.503 215 S HA 0.045 4.517 4.470 0.003 0.000 0.217 215 S C 0.380 174.994 174.600 0.024 0.000 0.999 215 S CA -0.073 58.140 58.200 0.021 0.000 0.914 215 S CB 0.085 63.295 63.200 0.016 0.000 0.782 215 S HN 0.176 8.486 8.310 -0.000 0.000 0.520 216 N N 2.652 121.369 118.700 0.027 0.000 2.752 216 N HA 0.360 5.102 4.740 0.003 0.000 0.260 216 N C -3.137 172.396 175.510 0.038 0.000 1.562 216 N CA -1.183 51.885 53.050 0.031 0.000 0.788 216 N CB 1.967 40.469 38.487 0.024 0.000 1.192 216 N HN 0.333 8.713 8.380 -0.000 0.000 0.503 217 P HA 0.179 4.599 4.420 -0.000 0.000 0.274 217 P C 0.414 177.752 177.300 0.063 0.000 1.237 217 P CA 0.002 63.133 63.100 0.052 0.000 0.793 217 P CB 1.017 32.743 31.700 0.043 0.000 0.977 218 G N -0.084 108.764 108.800 0.080 0.000 2.543 218 G HA2 0.466 4.427 3.960 0.003 0.000 0.290 218 G HA3 0.466 4.427 3.960 0.003 0.000 0.290 218 G C -0.947 174.011 174.900 0.097 0.000 1.310 218 G CA -0.499 44.658 45.100 0.095 0.000 1.025 218 G HN 0.489 8.779 8.290 -0.000 0.000 0.502 219 V N -0.818 119.168 119.914 0.119 0.000 2.680 219 V HA 0.811 4.933 4.120 0.003 0.000 0.309 219 V C -0.267 175.924 176.094 0.161 0.000 1.052 219 V CA -0.305 62.006 62.300 0.018 0.000 0.908 219 V CB 1.622 33.385 31.823 -0.100 0.000 1.001 219 V HN 1.296 9.486 8.190 -0.000 0.000 0.431 220 A N 5.277 128.125 122.820 0.046 0.000 2.386 220 A HA 0.913 5.235 4.320 0.003 0.000 0.311 220 A C -1.717 175.948 177.584 0.135 0.000 1.068 220 A CA -0.580 51.576 52.037 0.198 0.000 0.743 220 A CB 1.173 20.248 19.000 0.126 0.000 1.258 220 A HN 0.899 9.049 8.150 -0.000 0.000 0.429 221 W N -0.009 121.480 121.300 0.315 0.000 2.950 221 W HA 0.658 5.320 4.660 0.002 0.000 0.340 221 W C -1.132 175.704 176.519 0.528 0.000 1.139 221 W CA -0.038 57.553 57.345 0.410 0.000 1.188 221 W CB 1.847 31.503 29.460 0.326 0.000 1.426 221 W HN 0.713 8.893 8.180 -0.000 0.000 0.531 222 W N 4.120 125.842 121.300 0.703 0.000 2.884 222 W HA 0.600 5.262 4.660 0.003 0.000 0.336 222 W C -1.548 175.347 176.519 0.626 0.000 1.038 222 W CA -1.534 56.133 57.345 0.536 0.000 1.247 222 W CB 0.989 30.686 29.460 0.395 0.000 1.351 222 W HN 0.308 8.488 8.180 -0.000 0.000 0.446 223 V N 4.312 124.351 119.914 0.208 0.000 3.001 223 V HA 1.092 5.214 4.120 0.003 0.000 0.314 223 V C -0.085 175.487 176.094 -0.870 0.000 1.099 223 V CA -0.095 62.032 62.300 -0.289 0.000 0.989 223 V CB 1.331 33.117 31.823 -0.062 0.000 1.040 223 V HN 1.257 9.447 8.190 -0.000 0.000 0.434 224 G N 1.583 109.570 108.800 -1.355 0.000 2.404 224 G HA2 0.466 4.428 3.960 0.003 0.000 0.253 224 G HA3 0.466 4.428 3.960 0.003 0.000 0.253 224 G C -1.824 172.653 174.900 -0.705 0.000 1.253 224 G CA -0.007 44.494 45.100 -0.997 0.000 0.917 224 G HN 2.276 10.566 8.290 -0.000 0.000 0.480 225 W N -0.929 120.164 121.300 -0.344 0.000 3.213 225 W HA 0.749 5.411 4.660 0.002 0.000 0.318 225 W C -1.488 175.018 176.519 -0.022 0.000 1.248 225 W CA -1.420 55.806 57.345 -0.198 0.000 1.187 225 W CB 1.249 30.437 29.460 -0.453 0.000 1.403 225 W HN 0.564 8.744 8.180 -0.000 0.000 0.556 226 V N 2.431 122.445 119.914 0.166 0.000 2.409 226 V HA 0.332 4.453 4.120 0.003 0.000 0.291 226 V C -0.466 175.622 176.094 -0.009 0.000 1.020 226 V CA -0.906 61.393 62.300 -0.001 0.000 0.848 226 V CB 1.376 33.164 31.823 -0.058 0.000 0.990 226 V HN 0.625 8.815 8.190 -0.000 0.000 0.430 227 E N 4.194 124.366 120.200 -0.045 0.000 2.081 227 E HA 0.354 4.706 4.350 0.003 0.000 0.276 227 E C -0.473 176.051 176.600 -0.126 0.000 0.950 227 E CA -0.440 55.947 56.400 -0.021 0.000 0.776 227 E CB 1.491 31.260 29.700 0.116 0.000 1.094 227 E HN 0.421 8.781 8.360 -0.000 0.000 0.402 228 K N 4.629 125.013 120.400 -0.027 0.000 2.450 228 K HA 0.133 4.455 4.320 0.003 0.000 0.257 228 K C -0.266 176.400 176.600 0.110 0.000 0.953 228 K CA -0.034 56.293 56.287 0.067 0.000 0.844 228 K CB 0.726 33.345 32.500 0.198 0.000 1.103 228 K HN 0.656 8.906 8.250 -0.000 0.000 0.429 229 E N 0.247 120.514 120.200 0.113 0.000 3.289 229 E HA -0.341 4.011 4.350 0.003 0.000 0.386 229 E C 0.264 176.898 176.600 0.058 0.000 1.526 229 E CA 2.384 58.835 56.400 0.086 0.000 1.519 229 E CB -1.100 28.652 29.700 0.087 0.000 1.657 229 E HN 0.796 9.156 8.360 -0.000 0.000 0.479 230 T N -1.051 113.528 114.554 0.042 0.000 3.145 230 T HA 0.346 4.698 4.350 0.003 0.000 0.255 230 T C 0.052 174.743 174.700 -0.015 0.000 1.039 230 T CA 0.334 62.446 62.100 0.020 0.000 0.928 230 T CB 0.409 69.288 68.868 0.018 0.000 1.029 230 T HN 0.223 8.463 8.240 -0.000 0.000 0.554 231 E N 0.826 121.007 120.200 -0.032 0.000 2.227 231 E HA 0.640 4.991 4.350 0.003 0.000 0.268 231 E C -1.309 175.148 176.600 -0.237 0.000 0.990 231 E CA -0.997 55.312 56.400 -0.152 0.000 0.856 231 E CB 2.007 31.613 29.700 -0.156 0.000 1.159 231 E HN 0.106 8.466 8.360 -0.000 0.000 0.401 232 V N 4.017 123.648 119.914 -0.471 0.000 2.789 232 V HA 0.572 4.694 4.120 0.003 0.000 0.311 232 V C -1.812 173.768 176.094 -0.857 0.000 1.073 232 V CA -0.513 61.438 62.300 -0.583 0.000 0.921 232 V CB 1.146 32.515 31.823 -0.757 0.000 1.009 232 V HN 0.683 8.873 8.190 -0.000 0.000 0.426 233 Y N 5.517 125.549 120.300 -0.447 0.000 2.338 233 Y HA 0.618 5.169 4.550 0.002 0.000 0.333 233 Y C -0.418 175.261 175.900 -0.369 0.000 0.968 233 Y CA -0.595 57.332 58.100 -0.288 0.000 1.123 233 Y CB 1.850 40.276 38.460 -0.058 0.000 1.165 233 Y HN 0.575 8.855 8.280 -0.000 0.000 0.452 234 F N 4.764 124.799 119.950 0.141 0.000 2.394 234 F HA 0.571 5.099 4.527 0.002 0.000 0.340 234 F C -0.247 175.648 175.800 0.158 0.000 1.105 234 F CA -0.890 57.165 58.000 0.092 0.000 1.124 234 F CB 0.838 39.807 39.000 -0.051 0.000 1.145 234 F HN 0.343 8.643 8.300 -0.000 0.000 0.505 235 F N 0.765 120.825 119.950 0.184 0.000 2.613 235 F HA 0.926 5.454 4.527 0.002 0.000 0.310 235 F C -1.398 174.477 175.800 0.126 0.000 1.085 235 F CA -1.616 56.408 58.000 0.039 0.000 0.945 235 F CB 1.437 40.458 39.000 0.035 0.000 1.298 235 F HN 0.571 8.871 8.300 -0.000 0.000 0.455 236 A N 2.959 125.963 122.820 0.306 0.000 2.437 236 A HA 0.722 5.043 4.320 0.003 0.000 0.293 236 A C -2.378 175.631 177.584 0.709 0.000 1.038 236 A CA -0.473 51.834 52.037 0.450 0.000 0.708 236 A CB 0.950 20.158 19.000 0.347 0.000 1.251 236 A HN 1.009 9.159 8.150 -0.000 0.000 0.409 237 F N 3.278 123.667 119.950 0.731 0.000 2.532 237 F HA 0.730 5.259 4.527 0.002 0.000 0.321 237 F C -0.435 175.597 175.800 0.387 0.000 1.089 237 F CA -0.535 57.856 58.000 0.652 0.000 0.926 237 F CB 1.965 41.380 39.000 0.691 0.000 1.168 237 F HN 0.769 9.069 8.300 -0.000 0.000 0.459 238 N N 5.161 123.513 118.700 -0.581 0.000 2.416 238 N HA 0.711 5.453 4.740 0.003 0.000 0.276 238 N C -1.617 173.328 175.510 -0.941 0.000 1.261 238 N CA -0.892 51.669 53.050 -0.816 0.000 0.790 238 N CB 2.025 39.639 38.487 -1.455 0.000 1.554 238 N HN 0.768 9.148 8.380 -0.000 0.000 0.481 239 M N -1.501 117.758 119.600 -0.567 0.000 2.578 239 M HA 0.587 5.069 4.480 0.003 0.000 0.276 239 M C -1.933 174.220 176.300 -0.245 0.000 1.245 239 M CA -0.875 54.229 55.300 -0.327 0.000 0.871 239 M CB 2.068 34.669 32.600 0.000 0.000 1.722 239 M HN 0.184 8.474 8.290 -0.000 0.000 0.473 240 D N 2.345 122.647 120.400 -0.164 0.000 2.350 240 D HA 0.529 5.170 4.640 0.003 0.000 0.249 240 D C -1.077 175.223 176.300 -0.001 0.000 1.119 240 D CA 0.223 54.174 54.000 -0.082 0.000 0.886 240 D CB 1.910 42.683 40.800 -0.045 0.000 1.195 240 D HN 0.694 9.064 8.370 -0.000 0.000 0.437 241 I N 1.102 121.700 120.570 0.047 0.000 2.447 241 I HA 0.208 4.379 4.170 0.003 0.000 0.287 241 I C -0.842 175.334 176.117 0.098 0.000 1.023 241 I CA -0.502 60.847 61.300 0.082 0.000 1.083 241 I CB 1.345 39.425 38.000 0.132 0.000 1.245 241 I HN 0.170 8.380 8.210 -0.000 0.000 0.434 242 D N 4.203 124.645 120.400 0.069 0.000 2.582 242 D HA 0.224 4.865 4.640 0.003 0.000 0.246 242 D C -0.594 175.738 176.300 0.054 0.000 1.334 242 D CA -0.171 53.866 54.000 0.062 0.000 0.805 242 D CB 0.118 40.944 40.800 0.043 0.000 1.087 242 D HN 0.323 8.693 8.370 -0.000 0.000 0.499 243 N N 0.871 119.602 118.700 0.053 0.000 2.503 243 N HA 0.032 4.773 4.740 0.003 0.000 0.287 243 N C 0.188 175.714 175.510 0.027 0.000 1.096 243 N CA -0.239 52.832 53.050 0.035 0.000 0.936 243 N CB 2.201 40.697 38.487 0.015 0.000 1.570 243 N HN 0.036 8.416 8.380 -0.000 0.000 0.504 244 E N 1.609 121.833 120.200 0.039 0.000 2.160 244 E HA -0.179 4.173 4.350 0.003 0.000 0.195 244 E C 1.042 177.622 176.600 -0.034 0.000 0.991 244 E CA 1.826 58.245 56.400 0.030 0.000 0.810 244 E CB 0.204 29.936 29.700 0.054 0.000 0.742 244 E HN 0.616 8.976 8.360 -0.000 0.000 0.466 245 S N -0.217 115.465 115.700 -0.030 0.000 2.507 245 S HA -0.053 4.418 4.470 0.003 0.000 0.235 245 S C 1.533 176.088 174.600 -0.076 0.000 0.988 245 S CA 0.560 58.729 58.200 -0.051 0.000 0.944 245 S CB -0.023 63.154 63.200 -0.037 0.000 0.762 245 S HN 0.194 8.504 8.310 -0.000 0.000 0.526 246 K N 0.100 120.454 120.400 -0.076 0.000 2.393 246 K HA 0.251 4.572 4.320 0.003 0.000 0.193 246 K C 1.525 178.043 176.600 -0.137 0.000 1.026 246 K CA 0.013 56.249 56.287 -0.087 0.000 1.064 246 K CB -0.180 32.293 32.500 -0.045 0.000 0.833 246 K HN 0.253 8.503 8.250 -0.000 0.000 0.521 247 L N 2.268 123.370 121.223 -0.201 0.000 2.043 247 L HA -0.133 4.209 4.340 0.003 0.000 0.212 247 L C -1.197 175.512 176.870 -0.267 0.000 1.075 247 L CA 1.947 56.601 54.840 -0.311 0.000 0.752 247 L CB -0.850 40.928 42.059 -0.469 0.000 0.891 247 L HN 0.033 8.263 8.230 -0.000 0.000 0.432 248 P HA -0.128 4.292 4.420 -0.000 0.000 0.225 248 P C 1.929 179.052 177.300 -0.294 0.000 1.148 248 P CA 1.074 64.019 63.100 -0.260 0.000 0.779 248 P CB -0.065 31.507 31.700 -0.213 0.000 0.780 249 L N -0.054 121.022 121.223 -0.246 0.000 2.265 249 L HA -0.160 4.181 4.340 0.003 0.000 0.215 249 L C 2.715 179.337 176.870 -0.413 0.000 1.117 249 L CA 1.064 55.739 54.840 -0.275 0.000 0.782 249 L CB -0.803 41.159 42.059 -0.162 0.000 0.914 249 L HN 0.080 8.310 8.230 -0.000 0.000 0.441 250 R N 0.973 121.267 120.500 -0.343 0.000 2.159 250 R HA -0.191 4.151 4.340 0.003 0.000 0.237 250 R C 1.641 177.543 176.300 -0.663 0.000 1.131 250 R CA 1.495 57.350 56.100 -0.409 0.000 0.982 250 R CB -0.226 30.019 30.300 -0.092 0.000 0.868 250 R HN 0.385 8.655 8.270 -0.000 0.000 0.453 251 K N 0.585 120.563 120.400 -0.702 0.000 2.244 251 K HA 0.046 4.368 4.320 0.003 0.000 0.200 251 K C 2.325 178.555 176.600 -0.617 0.000 1.052 251 K CA 0.948 56.687 56.287 -0.914 0.000 0.980 251 K CB 0.290 32.123 32.500 -1.110 0.000 0.838 251 K HN 0.291 8.541 8.250 -0.000 0.000 0.481 252 S N 1.311 116.700 115.700 -0.518 0.000 2.387 252 S HA -0.058 4.413 4.470 0.003 0.000 0.226 252 S C 2.078 176.402 174.600 -0.459 0.000 1.026 252 S CA 0.634 58.587 58.200 -0.412 0.000 0.972 252 S CB -0.447 62.559 63.200 -0.322 0.000 0.814 252 S HN 0.127 8.437 8.310 -0.000 0.000 0.477 253 I N 2.608 122.828 120.570 -0.583 0.000 2.142 253 I HA -0.053 4.119 4.170 0.003 0.000 0.240 253 I C -0.743 174.912 176.117 -0.769 0.000 1.078 253 I CA 1.013 61.916 61.300 -0.661 0.000 1.343 253 I CB -1.274 36.280 38.000 -0.743 0.000 1.046 253 I HN 0.250 8.460 8.210 -0.000 0.000 0.405 254 P HA -0.144 4.276 4.420 -0.000 0.000 0.215 254 P C 1.632 178.514 177.300 -0.697 0.000 1.153 254 P CA 1.672 64.107 63.100 -1.108 0.000 0.853 254 P CB -0.193 31.091 31.700 -0.693 0.000 0.788 255 T N -0.242 114.060 114.554 -0.420 0.000 2.720 255 T HA -0.155 4.196 4.350 0.003 0.000 0.268 255 T C 1.669 176.185 174.700 -0.306 0.000 1.037 255 T CA 1.395 63.324 62.100 -0.285 0.000 1.144 255 T CB -0.512 68.226 68.868 -0.216 0.000 0.864 255 T HN 0.258 8.498 8.240 -0.000 0.000 0.444 256 K N 0.443 120.635 120.400 -0.347 0.000 2.057 256 K HA 0.049 4.370 4.320 0.003 0.000 0.206 256 K C 2.264 178.667 176.600 -0.328 0.000 1.050 256 K CA 1.064 57.175 56.287 -0.294 0.000 0.935 256 K CB -0.304 32.026 32.500 -0.283 0.000 0.715 256 K HN 0.333 8.583 8.250 -0.000 0.000 0.439 257 I N 0.948 121.228 120.570 -0.482 0.000 2.179 257 I HA -0.286 3.886 4.170 0.003 0.000 0.242 257 I C 2.459 178.333 176.117 -0.405 0.000 1.088 257 I CA 1.284 62.238 61.300 -0.577 0.000 1.357 257 I CB -0.153 37.296 38.000 -0.919 0.000 1.051 257 I HN 0.184 8.394 8.210 -0.000 0.000 0.409 258 M N -0.145 119.250 119.600 -0.342 0.000 2.159 258 M HA -0.243 4.239 4.480 0.003 0.000 0.263 258 M C 2.261 178.457 176.300 -0.173 0.000 1.063 258 M CA 1.697 56.867 55.300 -0.216 0.000 1.110 258 M CB -0.440 32.036 32.600 -0.207 0.000 1.374 258 M HN 0.215 8.505 8.290 -0.000 0.000 0.411 259 E N 0.402 120.497 120.200 -0.175 0.000 2.051 259 E HA -0.200 4.151 4.350 0.003 0.000 0.192 259 E C 1.964 178.508 176.600 -0.094 0.000 0.991 259 E CA 1.856 58.180 56.400 -0.128 0.000 0.799 259 E CB 0.067 29.687 29.700 -0.134 0.000 0.748 259 E HN 0.510 8.870 8.360 -0.000 0.000 0.449 260 S N 0.171 115.811 115.700 -0.101 0.000 2.419 260 S HA -0.116 4.356 4.470 0.003 0.000 0.233 260 S C 1.548 176.155 174.600 0.012 0.000 1.016 260 S CA 0.867 59.044 58.200 -0.037 0.000 0.974 260 S CB -0.083 63.101 63.200 -0.026 0.000 0.786 260 S HN 0.218 8.528 8.310 -0.000 0.000 0.492 261 E N 0.860 121.055 120.200 -0.008 0.000 2.502 261 E HA 0.183 4.535 4.350 0.003 0.000 0.194 261 E C 1.444 178.044 176.600 0.000 0.000 1.062 261 E CA 0.578 57.001 56.400 0.038 0.000 0.867 261 E CB -0.136 29.584 29.700 0.035 0.000 0.888 261 E HN 0.753 9.113 8.360 -0.000 0.000 0.510 262 G N 1.344 110.129 108.800 -0.026 0.000 2.157 262 G HA2 -0.303 3.658 3.960 0.003 0.000 0.248 262 G HA3 -0.303 3.658 3.960 0.003 0.000 0.248 262 G C 1.053 175.931 174.900 -0.036 0.000 0.979 262 G CA 0.468 45.557 45.100 -0.018 0.000 0.650 262 G HN 0.353 8.643 8.290 -0.000 0.000 0.529 263 I N 0.212 120.722 120.570 -0.100 0.000 2.353 263 I HA 0.145 4.317 4.170 0.003 0.000 0.248 263 I C 1.553 177.689 176.117 0.031 0.000 1.119 263 I CA 0.706 61.937 61.300 -0.114 0.000 1.417 263 I CB -0.036 37.764 38.000 -0.334 0.000 1.078 263 I HN 0.189 8.399 8.210 -0.000 0.000 0.421 264 I N 1.329 121.880 120.570 -0.033 0.000 2.396 264 I HA 0.189 4.361 4.170 0.003 0.000 0.289 264 I C 1.199 177.246 176.117 -0.115 0.000 1.056 264 I CA 0.146 61.394 61.300 -0.086 0.000 1.365 264 I CB 0.216 38.148 38.000 -0.113 0.000 1.407 264 I HN 0.328 8.538 8.210 -0.000 0.000 0.509 265 G N 4.784 113.472 108.800 -0.186 0.000 2.581 265 G HA2 -0.173 3.788 3.960 0.003 0.000 0.289 265 G HA3 -0.173 3.788 3.960 0.003 0.000 0.289 265 G C 0.213 175.086 174.900 -0.045 0.000 1.303 265 G CA -0.177 44.849 45.100 -0.123 0.000 0.931 265 G HN 0.968 9.258 8.290 -0.000 0.000 0.555 266 G N 0.000 108.779 108.800 -0.036 0.000 5.446 266 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 266 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 266 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 266 G HN 0.000 8.290 8.290 -0.000 0.000 0.925