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 2jhj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MWRIELKHAV NWELKMKFFV LPELPTPDVV ESGVWRRAIV LDGRAVAVMA DATA SEQUENCE YPESERTIVV EGNFENREWE AVRRKLVEYL GLQNPEELYR FMDGDEKLRM DATA SEQUENCE LKNRFYGFGR AGLMSMSVFE GIAKAIIQQQ ISFVVAEKLA AKIVGRFGDE DATA SEQUENCE VEWNGLKFYG FPTQEAILKA GVEGLRECGL SRRKAELIVE IAKEENLEEL DATA SEQUENCE KEWGEEEAYE YLTSFKGIGR WTAELVLSMA LGKNVFPADD LGVRRAVSRL DATA SEQUENCE YFNGEIQSAE KVREIARERF GRFARDILFY LFLYDRFFSX XXXXV 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 175.672 176.300 -1.047 0.000 1.140 1 M CA 0.000 54.851 55.300 -0.749 0.000 0.988 1 M CB 0.000 32.331 32.600 -0.449 0.000 1.302 2 W N 2.177 123.220 121.300 -0.428 0.000 3.031 2 W HA 0.604 5.263 4.660 -0.002 0.000 0.337 2 W C -0.523 175.746 176.519 -0.417 0.000 1.187 2 W CA -0.661 56.262 57.345 -0.704 0.000 1.166 2 W CB 2.189 30.590 29.460 -1.764 0.000 1.437 2 W HN 0.508 8.688 8.180 -0.000 0.000 0.551 3 R N 1.462 121.935 120.500 -0.044 0.000 2.562 3 R HA 0.599 4.937 4.340 -0.002 0.000 0.298 3 R C -0.529 175.932 176.300 0.268 0.000 0.961 3 R CA -0.897 55.248 56.100 0.074 0.000 0.881 3 R CB 2.232 32.550 30.300 0.030 0.000 1.159 3 R HN 0.326 8.596 8.270 -0.000 0.000 0.450 4 I N 2.880 123.596 120.570 0.244 0.000 2.328 4 I HA 0.201 4.369 4.170 -0.002 0.000 0.287 4 I C -0.049 176.141 176.117 0.123 0.000 1.012 4 I CA -0.584 60.859 61.300 0.237 0.000 1.195 4 I CB 1.355 39.479 38.000 0.206 0.000 1.350 4 I HN 0.320 8.530 8.210 -0.000 0.000 0.464 5 E N 7.581 127.849 120.200 0.113 0.000 2.146 5 E HA 0.475 4.823 4.350 -0.002 0.000 0.282 5 E C -0.650 175.987 176.600 0.062 0.000 0.989 5 E CA -0.492 55.953 56.400 0.076 0.000 0.799 5 E CB 2.200 31.945 29.700 0.074 0.000 1.088 5 E HN 0.491 8.851 8.360 -0.000 0.000 0.397 6 L N 2.324 123.581 121.223 0.057 0.000 2.334 6 L HA 0.336 4.675 4.340 -0.002 0.000 0.275 6 L C 1.634 178.543 176.870 0.066 0.000 1.036 6 L CA -0.589 54.286 54.840 0.058 0.000 0.807 6 L CB 1.366 43.465 42.059 0.066 0.000 1.231 6 L HN 0.449 8.679 8.230 -0.000 0.000 0.438 7 K N 0.644 121.087 120.400 0.072 0.000 2.217 7 K HA -0.044 4.274 4.320 -0.002 0.000 0.202 7 K C 0.509 177.176 176.600 0.112 0.000 1.051 7 K CA 0.968 57.302 56.287 0.078 0.000 0.952 7 K CB 0.236 32.779 32.500 0.071 0.000 0.736 7 K HN 0.511 8.761 8.250 -0.000 0.000 0.453 8 H N -0.446 118.643 119.070 0.032 0.000 2.637 8 H HA 0.416 4.971 4.556 -0.003 0.000 0.363 8 H C -1.284 174.078 175.328 0.056 0.000 1.131 8 H CA -0.563 55.517 56.048 0.053 0.000 1.183 8 H CB 1.877 31.664 29.762 0.042 0.000 1.637 8 H HN 0.206 8.486 8.280 -0.000 0.000 0.531 9 A N 3.160 126.091 122.820 0.185 0.000 2.520 9 A HA 0.320 4.639 4.320 -0.002 0.000 0.235 9 A C -0.205 177.571 177.584 0.321 0.000 1.065 9 A CA 0.063 52.233 52.037 0.222 0.000 0.764 9 A CB 0.118 19.210 19.000 0.153 0.000 1.002 9 A HN 0.369 8.519 8.150 -0.000 0.000 0.502 10 V N 3.216 123.241 119.914 0.185 0.000 2.656 10 V HA 0.395 4.513 4.120 -0.002 0.000 0.307 10 V C -0.417 175.772 176.094 0.159 0.000 1.051 10 V CA -0.997 61.380 62.300 0.128 0.000 0.893 10 V CB 1.903 33.780 31.823 0.090 0.000 0.999 10 V HN 0.971 9.161 8.190 -0.000 0.000 0.426 11 N N 6.241 125.019 118.700 0.131 0.000 2.482 11 N HA 0.041 4.780 4.740 -0.002 0.000 0.242 11 N C 0.803 176.440 175.510 0.212 0.000 1.100 11 N CA -0.222 52.935 53.050 0.180 0.000 0.946 11 N CB 0.447 39.032 38.487 0.163 0.000 1.227 11 N HN 1.013 9.393 8.380 -0.000 0.000 0.508 12 W N 4.027 125.368 121.300 0.069 0.000 2.342 12 W HA -0.206 4.453 4.660 -0.002 0.000 0.297 12 W C 0.582 177.179 176.519 0.129 0.000 1.213 12 W CA 1.245 58.640 57.345 0.083 0.000 1.251 12 W CB 0.439 29.969 29.460 0.116 0.000 1.136 12 W HN 0.596 8.776 8.180 -0.000 0.000 0.526 13 E N 0.709 121.055 120.200 0.243 0.000 2.110 13 E HA -0.217 4.131 4.350 -0.002 0.000 0.193 13 E C 2.169 178.827 176.600 0.096 0.000 0.988 13 E CA 1.689 58.180 56.400 0.151 0.000 0.804 13 E CB -0.923 28.887 29.700 0.184 0.000 0.745 13 E HN 0.311 8.671 8.360 -0.000 0.000 0.458 14 L N 0.427 121.732 121.223 0.137 0.000 2.109 14 L HA -0.109 4.230 4.340 -0.002 0.000 0.207 14 L C 2.151 179.168 176.870 0.245 0.000 1.086 14 L CA 0.762 55.739 54.840 0.228 0.000 0.760 14 L CB -0.277 41.984 42.059 0.337 0.000 0.910 14 L HN 0.040 8.270 8.230 -0.000 0.000 0.437 15 K N -0.088 120.292 120.400 -0.034 0.000 2.044 15 K HA -0.162 4.157 4.320 -0.002 0.000 0.210 15 K C 2.018 178.499 176.600 -0.199 0.000 1.049 15 K CA 1.432 57.537 56.287 -0.304 0.000 0.927 15 K CB -0.352 31.790 32.500 -0.597 0.000 0.713 15 K HN 0.233 8.483 8.250 -0.000 0.000 0.443 16 M N 0.753 120.221 119.600 -0.221 0.000 2.296 16 M HA -0.085 4.394 4.480 -0.002 0.000 0.265 16 M C 1.954 178.392 176.300 0.231 0.000 1.064 16 M CA 1.143 56.480 55.300 0.061 0.000 1.109 16 M CB -0.718 31.889 32.600 0.011 0.000 1.396 16 M HN 0.104 8.394 8.290 -0.000 0.000 0.430 17 K N -0.321 120.183 120.400 0.174 0.000 2.362 17 K HA -0.148 4.170 4.320 -0.002 0.000 0.200 17 K C 1.812 178.562 176.600 0.249 0.000 1.046 17 K CA 0.679 57.097 56.287 0.218 0.000 0.952 17 K CB -0.148 32.440 32.500 0.147 0.000 0.753 17 K HN 0.113 8.363 8.250 -0.000 0.000 0.466 18 F N 0.933 120.882 119.950 -0.001 0.000 2.216 18 F HA -0.060 4.465 4.527 -0.003 0.000 0.300 18 F C 0.125 175.805 175.800 -0.200 0.000 1.085 18 F CA 0.812 58.713 58.000 -0.165 0.000 1.326 18 F CB 0.019 38.885 39.000 -0.224 0.000 1.027 18 F HN -0.165 8.135 8.300 -0.000 0.000 0.497 19 F N -0.484 119.574 119.950 0.180 0.000 2.484 19 F HA 0.134 4.659 4.527 -0.002 0.000 0.360 19 F C 1.199 177.043 175.800 0.073 0.000 1.101 19 F CA -0.241 57.842 58.000 0.138 0.000 1.251 19 F CB 0.218 39.338 39.000 0.200 0.000 1.132 19 F HN -0.369 7.931 8.300 -0.000 0.000 0.570 20 V N 3.028 123.098 119.914 0.260 0.000 2.446 20 V HA -0.054 4.064 4.120 -0.002 0.000 0.244 20 V C 0.846 177.033 176.094 0.154 0.000 1.039 20 V CA 0.984 63.381 62.300 0.162 0.000 1.045 20 V CB -0.250 31.710 31.823 0.229 0.000 0.681 20 V HN 0.501 8.691 8.190 -0.000 0.000 0.459 21 L N 1.875 123.192 121.223 0.157 0.000 2.495 21 L HA 0.300 4.639 4.340 -0.002 0.000 0.248 21 L C -1.629 175.291 176.870 0.083 0.000 1.229 21 L CA -1.093 53.800 54.840 0.089 0.000 0.942 21 L CB 1.640 43.717 42.059 0.030 0.000 1.242 21 L HN 0.141 8.371 8.230 -0.000 0.000 0.484 22 P HA -0.171 4.249 4.420 -0.000 0.000 0.219 22 P C 1.023 178.314 177.300 -0.015 0.000 1.150 22 P CA 1.226 64.363 63.100 0.062 0.000 0.814 22 P CB 0.335 32.123 31.700 0.147 0.000 0.787 23 E N 0.036 120.238 120.200 0.002 0.000 2.158 23 E HA -0.066 4.283 4.350 -0.002 0.000 0.191 23 E C 0.912 177.470 176.600 -0.071 0.000 0.982 23 E CA 0.160 56.546 56.400 -0.025 0.000 0.823 23 E CB -1.067 28.631 29.700 -0.004 0.000 0.766 23 E HN 0.226 8.586 8.360 -0.000 0.000 0.468 24 L N 3.001 124.180 121.223 -0.074 0.000 2.331 24 L HA 0.275 4.613 4.340 -0.002 0.000 0.278 24 L C -2.526 174.245 176.870 -0.165 0.000 1.106 24 L CA -2.209 52.559 54.840 -0.120 0.000 0.824 24 L CB 0.970 42.976 42.059 -0.088 0.000 1.142 24 L HN -0.230 8.000 8.230 -0.000 0.000 0.443 25 P HA 0.175 4.595 4.420 -0.000 0.000 0.273 25 P C -0.284 176.914 177.300 -0.171 0.000 1.319 25 P CA -0.064 62.847 63.100 -0.316 0.000 0.885 25 P CB 0.135 31.346 31.700 -0.815 0.000 1.015 26 T N 0.201 114.715 114.554 -0.065 0.000 3.174 26 T HA 0.212 4.560 4.350 -0.002 0.000 0.269 26 T C -1.496 173.287 174.700 0.138 0.000 1.017 26 T CA -0.729 61.384 62.100 0.022 0.000 0.899 26 T CB -0.391 68.494 68.868 0.028 0.000 1.077 26 T HN 0.197 8.437 8.240 -0.000 0.000 0.552 27 P HA 0.194 4.614 4.420 -0.000 0.000 0.245 27 P C -0.438 176.871 177.300 0.016 0.000 1.203 27 P CA 0.131 63.292 63.100 0.101 0.000 0.792 27 P CB -0.126 31.689 31.700 0.191 0.000 0.997 28 D N 0.302 120.693 120.400 -0.014 0.000 2.455 28 D HA 0.168 4.807 4.640 -0.002 0.000 0.241 28 D C -0.008 176.136 176.300 -0.260 0.000 1.138 28 D CA 0.457 54.337 54.000 -0.201 0.000 0.877 28 D CB 0.633 41.308 40.800 -0.209 0.000 1.187 28 D HN -0.123 8.247 8.370 -0.000 0.000 0.451 29 V N 2.611 122.334 119.914 -0.318 0.000 2.540 29 V HA 0.393 4.512 4.120 -0.002 0.000 0.302 29 V C -0.268 175.707 176.094 -0.199 0.000 1.035 29 V CA -0.826 61.345 62.300 -0.215 0.000 0.873 29 V CB 2.021 33.767 31.823 -0.130 0.000 0.992 29 V HN 0.285 8.475 8.190 -0.000 0.000 0.428 30 V N 4.521 124.379 119.914 -0.092 0.000 2.409 30 V HA 0.558 4.676 4.120 -0.002 0.000 0.291 30 V C -0.375 175.763 176.094 0.073 0.000 1.020 30 V CA -0.538 61.797 62.300 0.059 0.000 0.848 30 V CB 1.596 33.501 31.823 0.137 0.000 0.990 30 V HN 0.953 9.143 8.190 -0.000 0.000 0.430 31 E N 2.386 122.643 120.200 0.095 0.000 2.263 31 E HA 0.451 4.799 4.350 -0.002 0.000 0.268 31 E C -0.229 176.434 176.600 0.105 0.000 0.884 31 E CA -0.669 55.775 56.400 0.073 0.000 0.766 31 E CB 1.866 31.581 29.700 0.024 0.000 1.196 31 E HN 0.678 9.038 8.360 -0.000 0.000 0.416 32 S N 1.816 117.578 115.700 0.102 0.000 3.549 32 S HA -0.240 4.229 4.470 -0.002 0.000 0.366 32 S C 1.043 175.744 174.600 0.168 0.000 1.012 32 S CA 0.752 59.015 58.200 0.106 0.000 1.141 32 S CB -1.474 61.759 63.200 0.055 0.000 0.910 32 S HN 1.192 9.502 8.310 -0.000 0.000 0.471 33 G N -1.729 107.226 108.800 0.259 0.000 2.155 33 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.257 33 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.257 33 G C 0.042 175.300 174.900 0.597 0.000 0.983 33 G CA 0.078 45.446 45.100 0.447 0.000 0.676 33 G HN 1.311 9.601 8.290 -0.000 0.000 0.528 34 V N 0.273 120.442 119.914 0.425 0.000 2.347 34 V HA 0.593 4.711 4.120 -0.002 0.000 0.280 34 V C 0.139 176.542 176.094 0.515 0.000 1.021 34 V CA -0.827 61.757 62.300 0.474 0.000 0.847 34 V CB 1.332 33.299 31.823 0.241 0.000 0.990 34 V HN 0.390 8.580 8.190 -0.000 0.000 0.444 35 W N 7.829 129.447 121.300 0.530 0.000 2.365 35 W HA 0.688 5.347 4.660 -0.002 0.000 0.316 35 W C 0.202 176.928 176.519 0.346 0.000 1.164 35 W CA -0.582 57.000 57.345 0.395 0.000 1.204 35 W CB 0.705 30.483 29.460 0.530 0.000 1.213 35 W HN 0.650 8.830 8.180 -0.000 0.000 0.539 36 R N 5.816 125.950 120.500 -0.610 0.000 2.643 36 R HA 0.770 5.109 4.340 -0.002 0.000 0.269 36 R C -1.386 174.428 176.300 -0.810 0.000 1.037 36 R CA -1.140 54.583 56.100 -0.629 0.000 0.894 36 R CB 1.906 32.075 30.300 -0.217 0.000 1.238 36 R HN 0.800 9.070 8.270 -0.000 0.000 0.459 37 R N 1.105 121.309 120.500 -0.494 0.000 2.733 37 R HA 0.711 5.049 4.340 -0.002 0.000 0.272 37 R C -1.732 174.636 176.300 0.114 0.000 1.029 37 R CA -0.873 55.135 56.100 -0.154 0.000 0.888 37 R CB 1.453 31.606 30.300 -0.244 0.000 1.251 37 R HN 0.646 8.916 8.270 -0.000 0.000 0.464 38 A N 1.770 124.668 122.820 0.130 0.000 2.310 38 A HA 0.685 5.003 4.320 -0.002 0.000 0.299 38 A C 0.144 177.759 177.584 0.051 0.000 1.147 38 A CA -0.918 51.166 52.037 0.078 0.000 0.818 38 A CB 0.358 19.402 19.000 0.073 0.000 1.096 38 A HN 0.686 8.836 8.150 -0.000 0.000 0.495 39 I N -0.531 120.050 120.570 0.018 0.000 2.730 39 I HA 0.672 4.841 4.170 -0.002 0.000 0.298 39 I C -0.979 175.138 176.117 -0.001 0.000 1.089 39 I CA -1.154 60.154 61.300 0.014 0.000 1.041 39 I CB 2.115 40.109 38.000 -0.010 0.000 1.235 39 I HN 0.219 8.429 8.210 -0.000 0.000 0.423 40 V N 5.753 125.676 119.914 0.015 0.000 2.408 40 V HA 0.321 4.440 4.120 -0.002 0.000 0.267 40 V C -0.210 175.872 176.094 -0.020 0.000 1.047 40 V CA -0.224 62.080 62.300 0.007 0.000 0.937 40 V CB 0.909 32.750 31.823 0.031 0.000 0.999 40 V HN 0.509 8.699 8.190 -0.000 0.000 0.472 41 L N 4.688 125.891 121.223 -0.033 0.000 2.372 41 L HA 0.569 4.907 4.340 -0.002 0.000 0.274 41 L C 0.068 176.917 176.870 -0.035 0.000 0.988 41 L CA 0.161 54.969 54.840 -0.053 0.000 0.833 41 L CB 1.300 43.308 42.059 -0.086 0.000 1.236 41 L HN 0.715 8.945 8.230 -0.000 0.000 0.410 42 D N 4.872 125.252 120.400 -0.034 0.000 2.735 42 D HA -0.217 4.421 4.640 -0.002 0.000 0.235 42 D C 1.102 177.393 176.300 -0.015 0.000 1.175 42 D CA 1.338 55.325 54.000 -0.023 0.000 0.683 42 D CB -0.545 40.243 40.800 -0.020 0.000 1.008 42 D HN 1.181 9.551 8.370 -0.000 0.000 0.416 43 G N -0.028 108.764 108.800 -0.013 0.000 2.205 43 G HA2 -0.375 3.583 3.960 -0.002 0.000 0.261 43 G HA3 -0.375 3.583 3.960 -0.002 0.000 0.261 43 G C 0.329 175.226 174.900 -0.006 0.000 0.980 43 G CA 1.081 46.175 45.100 -0.009 0.000 0.632 43 G HN 0.739 9.029 8.290 -0.000 0.000 0.533 44 R N -0.452 120.043 120.500 -0.007 0.000 2.867 44 R HA 0.889 5.228 4.340 -0.002 0.000 0.268 44 R C -0.205 176.090 176.300 -0.010 0.000 1.014 44 R CA -0.604 55.492 56.100 -0.006 0.000 0.946 44 R CB 0.613 30.909 30.300 -0.007 0.000 1.208 44 R HN 1.150 9.420 8.270 -0.000 0.000 0.477 45 A N 1.100 123.915 122.820 -0.009 0.000 2.328 45 A HA 0.587 4.906 4.320 -0.002 0.000 0.284 45 A C 0.001 177.557 177.584 -0.047 0.000 1.160 45 A CA -0.281 51.747 52.037 -0.015 0.000 0.818 45 A CB 0.240 19.240 19.000 0.001 0.000 1.087 45 A HN 0.919 9.069 8.150 -0.000 0.000 0.504 46 V N -0.040 119.835 119.914 -0.064 0.000 2.769 46 V HA 0.888 5.007 4.120 -0.002 0.000 0.312 46 V C 0.281 176.255 176.094 -0.201 0.000 1.061 46 V CA -0.584 61.643 62.300 -0.121 0.000 0.931 46 V CB 1.241 33.045 31.823 -0.032 0.000 1.010 46 V HN 1.501 9.691 8.190 -0.000 0.000 0.433 47 A N 3.347 125.891 122.820 -0.461 0.000 2.409 47 A HA 0.733 5.052 4.320 -0.002 0.000 0.262 47 A C -0.258 177.040 177.584 -0.477 0.000 1.113 47 A CA -0.301 51.210 52.037 -0.876 0.000 0.790 47 A CB 0.348 18.309 19.000 -1.731 0.000 1.046 47 A HN 1.422 9.572 8.150 -0.000 0.000 0.496 48 V N 4.241 124.097 119.914 -0.096 0.000 2.760 48 V HA 0.658 4.777 4.120 -0.002 0.000 0.309 48 V C -0.097 176.286 176.094 0.481 0.000 1.077 48 V CA -0.420 62.041 62.300 0.268 0.000 0.910 48 V CB 1.600 33.622 31.823 0.333 0.000 1.008 48 V HN 1.090 9.280 8.190 -0.000 0.000 0.424 49 M N 3.124 123.092 119.600 0.612 0.000 2.593 49 M HA 1.044 5.523 4.480 -0.002 0.000 0.290 49 M C -0.985 175.734 176.300 0.698 0.000 1.244 49 M CA -0.759 54.948 55.300 0.678 0.000 0.857 49 M CB 2.626 35.645 32.600 0.698 0.000 1.738 49 M HN 0.688 8.978 8.290 -0.000 0.000 0.461 50 A N 1.849 125.143 122.820 0.790 0.000 2.520 50 A HA 0.934 5.252 4.320 -0.002 0.000 0.298 50 A C -1.941 175.888 177.584 0.409 0.000 1.051 50 A CA -0.602 51.734 52.037 0.498 0.000 0.690 50 A CB 1.435 20.765 19.000 0.550 0.000 1.281 50 A HN 1.251 9.401 8.150 -0.000 0.000 0.402 51 Y N -0.617 119.615 120.300 -0.113 0.000 2.604 51 Y HA 0.769 5.317 4.550 -0.002 0.000 0.331 51 Y C -3.308 172.224 175.900 -0.614 0.000 1.158 51 Y CA -2.609 55.213 58.100 -0.462 0.000 1.056 51 Y CB 1.153 39.571 38.460 -0.069 0.000 1.330 51 Y HN 0.451 8.731 8.280 -0.000 0.000 0.457 52 P HA 0.179 4.599 4.420 -0.000 0.000 0.279 52 P C -0.409 176.857 177.300 -0.057 0.000 1.239 52 P CA -0.129 62.744 63.100 -0.379 0.000 0.789 52 P CB 1.968 33.466 31.700 -0.336 0.000 0.933 53 E N 1.482 121.651 120.200 -0.051 0.000 2.460 53 E HA 0.139 4.488 4.350 -0.002 0.000 0.200 53 E C 0.237 176.851 176.600 0.023 0.000 1.011 53 E CA -0.192 56.228 56.400 0.034 0.000 0.912 53 E CB 0.230 29.947 29.700 0.029 0.000 0.953 53 E HN 0.470 8.830 8.360 -0.000 0.000 0.494 54 S N -0.253 115.450 115.700 0.005 0.000 2.703 54 S HA 0.055 4.523 4.470 -0.002 0.000 0.273 54 S C 0.660 175.281 174.600 0.034 0.000 1.178 54 S CA -0.317 57.898 58.200 0.026 0.000 0.838 54 S CB 0.850 64.066 63.200 0.026 0.000 1.178 54 S HN 0.215 8.525 8.310 -0.000 0.000 0.494 55 E N 0.539 120.772 120.200 0.056 0.000 2.204 55 E HA -0.039 4.310 4.350 -0.002 0.000 0.194 55 E C 1.279 177.925 176.600 0.078 0.000 0.989 55 E CA 0.632 57.081 56.400 0.080 0.000 0.824 55 E CB -0.236 29.517 29.700 0.088 0.000 0.756 55 E HN 0.581 8.941 8.360 -0.000 0.000 0.477 56 R N 0.206 120.739 120.500 0.056 0.000 2.543 56 R HA 0.222 4.561 4.340 -0.002 0.000 0.323 56 R C -0.566 175.757 176.300 0.039 0.000 1.002 56 R CA 0.045 56.178 56.100 0.056 0.000 1.106 56 R CB 1.288 31.619 30.300 0.052 0.000 1.280 56 R HN -0.034 8.236 8.270 -0.000 0.000 0.549 57 T N 1.557 116.120 114.554 0.016 0.000 2.949 57 T HA 0.386 4.735 4.350 -0.002 0.000 0.300 57 T C -0.598 174.063 174.700 -0.065 0.000 0.988 57 T CA -0.551 61.546 62.100 -0.005 0.000 0.993 57 T CB 1.837 70.704 68.868 -0.001 0.000 0.984 57 T HN -0.076 8.164 8.240 -0.000 0.000 0.442 58 I N 3.621 124.150 120.570 -0.068 0.000 2.321 58 I HA 0.363 4.532 4.170 -0.002 0.000 0.291 58 I C 0.305 176.329 176.117 -0.153 0.000 0.998 58 I CA -0.932 60.266 61.300 -0.171 0.000 1.227 58 I CB 1.137 39.066 38.000 -0.119 0.000 1.368 58 I HN 0.325 8.535 8.210 -0.000 0.000 0.466 59 V N 7.448 127.152 119.914 -0.351 0.000 2.546 59 V HA 0.354 4.473 4.120 -0.002 0.000 0.284 59 V C 0.282 176.184 176.094 -0.320 0.000 1.050 59 V CA -0.503 61.564 62.300 -0.388 0.000 0.981 59 V CB 2.021 33.462 31.823 -0.637 0.000 0.990 59 V HN 0.454 8.644 8.190 -0.000 0.000 0.474 60 V N 4.970 124.876 119.914 -0.014 0.000 2.495 60 V HA 0.542 4.660 4.120 -0.002 0.000 0.298 60 V C -0.233 176.072 176.094 0.351 0.000 1.031 60 V CA -0.653 61.803 62.300 0.261 0.000 0.871 60 V CB 1.837 33.972 31.823 0.520 0.000 0.988 60 V HN 0.950 9.140 8.190 -0.000 0.000 0.432 61 E N 1.995 122.457 120.200 0.437 0.000 2.343 61 E HA 0.834 5.183 4.350 -0.002 0.000 0.270 61 E C -0.191 176.643 176.600 0.390 0.000 0.895 61 E CA -0.706 55.962 56.400 0.447 0.000 0.767 61 E CB 2.850 32.854 29.700 0.507 0.000 1.248 61 E HN 0.943 9.303 8.360 -0.000 0.000 0.440 62 G N 1.043 109.835 108.800 -0.014 0.000 2.356 62 G HA2 0.107 4.065 3.960 -0.002 0.000 0.294 62 G HA3 0.107 4.065 3.960 -0.002 0.000 0.294 62 G C -0.874 173.313 174.900 -1.187 0.000 1.423 62 G CA -0.717 43.942 45.100 -0.735 0.000 0.806 62 G HN 0.521 8.811 8.290 -0.000 0.000 0.527 63 N N -0.756 117.176 118.700 -1.280 0.000 2.238 63 N HA 0.215 4.954 4.740 -0.002 0.000 0.222 63 N C 0.356 175.622 175.510 -0.406 0.000 1.133 63 N CA -0.485 52.022 53.050 -0.905 0.000 0.854 63 N CB -0.267 37.533 38.487 -1.144 0.000 1.041 63 N HN 0.499 8.879 8.380 -0.000 0.000 0.510 64 F N -0.043 119.774 119.950 -0.222 0.000 2.390 64 F HA 0.628 5.154 4.527 -0.002 0.000 0.307 64 F C 0.712 176.510 175.800 -0.003 0.000 1.227 64 F CA -1.371 56.552 58.000 -0.127 0.000 1.179 64 F CB 0.153 39.051 39.000 -0.169 0.000 1.280 64 F HN -0.256 8.044 8.300 -0.000 0.000 0.548 65 E N 0.643 120.985 120.200 0.236 0.000 2.343 65 E HA 0.174 4.523 4.350 -0.002 0.000 0.269 65 E C 0.814 177.593 176.600 0.297 0.000 1.047 65 E CA -0.219 56.298 56.400 0.195 0.000 0.874 65 E CB 0.485 30.270 29.700 0.142 0.000 1.033 65 E HN 0.559 8.919 8.360 -0.000 0.000 0.409 66 N N 2.428 121.321 118.700 0.321 0.000 2.091 66 N HA -0.245 4.494 4.740 -0.002 0.000 0.193 66 N C 1.475 177.163 175.510 0.296 0.000 1.021 66 N CA 1.540 54.833 53.050 0.406 0.000 0.862 66 N CB -0.221 38.458 38.487 0.320 0.000 1.018 66 N HN 0.474 8.854 8.380 -0.000 0.000 0.429 67 R N 1.151 121.769 120.500 0.197 0.000 2.237 67 R HA 0.013 4.351 4.340 -0.002 0.000 0.219 67 R C 1.012 177.372 176.300 0.100 0.000 1.080 67 R CA 1.118 57.299 56.100 0.135 0.000 0.995 67 R CB -0.237 30.118 30.300 0.091 0.000 0.875 67 R HN 0.317 8.587 8.270 -0.000 0.000 0.462 68 E N 0.207 120.483 120.200 0.126 0.000 2.474 68 E HA -0.072 4.276 4.350 -0.002 0.000 0.194 68 E C 1.081 177.631 176.600 -0.084 0.000 1.041 68 E CA -0.166 56.246 56.400 0.020 0.000 0.874 68 E CB -0.131 29.589 29.700 0.034 0.000 0.914 68 E HN 0.458 8.818 8.360 -0.000 0.000 0.498 69 W N 2.459 123.642 121.300 -0.194 0.000 2.318 69 W HA -0.303 4.356 4.660 -0.002 0.000 0.313 69 W C 1.541 177.882 176.519 -0.296 0.000 1.221 69 W CA 1.653 58.763 57.345 -0.390 0.000 1.266 69 W CB 0.139 29.314 29.460 -0.474 0.000 1.150 69 W HN 0.065 8.245 8.180 -0.000 0.000 0.496 70 E N 0.704 120.650 120.200 -0.423 0.000 2.097 70 E HA -0.208 4.140 4.350 -0.002 0.000 0.196 70 E C 2.292 178.592 176.600 -0.501 0.000 1.000 70 E CA 2.537 58.635 56.400 -0.503 0.000 0.804 70 E CB -0.772 28.794 29.700 -0.223 0.000 0.740 70 E HN 0.281 8.641 8.360 -0.000 0.000 0.454 71 A N -0.474 122.117 122.820 -0.382 0.000 1.929 71 A HA -0.067 4.252 4.320 -0.002 0.000 0.216 71 A C 2.461 179.801 177.584 -0.406 0.000 1.176 71 A CA 1.258 53.102 52.037 -0.322 0.000 0.628 71 A CB -0.437 18.424 19.000 -0.231 0.000 0.816 71 A HN 0.169 8.319 8.150 -0.000 0.000 0.444 72 V N 0.165 119.743 119.914 -0.560 0.000 2.358 72 V HA -0.232 3.887 4.120 -0.002 0.000 0.246 72 V C 2.619 178.361 176.094 -0.586 0.000 1.047 72 V CA 2.158 64.089 62.300 -0.615 0.000 1.035 72 V CB -0.804 30.412 31.823 -1.011 0.000 0.658 72 V HN 0.650 8.840 8.190 -0.000 0.000 0.452 73 R N 0.233 120.153 120.500 -0.967 0.000 2.096 73 R HA -0.240 4.099 4.340 -0.002 0.000 0.240 73 R C 2.538 178.551 176.300 -0.477 0.000 1.139 73 R CA 2.238 57.755 56.100 -0.971 0.000 0.952 73 R CB -0.345 29.011 30.300 -1.572 0.000 0.854 73 R HN 0.423 8.693 8.270 -0.000 0.000 0.436 74 R N 0.711 120.963 120.500 -0.414 0.000 2.096 74 R HA -0.169 4.170 4.340 -0.002 0.000 0.240 74 R C 2.119 178.309 176.300 -0.182 0.000 1.139 74 R CA 2.104 58.052 56.100 -0.253 0.000 0.952 74 R CB -0.056 30.110 30.300 -0.224 0.000 0.854 74 R HN 0.212 8.482 8.270 -0.000 0.000 0.436 75 K N 0.148 120.432 120.400 -0.193 0.000 2.026 75 K HA -0.120 4.199 4.320 -0.002 0.000 0.208 75 K C 2.169 178.736 176.600 -0.056 0.000 1.048 75 K CA 1.542 57.761 56.287 -0.114 0.000 0.929 75 K CB -0.128 32.291 32.500 -0.135 0.000 0.713 75 K HN 0.230 8.480 8.250 -0.000 0.000 0.439 76 L N 0.536 121.705 121.223 -0.090 0.000 2.056 76 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 76 L C 2.385 179.229 176.870 -0.043 0.000 1.078 76 L CA 0.762 55.581 54.840 -0.035 0.000 0.749 76 L CB -0.564 41.488 42.059 -0.011 0.000 0.901 76 L HN -0.016 8.214 8.230 -0.000 0.000 0.433 77 V N 0.303 120.167 119.914 -0.084 0.000 2.282 77 V HA -0.356 3.763 4.120 -0.002 0.000 0.249 77 V C 2.540 178.573 176.094 -0.102 0.000 1.057 77 V CA 2.323 64.569 62.300 -0.090 0.000 1.032 77 V CB -0.502 31.257 31.823 -0.106 0.000 0.645 77 V HN 0.541 8.731 8.190 -0.000 0.000 0.447 78 E N -0.969 119.182 120.200 -0.081 0.000 2.047 78 E HA -0.268 4.081 4.350 -0.002 0.000 0.191 78 E C 2.250 178.817 176.600 -0.056 0.000 0.987 78 E CA 1.634 57.989 56.400 -0.074 0.000 0.799 78 E CB -0.307 29.365 29.700 -0.046 0.000 0.752 78 E HN 0.677 9.037 8.360 -0.000 0.000 0.449 79 Y N 1.006 121.234 120.300 -0.120 0.000 2.145 79 Y HA -0.132 4.417 4.550 -0.002 0.000 0.286 79 Y C 1.865 177.666 175.900 -0.165 0.000 1.145 79 Y CA 1.659 59.702 58.100 -0.096 0.000 1.148 79 Y CB -0.040 38.393 38.460 -0.044 0.000 0.981 79 Y HN 0.040 8.320 8.280 -0.000 0.000 0.507 80 L N -0.486 120.603 121.223 -0.222 0.000 2.492 80 L HA 0.181 4.519 4.340 -0.002 0.000 0.223 80 L C 1.353 177.979 176.870 -0.406 0.000 1.132 80 L CA 0.574 55.198 54.840 -0.361 0.000 0.850 80 L CB -0.716 41.208 42.059 -0.224 0.000 0.966 80 L HN 0.427 8.657 8.230 -0.000 0.000 0.454 81 G N 0.996 109.590 108.800 -0.344 0.000 2.353 81 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.294 81 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.294 81 G C 0.384 175.093 174.900 -0.318 0.000 1.077 81 G CA -0.064 44.808 45.100 -0.381 0.000 1.098 81 G HN 0.309 8.599 8.290 -0.000 0.000 0.511 82 L N -0.735 120.364 121.223 -0.207 0.000 2.592 82 L HA 0.178 4.516 4.340 -0.002 0.000 0.227 82 L C 1.441 178.234 176.870 -0.129 0.000 1.127 82 L CA -0.029 54.727 54.840 -0.140 0.000 0.884 82 L CB -0.058 41.965 42.059 -0.061 0.000 1.065 82 L HN 0.382 8.612 8.230 -0.000 0.000 0.457 83 Q N 0.574 120.280 119.800 -0.157 0.000 2.392 83 Q HA 0.028 4.366 4.340 -0.002 0.000 0.262 83 Q C 0.411 176.318 176.000 -0.155 0.000 1.003 83 Q CA -0.136 55.589 55.803 -0.131 0.000 0.888 83 Q CB 0.095 28.757 28.738 -0.126 0.000 1.260 83 Q HN -0.021 8.249 8.270 -0.000 0.000 0.435 84 N N 3.437 122.072 118.700 -0.108 0.000 2.256 84 N HA -0.088 4.650 4.740 -0.002 0.000 0.277 84 N C -1.889 173.486 175.510 -0.226 0.000 1.362 84 N CA -0.589 52.391 53.050 -0.118 0.000 0.861 84 N CB 0.563 39.028 38.487 -0.037 0.000 1.136 84 N HN 0.418 8.798 8.380 -0.000 0.000 0.492 85 P HA 0.044 4.464 4.420 -0.000 0.000 0.262 85 P C 0.745 177.662 177.300 -0.638 0.000 1.304 85 P CA 0.157 62.830 63.100 -0.712 0.000 0.859 85 P CB 0.384 31.324 31.700 -1.266 0.000 1.310 86 E N 1.354 121.399 120.200 -0.259 0.000 2.058 86 E HA -0.226 4.123 4.350 -0.002 0.000 0.194 86 E C 1.911 178.498 176.600 -0.021 0.000 0.997 86 E CA 1.120 57.516 56.400 -0.006 0.000 0.801 86 E CB -0.103 29.665 29.700 0.112 0.000 0.746 86 E HN 0.226 8.586 8.360 -0.000 0.000 0.450 87 E N 0.118 120.289 120.200 -0.048 0.000 2.072 87 E HA -0.192 4.156 4.350 -0.002 0.000 0.191 87 E C 2.337 178.776 176.600 -0.269 0.000 0.985 87 E CA 0.830 57.230 56.400 0.000 0.000 0.801 87 E CB -0.078 29.720 29.700 0.163 0.000 0.750 87 E HN 0.225 8.585 8.360 -0.000 0.000 0.452 88 L N 0.541 121.389 121.223 -0.626 0.000 1.989 88 L HA -0.226 4.112 4.340 -0.002 0.000 0.211 88 L C 2.128 178.746 176.870 -0.420 0.000 1.071 88 L CA 1.798 55.968 54.840 -1.115 0.000 0.749 88 L CB -0.853 40.712 42.059 -0.824 0.000 0.890 88 L HN 0.165 8.395 8.230 -0.000 0.000 0.431 89 Y N 0.135 120.290 120.300 -0.241 0.000 2.165 89 Y HA -0.204 4.345 4.550 -0.003 0.000 0.286 89 Y C 2.952 178.823 175.900 -0.047 0.000 1.155 89 Y CA 1.537 59.583 58.100 -0.090 0.000 1.164 89 Y CB -0.868 37.610 38.460 0.031 0.000 0.978 89 Y HN 0.253 8.533 8.280 -0.000 0.000 0.513 90 R N -0.829 119.746 120.500 0.125 0.000 2.073 90 R HA -0.195 4.143 4.340 -0.002 0.000 0.234 90 R C 2.292 178.635 176.300 0.072 0.000 1.134 90 R CA 1.592 57.747 56.100 0.092 0.000 0.952 90 R CB -0.704 29.655 30.300 0.098 0.000 0.850 90 R HN 0.318 8.588 8.270 -0.000 0.000 0.433 91 F N 0.952 120.847 119.950 -0.092 0.000 2.095 91 F HA -0.235 4.291 4.527 -0.002 0.000 0.298 91 F C 2.117 177.884 175.800 -0.055 0.000 1.104 91 F CA 1.753 59.719 58.000 -0.058 0.000 1.232 91 F CB -0.100 38.840 39.000 -0.101 0.000 0.987 91 F HN -0.029 8.271 8.300 -0.000 0.000 0.475 92 M N -0.073 119.586 119.600 0.100 0.000 2.202 92 M HA -0.233 4.245 4.480 -0.002 0.000 0.262 92 M C 1.545 177.808 176.300 -0.061 0.000 1.063 92 M CA 1.613 56.919 55.300 0.010 0.000 1.097 92 M CB -0.635 31.950 32.600 -0.025 0.000 1.382 92 M HN 0.048 8.338 8.290 -0.000 0.000 0.413 93 D N 0.373 120.746 120.400 -0.044 0.000 2.265 93 D HA -0.092 4.546 4.640 -0.002 0.000 0.208 93 D C 1.830 178.076 176.300 -0.090 0.000 0.977 93 D CA 1.217 55.183 54.000 -0.057 0.000 0.871 93 D CB -0.345 40.439 40.800 -0.028 0.000 0.925 93 D HN 0.464 8.834 8.370 -0.000 0.000 0.485 94 G N -0.702 108.006 108.800 -0.153 0.000 3.088 94 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.212 94 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.212 94 G C 0.111 174.908 174.900 -0.171 0.000 1.173 94 G CA -0.114 44.876 45.100 -0.182 0.000 0.779 94 G HN 0.091 8.381 8.290 -0.000 0.000 0.540 95 D N -0.526 119.798 120.400 -0.126 0.000 2.936 95 D HA 0.093 4.731 4.640 -0.002 0.000 0.238 95 D C 0.533 176.816 176.300 -0.028 0.000 1.248 95 D CA -0.505 53.465 54.000 -0.050 0.000 0.903 95 D CB 1.911 42.713 40.800 0.004 0.000 1.544 95 D HN 0.068 8.438 8.370 -0.000 0.000 0.543 96 E N 2.403 122.592 120.200 -0.019 0.000 2.085 96 E HA -0.199 4.149 4.350 -0.002 0.000 0.194 96 E C 1.032 177.585 176.600 -0.079 0.000 0.994 96 E CA 1.142 57.514 56.400 -0.047 0.000 0.801 96 E CB 0.401 30.074 29.700 -0.045 0.000 0.743 96 E HN 0.257 8.617 8.360 -0.000 0.000 0.453 97 K N 0.239 120.574 120.400 -0.108 0.000 2.116 97 K HA -0.026 4.292 4.320 -0.002 0.000 0.203 97 K C 2.270 178.790 176.600 -0.134 0.000 1.052 97 K CA 0.516 56.672 56.287 -0.219 0.000 0.952 97 K CB -0.322 31.821 32.500 -0.596 0.000 0.729 97 K HN 0.271 8.521 8.250 -0.000 0.000 0.446 98 L N 0.464 121.666 121.223 -0.035 0.000 2.046 98 L HA -0.086 4.252 4.340 -0.002 0.000 0.208 98 L C 2.793 179.610 176.870 -0.088 0.000 1.077 98 L CA 1.123 55.930 54.840 -0.055 0.000 0.747 98 L CB -0.394 41.669 42.059 0.006 0.000 0.896 98 L HN 0.162 8.392 8.230 -0.000 0.000 0.432 99 R N 0.169 120.625 120.500 -0.073 0.000 2.091 99 R HA -0.217 4.121 4.340 -0.002 0.000 0.238 99 R C 2.413 178.670 176.300 -0.072 0.000 1.136 99 R CA 1.687 57.743 56.100 -0.073 0.000 0.959 99 R CB -0.225 30.034 30.300 -0.069 0.000 0.856 99 R HN 0.223 8.493 8.270 -0.000 0.000 0.437 100 M N 0.412 119.967 119.600 -0.076 0.000 2.073 100 M HA -0.255 4.224 4.480 -0.002 0.000 0.258 100 M C 1.983 178.256 176.300 -0.044 0.000 1.070 100 M CA 1.821 57.080 55.300 -0.068 0.000 1.103 100 M CB -0.100 32.451 32.600 -0.082 0.000 1.321 100 M HN 0.249 8.539 8.290 -0.000 0.000 0.405 101 L N -0.407 120.793 121.223 -0.038 0.000 2.046 101 L HA -0.252 4.087 4.340 -0.002 0.000 0.208 101 L C 2.549 179.519 176.870 0.166 0.000 1.077 101 L CA 1.548 56.448 54.840 0.099 0.000 0.747 101 L CB -0.758 41.321 42.059 0.033 0.000 0.896 101 L HN 0.377 8.607 8.230 -0.000 0.000 0.432 102 K N 0.122 120.514 120.400 -0.013 0.000 2.057 102 K HA -0.189 4.130 4.320 -0.002 0.000 0.207 102 K C 1.881 178.568 176.600 0.145 0.000 1.049 102 K CA 1.523 57.825 56.287 0.025 0.000 0.931 102 K CB 0.041 32.505 32.500 -0.059 0.000 0.714 102 K HN 0.289 8.539 8.250 -0.000 0.000 0.440 103 N N 0.716 119.434 118.700 0.030 0.000 2.216 103 N HA -0.130 4.609 4.740 -0.002 0.000 0.183 103 N C 1.799 177.283 175.510 -0.043 0.000 1.017 103 N CA 0.817 53.859 53.050 -0.013 0.000 0.861 103 N CB -0.163 38.272 38.487 -0.088 0.000 0.986 103 N HN 0.263 8.643 8.380 -0.000 0.000 0.428 104 R N -0.201 120.214 120.500 -0.142 0.000 2.115 104 R HA -0.012 4.326 4.340 -0.002 0.000 0.230 104 R C 0.035 175.961 176.300 -0.623 0.000 1.111 104 R CA 1.082 56.910 56.100 -0.454 0.000 0.976 104 R CB 0.021 29.914 30.300 -0.678 0.000 0.870 104 R HN 0.055 8.325 8.270 -0.000 0.000 0.445 105 F N -0.386 119.697 119.950 0.222 0.000 2.831 105 F HA 0.201 4.726 4.527 -0.003 0.000 0.355 105 F C -0.649 175.344 175.800 0.321 0.000 1.341 105 F CA -1.087 57.058 58.000 0.242 0.000 1.201 105 F CB -0.052 39.059 39.000 0.185 0.000 1.058 105 F HN -0.082 8.218 8.300 -0.000 0.000 0.514 106 Y N 1.045 121.470 120.300 0.208 0.000 2.511 106 Y HA 0.415 4.964 4.550 -0.002 0.000 0.332 106 Y C 1.285 177.318 175.900 0.220 0.000 1.177 106 Y CA 0.855 59.039 58.100 0.139 0.000 1.422 106 Y CB 0.845 39.291 38.460 -0.023 0.000 1.271 106 Y HN 0.545 8.825 8.280 -0.000 0.000 0.550 107 G N 4.533 112.945 108.800 -0.647 0.000 2.175 107 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.244 107 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.244 107 G C 0.769 175.707 174.900 0.063 0.000 0.982 107 G CA 0.325 45.287 45.100 -0.230 0.000 0.641 107 G HN 0.739 9.029 8.290 -0.000 0.000 0.527 108 F N 1.854 121.843 119.950 0.065 0.000 2.216 108 F HA 0.312 4.837 4.527 -0.002 0.000 0.300 108 F C 2.108 177.878 175.800 -0.049 0.000 1.085 108 F CA 2.951 60.941 58.000 -0.016 0.000 1.326 108 F CB -0.084 38.809 39.000 -0.177 0.000 1.027 108 F HN 1.266 9.566 8.300 -0.000 0.000 0.497 109 G N 0.807 109.691 108.800 0.140 0.000 2.539 109 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.256 109 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.256 109 G C -0.091 174.716 174.900 -0.155 0.000 1.233 109 G CA -0.091 44.887 45.100 -0.203 0.000 0.936 109 G HN 0.488 8.778 8.290 -0.000 0.000 0.571 110 R N 0.324 120.637 120.500 -0.313 0.000 2.577 110 R HA 0.596 4.935 4.340 -0.002 0.000 0.269 110 R C 0.831 176.902 176.300 -0.381 0.000 1.084 110 R CA -0.029 55.922 56.100 -0.249 0.000 1.163 110 R CB 0.619 30.768 30.300 -0.253 0.000 1.100 110 R HN 1.120 9.390 8.270 -0.000 0.000 0.547 111 A N 0.758 123.304 122.820 -0.457 0.000 2.425 111 A HA 0.392 4.710 4.320 -0.002 0.000 0.249 111 A C 0.636 177.695 177.584 -0.875 0.000 1.084 111 A CA 0.189 51.609 52.037 -1.029 0.000 0.781 111 A CB 0.432 18.550 19.000 -1.470 0.000 1.019 111 A HN 0.805 8.955 8.150 -0.000 0.000 0.490 112 G N 0.365 108.599 108.800 -0.944 0.000 2.783 112 G HA2 0.542 4.500 3.960 -0.002 0.000 0.182 112 G HA3 0.542 4.500 3.960 -0.002 0.000 0.182 112 G C -0.148 174.532 174.900 -0.367 0.000 1.516 112 G CA -0.584 44.182 45.100 -0.558 0.000 1.079 112 G HN 0.724 9.014 8.290 -0.000 0.000 0.573 113 L N -0.537 120.560 121.223 -0.210 0.000 2.327 113 L HA 0.357 4.695 4.340 -0.002 0.000 0.258 113 L C 1.198 178.067 176.870 -0.001 0.000 1.024 113 L CA -0.757 54.100 54.840 0.029 0.000 0.825 113 L CB 2.440 44.550 42.059 0.086 0.000 1.386 113 L HN 0.757 8.987 8.230 -0.000 0.000 0.417 114 M N -0.509 119.176 119.600 0.142 0.000 2.556 114 M HA 0.243 4.721 4.480 -0.002 0.000 0.245 114 M C 0.001 176.478 176.300 0.296 0.000 1.128 114 M CA 0.246 55.649 55.300 0.171 0.000 1.069 114 M CB 0.350 33.015 32.600 0.109 0.000 1.469 114 M HN 0.495 8.785 8.290 -0.000 0.000 0.494 115 S N -0.573 115.342 115.700 0.359 0.000 2.550 115 S HA 0.519 4.988 4.470 -0.002 0.000 0.270 115 S C 0.079 174.856 174.600 0.296 0.000 1.145 115 S CA -1.004 57.359 58.200 0.271 0.000 0.852 115 S CB 1.413 64.612 63.200 -0.002 0.000 1.119 115 S HN 0.297 8.607 8.310 -0.000 0.000 0.465 116 M N 1.705 121.346 119.600 0.068 0.000 2.495 116 M HA 0.198 4.676 4.480 -0.002 0.000 0.237 116 M C 0.417 176.722 176.300 0.009 0.000 1.131 116 M CA 0.164 55.444 55.300 -0.033 0.000 1.032 116 M CB -0.674 31.829 32.600 -0.161 0.000 1.513 116 M HN 0.911 9.201 8.290 -0.000 0.000 0.488 117 S N -1.627 114.080 115.700 0.012 0.000 2.550 117 S HA 0.441 4.910 4.470 -0.002 0.000 0.270 117 S C 0.544 175.145 174.600 0.001 0.000 1.145 117 S CA -0.969 57.246 58.200 0.026 0.000 0.852 117 S CB 2.039 65.288 63.200 0.083 0.000 1.119 117 S HN -0.100 8.210 8.310 -0.000 0.000 0.465 118 V N 1.142 121.064 119.914 0.014 0.000 2.287 118 V HA -0.120 3.998 4.120 -0.002 0.000 0.248 118 V C 2.046 178.143 176.094 0.006 0.000 1.053 118 V CA 2.591 64.886 62.300 -0.008 0.000 1.027 118 V CB -1.164 30.646 31.823 -0.023 0.000 0.646 118 V HN 0.853 9.043 8.190 -0.000 0.000 0.447 119 F N 1.240 121.146 119.950 -0.074 0.000 2.095 119 F HA -0.220 4.306 4.527 -0.003 0.000 0.298 119 F C 2.510 178.237 175.800 -0.121 0.000 1.104 119 F CA 2.323 60.288 58.000 -0.057 0.000 1.232 119 F CB -0.488 38.523 39.000 0.018 0.000 0.987 119 F HN 0.279 8.579 8.300 -0.000 0.000 0.475 120 E N -0.323 119.630 120.200 -0.411 0.000 2.058 120 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 120 E C 2.497 178.684 176.600 -0.688 0.000 0.997 120 E CA 1.295 57.105 56.400 -0.985 0.000 0.801 120 E CB -0.821 28.392 29.700 -0.812 0.000 0.746 120 E HN 0.509 8.869 8.360 -0.000 0.000 0.450 121 G N 1.332 109.921 108.800 -0.352 0.000 2.421 121 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.216 121 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.216 121 G C 1.618 176.367 174.900 -0.252 0.000 1.171 121 G CA 1.039 46.001 45.100 -0.230 0.000 0.775 121 G HN 0.267 8.557 8.290 -0.000 0.000 0.543 122 I N 1.373 121.790 120.570 -0.254 0.000 2.179 122 I HA -0.179 3.989 4.170 -0.002 0.000 0.242 122 I C 3.333 179.277 176.117 -0.288 0.000 1.088 122 I CA 1.027 62.181 61.300 -0.244 0.000 1.357 122 I CB -0.333 37.550 38.000 -0.195 0.000 1.051 122 I HN 0.250 8.460 8.210 -0.000 0.000 0.409 123 A N 0.894 123.467 122.820 -0.412 0.000 1.883 123 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 123 A C 2.337 179.794 177.584 -0.211 0.000 1.186 123 A CA 1.804 53.641 52.037 -0.334 0.000 0.624 123 A CB -0.509 18.233 19.000 -0.430 0.000 0.822 123 A HN 0.325 8.475 8.150 -0.000 0.000 0.444 124 K N -0.510 119.726 120.400 -0.273 0.000 2.097 124 K HA -0.028 4.290 4.320 -0.002 0.000 0.205 124 K C 2.310 178.824 176.600 -0.144 0.000 1.050 124 K CA 1.012 57.189 56.287 -0.183 0.000 0.938 124 K CB -0.300 32.071 32.500 -0.216 0.000 0.718 124 K HN 0.452 8.702 8.250 -0.000 0.000 0.442 125 A N 1.458 124.169 122.820 -0.182 0.000 1.902 125 A HA -0.155 4.163 4.320 -0.002 0.000 0.217 125 A C 2.097 179.584 177.584 -0.162 0.000 1.181 125 A CA 1.276 53.185 52.037 -0.213 0.000 0.623 125 A CB -0.573 18.252 19.000 -0.292 0.000 0.818 125 A HN 0.165 8.315 8.150 -0.000 0.000 0.443 126 I N -0.256 120.233 120.570 -0.136 0.000 2.127 126 I HA -0.301 3.867 4.170 -0.002 0.000 0.241 126 I C 2.324 178.430 176.117 -0.019 0.000 1.075 126 I CA 1.619 62.877 61.300 -0.071 0.000 1.334 126 I CB -0.417 37.530 38.000 -0.087 0.000 1.040 126 I HN 0.304 8.514 8.210 -0.000 0.000 0.405 127 I N 0.229 120.778 120.570 -0.035 0.000 2.194 127 I HA -0.383 3.786 4.170 -0.002 0.000 0.246 127 I C 2.660 178.781 176.117 0.007 0.000 1.093 127 I CA 1.671 62.961 61.300 -0.017 0.000 1.355 127 I CB -0.451 37.529 38.000 -0.033 0.000 1.046 127 I HN 0.385 8.595 8.210 -0.000 0.000 0.413 128 Q N 0.997 120.811 119.800 0.024 0.000 2.364 128 Q HA -0.142 4.197 4.340 -0.002 0.000 0.207 128 Q C 0.555 176.703 176.000 0.246 0.000 0.970 128 Q CA 0.426 56.294 55.803 0.108 0.000 0.888 128 Q CB 0.113 28.945 28.738 0.157 0.000 0.951 128 Q HN 0.516 8.786 8.270 -0.000 0.000 0.469 129 Q N 1.224 121.180 119.800 0.259 0.000 2.239 129 Q HA -0.095 4.244 4.340 -0.002 0.000 0.286 129 Q C -0.310 175.773 176.000 0.140 0.000 1.102 129 Q CA 0.248 56.257 55.803 0.343 0.000 0.936 129 Q CB 0.500 29.401 28.738 0.272 0.000 1.127 129 Q HN 0.203 8.473 8.270 -0.000 0.000 0.380 130 Q N -0.544 119.281 119.800 0.042 0.000 2.489 130 Q HA -0.221 4.118 4.340 -0.002 0.000 0.259 130 Q C -0.408 175.585 176.000 -0.012 0.000 0.934 130 Q CA 1.397 57.181 55.803 -0.031 0.000 1.131 130 Q CB -2.220 26.508 28.738 -0.016 0.000 1.472 130 Q HN 0.797 9.067 8.270 -0.000 0.000 0.560 131 I N -3.778 116.800 120.570 0.014 0.000 3.145 131 I HA 0.729 4.897 4.170 -0.002 0.000 0.313 131 I C 0.515 176.642 176.117 0.016 0.000 1.122 131 I CA -0.886 60.417 61.300 0.005 0.000 0.987 131 I CB 2.099 40.099 38.000 0.000 0.000 1.236 131 I HN 0.010 8.220 8.210 -0.000 0.000 0.453 132 S N 1.853 117.555 115.700 0.005 0.000 2.585 132 S HA 0.179 4.647 4.470 -0.002 0.000 0.273 132 S C 0.647 175.274 174.600 0.044 0.000 1.339 132 S CA -0.186 58.029 58.200 0.025 0.000 1.028 132 S CB 0.613 63.816 63.200 0.005 0.000 0.906 132 S HN 0.672 8.982 8.310 -0.000 0.000 0.528 133 F N 2.868 122.771 119.950 -0.079 0.000 2.161 133 F HA -0.058 4.467 4.527 -0.003 0.000 0.300 133 F C 2.126 177.878 175.800 -0.079 0.000 1.089 133 F CA 1.569 59.510 58.000 -0.098 0.000 1.282 133 F CB -0.490 38.407 39.000 -0.171 0.000 1.010 133 F HN 0.502 8.802 8.300 -0.000 0.000 0.485 134 V N -0.899 119.016 119.914 0.002 0.000 2.343 134 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 134 V C 2.341 178.374 176.094 -0.102 0.000 1.051 134 V CA 1.647 63.918 62.300 -0.049 0.000 1.036 134 V CB -0.783 31.036 31.823 -0.006 0.000 0.654 134 V HN 0.196 8.386 8.190 -0.000 0.000 0.451 135 V N 0.361 120.226 119.914 -0.081 0.000 2.343 135 V HA -0.263 3.856 4.120 -0.002 0.000 0.247 135 V C 2.719 178.741 176.094 -0.119 0.000 1.051 135 V CA 2.039 64.292 62.300 -0.078 0.000 1.036 135 V CB -1.163 30.631 31.823 -0.047 0.000 0.654 135 V HN 0.560 8.750 8.190 -0.000 0.000 0.451 136 A N -0.504 122.208 122.820 -0.179 0.000 1.902 136 A HA -0.209 4.109 4.320 -0.002 0.000 0.217 136 A C 2.210 179.625 177.584 -0.281 0.000 1.181 136 A CA 1.686 53.582 52.037 -0.234 0.000 0.623 136 A CB -0.417 18.391 19.000 -0.321 0.000 0.818 136 A HN 0.525 8.675 8.150 -0.000 0.000 0.443 137 E N 0.162 120.131 120.200 -0.386 0.000 2.106 137 E HA -0.154 4.195 4.350 -0.002 0.000 0.192 137 E C 1.943 178.456 176.600 -0.145 0.000 0.984 137 E CA 1.194 57.421 56.400 -0.288 0.000 0.806 137 E CB -0.270 29.253 29.700 -0.296 0.000 0.750 137 E HN 0.664 9.024 8.360 -0.000 0.000 0.458 138 K N 0.443 120.769 120.400 -0.123 0.000 2.097 138 K HA -0.044 4.275 4.320 -0.002 0.000 0.205 138 K C 2.362 178.918 176.600 -0.074 0.000 1.050 138 K CA 0.648 56.883 56.287 -0.085 0.000 0.938 138 K CB -0.094 32.364 32.500 -0.070 0.000 0.718 138 K HN 0.061 8.311 8.250 -0.000 0.000 0.442 139 L N 0.454 121.634 121.223 -0.073 0.000 2.027 139 L HA -0.181 4.158 4.340 -0.002 0.000 0.206 139 L C 2.579 179.433 176.870 -0.028 0.000 1.074 139 L CA 1.134 55.946 54.840 -0.046 0.000 0.745 139 L CB -0.539 41.496 42.059 -0.040 0.000 0.898 139 L HN 0.205 8.435 8.230 -0.000 0.000 0.433 140 A N -0.006 122.800 122.820 -0.023 0.000 1.908 140 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 140 A C 2.506 180.095 177.584 0.008 0.000 1.181 140 A CA 1.888 53.953 52.037 0.046 0.000 0.627 140 A CB -0.785 18.261 19.000 0.077 0.000 0.818 140 A HN 0.430 8.580 8.150 -0.000 0.000 0.445 141 A N -0.469 122.327 122.820 -0.040 0.000 1.933 141 A HA -0.160 4.158 4.320 -0.002 0.000 0.218 141 A C 2.114 179.635 177.584 -0.104 0.000 1.175 141 A CA 1.809 53.797 52.037 -0.082 0.000 0.628 141 A CB -0.350 18.588 19.000 -0.104 0.000 0.814 141 A HN 0.386 8.536 8.150 -0.000 0.000 0.444 142 K N -0.243 120.103 120.400 -0.089 0.000 2.057 142 K HA -0.039 4.279 4.320 -0.002 0.000 0.207 142 K C 1.868 178.388 176.600 -0.133 0.000 1.049 142 K CA 1.346 57.569 56.287 -0.105 0.000 0.931 142 K CB -0.567 31.888 32.500 -0.075 0.000 0.714 142 K HN 0.608 8.858 8.250 -0.000 0.000 0.440 143 I N 0.691 121.214 120.570 -0.079 0.000 2.252 143 I HA -0.245 3.924 4.170 -0.002 0.000 0.245 143 I C 2.335 178.379 176.117 -0.121 0.000 1.102 143 I CA 0.753 62.030 61.300 -0.038 0.000 1.385 143 I CB -0.237 37.760 38.000 -0.004 0.000 1.064 143 I HN -0.150 8.060 8.210 -0.000 0.000 0.414 144 V N 1.006 120.834 119.914 -0.144 0.000 2.295 144 V HA -0.248 3.870 4.120 -0.002 0.000 0.246 144 V C 2.596 178.632 176.094 -0.096 0.000 1.049 144 V CA 2.297 64.523 62.300 -0.123 0.000 1.024 144 V CB -1.381 30.410 31.823 -0.052 0.000 0.648 144 V HN 0.580 8.770 8.190 -0.000 0.000 0.447 145 G N -0.438 108.280 108.800 -0.136 0.000 2.446 145 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 145 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 145 G C 1.764 176.542 174.900 -0.203 0.000 1.168 145 G CA 0.618 45.636 45.100 -0.136 0.000 0.771 145 G HN 0.321 8.611 8.290 -0.000 0.000 0.551 146 R N -0.626 119.636 120.500 -0.397 0.000 2.062 146 R HA 0.092 4.430 4.340 -0.002 0.000 0.226 146 R C 1.882 177.753 176.300 -0.715 0.000 1.125 146 R CA 0.955 56.601 56.100 -0.757 0.000 0.966 146 R CB -0.427 28.997 30.300 -1.460 0.000 0.861 146 R HN 0.496 8.766 8.270 -0.000 0.000 0.433 147 F N -1.178 118.735 119.950 -0.062 0.000 2.767 147 F HA 0.354 4.880 4.527 -0.002 0.000 0.323 147 F C 1.274 177.030 175.800 -0.073 0.000 1.091 147 F CA -0.516 57.445 58.000 -0.066 0.000 1.192 147 F CB -0.161 38.788 39.000 -0.084 0.000 1.056 147 F HN -0.100 8.200 8.300 -0.000 0.000 0.571 148 G N 0.077 108.899 108.800 0.037 0.000 2.537 148 G HA2 0.253 4.212 3.960 -0.002 0.000 0.273 148 G HA3 0.253 4.212 3.960 -0.002 0.000 0.273 148 G C -0.423 174.515 174.900 0.063 0.000 1.189 148 G CA -0.447 44.668 45.100 0.024 0.000 0.881 148 G HN -0.085 8.205 8.290 -0.000 0.000 0.535 149 D N -0.466 119.976 120.400 0.070 0.000 2.357 149 D HA 0.234 4.872 4.640 -0.002 0.000 0.242 149 D C -0.078 176.254 176.300 0.053 0.000 1.153 149 D CA 0.623 54.657 54.000 0.057 0.000 0.918 149 D CB 1.734 42.563 40.800 0.047 0.000 1.181 149 D HN 0.446 8.816 8.370 -0.000 0.000 0.435 150 E N 0.552 120.756 120.200 0.006 0.000 2.278 150 E HA 0.401 4.749 4.350 -0.002 0.000 0.272 150 E C -1.832 174.734 176.600 -0.057 0.000 0.890 150 E CA -0.641 55.707 56.400 -0.087 0.000 0.770 150 E CB 1.702 31.350 29.700 -0.087 0.000 1.212 150 E HN 0.045 8.405 8.360 -0.000 0.000 0.415 151 V N 3.748 123.636 119.914 -0.043 0.000 2.487 151 V HA 0.319 4.438 4.120 -0.002 0.000 0.298 151 V C -0.453 175.718 176.094 0.128 0.000 1.028 151 V CA -0.776 61.538 62.300 0.023 0.000 0.860 151 V CB 1.752 33.560 31.823 -0.025 0.000 0.991 151 V HN 0.716 8.906 8.190 -0.000 0.000 0.427 152 E N 3.390 123.665 120.200 0.125 0.000 2.134 152 E HA 0.474 4.822 4.350 -0.002 0.000 0.278 152 E C -1.687 175.089 176.600 0.293 0.000 0.959 152 E CA -0.480 56.035 56.400 0.191 0.000 0.783 152 E CB 1.148 30.904 29.700 0.093 0.000 1.095 152 E HN 0.611 8.971 8.360 -0.000 0.000 0.399 153 W N 5.189 126.589 121.300 0.167 0.000 3.439 153 W HA 0.303 4.963 4.660 -0.002 0.000 0.323 153 W C -0.779 175.860 176.519 0.200 0.000 1.174 153 W CA -0.638 56.761 57.345 0.090 0.000 1.224 153 W CB 0.874 30.247 29.460 -0.145 0.000 1.348 153 W HN 0.698 8.878 8.180 -0.000 0.000 0.498 154 N N 3.653 122.009 118.700 -0.573 0.000 2.735 154 N HA -0.161 4.577 4.740 -0.002 0.000 0.248 154 N C 0.942 176.319 175.510 -0.222 0.000 1.083 154 N CA 2.918 55.597 53.050 -0.617 0.000 0.703 154 N CB -1.042 36.788 38.487 -1.095 0.000 1.005 154 N HN 1.553 9.933 8.380 -0.000 0.000 0.550 155 G N -2.404 106.332 108.800 -0.106 0.000 2.205 155 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.261 155 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.261 155 G C -0.007 174.889 174.900 -0.008 0.000 0.980 155 G CA 0.625 45.695 45.100 -0.050 0.000 0.632 155 G HN 0.443 8.733 8.290 -0.000 0.000 0.533 156 L N -0.124 121.135 121.223 0.059 0.000 2.342 156 L HA 0.619 4.957 4.340 -0.002 0.000 0.271 156 L C 0.242 177.145 176.870 0.055 0.000 1.008 156 L CA -1.054 53.783 54.840 -0.006 0.000 0.818 156 L CB 1.936 43.905 42.059 -0.151 0.000 1.296 156 L HN -0.028 8.202 8.230 -0.000 0.000 0.427 157 K N 2.129 122.453 120.400 -0.127 0.000 2.183 157 K HA 0.573 4.891 4.320 -0.002 0.000 0.274 157 K C -1.386 174.922 176.600 -0.485 0.000 1.009 157 K CA -0.178 55.983 56.287 -0.209 0.000 0.888 157 K CB 1.155 33.465 32.500 -0.317 0.000 1.078 157 K HN 0.235 8.485 8.250 -0.000 0.000 0.459 158 F N 2.279 121.983 119.950 -0.409 0.000 2.495 158 F HA 0.391 4.917 4.527 -0.003 0.000 0.327 158 F C -0.482 175.063 175.800 -0.425 0.000 1.103 158 F CA -0.942 56.895 58.000 -0.271 0.000 0.949 158 F CB 1.142 40.086 39.000 -0.093 0.000 1.142 158 F HN 0.369 8.669 8.300 -0.000 0.000 0.457 159 Y N 0.631 120.989 120.300 0.096 0.000 2.429 159 Y HA 0.712 5.261 4.550 -0.002 0.000 0.342 159 Y C 0.431 176.362 175.900 0.053 0.000 1.004 159 Y CA -1.249 56.880 58.100 0.048 0.000 1.075 159 Y CB 2.167 40.624 38.460 -0.005 0.000 1.214 159 Y HN 0.670 8.950 8.280 -0.000 0.000 0.455 160 G N 1.302 110.220 108.800 0.197 0.000 2.498 160 G HA2 0.472 4.430 3.960 -0.002 0.000 0.312 160 G HA3 0.472 4.430 3.960 -0.002 0.000 0.312 160 G C -1.881 173.132 174.900 0.188 0.000 1.230 160 G CA -0.730 44.471 45.100 0.169 0.000 0.968 160 G HN 0.482 8.772 8.290 -0.000 0.000 0.481 161 F N 2.120 122.124 119.950 0.090 0.000 2.529 161 F HA 0.387 4.912 4.527 -0.003 0.000 0.365 161 F C -1.497 174.384 175.800 0.135 0.000 1.102 161 F CA -1.601 56.456 58.000 0.095 0.000 1.271 161 F CB 0.896 39.937 39.000 0.068 0.000 1.120 161 F HN 0.154 8.454 8.300 -0.000 0.000 0.579 162 P HA 0.019 4.439 4.420 -0.000 0.000 0.265 162 P C -0.529 176.909 177.300 0.231 0.000 1.187 162 P CA -0.062 62.998 63.100 -0.067 0.000 0.766 162 P CB 0.146 31.761 31.700 -0.141 0.000 0.820 163 T N -0.581 114.070 114.554 0.161 0.000 2.766 163 T HA 0.054 4.403 4.350 -0.002 0.000 0.295 163 T C 1.291 175.975 174.700 -0.027 0.000 1.024 163 T CA -0.256 61.915 62.100 0.118 0.000 1.018 163 T CB 0.325 69.208 68.868 0.026 0.000 1.002 163 T HN 0.378 8.618 8.240 -0.000 0.000 0.532 164 Q N 0.407 119.978 119.800 -0.381 0.000 2.096 164 Q HA -0.181 4.157 4.340 -0.002 0.000 0.204 164 Q C 2.278 178.093 176.000 -0.308 0.000 0.982 164 Q CA 2.082 57.457 55.803 -0.713 0.000 0.850 164 Q CB -0.240 28.039 28.738 -0.765 0.000 0.901 164 Q HN 0.809 9.079 8.270 -0.000 0.000 0.422 165 E N 0.879 120.970 120.200 -0.183 0.000 2.077 165 E HA -0.161 4.187 4.350 -0.002 0.000 0.193 165 E C 1.878 178.424 176.600 -0.091 0.000 0.989 165 E CA 1.189 57.521 56.400 -0.115 0.000 0.800 165 E CB -0.316 29.338 29.700 -0.076 0.000 0.746 165 E HN 0.386 8.746 8.360 -0.000 0.000 0.452 166 A N 1.145 123.928 122.820 -0.062 0.000 1.940 166 A HA -0.182 4.136 4.320 -0.002 0.000 0.219 166 A C 2.096 179.597 177.584 -0.138 0.000 1.176 166 A CA 1.212 53.221 52.037 -0.047 0.000 0.631 166 A CB -0.476 18.539 19.000 0.024 0.000 0.814 166 A HN 0.145 8.295 8.150 -0.000 0.000 0.446 167 I N -0.246 120.257 120.570 -0.112 0.000 2.439 167 I HA -0.153 4.015 4.170 -0.002 0.000 0.251 167 I C 2.379 178.391 176.117 -0.175 0.000 1.139 167 I CA 0.960 62.173 61.300 -0.145 0.000 1.438 167 I CB -1.196 36.864 38.000 0.099 0.000 1.085 167 I HN 0.304 8.514 8.210 -0.000 0.000 0.427 168 L N 0.288 121.429 121.223 -0.138 0.000 2.093 168 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 168 L C 2.535 179.333 176.870 -0.121 0.000 1.085 168 L CA 1.339 56.111 54.840 -0.113 0.000 0.755 168 L CB -0.472 41.530 42.059 -0.096 0.000 0.904 168 L HN 0.189 8.419 8.230 -0.000 0.000 0.435 169 K N -0.091 120.231 120.400 -0.131 0.000 2.057 169 K HA -0.114 4.204 4.320 -0.002 0.000 0.206 169 K C 2.247 178.738 176.600 -0.182 0.000 1.050 169 K CA 1.240 57.457 56.287 -0.116 0.000 0.935 169 K CB -0.189 32.266 32.500 -0.076 0.000 0.715 169 K HN 0.261 8.511 8.250 -0.000 0.000 0.439 170 A N 1.197 123.791 122.820 -0.375 0.000 1.877 170 A HA 0.038 4.356 4.320 -0.002 0.000 0.216 170 A C 1.156 178.530 177.584 -0.350 0.000 1.186 170 A CA 1.586 53.218 52.037 -0.675 0.000 0.620 170 A CB -1.012 17.038 19.000 -1.584 0.000 0.822 170 A HN 0.457 8.607 8.150 -0.000 0.000 0.443 171 G N -2.722 105.925 108.800 -0.255 0.000 2.855 171 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.352 171 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.352 171 G C 0.591 175.426 174.900 -0.108 0.000 1.415 171 G CA -0.146 44.873 45.100 -0.134 0.000 0.871 171 G HN 0.887 9.177 8.290 -0.000 0.000 0.543 172 V N 0.412 120.293 119.914 -0.055 0.000 2.332 172 V HA -0.165 3.954 4.120 -0.002 0.000 0.248 172 V C 2.769 178.854 176.094 -0.015 0.000 1.055 172 V CA 2.886 65.170 62.300 -0.028 0.000 1.038 172 V CB -0.527 31.290 31.823 -0.011 0.000 0.651 172 V HN 0.722 8.912 8.190 -0.000 0.000 0.450 173 E N 0.567 120.760 120.200 -0.012 0.000 2.106 173 E HA -0.125 4.223 4.350 -0.002 0.000 0.192 173 E C 2.379 179.003 176.600 0.041 0.000 0.984 173 E CA 1.351 57.759 56.400 0.013 0.000 0.806 173 E CB -0.852 28.856 29.700 0.014 0.000 0.750 173 E HN 0.605 8.965 8.360 -0.000 0.000 0.458 174 G N 1.446 110.261 108.800 0.024 0.000 2.446 174 G HA2 -0.243 3.715 3.960 -0.002 0.000 0.217 174 G HA3 -0.243 3.715 3.960 -0.002 0.000 0.217 174 G C 1.743 176.771 174.900 0.213 0.000 1.168 174 G CA 0.769 45.949 45.100 0.133 0.000 0.771 174 G HN 0.196 8.486 8.290 -0.000 0.000 0.551 175 L N -0.400 120.859 121.223 0.059 0.000 2.056 175 L HA -0.004 4.335 4.340 -0.002 0.000 0.207 175 L C 3.177 180.094 176.870 0.078 0.000 1.078 175 L CA 0.858 55.754 54.840 0.092 0.000 0.749 175 L CB -0.369 41.702 42.059 0.021 0.000 0.901 175 L HN 0.149 8.379 8.230 -0.000 0.000 0.433 176 R N 0.247 120.778 120.500 0.051 0.000 2.105 176 R HA -0.194 4.144 4.340 -0.002 0.000 0.239 176 R C 2.110 178.437 176.300 0.045 0.000 1.135 176 R CA 1.411 57.534 56.100 0.039 0.000 0.967 176 R CB -0.300 30.015 30.300 0.026 0.000 0.861 176 R HN 0.423 8.693 8.270 -0.000 0.000 0.442 177 E N -0.150 120.090 120.200 0.067 0.000 2.209 177 E HA -0.186 4.162 4.350 -0.002 0.000 0.196 177 E C 1.609 178.235 176.600 0.044 0.000 0.993 177 E CA 1.057 57.493 56.400 0.060 0.000 0.819 177 E CB -0.019 29.734 29.700 0.089 0.000 0.745 177 E HN 0.350 8.710 8.360 -0.000 0.000 0.477 178 C N -0.424 118.916 119.300 0.066 0.000 2.522 178 C HA 0.209 4.667 4.460 -0.002 0.000 0.271 178 C C 1.688 176.685 174.990 0.012 0.000 1.425 178 C CA 0.534 59.571 59.018 0.032 0.000 1.751 178 C CB -0.844 26.934 27.740 0.064 0.000 1.775 178 C HN 0.711 8.941 8.230 -0.000 0.000 0.557 179 G N -0.424 108.386 108.800 0.017 0.000 2.184 179 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.206 179 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.206 179 G C -0.229 174.676 174.900 0.008 0.000 0.995 179 G CA -0.282 44.821 45.100 0.005 0.000 0.651 179 G HN 0.346 8.636 8.290 -0.000 0.000 0.511 180 L N 2.793 124.027 121.223 0.018 0.000 2.349 180 L HA 0.684 5.023 4.340 -0.002 0.000 0.275 180 L C 1.370 178.249 176.870 0.015 0.000 1.115 180 L CA 0.223 55.073 54.840 0.016 0.000 0.820 180 L CB 1.261 43.334 42.059 0.024 0.000 1.135 180 L HN 0.610 8.840 8.230 -0.000 0.000 0.445 181 S N 4.245 119.952 115.700 0.011 0.000 2.573 181 S HA 0.068 4.536 4.470 -0.002 0.000 0.277 181 S C 1.354 175.962 174.600 0.013 0.000 1.346 181 S CA 0.190 58.397 58.200 0.011 0.000 1.034 181 S CB 0.407 63.613 63.200 0.011 0.000 0.879 181 S HN 0.781 9.091 8.310 -0.000 0.000 0.528 182 R N 1.221 121.728 120.500 0.012 0.000 2.113 182 R HA -0.220 4.118 4.340 -0.002 0.000 0.244 182 R C 2.368 178.675 176.300 0.012 0.000 1.142 182 R CA 1.966 58.073 56.100 0.012 0.000 0.953 182 R CB -0.379 29.928 30.300 0.010 0.000 0.860 182 R HN 0.738 9.008 8.270 -0.000 0.000 0.438 183 R N 0.860 121.368 120.500 0.014 0.000 2.092 183 R HA -0.041 4.297 4.340 -0.002 0.000 0.231 183 R C 1.925 178.234 176.300 0.014 0.000 1.119 183 R CA 1.857 57.967 56.100 0.016 0.000 0.970 183 R CB -0.114 30.197 30.300 0.018 0.000 0.864 183 R HN 0.271 8.541 8.270 -0.000 0.000 0.440 184 K N -0.376 120.032 120.400 0.013 0.000 2.057 184 K HA -0.033 4.286 4.320 -0.002 0.000 0.207 184 K C 2.042 178.645 176.600 0.006 0.000 1.049 184 K CA 1.339 57.631 56.287 0.008 0.000 0.931 184 K CB -0.213 32.293 32.500 0.010 0.000 0.714 184 K HN 0.252 8.502 8.250 -0.000 0.000 0.440 185 A N 1.791 124.618 122.820 0.010 0.000 1.883 185 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 185 A C 1.935 179.523 177.584 0.007 0.000 1.186 185 A CA 1.686 53.729 52.037 0.009 0.000 0.624 185 A CB -0.478 18.528 19.000 0.009 0.000 0.822 185 A HN 0.312 8.462 8.150 -0.000 0.000 0.444 186 E N -0.926 119.280 120.200 0.010 0.000 2.058 186 E HA -0.210 4.138 4.350 -0.002 0.000 0.194 186 E C 1.951 178.562 176.600 0.018 0.000 0.997 186 E CA 1.287 57.696 56.400 0.014 0.000 0.801 186 E CB -0.268 29.442 29.700 0.017 0.000 0.746 186 E HN 0.460 8.820 8.360 -0.000 0.000 0.450 187 L N 1.029 122.259 121.223 0.012 0.000 2.056 187 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 187 L C 2.051 178.905 176.870 -0.027 0.000 1.078 187 L CA 1.462 56.300 54.840 -0.003 0.000 0.749 187 L CB -0.281 41.769 42.059 -0.014 0.000 0.901 187 L HN 0.130 8.360 8.230 -0.000 0.000 0.433 188 I N -1.926 118.640 120.570 -0.007 0.000 2.226 188 I HA -0.269 3.899 4.170 -0.002 0.000 0.245 188 I C 2.322 178.500 176.117 0.100 0.000 1.100 188 I CA 0.906 62.226 61.300 0.033 0.000 1.374 188 I CB -0.325 37.692 38.000 0.029 0.000 1.057 188 I HN 0.044 8.254 8.210 -0.000 0.000 0.413 189 V N 0.830 120.775 119.914 0.052 0.000 2.295 189 V HA -0.314 3.804 4.120 -0.002 0.000 0.246 189 V C 2.523 178.637 176.094 0.034 0.000 1.049 189 V CA 2.247 64.568 62.300 0.035 0.000 1.024 189 V CB -0.630 31.195 31.823 0.002 0.000 0.648 189 V HN 0.521 8.711 8.190 -0.000 0.000 0.447 190 E N -0.067 120.155 120.200 0.037 0.000 2.085 190 E HA -0.235 4.113 4.350 -0.002 0.000 0.194 190 E C 2.226 178.857 176.600 0.051 0.000 0.994 190 E CA 1.576 58.017 56.400 0.068 0.000 0.801 190 E CB -0.046 29.722 29.700 0.112 0.000 0.743 190 E HN 0.454 8.814 8.360 -0.000 0.000 0.453 191 I N 1.370 121.910 120.570 -0.049 0.000 2.226 191 I HA -0.204 3.965 4.170 -0.002 0.000 0.245 191 I C 2.604 178.743 176.117 0.037 0.000 1.100 191 I CA 1.287 62.524 61.300 -0.105 0.000 1.374 191 I CB -1.591 36.331 38.000 -0.130 0.000 1.057 191 I HN 0.177 8.387 8.210 -0.000 0.000 0.413 192 A N 0.778 123.637 122.820 0.066 0.000 2.024 192 A HA -0.216 4.103 4.320 -0.002 0.000 0.220 192 A C 2.212 179.701 177.584 -0.159 0.000 1.164 192 A CA 1.427 53.347 52.037 -0.196 0.000 0.643 192 A CB -0.557 18.352 19.000 -0.151 0.000 0.806 192 A HN 0.415 8.565 8.150 -0.000 0.000 0.451 193 K N 0.319 120.692 120.400 -0.044 0.000 2.439 193 K HA -0.008 4.310 4.320 -0.002 0.000 0.197 193 K C -0.231 176.379 176.600 0.016 0.000 1.041 193 K CA 0.321 56.599 56.287 -0.014 0.000 0.970 193 K CB 0.103 32.620 32.500 0.028 0.000 0.773 193 K HN 0.418 8.668 8.250 -0.000 0.000 0.479 194 E N 2.363 122.586 120.200 0.039 0.000 2.257 194 E HA 0.041 4.390 4.350 -0.002 0.000 0.278 194 E C -0.282 176.332 176.600 0.024 0.000 1.049 194 E CA 0.268 56.726 56.400 0.096 0.000 0.876 194 E CB 0.694 30.515 29.700 0.201 0.000 1.035 194 E HN 0.193 8.553 8.360 -0.000 0.000 0.419 195 E N 2.136 122.354 120.200 0.030 0.000 2.319 195 E HA 0.111 4.460 4.350 -0.002 0.000 0.268 195 E C 0.148 176.746 176.600 -0.003 0.000 1.050 195 E CA -0.541 55.859 56.400 -0.000 0.000 0.878 195 E CB 0.585 30.289 29.700 0.007 0.000 1.066 195 E HN 0.351 8.711 8.360 -0.000 0.000 0.406 196 N N 0.843 119.532 118.700 -0.018 0.000 2.741 196 N HA -0.227 4.512 4.740 -0.002 0.000 0.251 196 N C 0.687 176.159 175.510 -0.063 0.000 1.112 196 N CA 0.389 53.426 53.050 -0.022 0.000 0.750 196 N CB -1.196 37.296 38.487 0.009 0.000 1.119 196 N HN 0.408 8.788 8.380 -0.000 0.000 0.561 197 L N 1.413 122.598 121.223 -0.065 0.000 2.127 197 L HA -0.110 4.228 4.340 -0.002 0.000 0.211 197 L C 2.259 179.058 176.870 -0.117 0.000 1.089 197 L CA 2.221 57.006 54.840 -0.092 0.000 0.757 197 L CB -0.333 41.717 42.059 -0.015 0.000 0.899 197 L HN 0.189 8.419 8.230 -0.000 0.000 0.434 198 E N -0.018 120.142 120.200 -0.067 0.000 2.265 198 E HA -0.218 4.130 4.350 -0.002 0.000 0.196 198 E C 1.953 178.504 176.600 -0.081 0.000 0.996 198 E CA 1.157 57.523 56.400 -0.056 0.000 0.832 198 E CB -0.117 29.568 29.700 -0.025 0.000 0.756 198 E HN 0.620 8.980 8.360 -0.000 0.000 0.491 199 E N -0.311 119.835 120.200 -0.090 0.000 2.265 199 E HA -0.188 4.161 4.350 -0.002 0.000 0.196 199 E C 1.840 178.334 176.600 -0.175 0.000 0.996 199 E CA 0.607 56.976 56.400 -0.052 0.000 0.832 199 E CB -0.152 29.576 29.700 0.047 0.000 0.756 199 E HN 0.221 8.581 8.360 -0.000 0.000 0.491 200 L N 1.746 122.688 121.223 -0.469 0.000 2.189 200 L HA -0.223 4.116 4.340 -0.002 0.000 0.214 200 L C 2.108 178.817 176.870 -0.268 0.000 1.097 200 L CA 1.689 56.071 54.840 -0.764 0.000 0.764 200 L CB -0.204 41.438 42.059 -0.695 0.000 0.900 200 L HN -0.067 8.163 8.230 -0.000 0.000 0.436 201 K N -0.505 119.821 120.400 -0.123 0.000 2.280 201 K HA -0.172 4.147 4.320 -0.002 0.000 0.202 201 K C 1.254 177.876 176.600 0.037 0.000 1.047 201 K CA 1.515 57.785 56.287 -0.027 0.000 0.942 201 K CB 0.053 32.539 32.500 -0.022 0.000 0.739 201 K HN 0.500 8.750 8.250 -0.000 0.000 0.457 202 E N -0.826 119.425 120.200 0.085 0.000 2.465 202 E HA 0.001 4.349 4.350 -0.002 0.000 0.195 202 E C -0.732 176.028 176.600 0.266 0.000 1.028 202 E CA -0.488 55.996 56.400 0.140 0.000 0.899 202 E CB 0.292 30.053 29.700 0.103 0.000 1.032 202 E HN 0.144 8.504 8.360 -0.000 0.000 0.468 203 W N 1.501 122.791 121.300 -0.016 0.000 2.184 203 W HA 0.306 4.964 4.660 -0.002 0.000 0.338 203 W C 1.221 177.744 176.519 0.007 0.000 1.257 203 W CA -0.741 56.598 57.345 -0.010 0.000 1.243 203 W CB 0.112 29.563 29.460 -0.015 0.000 1.122 203 W HN -0.067 8.113 8.180 -0.000 0.000 0.585 204 G N 1.223 110.135 108.800 0.186 0.000 2.491 204 G HA2 0.007 3.965 3.960 -0.002 0.000 0.238 204 G HA3 0.007 3.965 3.960 -0.002 0.000 0.238 204 G C 0.598 175.609 174.900 0.185 0.000 1.277 204 G CA -0.356 44.818 45.100 0.124 0.000 0.851 204 G HN 0.652 8.942 8.290 -0.000 0.000 0.573 205 E N 0.864 121.148 120.200 0.140 0.000 2.097 205 E HA -0.185 4.163 4.350 -0.002 0.000 0.196 205 E C 2.181 178.901 176.600 0.199 0.000 1.000 205 E CA 1.743 58.238 56.400 0.158 0.000 0.804 205 E CB 0.104 29.864 29.700 0.100 0.000 0.740 205 E HN 0.777 9.137 8.360 -0.000 0.000 0.454 206 E N 0.493 120.783 120.200 0.150 0.000 2.028 206 E HA -0.197 4.152 4.350 -0.002 0.000 0.191 206 E C 2.069 178.809 176.600 0.234 0.000 0.988 206 E CA 1.142 57.636 56.400 0.157 0.000 0.799 206 E CB 0.014 29.764 29.700 0.084 0.000 0.755 206 E HN 0.178 8.538 8.360 -0.000 0.000 0.447 207 E N 0.726 121.050 120.200 0.207 0.000 2.077 207 E HA -0.157 4.191 4.350 -0.002 0.000 0.193 207 E C 1.851 178.779 176.600 0.547 0.000 0.989 207 E CA 1.157 57.714 56.400 0.261 0.000 0.800 207 E CB -0.212 29.496 29.700 0.013 0.000 0.746 207 E HN 0.273 8.633 8.360 -0.000 0.000 0.452 208 A N 0.108 123.265 122.820 0.562 0.000 1.902 208 A HA -0.219 4.099 4.320 -0.002 0.000 0.217 208 A C 2.129 179.941 177.584 0.380 0.000 1.181 208 A CA 1.529 53.856 52.037 0.482 0.000 0.623 208 A CB -0.857 18.327 19.000 0.307 0.000 0.818 208 A HN 0.433 8.583 8.150 -0.000 0.000 0.443 209 Y N 0.615 121.051 120.300 0.228 0.000 2.181 209 Y HA -0.176 4.372 4.550 -0.002 0.000 0.288 209 Y C 2.358 178.364 175.900 0.177 0.000 1.146 209 Y CA 2.070 60.269 58.100 0.165 0.000 1.164 209 Y CB -0.004 38.530 38.460 0.122 0.000 0.982 209 Y HN 0.301 8.581 8.280 -0.000 0.000 0.515 210 E N -0.507 119.882 120.200 0.315 0.000 2.077 210 E HA -0.258 4.090 4.350 -0.002 0.000 0.193 210 E C 2.000 178.700 176.600 0.166 0.000 0.989 210 E CA 1.523 58.051 56.400 0.214 0.000 0.800 210 E CB -0.969 28.879 29.700 0.248 0.000 0.746 210 E HN 0.669 9.029 8.360 -0.000 0.000 0.452 211 Y N 1.471 121.876 120.300 0.175 0.000 2.097 211 Y HA -0.203 4.345 4.550 -0.003 0.000 0.282 211 Y C 2.265 178.256 175.900 0.151 0.000 1.152 211 Y CA 1.547 59.751 58.100 0.174 0.000 1.136 211 Y CB -0.511 38.104 38.460 0.259 0.000 0.975 211 Y HN -0.069 8.211 8.280 -0.000 0.000 0.498 212 L N -0.366 120.887 121.223 0.050 0.000 2.017 212 L HA -0.239 4.099 4.340 -0.002 0.000 0.208 212 L C 2.559 179.390 176.870 -0.066 0.000 1.073 212 L CA 2.181 56.992 54.840 -0.048 0.000 0.745 212 L CB -1.106 40.914 42.059 -0.066 0.000 0.894 212 L HN 0.410 8.640 8.230 -0.000 0.000 0.432 213 T N -3.869 110.554 114.554 -0.219 0.000 3.072 213 T HA -0.092 4.257 4.350 -0.002 0.000 0.266 213 T C 1.893 176.522 174.700 -0.118 0.000 1.127 213 T CA 0.809 62.781 62.100 -0.214 0.000 1.107 213 T CB -0.372 68.259 68.868 -0.394 0.000 0.910 213 T HN 0.421 8.661 8.240 -0.000 0.000 0.513 214 S N 0.439 116.048 115.700 -0.152 0.000 2.474 214 S HA 0.112 4.580 4.470 -0.002 0.000 0.235 214 S C 0.284 174.671 174.600 -0.355 0.000 0.997 214 S CA -0.393 57.663 58.200 -0.240 0.000 0.949 214 S CB -1.006 62.020 63.200 -0.289 0.000 0.766 214 S HN 0.474 8.784 8.310 -0.000 0.000 0.517 215 F N 2.685 122.519 119.950 -0.193 0.000 2.456 215 F HA 0.368 4.894 4.527 -0.002 0.000 0.358 215 F C 0.883 176.626 175.800 -0.096 0.000 1.095 215 F CA -0.696 57.214 58.000 -0.150 0.000 1.216 215 F CB 0.570 39.461 39.000 -0.183 0.000 1.125 215 F HN -0.121 8.179 8.300 -0.000 0.000 0.549 216 K N 2.162 122.612 120.400 0.083 0.000 2.378 216 K HA 0.367 4.686 4.320 -0.002 0.000 0.288 216 K C 0.855 177.494 176.600 0.066 0.000 1.057 216 K CA 0.655 56.972 56.287 0.049 0.000 0.971 216 K CB 0.282 32.799 32.500 0.028 0.000 0.975 216 K HN 0.971 9.221 8.250 -0.000 0.000 0.475 217 G N 3.009 111.839 108.800 0.051 0.000 2.184 217 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.206 217 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.206 217 G C 0.028 174.953 174.900 0.042 0.000 0.995 217 G CA -0.683 44.445 45.100 0.046 0.000 0.651 217 G HN 0.544 8.834 8.290 -0.000 0.000 0.511 218 I N 1.931 122.524 120.570 0.038 0.000 2.354 218 I HA 0.598 4.767 4.170 -0.002 0.000 0.286 218 I C 1.015 177.130 176.117 -0.004 0.000 1.007 218 I CA -0.196 61.106 61.300 0.004 0.000 1.167 218 I CB 1.313 39.295 38.000 -0.030 0.000 1.320 218 I HN 0.165 8.375 8.210 -0.000 0.000 0.458 219 G N 4.568 113.385 108.800 0.027 0.000 3.119 219 G HA2 0.314 4.272 3.960 -0.002 0.000 0.206 219 G HA3 0.314 4.272 3.960 -0.002 0.000 0.206 219 G C 0.614 175.551 174.900 0.061 0.000 1.313 219 G CA -0.469 44.659 45.100 0.046 0.000 1.010 219 G HN 0.586 8.876 8.290 -0.000 0.000 0.578 220 R N -1.502 119.099 120.500 0.169 0.000 2.073 220 R HA -0.104 4.235 4.340 -0.002 0.000 0.234 220 R C 2.185 178.655 176.300 0.284 0.000 1.134 220 R CA 2.009 58.285 56.100 0.292 0.000 0.952 220 R CB -0.393 30.094 30.300 0.312 0.000 0.850 220 R HN 0.589 8.859 8.270 -0.000 0.000 0.433 221 W N 1.084 122.441 121.300 0.095 0.000 2.379 221 W HA -0.092 4.567 4.660 -0.003 0.000 0.307 221 W C 1.809 178.364 176.519 0.060 0.000 1.200 221 W CA 1.935 59.324 57.345 0.073 0.000 1.297 221 W CB -0.649 28.840 29.460 0.049 0.000 1.140 221 W HN -0.038 8.142 8.180 -0.000 0.000 0.507 222 T N 0.971 115.416 114.554 -0.182 0.000 2.746 222 T HA -0.201 4.147 4.350 -0.002 0.000 0.267 222 T C 1.982 176.492 174.700 -0.318 0.000 1.039 222 T CA 2.208 64.025 62.100 -0.471 0.000 1.142 222 T CB -0.979 67.764 68.868 -0.208 0.000 0.866 222 T HN 0.263 8.503 8.240 -0.000 0.000 0.444 223 A N 1.538 124.266 122.820 -0.153 0.000 1.902 223 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 223 A C 2.208 179.792 177.584 0.000 0.000 1.181 223 A CA 1.552 53.529 52.037 -0.100 0.000 0.623 223 A CB -0.484 18.386 19.000 -0.218 0.000 0.818 223 A HN 0.561 8.711 8.150 -0.000 0.000 0.443 224 E N -0.894 119.335 120.200 0.049 0.000 2.152 224 E HA -0.105 4.244 4.350 -0.002 0.000 0.192 224 E C 1.896 178.473 176.600 -0.038 0.000 0.983 224 E CA 0.788 57.236 56.400 0.079 0.000 0.818 224 E CB -0.178 29.602 29.700 0.133 0.000 0.758 224 E HN 0.477 8.837 8.360 -0.000 0.000 0.467 225 L N 0.669 121.759 121.223 -0.221 0.000 2.017 225 L HA -0.188 4.150 4.340 -0.002 0.000 0.208 225 L C 2.240 179.023 176.870 -0.145 0.000 1.073 225 L CA 1.348 56.034 54.840 -0.256 0.000 0.745 225 L CB -0.308 41.378 42.059 -0.621 0.000 0.894 225 L HN -0.042 8.188 8.230 -0.000 0.000 0.432 226 V N -0.526 119.291 119.914 -0.162 0.000 2.255 226 V HA -0.337 3.782 4.120 -0.002 0.000 0.247 226 V C 2.515 178.598 176.094 -0.020 0.000 1.051 226 V CA 2.102 64.344 62.300 -0.096 0.000 1.018 226 V CB -0.547 31.209 31.823 -0.111 0.000 0.641 226 V HN 0.408 8.598 8.190 -0.000 0.000 0.445 227 L N 0.565 121.798 121.223 0.016 0.000 1.990 227 L HA -0.248 4.090 4.340 -0.002 0.000 0.213 227 L C 2.725 179.637 176.870 0.070 0.000 1.072 227 L CA 2.295 57.174 54.840 0.064 0.000 0.755 227 L CB -0.652 41.477 42.059 0.116 0.000 0.889 227 L HN 0.582 8.812 8.230 -0.000 0.000 0.432 228 S N -0.836 114.910 115.700 0.078 0.000 2.348 228 S HA -0.113 4.355 4.470 -0.002 0.000 0.219 228 S C 1.860 176.552 174.600 0.154 0.000 1.033 228 S CA 0.981 59.254 58.200 0.121 0.000 0.974 228 S CB -0.379 62.905 63.200 0.139 0.000 0.868 228 S HN 0.321 8.631 8.310 -0.000 0.000 0.459 229 M N 0.879 120.561 119.600 0.136 0.000 2.476 229 M HA 0.310 4.788 4.480 -0.002 0.000 0.262 229 M C 2.257 178.630 176.300 0.123 0.000 1.111 229 M CA 0.955 56.365 55.300 0.183 0.000 1.127 229 M CB -0.198 32.461 32.600 0.099 0.000 1.376 229 M HN 0.573 8.863 8.290 -0.000 0.000 0.465 230 A N -0.196 122.659 122.820 0.057 0.000 2.055 230 A HA 0.267 4.586 4.320 -0.002 0.000 0.205 230 A C 1.725 179.327 177.584 0.031 0.000 1.235 230 A CA 0.131 52.188 52.037 0.034 0.000 0.822 230 A CB 0.083 19.070 19.000 -0.022 0.000 0.903 230 A HN 0.385 8.535 8.150 -0.000 0.000 0.473 231 L N -1.134 120.107 121.223 0.030 0.000 2.616 231 L HA 0.277 4.615 4.340 -0.002 0.000 0.229 231 L C 1.535 178.422 176.870 0.028 0.000 1.110 231 L CA 0.580 55.434 54.840 0.023 0.000 0.884 231 L CB 0.051 42.124 42.059 0.024 0.000 1.115 231 L HN 0.519 8.749 8.230 -0.000 0.000 0.481 232 G N 0.943 109.765 108.800 0.036 0.000 2.160 232 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.251 232 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.251 232 G C 0.117 175.029 174.900 0.020 0.000 1.008 232 G CA 0.107 45.217 45.100 0.017 0.000 0.724 232 G HN 0.166 8.456 8.290 -0.000 0.000 0.514 233 K N -0.070 120.358 120.400 0.045 0.000 2.098 233 K HA 0.332 4.650 4.320 -0.002 0.000 0.261 233 K C 0.271 176.907 176.600 0.060 0.000 0.987 233 K CA -1.300 55.015 56.287 0.047 0.000 0.916 233 K CB 0.804 33.345 32.500 0.068 0.000 1.039 233 K HN 0.121 8.371 8.250 -0.000 0.000 0.455 234 N N 1.410 120.135 118.700 0.042 0.000 3.254 234 N HA 0.054 4.793 4.740 -0.002 0.000 0.308 234 N C -1.402 174.169 175.510 0.102 0.000 1.281 234 N CA -0.035 53.050 53.050 0.058 0.000 1.212 234 N CB -0.225 38.258 38.487 -0.006 0.000 1.478 234 N HN 0.174 8.554 8.380 -0.000 0.000 0.548 235 V N 2.803 122.799 119.914 0.137 0.000 2.409 235 V HA 0.355 4.474 4.120 -0.002 0.000 0.291 235 V C -0.533 175.693 176.094 0.220 0.000 1.020 235 V CA -0.929 61.462 62.300 0.153 0.000 0.848 235 V CB 0.779 32.675 31.823 0.122 0.000 0.990 235 V HN 0.241 8.431 8.190 -0.000 0.000 0.430 236 F N 8.602 128.606 119.950 0.091 0.000 2.371 236 F HA 0.549 5.075 4.527 -0.002 0.000 0.363 236 F C -1.835 174.044 175.800 0.132 0.000 1.122 236 F CA -2.556 55.518 58.000 0.122 0.000 1.129 236 F CB 1.716 40.799 39.000 0.138 0.000 1.173 236 F HN 0.339 8.639 8.300 -0.000 0.000 0.489 237 P HA 0.134 4.554 4.420 -0.000 0.000 0.244 237 P C 0.047 177.295 177.300 -0.088 0.000 1.769 237 P CA 0.162 63.228 63.100 -0.057 0.000 1.102 237 P CB 0.634 32.338 31.700 0.007 0.000 1.937 238 A N 2.511 125.355 122.820 0.039 0.000 2.121 238 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 238 A C 1.719 179.371 177.584 0.113 0.000 1.154 238 A CA 1.121 53.237 52.037 0.130 0.000 0.679 238 A CB -0.548 18.611 19.000 0.265 0.000 0.795 238 A HN 0.281 8.431 8.150 -0.000 0.000 0.458 239 D N 0.404 120.894 120.400 0.149 0.000 2.312 239 D HA -0.070 4.569 4.640 -0.002 0.000 0.211 239 D C 0.292 176.574 176.300 -0.031 0.000 0.964 239 D CA 0.305 54.357 54.000 0.086 0.000 0.877 239 D CB -0.173 40.709 40.800 0.136 0.000 0.924 239 D HN 0.483 8.853 8.370 -0.000 0.000 0.515 240 D N 0.881 121.335 120.400 0.090 0.000 2.458 240 D HA -0.053 4.586 4.640 -0.002 0.000 0.243 240 D C 1.262 177.544 176.300 -0.029 0.000 1.146 240 D CA -0.131 53.880 54.000 0.018 0.000 0.877 240 D CB 1.422 42.448 40.800 0.377 0.000 1.176 240 D HN -0.017 8.353 8.370 -0.000 0.000 0.461 241 L N 3.990 125.146 121.223 -0.112 0.000 2.156 241 L HA 0.004 4.343 4.340 -0.002 0.000 0.208 241 L C 2.500 179.378 176.870 0.012 0.000 1.095 241 L CA 1.396 56.197 54.840 -0.065 0.000 0.770 241 L CB -0.194 41.797 42.059 -0.114 0.000 0.914 241 L HN 0.673 8.903 8.230 -0.000 0.000 0.439 242 G N -0.979 107.859 108.800 0.064 0.000 2.421 242 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.216 242 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.216 242 G C 1.560 176.525 174.900 0.108 0.000 1.171 242 G CA 1.000 46.168 45.100 0.112 0.000 0.775 242 G HN 0.211 8.501 8.290 -0.000 0.000 0.543 243 V N 0.692 120.650 119.914 0.073 0.000 2.287 243 V HA -0.208 3.911 4.120 -0.002 0.000 0.248 243 V C 2.943 179.120 176.094 0.138 0.000 1.053 243 V CA 2.221 64.534 62.300 0.021 0.000 1.027 243 V CB -0.524 31.230 31.823 -0.115 0.000 0.646 243 V HN 0.309 8.499 8.190 -0.000 0.000 0.447 244 R N -0.547 120.016 120.500 0.105 0.000 2.091 244 R HA -0.138 4.201 4.340 -0.002 0.000 0.238 244 R C 2.580 178.954 176.300 0.123 0.000 1.136 244 R CA 1.558 57.723 56.100 0.109 0.000 0.959 244 R CB -0.347 29.980 30.300 0.045 0.000 0.856 244 R HN 0.476 8.746 8.270 -0.000 0.000 0.437 245 R N 0.141 120.704 120.500 0.105 0.000 2.080 245 R HA -0.119 4.219 4.340 -0.002 0.000 0.236 245 R C 2.399 178.815 176.300 0.194 0.000 1.137 245 R CA 1.552 57.720 56.100 0.114 0.000 0.943 245 R CB -0.490 29.854 30.300 0.074 0.000 0.846 245 R HN 0.219 8.489 8.270 -0.000 0.000 0.431 246 A N 0.660 123.624 122.820 0.241 0.000 1.865 246 A HA -0.156 4.163 4.320 -0.002 0.000 0.217 246 A C 2.394 180.186 177.584 0.345 0.000 1.191 246 A CA 1.765 54.029 52.037 0.379 0.000 0.623 246 A CB -0.745 18.478 19.000 0.373 0.000 0.826 246 A HN 0.151 8.301 8.150 -0.000 0.000 0.444 247 V N -0.081 120.048 119.914 0.358 0.000 2.343 247 V HA -0.226 3.893 4.120 -0.002 0.000 0.247 247 V C 2.809 179.208 176.094 0.508 0.000 1.051 247 V CA 2.323 64.912 62.300 0.482 0.000 1.036 247 V CB -0.819 31.298 31.823 0.490 0.000 0.654 247 V HN 0.578 8.768 8.190 -0.000 0.000 0.451 248 S N -0.624 115.303 115.700 0.378 0.000 2.356 248 S HA -0.241 4.227 4.470 -0.002 0.000 0.223 248 S C 2.109 176.906 174.600 0.329 0.000 1.032 248 S CA 1.765 60.184 58.200 0.365 0.000 1.005 248 S CB -0.392 62.911 63.200 0.171 0.000 0.867 248 S HN 0.513 8.823 8.310 -0.000 0.000 0.449 249 R N 0.733 121.390 120.500 0.262 0.000 2.091 249 R HA -0.054 4.285 4.340 -0.002 0.000 0.238 249 R C 2.180 178.584 176.300 0.173 0.000 1.136 249 R CA 1.227 57.463 56.100 0.226 0.000 0.959 249 R CB -0.353 30.123 30.300 0.294 0.000 0.856 249 R HN 0.362 8.632 8.270 -0.000 0.000 0.437 250 L N -1.247 120.047 121.223 0.119 0.000 2.027 250 L HA -0.156 4.183 4.340 -0.002 0.000 0.206 250 L C 1.646 178.330 176.870 -0.310 0.000 1.074 250 L CA 1.329 56.061 54.840 -0.179 0.000 0.745 250 L CB -0.247 41.577 42.059 -0.392 0.000 0.898 250 L HN 0.250 8.480 8.230 -0.000 0.000 0.433 251 Y N -2.997 117.330 120.300 0.045 0.000 2.442 251 Y HA 0.163 4.711 4.550 -0.002 0.000 0.250 251 Y C 0.877 176.458 175.900 -0.532 0.000 1.113 251 Y CA -0.124 57.831 58.100 -0.242 0.000 1.273 251 Y CB 0.490 38.741 38.460 -0.348 0.000 1.138 251 Y HN -0.026 8.254 8.280 -0.000 0.000 0.522 252 F N -0.778 119.269 119.950 0.161 0.000 2.815 252 F HA 0.250 4.775 4.527 -0.003 0.000 0.323 252 F C 0.438 176.281 175.800 0.071 0.000 1.151 252 F CA -0.844 57.220 58.000 0.106 0.000 1.191 252 F CB -0.102 38.958 39.000 0.099 0.000 1.069 252 F HN -0.145 8.155 8.300 -0.000 0.000 0.514 253 N N 1.242 120.040 118.700 0.163 0.000 2.735 253 N HA -0.194 4.545 4.740 -0.002 0.000 0.248 253 N C 1.137 176.715 175.510 0.112 0.000 1.083 253 N CA 1.010 54.124 53.050 0.107 0.000 0.703 253 N CB -0.890 37.645 38.487 0.080 0.000 1.005 253 N HN 0.724 9.104 8.380 -0.000 0.000 0.550 254 G N -1.398 107.486 108.800 0.140 0.000 2.184 254 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.264 254 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.264 254 G C -0.411 174.545 174.900 0.093 0.000 0.975 254 G CA 0.497 45.660 45.100 0.105 0.000 0.642 254 G HN 0.489 8.779 8.290 -0.000 0.000 0.536 255 E N 0.260 120.532 120.200 0.121 0.000 2.129 255 E HA 0.350 4.698 4.350 -0.002 0.000 0.283 255 E C 0.560 177.188 176.600 0.046 0.000 1.080 255 E CA -0.868 55.580 56.400 0.080 0.000 0.867 255 E CB 1.339 31.094 29.700 0.092 0.000 1.056 255 E HN 0.411 8.771 8.360 -0.000 0.000 0.404 256 I N 3.961 124.539 120.570 0.013 0.000 2.742 256 I HA -0.169 4.000 4.170 -0.002 0.000 0.287 256 I C 0.036 176.102 176.117 -0.085 0.000 1.186 256 I CA 0.513 61.803 61.300 -0.017 0.000 1.417 256 I CB 0.073 38.067 38.000 -0.011 0.000 1.377 256 I HN 0.207 8.417 8.210 -0.000 0.000 0.556 257 Q N 5.408 125.120 119.800 -0.146 0.000 2.215 257 Q HA 0.405 4.743 4.340 -0.002 0.000 0.256 257 Q C 0.117 176.030 176.000 -0.146 0.000 0.972 257 Q CA -0.542 55.108 55.803 -0.254 0.000 0.889 257 Q CB 1.496 29.896 28.738 -0.563 0.000 1.281 257 Q HN 0.802 9.072 8.270 -0.000 0.000 0.456 258 S N -0.358 115.260 115.700 -0.137 0.000 2.580 258 S HA 0.226 4.694 4.470 -0.002 0.000 0.266 258 S C 1.148 175.720 174.600 -0.046 0.000 1.354 258 S CA 0.036 58.192 58.200 -0.074 0.000 1.008 258 S CB 0.754 63.916 63.200 -0.063 0.000 0.898 258 S HN 0.681 8.991 8.310 -0.000 0.000 0.555 259 A N 1.551 124.366 122.820 -0.008 0.000 1.940 259 A HA -0.159 4.160 4.320 -0.002 0.000 0.219 259 A C 2.115 179.719 177.584 0.034 0.000 1.176 259 A CA 1.794 53.850 52.037 0.033 0.000 0.631 259 A CB -1.269 17.759 19.000 0.047 0.000 0.814 259 A HN 1.043 9.193 8.150 -0.000 0.000 0.446 260 E N -0.229 119.975 120.200 0.007 0.000 2.110 260 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 260 E C 1.878 178.468 176.600 -0.018 0.000 0.988 260 E CA 1.422 57.823 56.400 0.002 0.000 0.804 260 E CB -0.222 29.476 29.700 -0.004 0.000 0.745 260 E HN 0.446 8.806 8.360 -0.000 0.000 0.458 261 K N 1.152 121.521 120.400 -0.052 0.000 2.025 261 K HA -0.073 4.245 4.320 -0.002 0.000 0.207 261 K C 2.050 178.618 176.600 -0.053 0.000 1.049 261 K CA 1.149 57.386 56.287 -0.085 0.000 0.933 261 K CB -0.449 31.919 32.500 -0.221 0.000 0.714 261 K HN 0.091 8.341 8.250 -0.000 0.000 0.438 262 V N 0.824 120.722 119.914 -0.026 0.000 2.343 262 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 262 V C 2.388 178.503 176.094 0.035 0.000 1.051 262 V CA 1.957 64.294 62.300 0.062 0.000 1.036 262 V CB -0.438 31.480 31.823 0.159 0.000 0.654 262 V HN 0.318 8.508 8.190 -0.000 0.000 0.451 263 R N -0.476 120.059 120.500 0.059 0.000 2.105 263 R HA -0.213 4.126 4.340 -0.002 0.000 0.239 263 R C 2.436 178.680 176.300 -0.092 0.000 1.135 263 R CA 1.846 57.965 56.100 0.031 0.000 0.967 263 R CB -0.232 30.103 30.300 0.058 0.000 0.861 263 R HN 0.650 8.920 8.270 -0.000 0.000 0.442 264 E N 0.436 120.584 120.200 -0.086 0.000 2.047 264 E HA -0.188 4.161 4.350 -0.002 0.000 0.191 264 E C 1.913 178.384 176.600 -0.214 0.000 0.987 264 E CA 0.878 57.211 56.400 -0.111 0.000 0.799 264 E CB 0.123 29.788 29.700 -0.058 0.000 0.752 264 E HN 0.154 8.514 8.360 -0.000 0.000 0.449 265 I N 1.529 121.942 120.570 -0.261 0.000 2.118 265 I HA -0.295 3.874 4.170 -0.002 0.000 0.241 265 I C 2.611 178.197 176.117 -0.885 0.000 1.070 265 I CA 1.502 62.492 61.300 -0.517 0.000 1.327 265 I CB -1.574 36.133 38.000 -0.489 0.000 1.034 265 I HN 0.171 8.381 8.210 -0.000 0.000 0.405 266 A N 0.868 123.105 122.820 -0.971 0.000 1.865 266 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 266 A C 2.456 179.709 177.584 -0.553 0.000 1.191 266 A CA 1.806 53.141 52.037 -1.169 0.000 0.623 266 A CB -0.706 17.662 19.000 -1.053 0.000 0.826 266 A HN 0.369 8.519 8.150 -0.000 0.000 0.444 267 R N -0.418 119.884 120.500 -0.329 0.000 2.091 267 R HA -0.176 4.162 4.340 -0.002 0.000 0.238 267 R C 2.126 178.336 176.300 -0.150 0.000 1.136 267 R CA 1.807 57.803 56.100 -0.173 0.000 0.959 267 R CB -0.381 29.849 30.300 -0.116 0.000 0.856 267 R HN 0.719 8.989 8.270 -0.000 0.000 0.437 268 E N -0.442 119.630 120.200 -0.213 0.000 2.112 268 E HA -0.060 4.289 4.350 -0.002 0.000 0.190 268 E C 1.941 178.468 176.600 -0.121 0.000 0.979 268 E CA 0.656 56.962 56.400 -0.156 0.000 0.814 268 E CB 0.251 29.842 29.700 -0.182 0.000 0.762 268 E HN 0.165 8.525 8.360 -0.000 0.000 0.460 269 R N -0.836 119.535 120.500 -0.215 0.000 2.316 269 R HA 0.139 4.478 4.340 -0.002 0.000 0.201 269 R C 1.403 177.964 176.300 0.436 0.000 0.888 269 R CA 0.383 56.470 56.100 -0.022 0.000 1.041 269 R CB 0.268 30.460 30.300 -0.179 0.000 1.115 269 R HN 0.161 8.431 8.270 -0.000 0.000 0.559 270 F N 0.411 120.428 119.950 0.111 0.000 2.622 270 F HA 0.344 4.869 4.527 -0.002 0.000 0.288 270 F C 1.828 177.680 175.800 0.086 0.000 1.120 270 F CA -0.123 57.977 58.000 0.166 0.000 1.423 270 F CB -0.980 37.960 39.000 -0.100 0.000 1.127 270 F HN 0.165 8.465 8.300 -0.000 0.000 0.588 271 G N 2.411 111.339 108.800 0.214 0.000 2.684 271 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.332 271 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.332 271 G C 1.466 176.279 174.900 -0.144 0.000 1.306 271 G CA 1.158 46.278 45.100 0.033 0.000 1.002 271 G HN 0.478 8.768 8.290 -0.000 0.000 0.545 272 R N -0.094 120.189 120.500 -0.361 0.000 2.280 272 R HA 0.198 4.536 4.340 -0.002 0.000 0.207 272 R C 1.749 177.645 176.300 -0.673 0.000 1.043 272 R CA 1.862 57.651 56.100 -0.519 0.000 1.006 272 R CB -0.226 29.689 30.300 -0.641 0.000 0.885 272 R HN 0.388 8.658 8.270 -0.000 0.000 0.467 273 F N 0.758 120.477 119.950 -0.386 0.000 2.641 273 F HA 0.431 4.957 4.527 -0.003 0.000 0.302 273 F C 2.113 177.834 175.800 -0.132 0.000 1.098 273 F CA -0.351 57.456 58.000 -0.321 0.000 1.318 273 F CB 0.484 39.161 39.000 -0.538 0.000 1.035 273 F HN 0.075 8.375 8.300 -0.000 0.000 0.551 274 A N 0.494 123.363 122.820 0.081 0.000 1.917 274 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 274 A C 2.468 180.236 177.584 0.306 0.000 1.182 274 A CA 1.785 53.947 52.037 0.209 0.000 0.633 274 A CB -0.602 18.531 19.000 0.221 0.000 0.819 274 A HN 0.351 8.501 8.150 -0.000 0.000 0.448 275 R N -0.508 120.124 120.500 0.219 0.000 2.115 275 R HA -0.127 4.211 4.340 -0.002 0.000 0.230 275 R C 1.398 177.809 176.300 0.185 0.000 1.111 275 R CA 1.601 57.832 56.100 0.218 0.000 0.976 275 R CB -0.265 30.103 30.300 0.113 0.000 0.870 275 R HN 0.612 8.882 8.270 -0.000 0.000 0.445 276 D N 0.251 120.727 120.400 0.126 0.000 2.103 276 D HA -0.133 4.506 4.640 -0.002 0.000 0.199 276 D C 1.966 178.431 176.300 0.275 0.000 0.978 276 D CA 1.213 55.281 54.000 0.113 0.000 0.829 276 D CB -0.072 40.804 40.800 0.128 0.000 0.981 276 D HN 0.271 8.641 8.370 -0.000 0.000 0.464 277 I N 1.129 121.802 120.570 0.172 0.000 2.264 277 I HA -0.248 3.921 4.170 -0.002 0.000 0.248 277 I C 2.475 178.688 176.117 0.160 0.000 1.111 277 I CA 0.330 61.667 61.300 0.062 0.000 1.382 277 I CB -0.139 37.634 38.000 -0.379 0.000 1.060 277 I HN -0.019 8.191 8.210 -0.000 0.000 0.418 278 L N 0.574 121.951 121.223 0.257 0.000 2.021 278 L HA -0.269 4.069 4.340 -0.002 0.000 0.215 278 L C 2.228 179.136 176.870 0.064 0.000 1.074 278 L CA 2.135 57.059 54.840 0.140 0.000 0.760 278 L CB -0.745 41.420 42.059 0.178 0.000 0.889 278 L HN 0.044 8.274 8.230 -0.000 0.000 0.433 279 F N -1.323 118.642 119.950 0.025 0.000 2.171 279 F HA -0.206 4.320 4.527 -0.003 0.000 0.300 279 F C 2.265 177.968 175.800 -0.162 0.000 1.090 279 F CA 1.475 59.490 58.000 0.026 0.000 1.293 279 F CB -1.114 37.772 39.000 -0.191 0.000 1.013 279 F HN 0.108 8.408 8.300 -0.000 0.000 0.486 280 Y N -0.246 120.049 120.300 -0.008 0.000 2.224 280 Y HA -0.184 4.365 4.550 -0.002 0.000 0.289 280 Y C 2.344 178.201 175.900 -0.072 0.000 1.146 280 Y CA 1.088 59.104 58.100 -0.140 0.000 1.182 280 Y CB -0.838 37.617 38.460 -0.008 0.000 0.983 280 Y HN -0.008 8.272 8.280 -0.000 0.000 0.524 281 L N -1.956 119.325 121.223 0.095 0.000 2.046 281 L HA -0.220 4.118 4.340 -0.002 0.000 0.208 281 L C 2.087 178.984 176.870 0.044 0.000 1.077 281 L CA 1.085 55.964 54.840 0.065 0.000 0.747 281 L CB -0.702 41.349 42.059 -0.014 0.000 0.896 281 L HN 0.136 8.366 8.230 -0.000 0.000 0.432 282 F N 0.357 120.296 119.950 -0.018 0.000 2.095 282 F HA -0.224 4.301 4.527 -0.002 0.000 0.298 282 F C 2.383 178.003 175.800 -0.299 0.000 1.104 282 F CA 1.220 59.105 58.000 -0.193 0.000 1.232 282 F CB -0.955 37.863 39.000 -0.304 0.000 0.987 282 F HN -0.071 8.229 8.300 -0.000 0.000 0.475 283 L N -1.668 119.460 121.223 -0.158 0.000 2.012 283 L HA -0.295 4.043 4.340 -0.002 0.000 0.210 283 L C 2.429 179.253 176.870 -0.078 0.000 1.073 283 L CA 1.638 56.251 54.840 -0.379 0.000 0.748 283 L CB -0.953 40.456 42.059 -1.084 0.000 0.891 283 L HN 0.111 8.341 8.230 -0.000 0.000 0.431 284 Y N 1.029 121.319 120.300 -0.017 0.000 2.128 284 Y HA -0.360 4.188 4.550 -0.003 0.000 0.284 284 Y C 2.371 178.405 175.900 0.223 0.000 1.154 284 Y CA 2.142 60.438 58.100 0.327 0.000 1.149 284 Y CB -0.358 38.296 38.460 0.323 0.000 0.976 284 Y HN 0.279 8.559 8.280 -0.000 0.000 0.505 285 D N -0.623 119.871 120.400 0.156 0.000 2.117 285 D HA -0.196 4.443 4.640 -0.002 0.000 0.197 285 D C 2.400 178.638 176.300 -0.105 0.000 0.987 285 D CA 1.468 55.478 54.000 0.017 0.000 0.829 285 D CB -0.254 40.592 40.800 0.077 0.000 0.961 285 D HN 0.300 8.670 8.370 -0.000 0.000 0.460 286 R N -1.418 118.949 120.500 -0.222 0.000 2.073 286 R HA -0.059 4.280 4.340 -0.002 0.000 0.229 286 R C 1.161 177.208 176.300 -0.421 0.000 1.120 286 R CA 1.065 56.880 56.100 -0.475 0.000 0.967 286 R CB -0.116 29.648 30.300 -0.894 0.000 0.862 286 R HN 0.217 8.487 8.270 -0.000 0.000 0.436 287 F N -1.939 118.048 119.950 0.062 0.000 2.720 287 F HA 0.241 4.767 4.527 -0.003 0.000 0.301 287 F C 0.096 176.032 175.800 0.227 0.000 1.103 287 F CA -0.262 57.827 58.000 0.148 0.000 1.291 287 F CB 0.614 39.759 39.000 0.240 0.000 1.086 287 F HN -0.119 8.181 8.300 -0.000 0.000 0.592 288 F N 1.816 121.787 119.950 0.035 0.000 2.531 288 F HA 0.520 5.046 4.527 -0.002 0.000 0.333 288 F C 0.085 175.738 175.800 -0.245 0.000 1.292 288 F CA -1.013 56.897 58.000 -0.151 0.000 1.184 288 F CB -0.179 38.629 39.000 -0.321 0.000 1.426 288 F HN 0.003 8.303 8.300 -0.000 0.000 0.559 295 V N 0.000 119.912 119.914 -0.003 0.000 2.409 295 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 295 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 295 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 295 V HN 0.000 8.190 8.190 -0.000 0.000 0.556