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 1c5o_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF GE 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 16 I HA 0.000 4.203 4.170 0.055 0.000 0.288 16 I C 0.000 176.143 176.117 0.044 0.000 1.063 16 I CA 0.000 61.325 61.300 0.041 0.000 1.566 16 I CB 0.000 38.011 38.000 0.019 0.000 1.214 17 V N 5.543 125.488 119.914 0.052 0.000 2.472 17 V HA 0.264 4.561 4.120 0.040 -0.153 0.290 17 V C 0.462 176.586 176.094 0.050 0.000 1.037 17 V CA -1.550 60.778 62.300 0.046 0.000 0.908 17 V CB 1.444 33.294 31.823 0.046 0.000 0.985 17 V HN 0.397 8.624 8.190 0.061 0.000 0.454 18 E N 1.920 122.144 120.200 0.040 0.000 2.360 18 E HA -0.437 3.930 4.350 0.027 0.000 0.238 18 E C -1.112 175.514 176.600 0.043 0.000 1.186 18 E CA 1.217 57.639 56.400 0.037 0.000 0.719 18 E CB -2.336 27.387 29.700 0.038 0.000 1.236 18 E HN 0.926 9.306 8.360 0.034 0.000 0.386 19 G N -4.493 104.329 108.800 0.037 0.000 2.685 19 G HA2 0.458 4.459 3.960 0.041 0.000 0.298 19 G HA3 0.458 4.450 3.960 0.028 -0.015 0.298 19 G C -1.777 173.134 174.900 0.018 0.000 1.277 19 G CA -1.040 44.079 45.100 0.032 0.000 0.986 19 G HN -0.499 7.796 8.290 0.032 0.014 0.487 20 S N -1.206 114.500 115.700 0.010 0.000 2.751 20 S HA 0.302 4.778 4.470 0.011 0.000 0.310 20 S C -1.292 173.307 174.600 -0.003 0.000 1.128 20 S CA -1.418 56.787 58.200 0.008 0.000 0.931 20 S CB 2.874 66.082 63.200 0.013 0.000 1.177 20 S HN 0.397 8.713 8.310 0.009 0.000 0.530 21 D N 0.644 121.048 120.400 0.007 0.000 2.399 21 D HA -0.003 4.885 4.640 -0.020 -0.260 0.241 21 D C 0.077 176.390 176.300 0.022 0.000 1.133 21 D CA 0.916 54.921 54.000 0.009 0.000 0.890 21 D CB 0.565 41.388 40.800 0.039 0.000 1.201 21 D HN 0.118 8.496 8.370 0.014 0.000 0.432 22 A N 3.032 125.871 122.820 0.031 0.000 2.249 22 A HA 0.059 4.375 4.320 -0.007 0.000 0.281 22 A C -0.761 176.895 177.584 0.119 0.000 1.127 22 A CA -0.799 51.261 52.037 0.039 0.000 0.833 22 A CB 1.944 20.941 19.000 -0.005 0.000 1.140 22 A HN 0.444 8.595 8.150 0.002 0.000 0.502 23 E N -1.537 118.683 120.200 0.034 0.000 2.212 23 E HA 0.168 4.519 4.350 0.001 0.000 0.270 23 E C -0.862 175.694 176.600 -0.073 0.000 0.956 23 E CA -1.967 54.425 56.400 -0.014 0.000 0.825 23 E CB 1.706 31.382 29.700 -0.040 0.000 1.167 23 E HN 0.105 8.455 8.360 -0.017 0.000 0.400 24 I N 0.968 121.437 120.570 -0.168 0.000 2.752 24 I HA -0.194 3.799 4.170 -0.295 0.000 0.287 24 I C 1.199 177.275 176.117 -0.068 0.000 1.188 24 I CA 1.059 62.243 61.300 -0.192 0.000 1.427 24 I CB -0.114 37.786 38.000 -0.165 0.000 1.365 24 I HN 0.180 8.297 8.210 -0.155 0.000 0.585 25 G N 4.364 113.156 108.800 -0.014 0.000 2.225 25 G HA2 -0.367 3.537 3.960 -0.093 0.000 0.267 25 G HA3 -0.367 3.510 3.960 -0.137 0.000 0.267 25 G C -1.191 173.570 174.900 -0.232 0.000 1.024 25 G CA 0.679 45.712 45.100 -0.112 0.000 0.784 25 G HN 0.147 8.470 8.290 0.056 0.000 0.507 26 M N -0.830 118.627 119.600 -0.238 0.000 2.325 26 M HA -0.036 4.272 4.480 -0.286 0.000 0.265 26 M C -1.087 174.860 176.300 -0.588 0.000 1.094 26 M CA 2.071 57.180 55.300 -0.317 0.000 1.161 26 M CB 1.738 34.215 32.600 -0.206 0.000 1.358 26 M HN -0.562 7.595 8.290 -0.167 0.033 0.446 27 S N -2.190 113.138 115.700 -0.620 0.000 2.078 27 S HA 0.498 4.005 4.470 -1.606 0.000 0.168 27 S C -1.664 172.269 174.600 -1.111 0.000 1.542 27 S CA -2.172 55.396 58.200 -1.052 0.000 1.223 27 S CB 0.235 63.093 63.200 -0.570 0.000 1.152 27 S HN 0.027 8.090 8.310 -0.411 0.000 0.452 28 P HA -0.004 4.376 4.420 -0.278 -0.126 0.220 28 P C 0.333 177.461 177.300 -0.287 0.000 1.144 28 P CA 1.879 64.665 63.100 -0.523 0.000 0.800 28 P CB -0.008 31.470 31.700 -0.371 0.000 0.772 29 W N -5.850 115.446 121.300 -0.006 0.000 3.290 29 W HA 0.260 5.002 4.660 0.022 -0.068 0.287 29 W C -1.040 175.504 176.519 0.042 0.000 1.288 29 W CA -3.262 54.090 57.345 0.011 0.000 1.725 29 W CB -1.707 27.744 29.460 -0.015 0.000 1.103 29 W HN -0.503 6.508 8.180 -1.844 0.063 0.670 30 Q N 2.107 121.919 119.800 0.021 0.000 2.304 30 Q HA 0.217 4.808 4.340 0.226 -0.116 0.260 30 Q C -1.067 175.065 176.000 0.221 0.000 0.965 30 Q CA 0.309 56.184 55.803 0.119 0.000 0.898 30 Q CB 0.679 29.366 28.738 -0.085 0.000 1.196 30 Q HN -0.120 7.792 8.270 -0.296 0.181 0.402 31 V N 5.048 125.124 119.914 0.269 0.000 3.019 31 V HA 0.442 4.850 4.120 0.278 -0.122 0.317 31 V C -1.037 175.300 176.094 0.405 0.000 1.094 31 V CA -2.037 60.438 62.300 0.293 0.000 1.000 31 V CB 3.390 35.350 31.823 0.228 0.000 1.060 31 V HN 0.566 8.905 8.190 0.248 0.000 0.443 32 M N 2.553 122.346 119.600 0.321 0.000 2.395 32 M HA 0.409 5.165 4.480 0.459 0.000 0.307 32 M C -2.183 174.241 176.300 0.206 0.000 1.091 32 M CA -1.030 54.452 55.300 0.302 0.000 0.919 32 M CB 3.913 36.505 32.600 -0.014 0.000 1.662 32 M HN -0.114 8.309 8.290 0.222 0.000 0.440 33 L N 4.903 126.251 121.223 0.208 0.000 2.282 33 L HA 0.491 5.050 4.340 0.163 -0.121 0.288 33 L C -2.009 174.989 176.870 0.213 0.000 1.033 33 L CA -0.966 53.976 54.840 0.170 0.000 0.807 33 L CB 1.615 43.745 42.059 0.118 0.000 1.209 33 L HN 0.661 9.027 8.230 0.227 0.000 0.423 34 F N 4.920 124.879 119.950 0.014 0.000 2.546 34 F HA 0.641 5.290 4.527 -0.008 -0.127 0.320 34 F C -2.259 173.539 175.800 -0.004 0.000 1.076 34 F CA -1.961 56.035 58.000 -0.006 0.000 0.928 34 F CB 4.489 43.474 39.000 -0.023 0.000 1.189 34 F HN 0.866 9.322 8.300 0.261 0.000 0.465 35 R N 3.460 123.662 120.500 -0.497 0.000 2.583 35 R HA 0.557 4.940 4.340 -0.141 -0.128 0.212 35 R C 0.384 176.463 176.300 -0.368 0.000 1.350 35 R CA -2.194 53.718 56.100 -0.313 0.000 0.985 35 R CB 2.724 32.857 30.300 -0.278 0.000 2.068 35 R HN 0.652 8.393 8.270 -0.880 0.000 0.516 36 S N 0.073 115.716 115.700 -0.095 0.000 2.533 36 S HA 0.129 4.547 4.470 -0.087 0.000 0.282 36 S C -1.044 173.501 174.600 -0.092 0.000 1.304 36 S CA -0.914 57.237 58.200 -0.083 0.000 1.063 36 S CB 0.112 63.282 63.200 -0.051 0.000 0.881 36 S HN -0.253 8.009 8.310 -0.081 0.000 0.493 37 P HA -0.073 4.297 4.420 -0.084 0.000 0.267 37 P C -1.700 175.478 177.300 -0.203 0.000 1.201 37 P CA -0.228 62.806 63.100 -0.110 0.000 0.775 37 P CB 0.565 32.214 31.700 -0.085 0.000 0.854 38 Q N 0.737 120.416 119.800 -0.202 0.000 2.381 38 Q HA 0.021 4.264 4.340 -0.682 -0.312 0.243 38 Q C -0.901 174.809 176.000 -0.483 0.000 1.154 38 Q CA 0.063 55.617 55.803 -0.415 0.000 0.899 38 Q CB -0.004 28.720 28.738 -0.023 0.000 1.396 38 Q HN 0.278 8.480 8.270 -0.114 0.000 0.485 39 E N 2.077 121.840 120.200 -0.728 0.000 2.383 39 E HA 0.250 4.484 4.350 -0.193 0.000 0.275 39 E C -2.378 174.007 176.600 -0.358 0.000 0.918 39 E CA -2.360 53.813 56.400 -0.378 0.000 0.764 39 E CB 2.973 32.563 29.700 -0.184 0.000 1.252 39 E HN -0.195 7.633 8.360 -0.887 0.000 0.449 40 L N 0.534 121.729 121.223 -0.047 0.000 2.439 40 L HA 0.046 4.609 4.340 0.168 -0.122 0.269 40 L C -1.265 175.622 176.870 0.029 0.000 1.179 40 L CA 1.070 55.962 54.840 0.088 0.000 0.828 40 L CB 0.773 42.916 42.059 0.141 0.000 1.106 40 L HN 0.180 8.414 8.230 0.007 0.000 0.467 41 L N 5.658 126.918 121.223 0.061 0.000 2.666 41 L HA 0.104 4.459 4.340 0.026 0.000 0.184 41 L C -0.673 176.244 176.870 0.079 0.000 1.092 41 L CA 0.564 55.430 54.840 0.043 0.000 0.857 41 L CB 2.922 44.990 42.059 0.014 0.000 1.281 41 L HN 0.243 8.538 8.230 0.108 0.000 0.489 42 c N -5.277 113.387 118.600 0.107 0.000 3.316 42 c HA 0.214 4.861 4.570 0.128 0.000 0.360 42 c C -1.856 172.346 174.090 0.186 0.000 1.560 42 c CA -0.762 55.639 56.329 0.120 0.000 1.229 42 c CB 3.959 46.500 42.510 0.052 0.000 1.823 42 c HN -0.799 7.502 8.230 0.119 0.000 0.440 43 G N -1.967 106.941 108.800 0.181 0.000 2.667 43 G HA2 0.815 5.096 3.960 0.315 0.000 0.310 43 G HA3 0.815 4.895 3.960 0.198 0.000 0.310 43 G C -3.148 171.862 174.900 0.184 0.000 1.259 43 G CA -1.601 43.635 45.100 0.227 0.000 1.019 43 G HN 0.413 8.787 8.290 0.139 0.000 0.496 44 A N -3.508 119.432 122.820 0.200 0.000 2.540 44 A HA 1.003 5.719 4.320 0.172 -0.293 0.291 44 A C -2.407 175.305 177.584 0.214 0.000 1.083 44 A CA -0.418 51.732 52.037 0.188 0.000 0.650 44 A CB 2.671 21.777 19.000 0.177 0.000 1.292 44 A HN -0.422 7.861 8.150 0.221 0.000 0.435 45 S N -2.374 113.454 115.700 0.215 0.000 2.599 45 S HA 1.105 5.993 4.470 0.293 -0.242 0.294 45 S C -0.834 173.902 174.600 0.225 0.000 1.094 45 S CA -2.193 56.152 58.200 0.242 0.000 0.931 45 S CB 3.775 67.091 63.200 0.192 0.000 1.093 45 S HN 0.405 8.837 8.310 0.202 0.000 0.488 46 L N 2.498 123.867 121.223 0.243 0.000 2.282 46 L HA 0.538 5.147 4.340 0.216 -0.139 0.288 46 L C -0.528 176.435 176.870 0.156 0.000 1.033 46 L CA -0.775 54.192 54.840 0.211 0.000 0.807 46 L CB 2.084 44.272 42.059 0.215 0.000 1.209 46 L HN 0.107 8.524 8.230 0.311 0.000 0.423 47 I N -0.830 119.836 120.570 0.159 0.000 4.032 47 I HA 0.491 4.681 4.170 0.032 0.000 0.313 47 I C -0.860 175.317 176.117 0.100 0.000 1.272 47 I CA -0.442 60.915 61.300 0.095 0.000 1.307 47 I CB 2.104 40.165 38.000 0.102 0.000 1.155 47 I HN 0.471 8.812 8.210 0.218 0.000 0.431 48 S N -1.049 114.774 115.700 0.204 0.000 2.705 48 S HA 0.231 4.817 4.470 0.194 0.000 0.280 48 S C -0.621 174.198 174.600 0.365 0.000 1.174 48 S CA -0.906 57.452 58.200 0.262 0.000 0.823 48 S CB 2.565 65.953 63.200 0.313 0.000 1.162 48 S HN -0.860 7.606 8.310 0.260 0.000 0.487 49 D N -3.104 117.549 120.400 0.421 0.000 2.378 49 D HA -0.074 4.886 4.640 0.534 0.000 0.227 49 D C 0.089 176.486 176.300 0.161 0.000 1.012 49 D CA 1.870 56.070 54.000 0.334 0.000 0.905 49 D CB -0.847 39.987 40.800 0.057 0.000 0.895 49 D HN 0.451 9.056 8.370 0.391 0.000 0.532 50 R N -2.986 117.602 120.500 0.146 0.000 2.521 50 R HA 0.307 4.594 4.340 -0.089 0.000 0.289 50 R C -1.812 174.342 176.300 -0.243 0.000 0.936 50 R CA -0.059 55.978 56.100 -0.105 0.000 1.089 50 R CB 2.366 32.492 30.300 -0.289 0.000 1.348 50 R HN -0.441 7.922 8.270 0.275 0.072 0.536 51 W N -1.827 119.538 121.300 0.108 0.000 2.587 51 W HA 0.642 5.558 4.660 0.106 -0.191 0.324 51 W C -1.365 175.222 176.519 0.112 0.000 1.040 51 W CA -0.724 56.682 57.345 0.101 0.000 1.222 51 W CB 2.548 32.050 29.460 0.071 0.000 1.381 51 W HN -0.561 7.843 8.180 0.374 0.000 0.483 52 V N 2.114 122.233 119.914 0.341 0.000 2.667 52 V HA 0.857 5.316 4.120 0.249 -0.190 0.308 52 V C -1.848 174.418 176.094 0.287 0.000 1.048 52 V CA -1.438 61.020 62.300 0.263 0.000 0.928 52 V CB 3.031 34.971 31.823 0.195 0.000 1.004 52 V HN 1.097 9.489 8.190 0.337 0.000 0.444 53 L N 6.432 127.800 121.223 0.242 0.000 2.325 53 L HA 0.791 5.423 4.340 0.266 -0.133 0.281 53 L C -1.818 175.171 176.870 0.199 0.000 1.004 53 L CA -1.191 53.789 54.840 0.233 0.000 0.823 53 L CB 3.154 45.339 42.059 0.210 0.000 1.236 53 L HN 0.762 9.126 8.230 0.223 0.000 0.415 54 T N 6.397 121.060 114.554 0.182 0.000 2.669 54 T HA 0.595 5.211 4.350 0.134 -0.186 0.283 54 T C -2.105 172.645 174.700 0.083 0.000 1.019 54 T CA -2.917 59.257 62.100 0.124 0.000 1.039 54 T CB 3.028 71.953 68.868 0.094 0.000 1.374 54 T HN 0.700 9.064 8.240 0.206 0.000 0.523 55 A N 0.330 123.151 122.820 0.001 0.000 2.289 55 A HA 0.429 4.909 4.320 0.009 -0.155 0.298 55 A C 0.398 177.859 177.584 -0.206 0.000 1.208 55 A CA -1.716 50.282 52.037 -0.066 0.000 0.845 55 A CB 1.076 20.021 19.000 -0.091 0.000 1.125 55 A HN 0.451 8.592 8.150 -0.015 0.000 0.517 56 A N 5.774 128.436 122.820 -0.263 0.000 1.986 56 A HA -0.349 3.805 4.320 -0.276 0.000 0.220 56 A C 0.626 177.937 177.584 -0.455 0.000 1.171 56 A CA 2.974 54.723 52.037 -0.481 0.000 0.640 56 A CB -0.368 17.995 19.000 -1.062 0.000 0.811 56 A HN 0.581 8.606 8.150 -0.202 0.004 0.451 57 H N -6.043 112.871 119.070 -0.260 0.000 2.562 57 H HA 0.002 4.818 4.556 0.109 -0.194 0.274 57 H C 0.597 175.942 175.328 0.027 0.000 1.038 57 H CA 0.454 56.517 56.048 0.025 0.000 1.161 57 H CB -2.166 27.707 29.762 0.185 0.000 1.318 57 H HN -0.199 8.290 8.280 -0.144 -0.295 0.617 58 c N -2.105 116.287 118.600 -0.347 0.000 2.634 58 c HA 0.094 4.577 4.570 -0.146 0.000 0.268 58 c C -0.357 173.688 174.090 -0.076 0.000 1.322 58 c CA 0.858 57.069 56.329 -0.198 0.000 1.737 58 c CB -0.429 41.976 42.510 -0.175 0.000 1.976 58 c HN -0.411 7.412 8.230 -0.356 0.194 0.547 59 L N -2.509 118.671 121.223 -0.072 0.000 2.304 59 L HA 0.274 4.596 4.340 -0.030 0.000 0.268 59 L C -0.277 176.581 176.870 -0.020 0.000 1.010 59 L CA -1.020 53.798 54.840 -0.036 0.000 0.813 59 L CB 1.734 43.775 42.059 -0.031 0.000 1.315 59 L HN -0.396 7.606 8.230 -0.113 0.160 0.445 60 T N 1.190 115.723 114.554 -0.036 0.000 2.950 60 T HA 0.360 4.682 4.350 -0.046 0.000 0.288 60 T C 0.822 175.499 174.700 -0.039 0.000 1.035 60 T CA -1.575 60.500 62.100 -0.041 0.000 1.028 60 T CB 1.887 70.731 68.868 -0.040 0.000 1.109 60 T HN 0.124 8.643 8.240 -0.035 -0.300 0.514 61 E N 3.780 123.950 120.200 -0.050 0.000 2.110 61 E HA -0.574 3.750 4.350 -0.044 0.000 0.225 61 E C 1.916 178.498 176.600 -0.031 0.000 1.063 61 E CA 3.975 60.347 56.400 -0.046 0.000 0.906 61 E CB -0.872 28.792 29.700 -0.060 0.000 0.795 61 E HN 0.545 8.868 8.360 -0.062 0.000 0.479 62 N N -2.508 116.173 118.700 -0.032 0.000 2.493 62 N HA -0.288 4.439 4.740 -0.021 0.000 0.191 62 N C 0.098 175.595 175.510 -0.021 0.000 1.041 62 N CA 2.426 55.461 53.050 -0.025 0.000 0.904 62 N CB -0.750 37.721 38.487 -0.026 0.000 0.948 62 N HN 0.258 8.615 8.380 -0.038 0.000 0.446 63 D N -2.978 117.407 120.400 -0.024 0.000 2.379 63 D HA 0.128 4.751 4.640 -0.029 0.000 0.208 63 D C -1.085 175.202 176.300 -0.022 0.000 1.065 63 D CA 0.554 54.538 54.000 -0.027 0.000 0.848 63 D CB 0.943 41.722 40.800 -0.035 0.000 0.949 63 D HN -0.040 8.099 8.370 -0.026 0.216 0.509 64 L N -2.198 119.022 121.223 -0.005 0.000 2.301 64 L HA 0.654 5.127 4.340 0.011 -0.126 0.264 64 L C -1.653 175.247 176.870 0.051 0.000 1.016 64 L CA -1.177 53.674 54.840 0.019 0.000 0.821 64 L CB 3.974 46.045 42.059 0.021 0.000 1.346 64 L HN -0.263 7.858 8.230 -0.007 0.104 0.429 65 L N -2.172 119.111 121.223 0.100 0.000 2.371 65 L HA 0.621 5.127 4.340 0.079 -0.118 0.262 65 L C -1.790 175.158 176.870 0.131 0.000 1.006 65 L CA -1.440 53.473 54.840 0.121 0.000 0.818 65 L CB 5.020 47.192 42.059 0.189 0.000 1.354 65 L HN 0.522 8.823 8.230 0.119 0.000 0.415 66 V N 2.017 121.989 119.914 0.097 0.000 2.448 66 V HA 0.429 4.764 4.120 0.122 -0.142 0.295 66 V C -1.664 174.474 176.094 0.073 0.000 1.025 66 V CA -1.048 61.311 62.300 0.099 0.000 0.859 66 V CB 2.592 34.468 31.823 0.087 0.000 0.988 66 V HN 0.340 8.576 8.190 0.077 0.000 0.431 67 R N 7.478 128.012 120.500 0.057 0.000 2.310 67 R HA 0.661 5.179 4.340 -0.004 -0.180 0.324 67 R C -0.820 175.505 176.300 0.042 0.000 0.955 67 R CA -1.497 54.598 56.100 -0.008 0.000 0.830 67 R CB 1.379 31.592 30.300 -0.144 0.000 1.154 67 R HN 0.570 8.891 8.270 0.085 0.000 0.458 68 I N 1.975 122.579 120.570 0.056 0.000 2.441 68 I HA 0.202 4.458 4.170 0.144 0.000 0.295 68 I C -0.139 176.025 176.117 0.079 0.000 0.994 68 I CA -1.519 59.844 61.300 0.104 0.000 1.144 68 I CB 1.787 39.863 38.000 0.127 0.000 1.314 68 I HN 0.713 8.947 8.210 0.039 0.000 0.445 69 G N 4.643 113.511 108.800 0.113 0.000 2.184 69 G HA2 -0.391 3.859 3.960 0.152 0.000 0.206 69 G HA3 -0.391 3.606 3.960 0.061 0.000 0.206 69 G C -0.840 174.097 174.900 0.062 0.000 0.995 69 G CA -0.327 44.831 45.100 0.097 0.000 0.651 69 G HN 0.425 8.805 8.290 0.151 0.000 0.511 70 K N -1.088 119.368 120.400 0.095 0.000 2.187 70 K HA 0.048 4.506 4.320 -0.027 -0.154 0.247 70 K C -1.578 175.228 176.600 0.344 0.000 1.019 70 K CA 0.882 57.225 56.287 0.093 0.000 0.893 70 K CB 0.663 33.067 32.500 -0.160 0.000 1.025 70 K HN -0.407 7.913 8.250 0.117 0.000 0.500 71 H N -1.003 118.176 119.070 0.182 0.000 1.775 71 H HA 0.206 4.949 4.556 0.310 0.000 0.164 71 H C 0.111 175.627 175.328 0.313 0.000 0.968 71 H CA 0.877 57.066 56.048 0.236 0.000 1.007 71 H CB 3.211 33.002 29.762 0.048 0.000 0.967 71 H HN 0.000 8.598 8.280 0.126 -0.242 0.327 72 S N -0.179 115.535 115.700 0.022 0.000 2.580 72 S HA 0.288 4.920 4.470 -0.086 -0.213 0.274 72 S C 0.680 175.092 174.600 -0.314 0.000 1.329 72 S CA 0.038 58.181 58.200 -0.096 0.000 1.036 72 S CB 1.163 64.325 63.200 -0.064 0.000 0.919 72 S HN -0.638 8.124 8.310 0.091 -0.397 0.515 73 R N 5.569 125.878 120.500 -0.317 0.000 2.064 73 R HA -0.071 3.607 4.340 -1.104 0.000 0.221 73 R C 0.733 176.839 176.300 -0.324 0.000 1.136 73 R CA 2.554 58.335 56.100 -0.531 0.000 0.980 73 R CB 0.337 30.509 30.300 -0.213 0.000 0.876 73 R HN 0.795 8.884 8.270 -0.141 0.096 0.437 74 T N -4.838 109.615 114.554 -0.167 0.000 3.107 74 T HA 0.023 4.322 4.350 -0.086 0.000 0.249 74 T C -0.516 174.126 174.700 -0.096 0.000 1.096 74 T CA -0.443 61.598 62.100 -0.098 0.000 1.012 74 T CB 0.024 68.871 68.868 -0.036 0.000 0.977 74 T HN -0.098 8.068 8.240 -0.124 0.000 0.527 75 R N 0.228 120.652 120.500 -0.126 0.000 2.445 75 R HA 0.223 4.540 4.340 -0.038 0.000 0.308 75 R C -0.813 175.425 176.300 -0.103 0.000 0.961 75 R CA -2.084 53.967 56.100 -0.082 0.000 0.862 75 R CB 0.995 31.256 30.300 -0.066 0.000 1.144 75 R HN -0.370 7.749 8.270 -0.168 0.051 0.447 76 Y N 6.876 127.082 120.300 -0.156 0.000 2.697 76 Y HA -0.008 4.547 4.550 -0.218 -0.135 0.471 76 Y C 0.170 175.992 175.900 -0.130 0.000 1.418 76 Y CA 0.693 58.693 58.100 -0.167 0.000 2.076 76 Y CB 1.125 39.502 38.460 -0.139 0.000 1.805 76 Y HN 0.378 8.714 8.280 0.094 0.000 0.660 77 R N 0.243 120.395 120.500 -0.581 0.000 2.561 77 R HA 0.234 4.205 4.340 -0.615 0.000 0.266 77 R C -0.765 175.395 176.300 -0.234 0.000 1.091 77 R CA 0.585 56.457 56.100 -0.380 0.000 0.927 77 R CB 1.639 31.933 30.300 -0.011 0.000 1.240 77 R HN 0.360 8.381 8.270 -0.415 0.000 0.449 78 N N 1.387 119.986 118.700 -0.168 0.000 2.900 78 N HA -0.350 4.357 4.740 -0.055 0.000 0.240 78 N C -1.118 174.318 175.510 -0.123 0.000 0.953 78 N CA 1.586 54.577 53.050 -0.099 0.000 0.950 78 N CB -0.272 38.178 38.487 -0.062 0.000 1.102 78 N HN 0.643 8.932 8.380 -0.152 0.000 0.593 79 I N -3.328 117.115 120.570 -0.212 0.000 3.673 79 I HA -0.042 4.024 4.170 -0.174 0.000 0.281 79 I C -0.980 175.029 176.117 -0.180 0.000 1.182 79 I CA 0.159 61.309 61.300 -0.250 0.000 1.391 79 I CB 2.207 39.947 38.000 -0.434 0.000 1.383 79 I HN -0.235 7.720 8.210 -0.282 0.086 0.456 80 E N 1.054 121.113 120.200 -0.234 0.000 2.250 80 E HA 0.405 4.826 4.350 -0.071 -0.113 0.265 80 E C -0.919 175.622 176.600 -0.099 0.000 1.033 80 E CA -1.127 55.182 56.400 -0.152 0.000 0.888 80 E CB 2.122 31.694 29.700 -0.213 0.000 1.151 80 E HN -0.487 7.671 8.360 -0.336 0.000 0.412 81 K N -0.247 120.138 120.400 -0.026 0.000 2.318 81 K HA 0.395 4.724 4.320 0.014 0.000 0.249 81 K C -1.843 174.770 176.600 0.023 0.000 0.942 81 K CA -1.385 54.911 56.287 0.015 0.000 0.808 81 K CB 3.867 36.392 32.500 0.042 0.000 1.189 81 K HN 0.689 8.825 8.250 -0.007 0.110 0.428 82 I N 2.877 123.471 120.570 0.040 0.000 2.418 82 I HA 0.882 5.312 4.170 0.032 -0.240 0.287 82 I C -0.311 175.830 176.117 0.040 0.000 1.008 82 I CA -1.149 60.175 61.300 0.041 0.000 1.104 82 I CB 2.213 40.246 38.000 0.055 0.000 1.264 82 I HN 0.291 8.530 8.210 0.048 0.000 0.438 83 S N 6.836 122.560 115.700 0.040 0.000 2.739 83 S HA 0.402 4.884 4.470 0.020 0.000 0.306 83 S C -1.601 173.014 174.600 0.025 0.000 1.115 83 S CA -1.051 57.165 58.200 0.027 0.000 0.985 83 S CB 2.807 66.022 63.200 0.024 0.000 1.133 83 S HN 0.474 8.812 8.310 0.048 0.000 0.541 84 M N -0.041 119.564 119.600 0.008 0.000 2.705 84 M HA 0.341 4.830 4.480 0.016 0.000 0.311 84 M C -1.115 175.175 176.300 -0.016 0.000 1.214 84 M CA -0.687 54.614 55.300 0.002 0.000 0.920 84 M CB 3.951 36.548 32.600 -0.005 0.000 1.687 84 M HN 0.234 8.523 8.290 -0.001 0.000 0.481 85 L N -1.359 119.850 121.223 -0.023 0.000 2.375 85 L HA 0.247 4.675 4.340 -0.059 -0.123 0.268 85 L C -0.611 176.218 176.870 -0.069 0.000 1.058 85 L CA -0.388 54.424 54.840 -0.048 0.000 0.803 85 L CB 1.079 43.116 42.059 -0.036 0.000 1.212 85 L HN 0.618 8.839 8.230 -0.015 0.000 0.451 86 E N 1.001 121.140 120.200 -0.101 0.000 2.279 86 E HA 0.054 4.356 4.350 -0.080 0.000 0.199 86 E C -0.279 176.241 176.600 -0.132 0.000 0.893 86 E CA 0.685 57.023 56.400 -0.104 0.000 0.978 86 E CB 2.652 32.282 29.700 -0.117 0.000 0.964 86 E HN 0.813 8.996 8.360 -0.121 0.104 0.486 87 K N -2.663 117.635 120.400 -0.170 0.000 2.508 87 K HA 0.355 4.629 4.320 -0.289 -0.127 0.260 87 K C -2.292 174.111 176.600 -0.328 0.000 0.949 87 K CA -1.899 54.203 56.287 -0.309 0.000 0.834 87 K CB 4.572 36.828 32.500 -0.406 0.000 1.365 87 K HN -0.682 7.470 8.250 -0.162 0.000 0.437 88 I N 0.745 121.046 120.570 -0.449 0.000 2.569 88 I HA 0.595 4.934 4.170 -0.005 -0.172 0.296 88 I C -0.794 175.075 176.117 -0.414 0.000 1.028 88 I CA -1.507 59.663 61.300 -0.216 0.000 1.082 88 I CB 3.281 41.226 38.000 -0.091 0.000 1.264 88 I HN 0.328 8.234 8.210 -0.506 0.000 0.429 89 Y N 4.597 124.997 120.300 0.166 0.000 2.406 89 Y HA 0.156 4.805 4.550 0.165 0.000 0.340 89 Y C -1.727 174.380 175.900 0.344 0.000 0.975 89 Y CA -0.749 57.497 58.100 0.244 0.000 1.056 89 Y CB 2.911 41.541 38.460 0.284 0.000 1.210 89 Y HN 0.737 9.239 8.280 0.370 0.000 0.448 90 I N 1.207 122.017 120.570 0.399 0.000 2.750 90 I HA 0.216 4.494 4.170 0.181 0.000 0.308 90 I C -0.845 175.346 176.117 0.123 0.000 1.016 90 I CA -2.268 59.163 61.300 0.218 0.000 1.098 90 I CB 2.291 40.386 38.000 0.159 0.000 1.279 90 I HN 0.306 8.730 8.210 0.356 0.000 0.454 91 H N 5.760 124.641 119.070 -0.316 0.000 2.886 91 H HA 0.073 3.849 4.556 -1.301 0.000 0.329 91 H C 0.330 175.559 175.328 -0.164 0.000 1.044 91 H CA 0.098 55.724 56.048 -0.705 0.000 1.456 91 H CB 1.494 30.810 29.762 -0.744 0.000 1.464 91 H HN -0.330 7.871 8.280 -0.131 0.000 0.573 92 P HA -0.075 4.450 4.420 0.175 0.000 0.229 92 P C -0.188 177.254 177.300 0.236 0.000 1.150 92 P CA 1.335 64.533 63.100 0.163 0.000 0.765 92 P CB 0.166 31.933 31.700 0.111 0.000 0.783 93 R N -4.328 116.405 120.500 0.389 0.000 2.659 93 R HA 0.251 4.628 4.340 0.062 0.000 0.418 93 R C -1.274 175.017 176.300 -0.014 0.000 1.076 93 R CA -1.144 55.011 56.100 0.092 0.000 1.093 93 R CB 0.968 31.276 30.300 0.013 0.000 1.400 93 R HN -0.090 8.687 8.270 0.987 0.086 0.583 94 Y N 3.649 123.933 120.300 -0.026 0.000 2.610 94 Y HA -0.210 4.581 4.550 -0.112 -0.307 0.332 94 Y C -0.987 174.895 175.900 -0.029 0.000 1.201 94 Y CA -0.337 57.750 58.100 -0.022 0.000 1.465 94 Y CB 0.356 38.876 38.460 0.100 0.000 1.283 94 Y HN -0.509 7.879 8.280 0.288 0.065 0.563 95 N N 7.928 126.466 118.700 -0.270 0.000 2.558 95 N HA 0.228 4.594 4.740 -0.623 0.000 0.242 95 N C -1.452 173.703 175.510 -0.592 0.000 0.979 95 N CA -1.807 50.950 53.050 -0.488 0.000 0.931 95 N CB 0.781 39.082 38.487 -0.310 0.000 1.122 95 N HN 0.192 8.555 8.380 -0.028 0.000 0.508 96 W N 4.060 124.946 121.300 -0.690 0.000 2.269 96 W HA 0.178 4.574 4.660 -0.440 0.000 0.402 96 W C -1.137 175.204 176.519 -0.297 0.000 0.654 96 W CA -2.535 54.486 57.345 -0.541 0.000 2.299 96 W CB -1.663 27.448 29.460 -0.581 0.000 1.621 96 W HN 0.317 7.633 8.180 -1.440 0.000 0.677 97 E N 2.240 122.241 120.200 -0.333 0.000 2.160 97 E HA -0.502 3.708 4.350 -0.233 0.000 0.237 97 E C -0.224 176.202 176.600 -0.289 0.000 1.069 97 E CA 3.148 59.389 56.400 -0.265 0.000 0.950 97 E CB 0.364 29.919 29.700 -0.242 0.000 0.832 97 E HN -0.179 8.245 8.360 -0.404 -0.306 0.496 98 N N -5.022 113.499 118.700 -0.298 0.000 2.299 98 N HA -0.041 4.371 4.740 -0.547 0.000 0.246 98 N C -0.812 174.470 175.510 -0.379 0.000 1.254 98 N CA -0.799 52.008 53.050 -0.405 0.000 0.879 98 N CB 0.010 38.300 38.487 -0.328 0.000 1.214 98 N HN -0.184 8.038 8.380 -0.264 0.000 0.510 99 L N -3.180 117.908 121.223 -0.226 0.000 3.597 99 L HA -0.481 4.053 4.340 0.133 -0.115 0.440 99 L C -1.711 175.225 176.870 0.110 0.000 1.277 99 L CA 0.847 55.691 54.840 0.006 0.000 0.852 99 L CB -2.725 39.315 42.059 -0.031 0.000 1.708 99 L HN -0.250 7.841 8.230 -0.231 0.000 0.885 100 D N -1.774 118.644 120.400 0.029 0.000 2.304 100 D HA 0.024 4.721 4.640 0.093 0.000 0.247 100 D C -0.075 176.258 176.300 0.056 0.000 1.089 100 D CA -0.155 53.867 54.000 0.037 0.000 0.910 100 D CB 1.528 42.301 40.800 -0.044 0.000 1.199 100 D HN -0.740 7.654 8.370 -0.060 -0.060 0.426 101 R N -1.399 119.107 120.500 0.010 0.000 3.209 101 R HA -0.389 3.883 4.340 -0.113 0.000 0.252 101 R C -1.542 174.784 176.300 0.044 0.000 0.958 101 R CA 1.040 57.073 56.100 -0.111 0.000 0.651 101 R CB -1.229 28.804 30.300 -0.445 0.000 1.142 101 R HN 0.728 9.017 8.270 0.032 0.000 0.441 102 D N -1.107 119.361 120.400 0.115 0.000 2.563 102 D HA 0.061 4.696 4.640 -0.007 0.000 0.222 102 D C -1.948 174.363 176.300 0.018 0.000 1.145 102 D CA -0.608 53.449 54.000 0.095 0.000 1.001 102 D CB -0.464 40.486 40.800 0.250 0.000 1.049 102 D HN 0.050 8.494 8.370 0.124 0.000 0.515 103 I N 2.208 122.741 120.570 -0.060 0.000 2.752 103 I HA 0.580 4.943 4.170 0.076 -0.147 0.295 103 I C -3.317 172.819 176.117 0.031 0.000 1.219 103 I CA -1.593 59.728 61.300 0.034 0.000 1.030 103 I CB 4.006 42.071 38.000 0.109 0.000 1.259 103 I HN -0.602 7.499 8.210 -0.134 0.029 0.423 104 A N 5.527 128.463 122.820 0.192 0.000 2.572 104 A HA 0.794 5.493 4.320 0.481 -0.091 0.295 104 A C -2.847 174.991 177.584 0.424 0.000 1.072 104 A CA -1.322 50.911 52.037 0.326 0.000 0.691 104 A CB 3.978 23.069 19.000 0.151 0.000 1.291 104 A HN 0.654 8.924 8.150 0.201 0.000 0.404 105 L N 0.893 122.443 121.223 0.546 0.000 2.346 105 L HA 0.826 5.578 4.340 0.412 -0.165 0.276 105 L C -1.202 175.996 176.870 0.547 0.000 1.006 105 L CA -1.630 53.506 54.840 0.492 0.000 0.817 105 L CB 3.586 45.852 42.059 0.346 0.000 1.272 105 L HN 0.626 9.165 8.230 0.687 0.103 0.421 106 M N 1.052 120.919 119.600 0.446 0.000 2.395 106 M HA 0.742 5.555 4.480 0.237 -0.190 0.307 106 M C -1.647 174.726 176.300 0.121 0.000 1.091 106 M CA -1.177 54.275 55.300 0.253 0.000 0.919 106 M CB 3.714 36.395 32.600 0.136 0.000 1.662 106 M HN 0.894 9.446 8.290 0.437 0.000 0.440 107 K N 3.147 123.461 120.400 -0.144 0.000 2.159 107 K HA 0.857 4.767 4.320 -0.996 -0.188 0.266 107 K C -1.288 175.121 176.600 -0.319 0.000 0.975 107 K CA -1.906 53.994 56.287 -0.645 0.000 0.865 107 K CB 3.340 35.368 32.500 -0.786 0.000 1.087 107 K HN 0.808 9.027 8.250 -0.051 0.000 0.446 108 L N 4.746 125.786 121.223 -0.306 0.000 2.421 108 L HA 0.273 4.684 4.340 -0.100 -0.131 0.263 108 L C 0.290 177.077 176.870 -0.137 0.000 1.122 108 L CA -0.183 54.568 54.840 -0.148 0.000 0.804 108 L CB 0.539 42.542 42.059 -0.093 0.000 1.150 108 L HN 0.356 8.328 8.230 -0.431 0.000 0.457 109 K N -0.461 119.890 120.400 -0.082 0.000 2.026 109 K HA -0.275 4.001 4.320 -0.073 0.000 0.208 109 K C 0.297 176.861 176.600 -0.061 0.000 1.048 109 K CA 2.025 58.273 56.287 -0.065 0.000 0.929 109 K CB 0.547 33.023 32.500 -0.040 0.000 0.713 109 K HN 0.616 8.740 8.250 -0.060 0.090 0.439 110 K N -4.054 116.315 120.400 -0.052 0.000 2.443 110 K HA 0.345 4.636 4.320 -0.047 0.000 0.251 110 K C -3.069 173.502 176.600 -0.048 0.000 0.972 110 K CA -2.653 53.607 56.287 -0.045 0.000 0.833 110 K CB 1.367 33.849 32.500 -0.030 0.000 1.317 110 K HN -0.134 8.088 8.250 -0.046 0.000 0.441 111 P HA 0.098 4.668 4.420 -0.035 -0.171 0.271 111 P C -1.184 176.089 177.300 -0.045 0.000 1.244 111 P CA -0.575 62.498 63.100 -0.045 0.000 0.793 111 P CB 0.496 32.164 31.700 -0.054 0.000 0.984 112 V N -0.064 119.826 119.914 -0.039 0.000 2.975 112 V HA 0.206 4.314 4.120 -0.021 0.000 0.318 112 V C -1.720 174.267 176.094 -0.177 0.000 1.077 112 V CA -2.720 59.564 62.300 -0.027 0.000 1.000 112 V CB 2.528 34.409 31.823 0.096 0.000 1.066 112 V HN 0.087 8.160 8.190 -0.018 0.106 0.452 113 A N 4.925 127.672 122.820 -0.122 0.000 2.292 113 A HA 0.151 4.219 4.320 -0.420 0.000 0.319 113 A C -1.214 176.332 177.584 -0.063 0.000 1.206 113 A CA -0.701 51.210 52.037 -0.210 0.000 0.835 113 A CB 1.075 20.024 19.000 -0.084 0.000 1.164 113 A HN 0.106 8.238 8.150 -0.030 0.000 0.505 114 F N 0.355 120.342 119.950 0.062 0.000 2.370 114 F HA 0.063 4.701 4.527 0.092 -0.056 0.319 114 F C -0.359 175.487 175.800 0.077 0.000 1.129 114 F CA -1.947 56.106 58.000 0.088 0.000 1.109 114 F CB 0.801 39.875 39.000 0.123 0.000 1.262 114 F HN -0.079 7.900 8.300 -0.534 0.000 0.534 115 S N -0.596 115.266 115.700 0.271 0.000 3.888 115 S HA 0.235 4.761 4.470 0.094 0.000 0.307 115 S C -0.929 173.654 174.600 -0.029 0.000 1.122 115 S CA -0.565 57.697 58.200 0.103 0.000 1.197 115 S CB 1.410 64.684 63.200 0.124 0.000 1.533 115 S HN 0.649 9.026 8.310 0.305 0.115 0.696 116 D N -2.310 117.914 120.400 -0.293 0.000 2.360 116 D HA 0.154 4.589 4.640 -0.342 0.000 0.210 116 D C -0.368 175.515 176.300 -0.695 0.000 1.047 116 D CA 1.288 54.958 54.000 -0.551 0.000 0.854 116 D CB 0.450 40.767 40.800 -0.805 0.000 0.936 116 D HN 0.251 8.431 8.370 -0.316 0.000 0.514 117 Y N -3.223 117.069 120.300 -0.014 0.000 2.444 117 Y HA -0.079 4.422 4.550 -0.081 0.000 0.252 117 Y C -1.000 174.898 175.900 -0.002 0.000 1.091 117 Y CA 0.081 58.160 58.100 -0.034 0.000 1.276 117 Y CB 1.504 39.949 38.460 -0.025 0.000 1.170 117 Y HN -0.159 7.922 8.280 -0.227 0.063 0.517 118 I N -0.998 119.671 120.570 0.164 0.000 2.439 118 I HA 0.386 4.831 4.170 0.148 -0.186 0.285 118 I C -1.800 174.442 176.117 0.208 0.000 1.021 118 I CA -0.923 60.494 61.300 0.195 0.000 1.091 118 I CB 1.835 39.992 38.000 0.262 0.000 1.242 118 I HN -0.736 7.555 8.210 0.135 0.000 0.439 119 H N 8.228 127.272 119.070 -0.045 0.000 3.085 119 H HA 0.379 4.587 4.556 -0.580 0.000 0.356 119 H C -3.286 171.954 175.328 -0.148 0.000 1.178 119 H CA -1.458 54.443 56.048 -0.245 0.000 1.214 119 H CB 4.220 33.922 29.762 -0.101 0.000 1.881 119 H HN -0.189 8.154 8.280 0.105 0.000 0.538 120 P HA 0.198 4.769 4.420 0.030 -0.133 0.281 120 P C -1.702 175.579 177.300 -0.032 0.000 1.264 120 P CA -1.152 61.823 63.100 -0.209 0.000 0.824 120 P CB 2.137 33.629 31.700 -0.348 0.000 1.092 121 V N -0.894 118.964 119.914 -0.093 0.000 2.973 121 V HA 0.122 3.927 4.120 -0.526 0.000 0.314 121 V C -0.418 175.509 176.094 -0.278 0.000 1.066 121 V CA -1.744 60.297 62.300 -0.432 0.000 1.021 121 V CB 2.948 34.275 31.823 -0.827 0.000 1.076 121 V HN -0.183 7.984 8.190 -0.038 0.000 0.462 122 C N 4.387 123.486 119.300 -0.335 0.000 2.364 122 C HA 0.231 4.609 4.460 -0.138 0.000 0.356 122 C C -0.916 174.071 174.990 -0.005 0.000 1.201 122 C CA -0.140 58.745 59.018 -0.221 0.000 2.227 122 C CB 0.818 28.226 27.740 -0.553 0.000 2.387 122 C HN -0.118 7.838 8.230 -0.456 0.000 0.546 123 L N 1.377 122.667 121.223 0.112 0.000 2.322 123 L HA 0.512 4.962 4.340 0.184 0.000 0.279 123 L C -0.990 176.068 176.870 0.313 0.000 1.036 123 L CA -2.227 52.727 54.840 0.191 0.000 0.807 123 L CB 1.012 43.154 42.059 0.138 0.000 1.226 123 L HN 0.332 8.610 8.230 0.079 0.000 0.433 124 P HA 0.062 4.492 4.420 0.017 0.000 0.276 124 P C -2.314 175.041 177.300 0.092 0.000 1.244 124 P CA -0.769 62.389 63.100 0.097 0.000 0.801 124 P CB 0.618 32.328 31.700 0.016 0.000 1.006 125 D N -2.469 117.844 120.400 -0.146 0.000 2.342 125 D HA 0.118 4.825 4.640 0.112 0.000 0.243 125 D C 1.058 177.046 176.300 -0.521 0.000 1.019 125 D CA -2.516 51.414 54.000 -0.117 0.000 0.864 125 D CB 2.377 43.143 40.800 -0.056 0.000 1.315 125 D HN -0.357 7.806 8.370 -0.344 0.000 0.468 126 R N 1.292 121.405 120.500 -0.645 0.000 2.190 126 R HA -0.446 2.754 4.340 -1.900 0.000 0.255 126 R C 1.976 177.968 176.300 -0.513 0.000 1.143 126 R CA 3.835 59.419 56.100 -0.859 0.000 0.965 126 R CB -0.227 29.972 30.300 -0.169 0.000 0.889 126 R HN 0.456 8.628 8.270 -0.164 0.000 0.448 127 E N -3.773 116.238 120.200 -0.315 0.000 2.031 127 E HA -0.174 4.057 4.350 -0.198 0.000 0.193 127 E C 0.509 176.941 176.600 -0.281 0.000 0.994 127 E CA 2.193 58.452 56.400 -0.234 0.000 0.800 127 E CB -0.279 29.327 29.700 -0.157 0.000 0.752 127 E HN -0.350 7.978 8.360 -0.252 -0.119 0.447 128 T N 1.323 115.666 114.554 -0.351 0.000 2.829 128 T HA -0.261 3.899 4.350 -0.317 0.000 0.293 128 T C 0.106 174.582 174.700 -0.374 0.000 0.970 128 T CA 2.945 64.799 62.100 -0.409 0.000 1.168 128 T CB -0.500 67.941 68.868 -0.712 0.000 0.911 128 T HN -0.547 7.749 8.240 -0.355 -0.269 0.535 129 L N 0.691 121.871 121.223 -0.072 0.000 2.208 129 L HA -0.389 4.129 4.340 0.297 0.000 0.478 129 L C -0.414 176.409 176.870 -0.078 0.000 0.724 129 L CA 1.582 56.451 54.840 0.047 0.000 2.975 129 L CB -1.766 40.278 42.059 -0.024 0.000 0.837 129 L HN 0.876 9.018 8.230 -0.146 0.000 0.703 130 L N -0.311 120.780 121.223 -0.219 0.000 2.376 130 L HA -0.051 4.080 4.340 -0.348 0.000 0.250 130 L C -1.191 175.444 176.870 -0.392 0.000 1.335 130 L CA 0.057 54.698 54.840 -0.331 0.000 1.214 130 L CB -2.127 39.722 42.059 -0.349 0.000 1.395 130 L HN -0.014 8.094 8.230 -0.204 0.000 0.424 131 Q N 0.312 119.759 119.800 -0.588 0.000 2.387 131 Q HA 0.239 4.316 4.340 -0.439 0.000 0.273 131 Q C -1.240 174.431 176.000 -0.547 0.000 1.089 131 Q CA -1.958 53.437 55.803 -0.679 0.000 0.824 131 Q CB 4.377 32.443 28.738 -1.121 0.000 1.367 131 Q HN -0.245 7.606 8.270 -0.623 0.045 0.443 132 A N 1.705 124.316 122.820 -0.349 0.000 2.488 132 A HA -0.339 3.985 4.320 -0.192 -0.119 0.249 132 A C 0.391 177.905 177.584 -0.117 0.000 1.083 132 A CA 1.067 52.981 52.037 -0.206 0.000 0.768 132 A CB -0.457 18.450 19.000 -0.156 0.000 1.017 132 A HN 0.432 8.394 8.150 -0.313 0.000 0.496 133 G N 3.598 112.384 108.800 -0.024 0.000 2.238 133 G HA2 -0.325 3.665 3.960 0.051 0.000 0.217 133 G HA3 -0.325 3.709 3.960 0.124 0.000 0.217 133 G C -0.939 174.107 174.900 0.242 0.000 0.996 133 G CA -0.296 44.863 45.100 0.098 0.000 0.632 133 G HN 0.325 8.475 8.290 -0.059 0.105 0.503 134 Y N 1.963 122.228 120.300 -0.058 0.000 2.309 134 Y HA -0.051 4.476 4.550 -0.039 0.000 0.327 134 Y C -0.674 175.207 175.900 -0.032 0.000 1.172 134 Y CA -1.166 56.904 58.100 -0.050 0.000 1.280 134 Y CB 0.674 39.090 38.460 -0.072 0.000 1.234 134 Y HN -0.612 7.712 8.280 0.207 0.080 0.512 135 K N 1.197 121.657 120.400 0.100 0.000 2.110 135 K HA 0.463 5.010 4.320 0.078 -0.180 0.263 135 K C -0.474 176.146 176.600 0.033 0.000 0.975 135 K CA -0.963 55.363 56.287 0.065 0.000 0.895 135 K CB 2.605 35.133 32.500 0.047 0.000 1.060 135 K HN 0.156 8.425 8.250 0.032 0.000 0.448 136 G N -0.629 108.161 108.800 -0.016 0.000 2.630 136 G HA2 0.671 4.539 3.960 -0.305 0.000 0.296 136 G HA3 0.671 4.019 3.960 -1.019 0.000 0.296 136 G C -2.912 171.699 174.900 -0.482 0.000 1.285 136 G CA -1.346 43.477 45.100 -0.462 0.000 0.958 136 G HN 0.511 8.730 8.290 0.064 0.110 0.479 137 R N -0.319 119.835 120.500 -0.577 0.000 2.670 137 R HA 0.987 5.416 4.340 -0.140 -0.172 0.289 137 R C -2.012 174.126 176.300 -0.269 0.000 0.965 137 R CA -1.625 54.324 56.100 -0.252 0.000 0.899 137 R CB 4.110 34.373 30.300 -0.063 0.000 1.173 137 R HN 0.433 8.280 8.270 -0.706 0.000 0.456 138 V N 4.846 124.723 119.914 -0.063 0.000 2.914 138 V HA 1.034 5.407 4.120 0.074 -0.209 0.314 138 V C -1.079 175.022 176.094 0.012 0.000 1.084 138 V CA -2.310 60.030 62.300 0.066 0.000 0.963 138 V CB 3.538 35.504 31.823 0.238 0.000 1.025 138 V HN 0.493 8.669 8.190 -0.023 0.000 0.432 139 T N -0.712 113.837 114.554 -0.008 0.000 2.883 139 T HA 0.932 5.402 4.350 -0.126 -0.197 0.301 139 T C -1.073 173.516 174.700 -0.184 0.000 1.158 139 T CA -2.387 59.635 62.100 -0.130 0.000 1.007 139 T CB 3.625 72.378 68.868 -0.193 0.000 1.186 139 T HN -0.191 8.074 8.240 0.041 0.000 0.499 140 G N -0.416 108.178 108.800 -0.343 0.000 2.340 140 G HA2 0.194 3.833 3.960 -0.535 0.000 0.298 140 G HA3 0.194 4.270 3.960 -0.116 -0.185 0.298 140 G C -2.015 172.677 174.900 -0.347 0.000 1.498 140 G CA 0.621 45.515 45.100 -0.344 0.000 0.847 140 G HN -0.443 7.614 8.290 -0.388 0.000 0.594 141 W N 1.513 122.832 121.300 0.033 0.000 2.937 141 W HA 0.427 5.087 4.660 0.000 0.000 0.435 141 W C -0.289 176.250 176.519 0.034 0.000 0.912 141 W CA -1.331 56.026 57.345 0.019 0.000 2.209 141 W CB -0.510 28.962 29.460 0.019 0.000 1.144 141 W HN 0.610 8.891 8.180 0.169 0.000 0.762 142 G N 0.681 109.590 108.800 0.182 0.000 2.535 142 G HA2 0.054 4.109 3.960 0.158 0.000 0.282 142 G HA3 0.054 4.236 3.960 0.113 -0.154 0.282 142 G C -0.937 174.028 174.900 0.109 0.000 1.350 142 G CA -0.832 44.352 45.100 0.139 0.000 1.039 142 G HN -0.713 7.672 8.290 0.107 -0.031 0.509 143 N N -2.051 116.702 118.700 0.089 0.000 2.297 143 N HA -0.235 4.548 4.740 0.072 0.000 0.232 143 N C -0.239 175.307 175.510 0.060 0.000 1.311 143 N CA 0.962 54.054 53.050 0.070 0.000 0.897 143 N CB 0.542 39.065 38.487 0.060 0.000 1.137 143 N HN 0.160 8.593 8.380 0.089 0.000 0.449 144 L N -3.526 117.728 121.223 0.051 0.000 2.609 144 L HA 0.251 4.848 4.340 0.042 -0.231 0.230 144 L C 0.464 177.357 176.870 0.038 0.000 1.087 144 L CA 0.118 54.983 54.840 0.042 0.000 0.874 144 L CB 1.360 43.442 42.059 0.038 0.000 1.114 144 L HN -0.057 8.203 8.230 0.050 0.000 0.488 145 K N -3.818 116.604 120.400 0.038 0.000 2.509 145 K HA 0.170 4.510 4.320 0.032 0.000 0.266 145 K C -1.026 175.595 176.600 0.035 0.000 0.987 145 K CA -0.821 55.486 56.287 0.033 0.000 0.868 145 K CB 2.550 35.067 32.500 0.028 0.000 1.421 145 K HN -0.622 7.653 8.250 0.041 0.000 0.444 146 E N 0.641 120.860 120.200 0.032 0.000 2.072 146 E HA -0.235 4.138 4.350 0.038 0.000 0.191 146 E C -0.060 176.559 176.600 0.032 0.000 0.985 146 E CA 2.381 58.801 56.400 0.033 0.000 0.801 146 E CB 0.546 30.264 29.700 0.029 0.000 0.750 146 E HN 0.409 8.787 8.360 0.029 0.000 0.452 151 Q N -0.266 119.561 119.800 0.045 0.000 2.397 151 Q HA 0.314 4.696 4.340 0.069 0.000 0.275 151 Q C -2.428 173.609 176.000 0.062 0.000 1.090 151 Q CA -2.747 53.092 55.803 0.061 0.000 0.809 151 Q CB 2.866 31.640 28.738 0.060 0.000 1.362 151 Q HN -0.310 7.984 8.270 0.040 0.000 0.431 152 P HA 0.387 4.838 4.420 0.053 0.000 0.287 152 P C -0.560 176.791 177.300 0.085 0.000 1.279 152 P CA -1.774 61.371 63.100 0.075 0.000 0.867 152 P CB 2.384 34.132 31.700 0.079 0.000 1.127 153 S N -0.752 114.980 115.700 0.053 0.000 2.439 153 S HA -0.023 4.463 4.470 0.027 0.000 0.224 153 S C 0.102 174.720 174.600 0.031 0.000 1.029 153 S CA 1.987 60.206 58.200 0.031 0.000 0.946 153 S CB 0.377 63.585 63.200 0.014 0.000 0.797 153 S HN 0.407 8.741 8.310 0.039 0.000 0.504 154 V N 0.414 120.339 119.914 0.018 0.000 2.975 154 V HA 0.335 4.545 4.120 -0.157 -0.184 0.318 154 V C -0.573 175.537 176.094 0.026 0.000 1.077 154 V CA -1.117 61.123 62.300 -0.100 0.000 1.000 154 V CB 2.974 34.673 31.823 -0.206 0.000 1.066 154 V HN -0.739 7.441 8.190 0.023 0.023 0.452 155 L N 3.024 124.186 121.223 -0.102 0.000 2.455 155 L HA -0.057 3.738 4.340 -0.908 0.000 0.272 155 L C -1.372 175.335 176.870 -0.271 0.000 1.174 155 L CA 0.597 55.168 54.840 -0.448 0.000 0.869 155 L CB 0.794 42.578 42.059 -0.457 0.000 1.130 155 L HN 0.034 8.095 8.230 -0.282 0.000 0.474 156 Q N 3.777 123.416 119.800 -0.268 0.000 2.215 156 Q HA 0.853 5.331 4.340 -0.090 -0.192 0.256 156 Q C -0.541 175.383 176.000 -0.127 0.000 0.972 156 Q CA -2.038 53.687 55.803 -0.130 0.000 0.889 156 Q CB 3.263 31.959 28.738 -0.070 0.000 1.281 156 Q HN -0.011 8.037 8.270 -0.371 0.000 0.456 157 V N -1.089 118.785 119.914 -0.066 0.000 2.841 157 V HA 0.784 5.073 4.120 -0.062 -0.207 0.310 157 V C -1.660 174.434 176.094 -0.001 0.000 1.090 157 V CA -1.530 60.741 62.300 -0.049 0.000 0.930 157 V CB 3.148 34.939 31.823 -0.054 0.000 1.014 157 V HN 0.818 8.882 8.190 -0.042 0.100 0.425 158 V N 3.276 123.204 119.914 0.022 0.000 3.012 158 V HA 0.273 4.433 4.120 0.067 0.000 0.307 158 V C -2.737 173.400 176.094 0.072 0.000 1.166 158 V CA -1.772 60.569 62.300 0.067 0.000 0.974 158 V CB 4.772 36.651 31.823 0.093 0.000 1.040 158 V HN -0.008 8.189 8.190 0.010 0.000 0.428 159 N N 5.903 124.668 118.700 0.108 0.000 2.407 159 N HA 0.666 5.592 4.740 0.032 -0.166 0.277 159 N C -1.523 174.071 175.510 0.140 0.000 0.995 159 N CA -0.790 52.316 53.050 0.093 0.000 0.903 159 N CB 1.463 40.011 38.487 0.101 0.000 1.218 159 N HN 0.182 8.645 8.380 0.139 0.000 0.487 160 L N 1.481 122.750 121.223 0.078 0.000 2.362 160 L HA 0.622 4.855 4.340 -0.178 0.000 0.271 160 L C -2.449 174.381 176.870 -0.067 0.000 1.002 160 L CA -3.794 51.026 54.840 -0.034 0.000 0.818 160 L CB 2.955 45.058 42.059 0.074 0.000 1.298 160 L HN 0.900 9.058 8.230 0.053 0.104 0.420 161 P HA 0.302 4.886 4.420 -0.034 -0.184 0.278 161 P C -0.622 176.615 177.300 -0.106 0.000 1.238 161 P CA -1.095 61.906 63.100 -0.166 0.000 0.794 161 P CB 0.651 32.200 31.700 -0.252 0.000 0.955 162 I N 1.706 122.241 120.570 -0.057 0.000 2.575 162 I HA -0.078 4.145 4.170 -0.111 -0.120 0.285 162 I C 0.138 176.162 176.117 -0.155 0.000 1.085 162 I CA 0.823 62.051 61.300 -0.119 0.000 1.403 162 I CB 0.637 38.531 38.000 -0.177 0.000 1.409 162 I HN 0.039 8.244 8.210 -0.009 0.000 0.557 163 V N 5.037 124.832 119.914 -0.198 0.000 2.850 163 V HA 0.177 4.166 4.120 -0.219 0.000 0.315 163 V C -1.132 174.839 176.094 -0.206 0.000 1.064 163 V CA -1.636 60.508 62.300 -0.261 0.000 0.979 163 V CB 3.059 34.590 31.823 -0.487 0.000 1.039 163 V HN 0.143 8.221 8.190 -0.186 0.000 0.452 164 E N 1.906 121.996 120.200 -0.183 0.000 2.316 164 E HA 0.027 4.311 4.350 -0.110 0.000 0.275 164 E C 0.962 177.505 176.600 -0.095 0.000 1.029 164 E CA -0.011 56.317 56.400 -0.120 0.000 0.871 164 E CB -0.063 29.581 29.700 -0.092 0.000 1.022 164 E HN 0.137 8.377 8.360 -0.200 0.000 0.418 165 R N 5.331 125.804 120.500 -0.045 0.000 2.133 165 R HA -0.417 3.945 4.340 0.036 0.000 0.245 165 R C -0.316 175.996 176.300 0.021 0.000 1.137 165 R CA 5.626 61.734 56.100 0.013 0.000 0.947 165 R CB -2.823 27.498 30.300 0.035 0.000 0.865 165 R HN 0.662 8.904 8.270 -0.046 0.000 0.437 166 P HA -0.179 4.261 4.420 0.033 0.000 0.218 166 P C 1.482 178.793 177.300 0.019 0.000 1.154 166 P CA 3.071 66.181 63.100 0.016 0.000 0.872 166 P CB -0.696 31.006 31.700 0.004 0.000 0.790 167 V N -1.144 118.753 119.914 -0.028 0.000 2.307 167 V HA -0.417 3.710 4.120 0.012 0.000 0.245 167 V C 2.321 178.394 176.094 -0.034 0.000 1.045 167 V CA 4.087 66.355 62.300 -0.054 0.000 1.024 167 V CB -0.470 31.251 31.823 -0.170 0.000 0.651 167 V HN -0.339 7.723 8.190 -0.052 0.097 0.449 168 c N -0.820 117.736 118.600 -0.074 0.000 2.403 168 c HA -0.318 4.234 4.570 -0.029 0.000 0.277 168 c C 2.954 177.231 174.090 0.310 0.000 1.248 168 c CA 3.465 59.838 56.329 0.074 0.000 1.762 168 c CB -2.143 40.417 42.510 0.084 0.000 2.014 168 c HN 0.025 8.124 8.230 -0.109 0.065 0.486 169 K N -1.103 119.415 120.400 0.198 0.000 2.167 169 K HA -0.149 4.293 4.320 0.202 0.000 0.203 169 K C 1.994 178.684 176.600 0.149 0.000 1.052 169 K CA 2.745 59.135 56.287 0.172 0.000 0.956 169 K CB -0.014 32.552 32.500 0.109 0.000 0.735 169 K HN 0.188 8.412 8.250 0.126 0.101 0.451 170 D N -2.487 117.992 120.400 0.131 0.000 2.325 170 D HA 0.089 4.790 4.640 0.101 0.000 0.234 170 D C -0.053 176.341 176.300 0.157 0.000 1.122 170 D CA 1.336 55.407 54.000 0.118 0.000 0.850 170 D CB -0.853 40.000 40.800 0.087 0.000 0.921 170 D HN 0.017 8.260 8.370 0.114 0.195 0.513 171 S N -3.708 112.126 115.700 0.223 0.000 2.520 171 S HA 0.021 4.617 4.470 0.210 0.000 0.219 171 S C -0.370 174.369 174.600 0.232 0.000 1.028 171 S CA 0.823 59.181 58.200 0.263 0.000 0.921 171 S CB 2.131 65.596 63.200 0.441 0.000 0.844 171 S HN -0.448 7.897 8.310 0.243 0.111 0.495 172 T N 0.725 115.418 114.554 0.232 0.000 2.864 172 T HA 0.208 4.658 4.350 0.168 0.000 0.289 172 T C -1.222 173.543 174.700 0.109 0.000 1.082 172 T CA -1.094 61.119 62.100 0.189 0.000 1.009 172 T CB 2.360 71.396 68.868 0.279 0.000 1.234 172 T HN -0.857 7.523 8.240 0.234 0.000 0.526 173 R N 0.715 121.253 120.500 0.064 0.000 2.397 173 R HA 0.205 4.559 4.340 0.023 0.000 0.241 173 R C -0.191 176.092 176.300 -0.028 0.000 0.914 173 R CA -0.279 55.830 56.100 0.016 0.000 1.071 173 R CB 0.761 31.060 30.300 -0.003 0.000 1.116 173 R HN 0.306 8.619 8.270 0.072 0.000 0.524 174 I N -0.139 120.406 120.570 -0.041 0.000 2.677 174 I HA -0.027 4.052 4.170 -0.151 0.000 0.305 174 I C -0.802 175.258 176.117 -0.094 0.000 0.988 174 I CA -1.250 59.966 61.300 -0.140 0.000 1.260 174 I CB 1.354 39.161 38.000 -0.322 0.000 1.410 174 I HN -0.213 7.939 8.210 0.015 0.067 0.523 175 R N 3.695 124.124 120.500 -0.118 0.000 2.288 175 R HA -0.074 4.244 4.340 -0.038 0.000 0.330 175 R C -1.103 175.163 176.300 -0.056 0.000 1.069 175 R CA -0.075 55.983 56.100 -0.071 0.000 0.941 175 R CB -0.586 29.665 30.300 -0.082 0.000 0.998 175 R HN 0.156 8.330 8.270 -0.159 0.000 0.452 176 I N 5.867 126.434 120.570 -0.005 0.000 2.472 176 I HA 0.007 4.199 4.170 0.035 0.000 0.290 176 I C -0.129 176.021 176.117 0.055 0.000 1.016 176 I CA -1.975 59.351 61.300 0.044 0.000 1.348 176 I CB 0.313 38.378 38.000 0.108 0.000 1.417 176 I HN 0.067 8.284 8.210 0.012 0.000 0.521 177 T N -1.114 113.485 114.554 0.076 0.000 2.841 177 T HA 0.230 4.600 4.350 0.034 0.000 0.276 177 T C 0.068 174.818 174.700 0.084 0.000 1.003 177 T CA -2.704 59.428 62.100 0.052 0.000 0.995 177 T CB 3.260 72.139 68.868 0.019 0.000 1.260 177 T HN -0.475 7.830 8.240 0.108 0.000 0.581 178 D N -1.702 118.727 120.400 0.049 0.000 2.348 178 D HA -0.117 4.569 4.640 0.076 0.000 0.216 178 D C -0.049 176.288 176.300 0.061 0.000 0.970 178 D CA 2.434 56.461 54.000 0.046 0.000 0.889 178 D CB -0.301 40.492 40.800 -0.012 0.000 0.912 178 D HN 0.345 8.728 8.370 0.021 0.000 0.524 179 N N -2.014 116.736 118.700 0.083 0.000 2.322 179 N HA 0.054 4.871 4.740 0.129 0.000 0.216 179 N C -1.581 174.089 175.510 0.266 0.000 1.144 179 N CA -0.363 52.774 53.050 0.145 0.000 0.830 179 N CB 0.224 38.756 38.487 0.074 0.000 1.034 179 N HN -0.607 7.750 8.380 0.064 0.061 0.484 180 M N -2.382 117.400 119.600 0.304 0.000 2.631 180 M HA 0.857 5.698 4.480 0.239 -0.217 0.288 180 M C -2.382 174.152 176.300 0.389 0.000 1.260 180 M CA -0.499 54.983 55.300 0.304 0.000 0.842 180 M CB 5.551 38.338 32.600 0.312 0.000 1.743 180 M HN -0.795 7.567 8.290 0.282 0.097 0.461 181 F N -4.037 116.018 119.950 0.175 0.000 2.693 181 F HA 0.599 5.159 4.527 0.054 0.000 0.309 181 F C -3.437 172.292 175.800 -0.119 0.000 1.129 181 F CA -1.448 56.558 58.000 0.009 0.000 0.948 181 F CB 2.204 41.120 39.000 -0.141 0.000 1.315 181 F HN -0.168 8.166 8.300 0.056 0.000 0.447 182 c N -1.978 116.593 118.600 -0.049 0.000 2.889 182 c HA 1.118 5.598 4.570 -0.453 -0.181 0.307 182 c C -2.126 171.843 174.090 -0.203 0.000 1.251 182 c CA -3.905 52.162 56.329 -0.435 0.000 1.593 182 c CB 4.143 46.023 42.510 -1.050 0.000 2.104 182 c HN 0.417 8.672 8.230 0.042 0.000 0.476 183 A N 0.451 123.177 122.820 -0.157 0.000 2.515 183 A HA 0.879 5.230 4.320 -0.130 -0.109 0.298 183 A C -2.239 175.357 177.584 0.019 0.000 1.059 183 A CA -1.156 50.830 52.037 -0.086 0.000 0.698 183 A CB 3.233 22.184 19.000 -0.081 0.000 1.289 183 A HN 0.210 8.285 8.150 -0.126 0.000 0.404 184 Y N 2.050 122.467 120.300 0.195 0.000 2.316 184 Y HA 0.023 4.805 4.550 0.149 -0.143 0.324 184 Y C 0.528 176.563 175.900 0.224 0.000 1.267 184 Y CA -1.006 57.191 58.100 0.162 0.000 1.311 184 Y CB 1.841 40.357 38.460 0.093 0.000 1.267 184 Y HN 0.448 8.860 8.280 0.220 0.000 0.516 185 K N -1.003 119.613 120.400 0.360 0.000 2.418 185 K HA -0.059 4.494 4.320 0.388 0.000 0.195 185 K C 0.187 176.893 176.600 0.176 0.000 1.035 185 K CA -0.481 55.979 56.287 0.288 0.000 1.003 185 K CB -0.116 32.512 32.500 0.212 0.000 0.793 185 K HN 0.230 8.692 8.250 0.354 0.000 0.494 186 K N -1.705 118.559 120.400 -0.228 0.000 7.510 186 K HA -0.459 3.680 4.320 -0.301 0.000 0.590 186 K C -1.074 175.352 176.600 -0.290 0.000 2.589 186 K CA 1.005 57.019 56.287 -0.455 0.000 2.013 186 K CB -0.260 31.559 32.500 -1.136 0.000 1.993 186 K HN -0.004 8.153 8.250 -0.154 0.000 0.280 187 R N 1.582 121.997 120.500 -0.141 0.000 3.228 187 R HA 0.252 4.666 4.340 0.123 0.000 0.229 187 R C -1.470 174.928 176.300 0.163 0.000 1.583 187 R CA -1.438 54.694 56.100 0.054 0.000 1.035 187 R CB 1.803 32.121 30.300 0.029 0.000 1.696 187 R HN 0.145 8.318 8.270 -0.161 0.000 0.523 188 G N -1.445 107.446 108.800 0.152 0.000 2.428 188 G HA2 -0.217 4.105 3.960 0.113 0.000 0.681 188 G HA3 -0.217 3.868 3.960 0.209 0.000 0.681 188 G C -2.550 172.444 174.900 0.157 0.000 1.340 188 G CA -0.452 44.745 45.100 0.161 0.000 0.915 188 G HN 0.146 8.787 8.290 0.110 -0.285 0.645 189 D N -2.041 118.436 120.400 0.129 0.000 2.940 189 D HA 0.138 4.869 4.640 0.151 0.000 0.304 189 D C -2.567 173.796 176.300 0.105 0.000 1.255 189 D CA -0.239 53.831 54.000 0.117 0.000 0.734 189 D CB 2.580 43.422 40.800 0.071 0.000 1.261 189 D HN -0.400 8.040 8.370 0.117 0.000 0.436 190 A N -1.695 121.181 122.820 0.094 0.000 2.263 190 A HA 0.352 4.722 4.320 0.083 0.000 0.318 190 A C -2.147 175.467 177.584 0.050 0.000 1.111 190 A CA -1.442 50.642 52.037 0.077 0.000 0.901 190 A CB 2.810 21.852 19.000 0.069 0.000 1.280 190 A HN 0.194 8.393 8.150 0.081 0.000 0.503 191 c N -3.522 115.110 118.600 0.054 0.000 3.276 191 c HA 0.221 4.820 4.570 0.048 0.000 0.370 191 c C -1.240 172.893 174.090 0.071 0.000 1.624 191 c CA -1.091 55.272 56.329 0.055 0.000 1.179 191 c CB 3.080 45.623 42.510 0.055 0.000 1.909 191 c HN 0.146 8.686 8.230 0.062 -0.273 0.434 192 E N 1.793 122.038 120.200 0.074 0.000 2.502 192 E HA -0.326 4.085 4.350 0.101 0.000 0.261 192 E C 1.022 177.680 176.600 0.097 0.000 0.974 192 E CA 2.373 58.826 56.400 0.088 0.000 0.936 192 E CB 0.600 30.345 29.700 0.075 0.000 0.926 192 E HN 0.123 8.522 8.360 0.066 0.000 0.459 193 G N 5.236 114.104 108.800 0.113 0.000 2.234 193 G HA2 -0.362 3.675 3.960 0.129 0.000 0.235 193 G HA3 -0.362 3.677 3.960 0.131 0.000 0.235 193 G C 0.147 175.134 174.900 0.144 0.000 0.997 193 G CA 0.918 46.096 45.100 0.130 0.000 0.623 193 G HN 0.916 9.279 8.290 0.121 0.000 0.514 194 D N 0.663 121.136 120.400 0.121 0.000 2.366 194 D HA 0.150 4.860 4.640 0.116 0.000 0.205 194 D C 0.094 176.464 176.300 0.116 0.000 1.022 194 D CA 0.656 54.722 54.000 0.110 0.000 0.868 194 D CB 0.861 41.712 40.800 0.085 0.000 0.953 194 D HN -0.026 8.322 8.370 0.111 0.088 0.514 195 S N -0.618 115.160 115.700 0.131 0.000 2.571 195 S HA -0.559 4.119 4.470 0.152 -0.116 0.298 195 S C 1.068 175.720 174.600 0.087 0.000 1.280 195 S CA 2.568 60.858 58.200 0.149 0.000 1.052 195 S CB 0.079 63.439 63.200 0.268 0.000 0.799 195 S HN -0.366 8.028 8.310 0.140 0.000 0.501 196 G N 3.556 112.402 108.800 0.078 0.000 2.225 196 G HA2 -0.443 3.633 3.960 0.057 0.000 0.254 196 G HA3 -0.443 3.645 3.960 0.043 -0.103 0.254 196 G C -0.491 174.487 174.900 0.129 0.000 0.988 196 G CA 0.262 45.405 45.100 0.070 0.000 0.625 196 G HN 0.882 9.131 8.290 0.110 0.106 0.527 197 G N 0.397 109.284 108.800 0.146 0.000 2.557 197 G HA2 0.462 4.523 3.960 0.168 0.000 0.292 197 G HA3 0.462 4.509 3.960 0.146 0.000 0.292 197 G C -2.783 172.244 174.900 0.212 0.000 1.237 197 G CA -2.205 42.995 45.100 0.167 0.000 0.978 197 G HN -0.408 7.888 8.290 0.135 0.075 0.498 198 P HA 0.363 5.074 4.420 0.256 -0.138 0.284 198 P C -2.039 175.425 177.300 0.274 0.000 1.258 198 P CA -1.072 62.169 63.100 0.236 0.000 0.824 198 P CB 1.762 33.574 31.700 0.186 0.000 1.038 199 F N 3.050 123.090 119.950 0.150 0.000 2.445 199 F HA 0.783 5.578 4.527 0.101 -0.207 0.348 199 F C -2.343 173.531 175.800 0.123 0.000 1.125 199 F CA -2.277 55.787 58.000 0.107 0.000 0.983 199 F CB 3.018 42.026 39.000 0.012 0.000 1.198 199 F HN -0.153 8.370 8.300 0.373 0.000 0.436 200 V N 3.033 122.798 119.914 -0.248 0.000 2.960 200 V HA 0.959 5.266 4.120 0.088 -0.135 0.315 200 V C -2.259 173.849 176.094 0.024 0.000 1.087 200 V CA -3.192 59.106 62.300 -0.003 0.000 0.982 200 V CB 3.958 35.838 31.823 0.095 0.000 1.039 200 V HN 0.845 8.806 8.190 -0.382 0.000 0.437 201 M N 0.212 119.910 119.600 0.164 0.000 2.619 201 M HA 0.409 4.930 4.480 0.069 0.000 0.297 201 M C -1.895 174.360 176.300 -0.076 0.000 1.229 201 M CA -0.700 54.636 55.300 0.061 0.000 0.860 201 M CB 5.022 37.629 32.600 0.011 0.000 1.741 201 M HN 0.605 9.015 8.290 0.200 0.000 0.462 202 K N 1.421 121.553 120.400 -0.448 0.000 2.281 202 K HA 0.391 4.330 4.320 -0.909 -0.164 0.272 202 K C -0.551 175.829 176.600 -0.366 0.000 1.048 202 K CA -1.163 54.630 56.287 -0.824 0.000 0.898 202 K CB 0.888 32.571 32.500 -1.362 0.000 1.128 202 K HN 0.314 8.358 8.250 -0.343 0.000 0.460 203 S N 7.227 122.827 115.700 -0.168 0.000 2.159 203 S HA -0.306 4.103 4.470 -0.101 0.000 0.163 203 S C 0.359 174.875 174.600 -0.140 0.000 1.394 203 S CA 2.150 60.301 58.200 -0.082 0.000 2.434 203 S CB 1.036 64.291 63.200 0.091 0.000 0.341 203 S HN 0.649 8.907 8.310 -0.087 0.000 0.348 204 N N 0.217 118.907 118.700 -0.017 0.000 2.550 204 N HA -0.367 4.364 4.740 -0.014 0.000 0.252 204 N C -0.450 175.040 175.510 -0.033 0.000 1.033 204 N CA 0.529 53.575 53.050 -0.007 0.000 0.818 204 N CB -1.604 36.903 38.487 0.034 0.000 1.016 204 N HN 0.473 8.845 8.380 -0.014 0.000 0.566 205 N N -6.009 112.647 118.700 -0.073 0.000 2.654 205 N HA -0.504 4.221 4.740 -0.181 -0.093 0.248 205 N C -1.373 174.037 175.510 -0.166 0.000 1.116 205 N CA 1.729 54.703 53.050 -0.126 0.000 0.730 205 N CB -0.855 37.586 38.487 -0.076 0.000 1.040 205 N HN -0.071 8.264 8.380 -0.074 0.000 0.548 206 R N -4.103 116.294 120.500 -0.171 0.000 2.787 206 R HA 0.189 4.451 4.340 -0.129 0.000 0.271 206 R C -1.427 174.661 176.300 -0.353 0.000 0.993 206 R CA -1.744 54.216 56.100 -0.233 0.000 0.993 206 R CB 3.016 33.118 30.300 -0.330 0.000 1.155 206 R HN -0.592 7.577 8.270 -0.098 0.042 0.486 207 W N -1.334 119.815 121.300 -0.252 0.000 2.390 207 W HA 0.557 5.380 4.660 -0.077 -0.209 0.312 207 W C -0.177 176.066 176.519 -0.460 0.000 1.123 207 W CA -0.968 56.227 57.345 -0.251 0.000 1.202 207 W CB 1.699 30.977 29.460 -0.305 0.000 1.251 207 W HN 0.244 8.415 8.180 -0.015 0.000 0.511 208 Y N 0.569 120.860 120.300 -0.014 0.000 2.485 208 Y HA 0.478 5.160 4.550 -0.100 -0.192 0.345 208 Y C -1.367 174.506 175.900 -0.044 0.000 0.998 208 Y CA -1.533 56.530 58.100 -0.062 0.000 1.059 208 Y CB 4.611 43.045 38.460 -0.044 0.000 1.234 208 Y HN 0.966 9.399 8.280 0.256 0.000 0.461 209 Q N 2.123 121.994 119.800 0.118 0.000 2.360 209 Q HA 0.400 4.934 4.340 0.102 -0.132 0.254 209 Q C -0.621 175.509 176.000 0.216 0.000 0.975 209 Q CA -1.064 54.804 55.803 0.109 0.000 0.912 209 Q CB 1.663 30.428 28.738 0.046 0.000 1.212 209 Q HN 0.552 8.899 8.270 0.128 0.000 0.452 210 M N 5.586 125.359 119.600 0.288 0.000 2.447 210 M HA 0.124 4.733 4.480 0.215 0.000 0.266 210 M C -0.280 176.269 176.300 0.414 0.000 1.120 210 M CA 0.069 55.542 55.300 0.288 0.000 1.166 210 M CB 0.761 33.490 32.600 0.215 0.000 1.349 210 M HN 0.222 8.705 8.290 0.321 0.000 0.463 211 G N -4.260 104.863 108.800 0.537 0.000 2.730 211 G HA2 0.573 4.928 3.960 0.322 0.000 0.289 211 G HA3 0.573 4.609 3.960 0.127 0.000 0.289 211 G C -3.036 172.064 174.900 0.333 0.000 1.341 211 G CA -1.482 43.835 45.100 0.362 0.000 0.932 211 G HN -0.585 8.092 8.290 0.645 0.000 0.481 212 I N -2.206 118.519 120.570 0.259 0.000 2.689 212 I HA 0.682 5.237 4.170 0.281 -0.216 0.299 212 I C -1.134 175.123 176.117 0.232 0.000 1.059 212 I CA -1.803 59.648 61.300 0.252 0.000 1.055 212 I CB 4.651 42.763 38.000 0.187 0.000 1.243 212 I HN -0.518 7.867 8.210 0.162 -0.078 0.425 213 V N 3.209 123.229 119.914 0.177 0.000 2.470 213 V HA -0.086 3.738 4.120 -0.493 0.000 0.276 213 V C -1.032 175.060 176.094 -0.002 0.000 1.040 213 V CA 1.388 63.643 62.300 -0.075 0.000 1.008 213 V CB -0.481 31.360 31.823 0.029 0.000 0.990 213 V HN 0.127 8.440 8.190 0.205 0.000 0.477 214 S N 7.602 123.229 115.700 -0.122 0.000 2.811 214 S HA 0.430 5.227 4.470 0.390 -0.092 0.237 214 S C -1.105 173.614 174.600 0.198 0.000 1.038 214 S CA 1.455 59.757 58.200 0.169 0.000 0.881 214 S CB 2.238 65.539 63.200 0.168 0.000 0.815 214 S HN -0.032 7.998 8.310 -0.466 0.000 0.582 215 W N -2.078 119.159 121.300 -0.105 0.000 2.826 215 W HA 0.354 4.948 4.660 -0.109 0.000 0.410 215 W C -2.692 173.826 176.519 -0.002 0.000 1.128 215 W CA -0.280 57.014 57.345 -0.086 0.000 1.176 215 W CB 1.351 30.746 29.460 -0.109 0.000 1.475 215 W HN -0.533 7.426 8.180 -0.368 0.000 0.588 216 G N -1.633 107.401 108.800 0.390 0.000 2.356 216 G HA2 0.054 4.089 3.960 0.125 0.000 0.294 216 G HA3 0.054 4.040 3.960 0.043 0.000 0.294 216 G C -1.581 173.528 174.900 0.348 0.000 1.423 216 G CA -0.200 45.032 45.100 0.219 0.000 0.806 216 G HN -0.287 8.362 8.290 0.599 0.000 0.527 220 c N 1.634 120.253 118.600 0.032 0.000 3.074 220 c HA 0.397 5.139 4.570 0.027 -0.155 0.224 220 c C -1.353 172.750 174.090 0.022 0.000 1.988 220 c CA -1.072 55.275 56.329 0.030 0.000 1.470 220 c CB -1.042 41.491 42.510 0.038 0.000 2.762 220 c HN 0.116 8.634 8.230 0.029 -0.270 0.502 221 R N -0.984 119.496 120.500 -0.032 0.000 2.728 221 R HA 0.182 4.511 4.340 -0.017 0.000 0.259 221 R C -2.029 174.227 176.300 -0.074 0.000 1.057 221 R CA -0.260 55.819 56.100 -0.036 0.000 0.908 221 R CB 2.815 33.098 30.300 -0.029 0.000 1.259 221 R HN -0.380 7.863 8.270 -0.045 0.000 0.472 222 D N 1.904 122.271 120.400 -0.055 0.000 2.302 222 D HA 0.030 4.615 4.640 -0.092 0.000 0.248 222 D C 0.866 177.102 176.300 -0.107 0.000 1.094 222 D CA 1.060 55.016 54.000 -0.073 0.000 0.897 222 D CB 0.330 41.113 40.800 -0.029 0.000 1.200 222 D HN 0.205 8.556 8.370 -0.031 0.000 0.429 223 G N 1.126 109.818 108.800 -0.180 0.000 2.176 223 G HA2 -0.450 3.448 3.960 -0.104 0.000 0.253 223 G HA3 -0.450 3.473 3.960 -0.062 0.000 0.253 223 G C -1.023 173.694 174.900 -0.305 0.000 0.979 223 G CA 0.205 45.207 45.100 -0.164 0.000 0.641 223 G HN 0.429 8.592 8.290 -0.212 0.000 0.530 224 K N -1.164 118.949 120.400 -0.479 0.000 2.352 224 K HA 0.425 4.627 4.320 -0.196 0.000 0.240 224 K C -1.614 174.480 176.600 -0.844 0.000 1.017 224 K CA -1.356 54.691 56.287 -0.400 0.000 0.851 224 K CB 2.919 35.347 32.500 -0.119 0.000 1.261 224 K HN -0.903 7.018 8.250 -0.430 0.071 0.451 225 Y N -2.940 117.326 120.300 -0.057 0.000 2.715 225 Y HA 0.106 4.583 4.550 -0.122 0.000 0.331 225 Y C -1.310 174.384 175.900 -0.344 0.000 1.197 225 Y CA -0.621 57.356 58.100 -0.206 0.000 1.079 225 Y CB 3.366 41.632 38.460 -0.324 0.000 1.298 225 Y HN 0.133 8.421 8.280 0.013 0.000 0.477 226 G N -1.952 106.707 108.800 -0.236 0.000 2.388 226 G HA2 0.478 4.217 3.960 -0.369 0.000 0.330 226 G HA3 0.478 4.280 3.960 -0.264 0.000 0.330 226 G C -2.473 171.973 174.900 -0.757 0.000 1.142 226 G CA -1.535 43.324 45.100 -0.401 0.000 0.908 226 G HN -0.052 8.190 8.290 -0.081 0.000 0.473 227 F N 1.193 120.624 119.950 -0.866 0.000 2.492 227 F HA 0.816 5.266 4.527 -0.450 -0.192 0.327 227 F C -0.642 174.603 175.800 -0.925 0.000 1.079 227 F CA -1.271 56.223 58.000 -0.843 0.000 0.967 227 F CB 3.900 42.078 39.000 -1.370 0.000 1.169 227 F HN 0.436 8.273 8.300 -0.772 0.000 0.472 228 Y N -0.373 119.551 120.300 -0.626 0.000 2.545 228 Y HA 0.652 5.107 4.550 -0.344 -0.111 0.348 228 Y C 0.137 175.785 175.900 -0.419 0.000 1.002 228 Y CA -1.692 56.026 58.100 -0.637 0.000 1.039 228 Y CB 3.467 41.200 38.460 -1.212 0.000 1.271 228 Y HN 0.895 8.963 8.280 -0.354 0.000 0.467 229 T N 3.383 117.934 114.554 -0.005 0.000 2.918 229 T HA -0.021 4.564 4.350 0.151 -0.145 0.302 229 T C -0.470 174.337 174.700 0.179 0.000 1.045 229 T CA 1.027 63.200 62.100 0.122 0.000 1.114 229 T CB 0.749 69.711 68.868 0.157 0.000 0.965 229 T HN 0.157 8.418 8.240 0.036 0.000 0.540 230 H N 7.669 126.856 119.070 0.195 0.000 2.680 230 H HA 0.097 4.935 4.556 0.470 0.000 0.224 230 H C 0.622 176.101 175.328 0.252 0.000 1.866 230 H CA -1.633 54.596 56.048 0.302 0.000 1.302 230 H CB -1.442 28.478 29.762 0.263 0.000 1.709 230 H HN -0.063 8.417 8.280 0.333 0.000 0.537 231 V N 4.164 124.308 119.914 0.383 0.000 2.251 231 V HA -0.631 3.662 4.120 0.287 0.000 0.259 231 V C 1.559 177.860 176.094 0.345 0.000 1.078 231 V CA 4.387 66.885 62.300 0.330 0.000 1.072 231 V CB -0.537 31.463 31.823 0.295 0.000 0.681 231 V HN -0.373 7.963 8.190 0.330 0.053 0.454 232 F N -0.586 119.553 119.950 0.314 0.000 2.095 232 F HA -0.306 4.319 4.527 0.164 0.000 0.298 232 F C 1.729 177.644 175.800 0.192 0.000 1.104 232 F CA 2.703 60.842 58.000 0.231 0.000 1.232 232 F CB -0.095 39.034 39.000 0.214 0.000 0.987 232 F HN -0.347 8.281 8.300 0.547 0.000 0.475 233 R N -3.387 117.163 120.500 0.083 0.000 2.241 233 R HA -0.248 3.859 4.340 -0.389 0.000 0.224 233 R C 0.799 177.025 176.300 -0.124 0.000 1.101 233 R CA 2.214 58.187 56.100 -0.212 0.000 0.995 233 R CB 0.019 30.133 30.300 -0.310 0.000 0.870 233 R HN -0.559 8.009 8.270 0.621 0.074 0.463 234 L N -4.193 117.040 121.223 0.016 0.000 2.959 234 L HA 0.333 4.738 4.340 0.107 0.000 0.259 234 L C -0.052 176.911 176.870 0.156 0.000 1.185 234 L CA -1.001 53.915 54.840 0.127 0.000 0.998 234 L CB 0.355 42.543 42.059 0.214 0.000 1.337 234 L HN -0.292 7.808 8.230 0.097 0.188 0.555 235 K N 1.818 122.210 120.400 -0.013 0.000 2.103 235 K HA -0.407 3.959 4.320 0.078 0.000 0.207 235 K C 1.306 177.896 176.600 -0.017 0.000 1.048 235 K CA 3.910 60.192 56.287 -0.009 0.000 0.930 235 K CB -0.245 32.195 32.500 -0.099 0.000 0.716 235 K HN -0.139 7.819 8.250 -0.153 0.200 0.444 236 K N -2.865 117.508 120.400 -0.045 0.000 2.147 236 K HA -0.217 4.069 4.320 -0.056 0.000 0.205 236 K C 1.953 178.558 176.600 0.009 0.000 1.049 236 K CA 2.309 58.580 56.287 -0.027 0.000 0.936 236 K CB -1.242 31.244 32.500 -0.023 0.000 0.722 236 K HN 0.271 8.459 8.250 -0.104 0.000 0.446 237 W N 0.954 122.215 121.300 -0.065 0.000 2.354 237 W HA -0.320 4.279 4.660 -0.101 0.000 0.315 237 W C 1.540 177.994 176.519 -0.108 0.000 1.206 237 W CA 3.825 61.120 57.345 -0.083 0.000 1.290 237 W CB -0.129 29.296 29.460 -0.058 0.000 1.152 237 W HN -0.707 7.606 8.180 0.248 0.016 0.489 238 I N -1.543 118.949 120.570 -0.130 0.000 2.068 238 I HA -0.812 2.936 4.170 -0.703 0.000 0.238 238 I C 2.062 177.887 176.117 -0.487 0.000 1.046 238 I CA 4.315 65.384 61.300 -0.386 0.000 1.306 238 I CB -0.476 37.474 38.000 -0.082 0.000 1.023 238 I HN -0.512 7.756 8.210 0.200 0.062 0.399 239 Q N -1.837 117.787 119.800 -0.293 0.000 2.029 239 Q HA -0.498 3.669 4.340 -0.289 0.000 0.209 239 Q C 2.169 177.967 176.000 -0.336 0.000 0.999 239 Q CA 3.397 59.037 55.803 -0.273 0.000 0.857 239 Q CB -0.349 28.295 28.738 -0.156 0.000 0.926 239 Q HN -0.128 8.032 8.270 -0.184 0.000 0.415 240 K N 0.024 120.239 120.400 -0.308 0.000 2.015 240 K HA -0.387 3.929 4.320 -0.250 -0.147 0.216 240 K C 2.662 179.004 176.600 -0.431 0.000 1.052 240 K CA 3.260 59.361 56.287 -0.310 0.000 0.937 240 K CB 0.014 32.377 32.500 -0.228 0.000 0.719 240 K HN -0.109 7.991 8.250 -0.251 0.000 0.446 241 V N -2.153 117.397 119.914 -0.607 0.000 2.626 241 V HA -0.266 3.673 4.120 -0.301 0.000 0.252 241 V C 1.615 177.390 176.094 -0.532 0.000 1.067 241 V CA 2.824 64.811 62.300 -0.522 0.000 1.081 241 V CB -0.172 31.128 31.823 -0.871 0.000 0.686 241 V HN -0.322 7.390 8.190 -0.796 0.000 0.468 242 I N 1.049 121.199 120.570 -0.700 0.000 2.110 242 I HA -0.584 2.964 4.170 -1.036 0.000 0.236 242 I C 1.192 177.111 176.117 -0.330 0.000 1.068 242 I CA 4.420 65.280 61.300 -0.732 0.000 1.333 242 I CB -0.276 37.253 38.000 -0.785 0.000 1.054 242 I HN -0.099 7.585 8.210 -0.695 0.108 0.402 243 D N -1.935 118.290 120.400 -0.291 0.000 2.309 243 D HA -0.232 4.450 4.640 -0.124 -0.116 0.212 243 D C 1.807 177.967 176.300 -0.233 0.000 0.968 243 D CA 2.202 56.087 54.000 -0.192 0.000 0.882 243 D CB -0.361 40.340 40.800 -0.164 0.000 0.918 243 D HN -0.072 8.101 8.370 -0.327 0.000 0.503 244 Q N -2.253 117.317 119.800 -0.383 0.000 2.269 244 Q HA -0.095 3.989 4.340 -0.426 0.000 0.201 244 Q C 0.675 176.234 176.000 -0.735 0.000 0.946 244 Q CA 1.922 57.353 55.803 -0.619 0.000 0.877 244 Q CB 0.861 29.046 28.738 -0.921 0.000 0.963 244 Q HN -0.320 7.570 8.270 -0.407 0.135 0.472 245 F N -3.671 116.262 119.950 -0.027 0.000 2.724 245 F HA 0.332 4.929 4.527 0.116 0.000 0.310 245 F C -1.176 174.768 175.800 0.240 0.000 1.107 245 F CA -0.646 57.428 58.000 0.122 0.000 1.218 245 F CB 1.316 40.433 39.000 0.195 0.000 1.042 245 F HN -0.473 7.585 8.300 -0.236 0.100 0.540 246 G N -2.335 106.643 108.800 0.297 0.000 2.288 246 G HA2 -0.141 3.950 3.960 0.217 0.000 0.227 246 G HA3 -0.141 4.096 3.960 0.461 0.000 0.227 246 G C -3.298 171.794 174.900 0.320 0.000 1.339 246 G CA 0.456 45.760 45.100 0.341 0.000 1.057 246 G HN -0.416 7.947 8.290 0.122 0.000 0.470 247 E N 0.000 120.490 120.200 0.483 0.000 2.725 247 E HA 0.000 4.488 4.350 0.229 0.000 0.291 247 E CA 0.000 56.638 56.400 0.397 0.000 0.976 247 E CB 0.000 29.808 29.700 0.181 0.000 0.812 247 E HN 0.000 8.671 8.360 0.519 0.000 0.440