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 1c5n_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 4.215 4.170 0.075 0.000 0.288 16 I C 0.000 176.151 176.117 0.056 0.000 1.063 16 I CA 0.000 61.336 61.300 0.060 0.000 1.566 16 I CB 0.000 38.021 38.000 0.035 0.000 1.214 17 V N 5.902 125.854 119.914 0.064 0.000 2.398 17 V HA 0.288 4.593 4.120 0.048 -0.155 0.286 17 V C 0.167 176.296 176.094 0.060 0.000 1.026 17 V CA -1.437 60.898 62.300 0.057 0.000 0.868 17 V CB 1.554 33.412 31.823 0.058 0.000 0.982 17 V HN 0.865 8.994 8.190 0.076 0.107 0.443 18 E N 2.466 122.693 120.200 0.046 0.000 2.513 18 E HA -0.416 3.952 4.350 0.030 0.000 0.257 18 E C -1.132 175.496 176.600 0.047 0.000 1.098 18 E CA 1.131 57.556 56.400 0.041 0.000 0.752 18 E CB -2.342 27.384 29.700 0.042 0.000 1.324 18 E HN 0.941 9.325 8.360 0.039 0.000 0.403 19 G N -3.996 104.828 108.800 0.041 0.000 2.820 19 G HA2 0.445 4.432 3.960 0.047 0.000 0.291 19 G HA3 0.445 4.453 3.960 0.032 -0.029 0.291 19 G C -1.653 173.258 174.900 0.019 0.000 1.323 19 G CA -1.004 44.117 45.100 0.035 0.000 1.055 19 G HN -0.513 7.799 8.290 0.036 0.000 0.520 20 S N -1.647 114.058 115.700 0.009 0.000 2.709 20 S HA 0.294 4.768 4.470 0.007 0.000 0.302 20 S C -1.504 173.090 174.600 -0.010 0.000 1.127 20 S CA -1.355 56.848 58.200 0.004 0.000 0.905 20 S CB 3.048 66.254 63.200 0.010 0.000 1.151 20 S HN 0.472 8.786 8.310 0.006 0.000 0.510 21 D N 1.189 121.587 120.400 -0.003 0.000 2.414 21 D HA -0.039 4.854 4.640 -0.041 -0.277 0.242 21 D C 0.253 176.555 176.300 0.004 0.000 1.129 21 D CA 0.797 54.792 54.000 -0.008 0.000 0.885 21 D CB 0.241 41.055 40.800 0.024 0.000 1.198 21 D HN 0.134 8.507 8.370 0.006 0.000 0.437 22 A N 4.283 127.101 122.820 -0.003 0.000 2.296 22 A HA -0.013 4.291 4.320 -0.028 0.000 0.264 22 A C -0.514 177.128 177.584 0.098 0.000 1.097 22 A CA -0.599 51.443 52.037 0.009 0.000 0.811 22 A CB 1.605 20.578 19.000 -0.044 0.000 1.072 22 A HN 0.728 8.740 8.150 -0.053 0.107 0.495 23 E N -1.094 119.112 120.200 0.010 0.000 2.280 23 E HA 0.103 4.448 4.350 -0.009 0.000 0.264 23 E C -0.597 175.946 176.600 -0.096 0.000 1.064 23 E CA -1.780 54.603 56.400 -0.029 0.000 0.900 23 E CB 1.204 30.872 29.700 -0.053 0.000 1.123 23 E HN -0.057 8.280 8.360 -0.039 0.000 0.418 24 I N 0.726 121.184 120.570 -0.188 0.000 2.618 24 I HA -0.133 3.811 4.170 -0.377 0.000 0.284 24 I C 1.082 177.136 176.117 -0.105 0.000 1.146 24 I CA 0.832 61.990 61.300 -0.236 0.000 1.425 24 I CB -0.479 37.399 38.000 -0.203 0.000 1.383 24 I HN 0.197 8.312 8.210 -0.159 0.000 0.562 25 G N 4.834 113.594 108.800 -0.066 0.000 2.153 25 G HA2 -0.405 3.497 3.960 -0.095 0.000 0.252 25 G HA3 -0.405 3.476 3.960 -0.131 0.000 0.252 25 G C -0.104 174.642 174.900 -0.257 0.000 0.994 25 G CA 0.718 45.742 45.100 -0.127 0.000 0.698 25 G HN 0.142 8.411 8.290 -0.036 0.000 0.521 26 M N -0.999 118.446 119.600 -0.259 0.000 2.200 26 M HA -0.191 4.103 4.480 -0.310 0.000 0.265 26 M C -0.637 175.293 176.300 -0.618 0.000 1.066 26 M CA 2.511 57.604 55.300 -0.345 0.000 1.127 26 M CB 0.875 33.332 32.600 -0.238 0.000 1.379 26 M HN -0.656 7.473 8.290 -0.188 0.048 0.420 27 S N -3.521 111.773 115.700 -0.676 0.000 2.128 27 S HA 0.478 3.859 4.470 -1.814 0.000 0.157 27 S C -1.786 172.148 174.600 -1.110 0.000 1.650 27 S CA -2.136 55.376 58.200 -1.148 0.000 1.269 27 S CB 0.274 63.079 63.200 -0.659 0.000 1.227 27 S HN -0.076 7.956 8.310 -0.464 0.000 0.405 28 P HA 0.102 4.458 4.420 -0.287 -0.109 0.231 28 P C 0.024 177.151 177.300 -0.288 0.000 1.158 28 P CA 1.560 64.363 63.100 -0.496 0.000 0.763 28 P CB -0.014 31.485 31.700 -0.335 0.000 0.805 29 W N -5.437 115.842 121.300 -0.035 0.000 3.197 29 W HA 0.268 4.991 4.660 -0.015 -0.073 0.274 29 W C -0.617 175.920 176.519 0.029 0.000 1.297 29 W CA -2.982 54.354 57.345 -0.015 0.000 1.662 29 W CB -1.286 28.153 29.460 -0.036 0.000 1.106 29 W HN -0.501 6.638 8.180 -1.593 0.084 0.663 30 Q N 2.570 122.383 119.800 0.021 0.000 2.274 30 Q HA 0.027 4.479 4.340 0.187 0.000 0.280 30 Q C -1.097 175.027 176.000 0.207 0.000 1.047 30 Q CA 0.655 56.517 55.803 0.098 0.000 0.907 30 Q CB 0.024 28.696 28.738 -0.111 0.000 1.171 30 Q HN -0.304 7.621 8.270 -0.287 0.172 0.381 31 V N 5.110 125.185 119.914 0.267 0.000 2.960 31 V HA 0.386 4.776 4.120 0.262 -0.113 0.315 31 V C -1.410 174.904 176.094 0.368 0.000 1.087 31 V CA -1.869 60.599 62.300 0.280 0.000 0.982 31 V CB 3.798 35.753 31.823 0.219 0.000 1.039 31 V HN 0.174 8.516 8.190 0.253 0.000 0.437 32 M N 3.129 122.888 119.600 0.264 0.000 2.253 32 M HA 0.423 5.212 4.480 0.317 -0.119 0.314 32 M C -2.053 174.345 176.300 0.164 0.000 1.019 32 M CA -1.174 54.246 55.300 0.200 0.000 0.932 32 M CB 3.434 35.967 32.600 -0.112 0.000 1.606 32 M HN -0.044 8.359 8.290 0.188 0.000 0.430 33 L N 6.127 127.455 121.223 0.176 0.000 2.265 33 L HA 0.405 4.965 4.340 0.150 -0.129 0.288 33 L C -1.798 175.186 176.870 0.190 0.000 1.058 33 L CA -0.647 54.285 54.840 0.152 0.000 0.809 33 L CB 0.617 42.739 42.059 0.105 0.000 1.179 33 L HN 0.873 9.112 8.230 0.190 0.105 0.429 34 F N 5.475 125.424 119.950 -0.002 0.000 2.495 34 F HA 0.765 5.430 4.527 -0.027 -0.154 0.327 34 F C -2.074 173.717 175.800 -0.016 0.000 1.103 34 F CA -1.920 56.067 58.000 -0.022 0.000 0.949 34 F CB 4.464 43.441 39.000 -0.039 0.000 1.142 34 F HN 0.998 9.446 8.300 0.248 0.000 0.457 35 R N 4.518 124.714 120.500 -0.507 0.000 2.562 35 R HA 0.411 4.662 4.340 -0.148 0.000 0.217 35 R C 0.130 176.224 176.300 -0.344 0.000 1.234 35 R CA -1.700 54.206 56.100 -0.324 0.000 1.027 35 R CB 2.457 32.574 30.300 -0.304 0.000 1.525 35 R HN 0.939 8.597 8.270 -0.840 0.108 0.527 36 S N -0.526 115.119 115.700 -0.092 0.000 2.488 36 S HA 0.146 4.629 4.470 -0.086 -0.064 0.278 36 S C -0.985 173.562 174.600 -0.089 0.000 1.259 36 S CA -1.253 56.898 58.200 -0.081 0.000 1.061 36 S CB 0.076 63.248 63.200 -0.047 0.000 0.910 36 S HN -0.265 7.993 8.310 -0.086 0.000 0.491 37 P HA -0.031 4.341 4.420 -0.080 0.000 0.269 37 P C -1.813 175.369 177.300 -0.197 0.000 1.215 37 P CA -0.392 62.643 63.100 -0.108 0.000 0.780 37 P CB 0.677 32.324 31.700 -0.088 0.000 0.898 38 Q N 0.600 120.287 119.800 -0.188 0.000 2.307 38 Q HA 0.077 4.350 4.340 -0.606 -0.296 0.261 38 Q C -0.820 174.878 176.000 -0.505 0.000 1.051 38 Q CA 0.158 55.734 55.803 -0.379 0.000 0.911 38 Q CB 0.443 29.195 28.738 0.023 0.000 1.227 38 Q HN 0.219 8.428 8.270 -0.103 0.000 0.418 39 E N 1.834 121.508 120.200 -0.877 0.000 2.430 39 E HA 0.220 4.405 4.350 -0.275 0.000 0.279 39 E C -2.631 173.680 176.600 -0.482 0.000 1.003 39 E CA -2.232 53.876 56.400 -0.486 0.000 0.801 39 E CB 2.829 32.391 29.700 -0.231 0.000 1.313 39 E HN -0.025 7.634 8.360 -1.167 0.000 0.459 40 L N 0.961 122.117 121.223 -0.112 0.000 2.360 40 L HA 0.074 4.491 4.340 0.128 0.000 0.276 40 L C -1.450 175.420 176.870 -0.000 0.000 1.121 40 L CA 1.187 56.050 54.840 0.039 0.000 0.845 40 L CB 0.255 42.364 42.059 0.083 0.000 1.143 40 L HN 0.323 8.520 8.230 -0.055 0.000 0.452 41 L N 6.658 127.895 121.223 0.023 0.000 2.347 41 L HA 0.035 4.377 4.340 0.003 0.000 0.196 41 L C -0.474 176.437 176.870 0.068 0.000 1.072 41 L CA 1.235 56.088 54.840 0.021 0.000 0.817 41 L CB 1.854 43.913 42.059 -0.000 0.000 1.029 41 L HN 0.323 8.590 8.230 0.062 0.000 0.478 42 c N -6.340 112.320 118.600 0.100 0.000 3.272 42 c HA 0.253 4.906 4.570 0.137 0.000 0.363 42 c C -1.672 172.530 174.090 0.188 0.000 1.514 42 c CA -0.870 55.534 56.329 0.124 0.000 1.185 42 c CB 3.845 46.392 42.510 0.061 0.000 1.716 42 c HN -0.786 7.510 8.230 0.109 0.000 0.440 43 G N -1.821 107.096 108.800 0.194 0.000 2.521 43 G HA2 0.803 5.094 3.960 0.331 0.000 0.323 43 G HA3 0.803 4.898 3.960 0.225 0.000 0.323 43 G C -2.974 172.042 174.900 0.193 0.000 1.211 43 G CA -1.415 43.830 45.100 0.243 0.000 0.979 43 G HN 0.714 9.098 8.290 0.156 0.000 0.490 44 A N -2.914 120.032 122.820 0.210 0.000 2.511 44 A HA 0.911 5.593 4.320 0.175 -0.257 0.293 44 A C -2.437 175.276 177.584 0.215 0.000 1.098 44 A CA -0.315 51.837 52.037 0.192 0.000 0.643 44 A CB 2.636 21.744 19.000 0.179 0.000 1.302 44 A HN -0.449 7.842 8.150 0.236 0.000 0.446 45 S N -2.627 113.200 115.700 0.211 0.000 2.564 45 S HA 0.925 5.776 4.470 0.268 -0.220 0.274 45 S C -1.067 173.661 174.600 0.214 0.000 1.124 45 S CA -1.694 56.645 58.200 0.232 0.000 0.869 45 S CB 3.911 67.234 63.200 0.206 0.000 1.105 45 S HN 0.404 8.833 8.310 0.198 0.000 0.472 46 L N 3.782 125.141 121.223 0.226 0.000 2.264 46 L HA 0.427 5.017 4.340 0.206 -0.127 0.289 46 L C -0.539 176.420 176.870 0.148 0.000 1.044 46 L CA -0.527 54.431 54.840 0.196 0.000 0.807 46 L CB 1.600 43.772 42.059 0.189 0.000 1.192 46 L HN 0.337 8.735 8.230 0.279 0.000 0.425 47 I N -0.750 119.913 120.570 0.155 0.000 4.035 47 I HA 0.500 4.691 4.170 0.035 0.000 0.321 47 I C -0.820 175.365 176.117 0.113 0.000 1.289 47 I CA -0.483 60.875 61.300 0.096 0.000 1.236 47 I CB 1.586 39.643 38.000 0.094 0.000 1.076 47 I HN 0.188 8.522 8.210 0.208 0.000 0.418 48 S N -0.944 114.880 115.700 0.207 0.000 2.727 48 S HA 0.173 4.782 4.470 0.231 0.000 0.278 48 S C -1.399 173.422 174.600 0.369 0.000 1.186 48 S CA -0.829 57.534 58.200 0.272 0.000 0.836 48 S CB 2.317 65.700 63.200 0.304 0.000 1.186 48 S HN -0.817 7.640 8.310 0.245 0.000 0.499 49 D N -4.225 116.402 120.400 0.379 0.000 2.363 49 D HA -0.067 4.858 4.640 0.475 0.000 0.220 49 D C 0.331 176.714 176.300 0.138 0.000 0.994 49 D CA 1.775 55.938 54.000 0.272 0.000 0.890 49 D CB -0.091 40.683 40.800 -0.043 0.000 0.906 49 D HN 0.315 8.882 8.370 0.328 0.000 0.530 50 R N -2.842 117.734 120.500 0.127 0.000 2.521 50 R HA 0.307 4.600 4.340 -0.078 0.000 0.289 50 R C -1.837 174.330 176.300 -0.222 0.000 0.936 50 R CA -0.020 56.025 56.100 -0.092 0.000 1.089 50 R CB 2.424 32.563 30.300 -0.268 0.000 1.348 50 R HN -0.558 7.798 8.270 0.240 0.058 0.536 51 W N -2.059 119.298 121.300 0.095 0.000 2.702 51 W HA 0.697 5.604 4.660 0.095 -0.190 0.331 51 W C -1.350 175.231 176.519 0.104 0.000 1.049 51 W CA -0.787 56.612 57.345 0.090 0.000 1.230 51 W CB 2.947 32.443 29.460 0.059 0.000 1.408 51 W HN -0.464 7.933 8.180 0.363 0.000 0.492 52 V N 1.731 121.859 119.914 0.358 0.000 2.628 52 V HA 0.816 5.260 4.120 0.248 -0.175 0.306 52 V C -1.987 174.273 176.094 0.277 0.000 1.045 52 V CA -1.377 61.082 62.300 0.265 0.000 0.905 52 V CB 3.332 35.275 31.823 0.200 0.000 0.997 52 V HN 0.717 9.133 8.190 0.378 0.000 0.436 53 L N 6.616 127.979 121.223 0.232 0.000 2.322 53 L HA 0.798 5.416 4.340 0.248 -0.129 0.281 53 L C -1.705 175.280 176.870 0.192 0.000 1.014 53 L CA -1.349 53.623 54.840 0.221 0.000 0.815 53 L CB 3.217 45.393 42.059 0.194 0.000 1.247 53 L HN 0.879 9.130 8.230 0.215 0.108 0.421 54 T N 5.361 120.022 114.554 0.177 0.000 2.647 54 T HA 0.479 5.064 4.350 0.132 -0.155 0.295 54 T C -2.204 172.545 174.700 0.081 0.000 1.126 54 T CA -2.677 59.497 62.100 0.123 0.000 1.040 54 T CB 2.727 71.654 68.868 0.099 0.000 1.472 54 T HN 0.596 8.957 8.240 0.201 0.000 0.500 55 A N 0.022 122.839 122.820 -0.005 0.000 2.301 55 A HA 0.398 4.865 4.320 0.001 -0.147 0.312 55 A C 0.608 178.077 177.584 -0.192 0.000 1.182 55 A CA -1.771 50.218 52.037 -0.079 0.000 0.826 55 A CB 1.078 19.983 19.000 -0.157 0.000 1.134 55 A HN 0.378 8.514 8.150 -0.024 0.000 0.501 56 A N 5.368 128.041 122.820 -0.245 0.000 1.972 56 A HA -0.267 3.905 4.320 -0.247 0.000 0.219 56 A C 1.333 178.693 177.584 -0.375 0.000 1.169 56 A CA 3.094 54.871 52.037 -0.433 0.000 0.635 56 A CB -0.595 17.805 19.000 -1.000 0.000 0.810 56 A HN 0.703 8.741 8.150 -0.195 -0.005 0.446 57 H N -4.823 114.119 119.070 -0.213 0.000 2.545 57 H HA -0.095 4.762 4.556 0.145 -0.214 0.282 57 H C 1.626 176.975 175.328 0.036 0.000 1.020 57 H CA 2.126 58.201 56.048 0.045 0.000 1.243 57 H CB -1.378 28.480 29.762 0.161 0.000 1.377 57 H HN -0.004 8.473 8.280 -0.155 -0.290 0.581 58 c N -2.188 116.206 118.600 -0.345 0.000 2.448 58 c HA -0.091 4.405 4.570 -0.124 0.000 0.280 58 c C 0.085 174.139 174.090 -0.061 0.000 1.398 58 c CA 2.202 58.414 56.329 -0.195 0.000 1.774 58 c CB -1.353 41.034 42.510 -0.204 0.000 1.888 58 c HN -0.518 7.266 8.230 -0.456 0.172 0.519 59 L N -3.331 117.857 121.223 -0.058 0.000 2.331 59 L HA 0.310 4.637 4.340 -0.021 0.000 0.268 59 L C 0.025 176.888 176.870 -0.012 0.000 1.015 59 L CA -0.734 54.091 54.840 -0.026 0.000 0.807 59 L CB 1.636 43.682 42.059 -0.021 0.000 1.293 59 L HN -0.546 7.471 8.230 -0.097 0.155 0.451 60 T N 0.685 115.220 114.554 -0.031 0.000 2.948 60 T HA 0.310 4.636 4.350 -0.041 0.000 0.285 60 T C 0.859 175.538 174.700 -0.034 0.000 1.019 60 T CA -1.529 60.550 62.100 -0.036 0.000 1.013 60 T CB 1.575 70.421 68.868 -0.036 0.000 1.117 60 T HN 0.373 8.864 8.240 -0.031 -0.270 0.533 61 E N 3.632 123.805 120.200 -0.044 0.000 2.086 61 E HA -0.423 3.904 4.350 -0.038 0.000 0.205 61 E C 1.950 178.534 176.600 -0.027 0.000 1.027 61 E CA 3.592 59.967 56.400 -0.042 0.000 0.830 61 E CB -0.561 29.106 29.700 -0.056 0.000 0.751 61 E HN 0.626 8.953 8.360 -0.055 0.000 0.456 62 N N -3.075 115.608 118.700 -0.029 0.000 2.609 62 N HA -0.186 4.542 4.740 -0.018 0.000 0.190 62 N C -0.234 175.264 175.510 -0.019 0.000 1.157 62 N CA 1.785 54.822 53.050 -0.022 0.000 0.918 62 N CB -0.810 37.663 38.487 -0.024 0.000 0.978 62 N HN 0.198 8.553 8.380 -0.034 0.004 0.448 63 D N -2.207 118.181 120.400 -0.020 0.000 2.379 63 D HA 0.155 4.780 4.640 -0.025 0.000 0.208 63 D C -1.299 174.990 176.300 -0.018 0.000 1.065 63 D CA 0.652 54.638 54.000 -0.024 0.000 0.848 63 D CB 1.147 41.928 40.800 -0.031 0.000 0.949 63 D HN 0.068 8.226 8.370 -0.022 0.198 0.509 64 L N -2.718 118.504 121.223 -0.002 0.000 2.279 64 L HA 0.674 5.159 4.340 0.018 -0.134 0.262 64 L C -1.484 175.417 176.870 0.052 0.000 1.019 64 L CA -1.283 53.571 54.840 0.023 0.000 0.823 64 L CB 3.841 45.914 42.059 0.024 0.000 1.358 64 L HN -0.814 7.369 8.230 -0.004 0.045 0.432 65 L N -2.746 118.535 121.223 0.098 0.000 2.409 65 L HA 0.613 5.121 4.340 0.073 -0.124 0.262 65 L C -1.853 175.092 176.870 0.125 0.000 0.992 65 L CA -1.316 53.591 54.840 0.112 0.000 0.817 65 L CB 4.954 47.110 42.059 0.162 0.000 1.350 65 L HN 0.269 8.568 8.230 0.116 0.000 0.411 66 V N 2.230 122.198 119.914 0.091 0.000 2.417 66 V HA 0.502 4.858 4.120 0.114 -0.167 0.291 66 V C -1.529 174.604 176.094 0.066 0.000 1.024 66 V CA -1.120 61.236 62.300 0.093 0.000 0.861 66 V CB 2.459 34.334 31.823 0.087 0.000 0.985 66 V HN 0.503 8.735 8.190 0.071 0.000 0.436 67 R N 7.389 127.919 120.500 0.049 0.000 2.343 67 R HA 0.691 5.201 4.340 0.006 -0.166 0.320 67 R C -0.908 175.422 176.300 0.050 0.000 0.956 67 R CA -1.316 54.783 56.100 -0.002 0.000 0.836 67 R CB 1.641 31.866 30.300 -0.124 0.000 1.151 67 R HN 0.585 8.898 8.270 0.071 0.000 0.450 68 I N 1.491 122.100 120.570 0.065 0.000 2.530 68 I HA 0.264 4.518 4.170 0.141 0.000 0.297 68 I C -0.145 176.026 176.117 0.089 0.000 1.011 68 I CA -1.725 59.639 61.300 0.107 0.000 1.107 68 I CB 2.844 40.920 38.000 0.126 0.000 1.285 68 I HN 0.941 9.064 8.210 0.050 0.117 0.436 69 G N 3.932 112.801 108.800 0.116 0.000 2.144 69 G HA2 -0.435 3.816 3.960 0.139 0.000 0.218 69 G HA3 -0.435 3.577 3.960 0.088 0.000 0.218 69 G C -1.102 173.843 174.900 0.074 0.000 0.988 69 G CA -0.043 45.120 45.100 0.105 0.000 0.659 69 G HN 0.536 8.911 8.290 0.141 0.000 0.522 70 K N -1.755 118.732 120.400 0.144 0.000 2.098 70 K HA 0.142 4.611 4.320 0.058 -0.115 0.257 70 K C -1.626 175.207 176.600 0.389 0.000 0.999 70 K CA 0.031 56.431 56.287 0.188 0.000 0.924 70 K CB 1.009 33.557 32.500 0.080 0.000 1.028 70 K HN -0.412 7.951 8.250 0.188 0.000 0.466 71 H N 1.029 120.223 119.070 0.206 0.000 1.920 71 H HA 0.228 4.921 4.556 0.229 0.000 0.186 71 H C 0.275 175.795 175.328 0.320 0.000 0.924 71 H CA 0.947 57.121 56.048 0.211 0.000 1.039 71 H CB 3.352 33.137 29.762 0.038 0.000 1.126 71 H HN 0.141 8.973 8.280 0.209 -0.427 0.379 72 S N -0.335 115.436 115.700 0.117 0.000 2.562 72 S HA -0.021 4.614 4.470 -0.002 -0.166 0.281 72 S C 0.732 175.291 174.600 -0.069 0.000 1.333 72 S CA 0.400 58.612 58.200 0.020 0.000 1.052 72 S CB 1.038 64.236 63.200 -0.004 0.000 0.884 72 S HN -0.277 8.560 8.310 0.158 -0.432 0.506 73 R N 6.465 126.909 120.500 -0.093 0.000 2.075 73 R HA -0.121 3.611 4.340 -1.014 0.000 0.226 73 R C 1.259 177.385 176.300 -0.290 0.000 1.114 73 R CA 3.036 58.901 56.100 -0.391 0.000 0.972 73 R CB 0.280 30.520 30.300 -0.100 0.000 0.869 73 R HN 1.098 9.250 8.270 0.011 0.124 0.437 74 T N -5.857 108.617 114.554 -0.132 0.000 3.037 74 T HA 0.091 4.393 4.350 -0.080 0.000 0.251 74 T C 0.678 175.335 174.700 -0.070 0.000 1.079 74 T CA 0.088 62.140 62.100 -0.080 0.000 1.067 74 T CB 0.667 69.521 68.868 -0.023 0.000 0.948 74 T HN -0.096 8.094 8.240 -0.084 0.000 0.496 75 R N 1.679 122.134 120.500 -0.074 0.000 2.459 75 R HA 0.192 4.526 4.340 -0.011 0.000 0.281 75 R C -0.906 175.361 176.300 -0.055 0.000 1.050 75 R CA -1.345 54.728 56.100 -0.044 0.000 1.055 75 R CB 0.470 30.747 30.300 -0.039 0.000 1.045 75 R HN -0.733 7.486 8.270 -0.084 0.000 0.495 76 Y N 4.281 124.506 120.300 -0.124 0.000 2.488 76 Y HA 0.526 5.120 4.550 -0.189 -0.157 0.385 76 Y C 0.373 176.208 175.900 -0.107 0.000 1.371 76 Y CA -0.894 57.120 58.100 -0.142 0.000 1.712 76 Y CB 1.606 39.993 38.460 -0.122 0.000 1.715 76 Y HN 0.128 8.471 8.280 0.106 0.000 0.607 77 R N 0.649 120.779 120.500 -0.617 0.000 2.563 77 R HA 0.219 4.185 4.340 -0.624 0.000 0.262 77 R C -0.855 175.300 176.300 -0.241 0.000 1.128 77 R CA 0.803 56.648 56.100 -0.424 0.000 0.969 77 R CB 1.341 31.566 30.300 -0.124 0.000 1.251 77 R HN 0.397 8.383 8.270 -0.474 0.000 0.442 78 N N 1.734 120.332 118.700 -0.170 0.000 2.936 78 N HA -0.342 4.368 4.740 -0.049 0.000 0.236 78 N C -1.282 174.160 175.510 -0.114 0.000 0.930 78 N CA 1.569 54.564 53.050 -0.093 0.000 0.966 78 N CB -0.318 38.133 38.487 -0.060 0.000 1.090 78 N HN 0.628 8.911 8.380 -0.161 0.000 0.592 79 I N -3.234 117.215 120.570 -0.201 0.000 3.570 79 I HA -0.038 4.026 4.170 -0.177 0.000 0.270 79 I C -0.987 175.034 176.117 -0.159 0.000 1.162 79 I CA 0.199 61.354 61.300 -0.242 0.000 1.413 79 I CB 2.215 39.966 38.000 -0.415 0.000 1.437 79 I HN -0.387 7.583 8.210 -0.268 0.079 0.457 80 E N 1.029 121.105 120.200 -0.206 0.000 2.280 80 E HA 0.324 4.774 4.350 -0.049 -0.130 0.264 80 E C -0.737 175.830 176.600 -0.056 0.000 1.064 80 E CA -0.892 55.437 56.400 -0.118 0.000 0.900 80 E CB 1.730 31.329 29.700 -0.168 0.000 1.123 80 E HN -0.261 7.913 8.360 -0.309 0.000 0.418 81 K N -0.032 120.374 120.400 0.009 0.000 2.316 81 K HA 0.391 4.739 4.320 0.047 0.000 0.251 81 K C -1.795 174.834 176.600 0.048 0.000 0.934 81 K CA -1.407 54.906 56.287 0.044 0.000 0.802 81 K CB 3.864 36.402 32.500 0.063 0.000 1.171 81 K HN 0.850 8.992 8.250 0.021 0.120 0.426 82 I N 3.675 124.279 120.570 0.057 0.000 2.389 82 I HA 0.864 5.270 4.170 0.035 -0.215 0.288 82 I C -0.398 175.742 176.117 0.038 0.000 0.999 82 I CA -1.061 60.265 61.300 0.044 0.000 1.129 82 I CB 1.807 39.834 38.000 0.044 0.000 1.288 82 I HN 0.329 8.578 8.210 0.065 0.000 0.444 83 S N 7.235 122.958 115.700 0.039 0.000 2.638 83 S HA 0.413 4.895 4.470 0.020 0.000 0.302 83 S C -1.479 173.136 174.600 0.024 0.000 1.096 83 S CA -1.240 56.976 58.200 0.028 0.000 0.953 83 S CB 3.037 66.254 63.200 0.028 0.000 1.107 83 S HN 0.767 9.104 8.310 0.046 0.000 0.503 84 M N 0.235 119.839 119.600 0.008 0.000 2.654 84 M HA 0.233 4.720 4.480 0.013 0.000 0.310 84 M C -1.012 175.280 176.300 -0.014 0.000 1.211 84 M CA -0.739 54.562 55.300 0.002 0.000 0.947 84 M CB 3.218 35.814 32.600 -0.006 0.000 1.647 84 M HN 0.320 8.611 8.290 0.001 0.000 0.481 85 L N -1.135 120.077 121.223 -0.018 0.000 2.334 85 L HA 0.382 4.821 4.340 -0.048 -0.128 0.275 85 L C -0.015 176.820 176.870 -0.058 0.000 1.036 85 L CA -0.594 54.223 54.840 -0.038 0.000 0.807 85 L CB 0.987 43.030 42.059 -0.025 0.000 1.231 85 L HN 0.589 8.812 8.230 -0.011 0.000 0.438 86 E N 3.010 123.159 120.200 -0.085 0.000 2.175 86 E HA -0.022 4.287 4.350 -0.069 0.000 0.195 86 E C -0.324 176.211 176.600 -0.108 0.000 0.934 86 E CA 0.833 57.180 56.400 -0.088 0.000 0.870 86 E CB 1.829 31.467 29.700 -0.104 0.000 0.838 86 E HN 0.940 9.121 8.360 -0.102 0.118 0.474 87 K N -3.952 116.370 120.400 -0.130 0.000 2.532 87 K HA 0.256 4.551 4.320 -0.251 -0.125 0.265 87 K C -2.226 174.238 176.600 -0.227 0.000 0.948 87 K CA -2.148 53.990 56.287 -0.247 0.000 0.842 87 K CB 3.768 36.074 32.500 -0.324 0.000 1.392 87 K HN -0.602 7.577 8.250 -0.118 0.000 0.436 88 I N 0.694 121.045 120.570 -0.366 0.000 2.465 88 I HA 0.525 4.890 4.170 0.060 -0.159 0.291 88 I C -0.858 175.065 176.117 -0.323 0.000 1.014 88 I CA -1.163 60.049 61.300 -0.146 0.000 1.093 88 I CB 3.008 40.967 38.000 -0.068 0.000 1.267 88 I HN 0.240 8.167 8.210 -0.471 0.001 0.431 89 Y N 5.561 125.960 120.300 0.164 0.000 2.338 89 Y HA 0.171 4.815 4.550 0.158 0.000 0.333 89 Y C -1.665 174.451 175.900 0.359 0.000 0.968 89 Y CA -0.911 57.328 58.100 0.231 0.000 1.123 89 Y CB 2.318 40.923 38.460 0.241 0.000 1.165 89 Y HN 1.044 9.473 8.280 0.422 0.104 0.452 90 I N 2.332 123.138 120.570 0.393 0.000 2.498 90 I HA 0.201 4.497 4.170 0.210 0.000 0.301 90 I C -0.537 175.685 176.117 0.175 0.000 0.984 90 I CA -1.889 59.556 61.300 0.242 0.000 1.204 90 I CB 1.684 39.785 38.000 0.167 0.000 1.362 90 I HN 0.416 8.817 8.210 0.318 0.000 0.471 91 H N 6.935 125.832 119.070 -0.288 0.000 2.964 91 H HA 0.048 3.874 4.556 -1.217 0.000 0.328 91 H C 0.344 175.575 175.328 -0.161 0.000 1.030 91 H CA 0.411 56.032 56.048 -0.711 0.000 1.445 91 H CB 1.416 30.683 29.762 -0.826 0.000 1.449 91 H HN -0.331 7.876 8.280 -0.121 0.000 0.581 92 P HA -0.169 4.358 4.420 0.178 0.000 0.219 92 P C -0.070 177.370 177.300 0.233 0.000 1.146 92 P CA 1.604 64.804 63.100 0.166 0.000 0.808 92 P CB 0.369 32.134 31.700 0.108 0.000 0.779 93 R N -3.761 116.965 120.500 0.377 0.000 2.552 93 R HA 0.197 4.581 4.340 0.072 0.000 0.314 93 R C -0.245 176.064 176.300 0.015 0.000 1.041 93 R CA -1.386 54.779 56.100 0.107 0.000 1.076 93 R CB -0.080 30.241 30.300 0.036 0.000 1.290 93 R HN -0.251 8.597 8.270 1.028 0.039 0.563 94 Y N 3.964 124.254 120.300 -0.016 0.000 2.721 94 Y HA -0.135 4.625 4.550 -0.116 -0.279 0.329 94 Y C -0.775 175.121 175.900 -0.007 0.000 1.211 94 Y CA -0.671 57.418 58.100 -0.019 0.000 1.512 94 Y CB 0.131 38.647 38.460 0.093 0.000 1.249 94 Y HN -0.548 7.835 8.280 0.300 0.076 0.549 95 N N 8.106 126.674 118.700 -0.220 0.000 2.817 95 N HA 0.175 4.574 4.740 -0.568 0.000 0.234 95 N C -0.981 174.208 175.510 -0.535 0.000 1.066 95 N CA -1.859 50.927 53.050 -0.440 0.000 0.926 95 N CB -0.302 38.023 38.487 -0.269 0.000 1.176 95 N HN 0.630 8.910 8.380 0.012 0.107 0.506 96 W N 3.000 123.861 121.300 -0.732 0.000 1.992 96 W HA 0.164 4.583 4.660 -0.402 0.000 0.449 96 W C -0.491 175.856 176.519 -0.286 0.000 0.617 96 W CA -2.370 54.655 57.345 -0.534 0.000 2.341 96 W CB -2.533 26.599 29.460 -0.547 0.000 1.156 96 W HN -0.051 7.401 8.180 -1.212 0.000 0.538 97 E N 2.499 122.508 120.200 -0.319 0.000 2.160 97 E HA -0.515 3.702 4.350 -0.222 0.000 0.237 97 E C 0.351 176.793 176.600 -0.263 0.000 1.069 97 E CA 3.215 59.466 56.400 -0.249 0.000 0.950 97 E CB -0.129 29.434 29.700 -0.227 0.000 0.832 97 E HN -0.640 7.632 8.360 -0.370 -0.133 0.496 98 N N -4.059 114.485 118.700 -0.259 0.000 2.291 98 N HA -0.019 4.425 4.740 -0.494 0.000 0.244 98 N C -0.748 174.604 175.510 -0.264 0.000 1.216 98 N CA -0.717 52.130 53.050 -0.338 0.000 0.879 98 N CB 0.135 38.466 38.487 -0.260 0.000 1.167 98 N HN -0.194 8.051 8.380 -0.226 0.000 0.515 99 L N -3.264 117.879 121.223 -0.133 0.000 3.597 99 L HA -0.477 4.069 4.340 0.213 -0.078 0.440 99 L C -1.951 175.023 176.870 0.173 0.000 1.277 99 L CA 0.686 55.589 54.840 0.105 0.000 0.852 99 L CB -2.623 39.516 42.059 0.132 0.000 1.708 99 L HN -0.081 8.050 8.230 -0.164 0.000 0.885 100 D N -1.102 119.340 120.400 0.070 0.000 2.308 100 D HA -0.036 4.668 4.640 0.107 0.000 0.251 100 D C 0.060 176.401 176.300 0.069 0.000 1.127 100 D CA 0.345 54.380 54.000 0.059 0.000 0.876 100 D CB 1.337 42.121 40.800 -0.026 0.000 1.176 100 D HN -0.836 7.522 8.370 -0.021 0.000 0.446 101 R N -0.729 119.789 120.500 0.029 0.000 3.246 101 R HA -0.426 3.858 4.340 -0.092 0.000 0.260 101 R C -1.645 174.672 176.300 0.029 0.000 1.034 101 R CA 0.827 56.869 56.100 -0.097 0.000 0.691 101 R CB -1.572 28.463 30.300 -0.442 0.000 1.186 101 R HN 0.538 8.842 8.270 0.058 0.000 0.416 102 D N -1.014 119.452 120.400 0.110 0.000 2.517 102 D HA 0.052 4.653 4.640 -0.066 0.000 0.220 102 D C -1.957 174.348 176.300 0.009 0.000 1.158 102 D CA -0.288 53.758 54.000 0.076 0.000 0.992 102 D CB -0.388 40.558 40.800 0.243 0.000 1.058 102 D HN 0.016 8.465 8.370 0.131 0.000 0.516 103 I N 2.657 123.184 120.570 -0.071 0.000 2.827 103 I HA 0.664 5.040 4.170 0.075 -0.161 0.298 103 I C -3.236 172.906 176.117 0.041 0.000 1.235 103 I CA -1.520 59.800 61.300 0.034 0.000 1.021 103 I CB 4.250 42.317 38.000 0.113 0.000 1.259 103 I HN -0.480 7.608 8.210 -0.160 0.026 0.427 104 A N 5.129 128.068 122.820 0.198 0.000 2.574 104 A HA 0.889 5.620 4.320 0.471 -0.128 0.297 104 A C -2.880 174.943 177.584 0.398 0.000 1.062 104 A CA -1.147 51.080 52.037 0.318 0.000 0.686 104 A CB 3.863 22.952 19.000 0.149 0.000 1.285 104 A HN 0.355 8.630 8.150 0.208 0.000 0.403 105 L N 0.462 121.984 121.223 0.499 0.000 2.346 105 L HA 0.854 5.585 4.340 0.381 -0.162 0.274 105 L C -1.219 175.958 176.870 0.511 0.000 1.007 105 L CA -1.674 53.437 54.840 0.452 0.000 0.818 105 L CB 4.188 46.442 42.059 0.324 0.000 1.284 105 L HN 0.815 9.309 8.230 0.618 0.107 0.424 106 M N 0.577 120.448 119.600 0.452 0.000 2.326 106 M HA 0.660 5.474 4.480 0.271 -0.171 0.306 106 M C -1.783 174.609 176.300 0.155 0.000 1.054 106 M CA -1.038 54.430 55.300 0.281 0.000 0.922 106 M CB 3.688 36.385 32.600 0.162 0.000 1.632 106 M HN 0.585 9.148 8.290 0.456 0.000 0.436 107 K N 4.241 124.599 120.400 -0.070 0.000 2.211 107 K HA 0.609 4.508 4.320 -0.950 -0.149 0.275 107 K C -1.247 175.179 176.600 -0.291 0.000 1.024 107 K CA -1.516 54.436 56.287 -0.559 0.000 0.887 107 K CB 2.702 34.803 32.500 -0.664 0.000 1.084 107 K HN 1.043 9.195 8.250 0.032 0.117 0.463 108 L N 6.419 127.471 121.223 -0.284 0.000 2.436 108 L HA 0.050 4.471 4.340 -0.087 -0.133 0.265 108 L C 0.377 177.166 176.870 -0.135 0.000 1.168 108 L CA 0.562 55.319 54.840 -0.139 0.000 0.815 108 L CB 0.199 42.207 42.059 -0.085 0.000 1.109 108 L HN 0.615 8.607 8.230 -0.396 0.000 0.462 109 K N 1.665 122.017 120.400 -0.080 0.000 2.009 109 K HA -0.219 4.057 4.320 -0.074 0.000 0.210 109 K C 0.295 176.858 176.600 -0.063 0.000 1.049 109 K CA 2.241 58.489 56.287 -0.065 0.000 0.929 109 K CB 0.528 33.004 32.500 -0.040 0.000 0.714 109 K HN 0.801 8.910 8.250 -0.058 0.106 0.440 110 K N -3.949 116.420 120.400 -0.052 0.000 2.435 110 K HA 0.404 4.693 4.320 -0.051 0.000 0.251 110 K C -2.869 173.704 176.600 -0.046 0.000 0.954 110 K CA -3.126 53.134 56.287 -0.045 0.000 0.820 110 K CB 1.557 34.039 32.500 -0.030 0.000 1.292 110 K HN -0.219 8.005 8.250 -0.043 0.000 0.436 111 P HA 0.069 4.648 4.420 -0.039 -0.181 0.272 111 P C -0.994 176.280 177.300 -0.043 0.000 1.223 111 P CA -0.417 62.654 63.100 -0.050 0.000 0.784 111 P CB 0.485 32.145 31.700 -0.067 0.000 0.923 112 V N 2.193 122.093 119.914 -0.023 0.000 2.966 112 V HA 0.169 4.290 4.120 0.002 0.000 0.317 112 V C -1.668 174.362 176.094 -0.106 0.000 1.070 112 V CA -2.472 59.831 62.300 0.006 0.000 1.008 112 V CB 2.359 34.250 31.823 0.113 0.000 1.070 112 V HN 0.098 8.290 8.190 0.003 0.000 0.457 113 A N 4.525 127.311 122.820 -0.057 0.000 2.305 113 A HA 0.123 4.219 4.320 -0.373 0.000 0.322 113 A C -1.095 176.529 177.584 0.067 0.000 1.187 113 A CA -0.852 51.101 52.037 -0.141 0.000 0.825 113 A CB 1.493 20.460 19.000 -0.055 0.000 1.164 113 A HN 0.053 8.212 8.150 0.015 0.000 0.498 114 F N -0.352 119.632 119.950 0.057 0.000 2.399 114 F HA 0.067 4.722 4.527 0.086 -0.077 0.313 114 F C 0.171 176.015 175.800 0.074 0.000 1.202 114 F CA -2.061 55.988 58.000 0.082 0.000 1.192 114 F CB 0.717 39.782 39.000 0.108 0.000 1.256 114 F HN -0.031 8.062 8.300 -0.345 0.000 0.558 115 S N -1.122 114.745 115.700 0.278 0.000 2.724 115 S HA 0.183 4.709 4.470 0.093 0.000 0.278 115 S C -1.007 173.575 174.600 -0.031 0.000 1.190 115 S CA -0.997 57.269 58.200 0.109 0.000 0.860 115 S CB 1.779 65.062 63.200 0.139 0.000 1.206 115 S HN 0.396 8.782 8.310 0.302 0.105 0.507 116 D N -1.798 118.442 120.400 -0.265 0.000 2.264 116 D HA -0.057 4.388 4.640 -0.324 0.000 0.208 116 D C 0.476 176.415 176.300 -0.601 0.000 0.966 116 D CA 2.371 56.064 54.000 -0.512 0.000 0.864 116 D CB 0.069 40.382 40.800 -0.812 0.000 0.933 116 D HN 0.414 8.632 8.370 -0.253 0.000 0.499 117 Y N -4.847 115.439 120.300 -0.023 0.000 2.458 117 Y HA 0.064 4.557 4.550 -0.096 0.000 0.254 117 Y C -0.342 175.543 175.900 -0.025 0.000 1.120 117 Y CA -0.350 57.721 58.100 -0.048 0.000 1.282 117 Y CB 1.413 39.852 38.460 -0.034 0.000 1.109 117 Y HN -0.404 7.672 8.280 -0.265 0.044 0.526 118 I N -0.839 119.809 120.570 0.131 0.000 2.439 118 I HA 0.404 4.822 4.170 0.100 -0.187 0.283 118 I C -1.775 174.400 176.117 0.096 0.000 1.023 118 I CA -0.912 60.472 61.300 0.140 0.000 1.100 118 I CB 1.304 39.440 38.000 0.227 0.000 1.238 118 I HN -0.732 7.427 8.210 0.106 0.115 0.445 119 H N 8.342 127.324 119.070 -0.148 0.000 3.029 119 H HA 0.376 4.469 4.556 -0.771 0.000 0.358 119 H C -3.065 172.156 175.328 -0.178 0.000 1.129 119 H CA -1.568 54.276 56.048 -0.341 0.000 1.230 119 H CB 4.293 33.963 29.762 -0.154 0.000 1.827 119 H HN -0.002 8.188 8.280 0.026 0.106 0.530 120 P HA 0.075 4.643 4.420 -0.006 -0.151 0.274 120 P C -1.568 175.716 177.300 -0.026 0.000 1.237 120 P CA -0.602 62.375 63.100 -0.206 0.000 0.793 120 P CB 1.648 33.166 31.700 -0.303 0.000 0.977 121 V N -0.801 119.048 119.914 -0.109 0.000 2.966 121 V HA 0.145 3.910 4.120 -0.592 0.000 0.317 121 V C -0.463 175.447 176.094 -0.307 0.000 1.070 121 V CA -1.888 60.119 62.300 -0.488 0.000 1.008 121 V CB 3.093 34.315 31.823 -1.003 0.000 1.070 121 V HN -0.174 7.988 8.190 -0.048 0.000 0.457 122 C N 4.707 123.775 119.300 -0.386 0.000 2.398 122 C HA 0.210 4.567 4.460 -0.172 0.000 0.364 122 C C -0.864 174.083 174.990 -0.071 0.000 1.219 122 C CA 0.102 58.947 59.018 -0.287 0.000 2.312 122 C CB 0.404 27.746 27.740 -0.664 0.000 2.428 122 C HN -0.118 7.795 8.230 -0.529 0.000 0.564 123 L N 1.710 122.979 121.223 0.078 0.000 2.309 123 L HA 0.487 4.932 4.340 0.175 0.000 0.282 123 L C -1.020 176.038 176.870 0.313 0.000 1.036 123 L CA -2.396 52.551 54.840 0.180 0.000 0.806 123 L CB 1.193 43.332 42.059 0.134 0.000 1.220 123 L HN 0.278 8.540 8.230 0.055 0.000 0.429 124 P HA 0.079 4.530 4.420 0.052 0.000 0.276 124 P C -2.257 175.092 177.300 0.081 0.000 1.244 124 P CA -0.795 62.370 63.100 0.107 0.000 0.801 124 P CB 0.670 32.357 31.700 -0.022 0.000 1.006 125 D N -2.130 118.186 120.400 -0.139 0.000 2.299 125 D HA 0.147 4.858 4.640 0.118 0.000 0.243 125 D C 1.088 177.050 176.300 -0.562 0.000 0.982 125 D CA -2.225 51.705 54.000 -0.117 0.000 0.924 125 D CB 2.431 43.196 40.800 -0.059 0.000 1.238 125 D HN -0.374 7.819 8.370 -0.294 0.000 0.484 126 R N -0.231 119.905 120.500 -0.606 0.000 2.140 126 R HA -0.467 2.790 4.340 -1.806 0.000 0.250 126 R C 2.002 178.000 176.300 -0.504 0.000 1.150 126 R CA 4.098 59.723 56.100 -0.791 0.000 0.966 126 R CB -0.008 30.212 30.300 -0.132 0.000 0.869 126 R HN 0.494 8.682 8.270 -0.138 0.000 0.445 127 E N -4.307 115.702 120.200 -0.318 0.000 2.072 127 E HA -0.115 4.114 4.350 -0.203 0.000 0.190 127 E C 0.006 176.433 176.600 -0.288 0.000 0.982 127 E CA 1.855 58.111 56.400 -0.239 0.000 0.803 127 E CB -0.154 29.450 29.700 -0.161 0.000 0.755 127 E HN -0.426 7.865 8.360 -0.260 -0.087 0.453 128 T N 1.578 115.911 114.554 -0.369 0.000 2.829 128 T HA -0.234 3.907 4.350 -0.349 0.000 0.293 128 T C 0.182 174.652 174.700 -0.384 0.000 0.970 128 T CA 3.028 64.869 62.100 -0.432 0.000 1.168 128 T CB -0.509 67.916 68.868 -0.738 0.000 0.911 128 T HN -0.544 7.738 8.240 -0.377 -0.268 0.535 129 L N 0.949 122.130 121.223 -0.069 0.000 2.462 129 L HA -0.396 4.131 4.340 0.312 0.000 0.463 129 L C -0.326 176.508 176.870 -0.060 0.000 0.716 129 L CA 1.710 56.579 54.840 0.049 0.000 2.997 129 L CB -1.696 40.346 42.059 -0.029 0.000 0.811 129 L HN 0.698 8.841 8.230 -0.144 0.000 0.710 130 L N -0.303 120.801 121.223 -0.198 0.000 2.391 130 L HA -0.036 4.121 4.340 -0.304 0.000 0.249 130 L C -1.211 175.452 176.870 -0.345 0.000 1.308 130 L CA -0.011 54.648 54.840 -0.301 0.000 1.209 130 L CB -2.000 39.850 42.059 -0.347 0.000 1.401 130 L HN -0.003 8.110 8.230 -0.195 0.000 0.416 131 Q N 0.511 120.020 119.800 -0.484 0.000 2.394 131 Q HA 0.244 4.345 4.340 -0.398 0.000 0.273 131 Q C -1.167 174.546 176.000 -0.478 0.000 1.089 131 Q CA -1.984 53.464 55.803 -0.591 0.000 0.812 131 Q CB 4.298 32.446 28.738 -0.984 0.000 1.353 131 Q HN -0.189 7.743 8.270 -0.471 0.056 0.438 132 A N 1.786 124.420 122.820 -0.310 0.000 2.546 132 A HA -0.323 4.043 4.320 -0.163 -0.144 0.243 132 A C 0.395 177.909 177.584 -0.118 0.000 1.063 132 A CA 1.588 53.514 52.037 -0.184 0.000 0.757 132 A CB -0.350 18.567 19.000 -0.138 0.000 0.991 132 A HN 0.599 8.580 8.150 -0.282 0.000 0.503 133 G N 3.155 111.942 108.800 -0.023 0.000 2.279 133 G HA2 -0.262 3.730 3.960 0.054 0.000 0.223 133 G HA3 -0.262 3.766 3.960 0.113 0.000 0.223 133 G C -0.419 174.619 174.900 0.231 0.000 1.015 133 G CA -0.262 44.892 45.100 0.090 0.000 0.621 133 G HN 0.353 8.615 8.290 -0.046 0.000 0.506 134 Y N 2.330 122.597 120.300 -0.055 0.000 2.359 134 Y HA -0.068 4.456 4.550 -0.044 0.000 0.330 134 Y C -0.505 175.377 175.900 -0.030 0.000 1.143 134 Y CA -1.189 56.881 58.100 -0.050 0.000 1.318 134 Y CB 0.481 38.899 38.460 -0.070 0.000 1.234 134 Y HN -0.340 7.957 8.280 0.167 0.084 0.522 135 K N 1.901 122.354 120.400 0.089 0.000 2.110 135 K HA 0.507 5.069 4.320 0.068 -0.202 0.263 135 K C -0.250 176.351 176.600 0.001 0.000 0.975 135 K CA -0.798 55.516 56.287 0.045 0.000 0.895 135 K CB 2.315 34.824 32.500 0.015 0.000 1.060 135 K HN 0.154 8.414 8.250 0.016 0.000 0.448 136 G N -0.274 108.486 108.800 -0.066 0.000 2.714 136 G HA2 0.669 4.507 3.960 -0.357 0.000 0.292 136 G HA3 0.669 3.898 3.960 -1.219 0.000 0.292 136 G C -2.801 171.818 174.900 -0.468 0.000 1.308 136 G CA -1.422 43.364 45.100 -0.524 0.000 0.964 136 G HN 0.513 8.710 8.290 0.022 0.107 0.484 137 R N -0.507 119.660 120.500 -0.555 0.000 2.621 137 R HA 0.913 5.345 4.340 -0.135 -0.173 0.292 137 R C -1.973 174.190 176.300 -0.229 0.000 0.969 137 R CA -1.312 54.649 56.100 -0.232 0.000 0.887 137 R CB 4.018 34.293 30.300 -0.042 0.000 1.180 137 R HN 0.267 8.092 8.270 -0.742 0.000 0.450 138 V N 6.494 126.377 119.914 -0.052 0.000 2.680 138 V HA 1.065 5.475 4.120 0.078 -0.244 0.309 138 V C -1.149 174.959 176.094 0.024 0.000 1.052 138 V CA -2.167 60.173 62.300 0.068 0.000 0.908 138 V CB 3.643 35.602 31.823 0.226 0.000 1.001 138 V HN 0.402 8.580 8.190 -0.019 0.000 0.431 139 T N 0.554 115.113 114.554 0.008 0.000 2.906 139 T HA 0.856 5.304 4.350 -0.109 -0.164 0.295 139 T C -1.078 173.543 174.700 -0.131 0.000 1.075 139 T CA -2.508 59.530 62.100 -0.104 0.000 1.005 139 T CB 3.466 72.229 68.868 -0.173 0.000 1.136 139 T HN -0.235 8.039 8.240 0.057 0.000 0.498 140 G N 0.068 108.707 108.800 -0.269 0.000 2.338 140 G HA2 0.226 3.983 3.960 -0.339 0.000 0.295 140 G HA3 0.226 4.335 3.960 -0.035 -0.170 0.295 140 G C -2.022 172.719 174.900 -0.265 0.000 1.461 140 G CA 0.624 45.584 45.100 -0.234 0.000 0.817 140 G HN -0.471 7.622 8.290 -0.327 0.000 0.556 141 W N 0.536 121.859 121.300 0.039 0.000 3.127 141 W HA 0.430 5.093 4.660 0.004 0.000 0.344 141 W C -0.234 176.307 176.519 0.037 0.000 1.151 141 W CA -0.594 56.766 57.345 0.024 0.000 1.765 141 W CB 0.906 30.382 29.460 0.026 0.000 1.085 141 W HN 0.565 8.932 8.180 0.311 0.000 0.596 142 G N -0.616 108.317 108.800 0.220 0.000 2.744 142 G HA2 -0.236 3.823 3.960 0.166 0.000 0.257 142 G HA3 -0.236 3.992 3.960 0.138 -0.186 0.257 142 G C -0.383 174.588 174.900 0.119 0.000 1.244 142 G CA -0.362 44.832 45.100 0.157 0.000 0.916 142 G HN -0.570 7.969 8.290 0.194 -0.133 0.564 143 N N -1.669 117.090 118.700 0.098 0.000 2.374 143 N HA -0.278 4.648 4.740 0.076 -0.141 0.241 143 N C -0.007 175.544 175.510 0.067 0.000 1.262 143 N CA 0.971 54.067 53.050 0.077 0.000 0.880 143 N CB 0.190 38.717 38.487 0.066 0.000 1.105 143 N HN 0.317 8.648 8.380 0.099 0.109 0.438 144 L N -2.428 118.829 121.223 0.057 0.000 2.477 144 L HA 0.158 4.772 4.340 0.049 -0.245 0.220 144 L C 0.668 177.564 176.870 0.043 0.000 1.106 144 L CA 0.543 55.411 54.840 0.048 0.000 0.851 144 L CB 0.952 43.036 42.059 0.042 0.000 0.994 144 L HN 0.766 8.925 8.230 0.056 0.104 0.462 145 K N -4.364 116.062 120.400 0.043 0.000 2.536 145 K HA 0.155 4.497 4.320 0.037 0.000 0.269 145 K C -1.015 175.608 176.600 0.039 0.000 0.965 145 K CA -0.745 55.565 56.287 0.037 0.000 0.860 145 K CB 2.584 35.102 32.500 0.031 0.000 1.423 145 K HN -0.717 7.560 8.250 0.045 0.000 0.438 146 E N 0.860 121.082 120.200 0.036 0.000 2.110 146 E HA -0.256 4.119 4.350 0.042 0.000 0.193 146 E C -0.004 176.616 176.600 0.034 0.000 0.988 146 E CA 1.980 58.403 56.400 0.037 0.000 0.804 146 E CB 0.575 30.295 29.700 0.033 0.000 0.745 146 E HN 0.465 8.846 8.360 0.034 0.000 0.458 151 Q N -0.353 119.477 119.800 0.051 0.000 2.372 151 Q HA 0.335 4.722 4.340 0.078 0.000 0.273 151 Q C -2.134 173.907 176.000 0.069 0.000 1.078 151 Q CA -2.670 53.174 55.803 0.068 0.000 0.806 151 Q CB 2.938 31.715 28.738 0.066 0.000 1.332 151 Q HN -0.202 8.095 8.270 0.045 0.000 0.435 152 P HA 0.336 4.788 4.420 0.054 0.000 0.283 152 P C -0.292 177.061 177.300 0.088 0.000 1.278 152 P CA -1.238 61.908 63.100 0.077 0.000 0.834 152 P CB 1.838 33.582 31.700 0.075 0.000 1.150 153 S N -1.700 114.036 115.700 0.059 0.000 2.483 153 S HA -0.006 4.493 4.470 0.048 0.000 0.221 153 S C -0.067 174.563 174.600 0.050 0.000 1.030 153 S CA 1.636 59.864 58.200 0.047 0.000 0.925 153 S CB 0.446 63.662 63.200 0.025 0.000 0.795 153 S HN 0.461 8.795 8.310 0.041 0.000 0.511 154 V N -0.181 119.746 119.914 0.022 0.000 3.103 154 V HA 0.342 4.571 4.120 -0.110 -0.175 0.318 154 V C -0.813 175.236 176.094 -0.076 0.000 1.114 154 V CA -1.604 60.627 62.300 -0.116 0.000 1.020 154 V CB 3.719 35.403 31.823 -0.232 0.000 1.085 154 V HN -0.816 7.355 8.190 0.022 0.032 0.446 155 L N 2.298 123.351 121.223 -0.283 0.000 2.453 155 L HA -0.047 3.776 4.340 -0.861 0.000 0.272 155 L C -1.198 175.489 176.870 -0.306 0.000 1.182 155 L CA 0.727 55.246 54.840 -0.535 0.000 0.858 155 L CB 0.908 42.613 42.059 -0.590 0.000 1.120 155 L HN -0.032 7.907 8.230 -0.484 0.000 0.474 156 Q N 3.842 123.475 119.800 -0.279 0.000 2.248 156 Q HA 0.868 5.330 4.340 -0.102 -0.183 0.263 156 Q C -0.625 175.296 176.000 -0.131 0.000 1.007 156 Q CA -2.101 53.620 55.803 -0.137 0.000 0.877 156 Q CB 3.453 32.149 28.738 -0.069 0.000 1.315 156 Q HN -0.068 7.975 8.270 -0.378 0.000 0.454 157 V N -0.883 118.989 119.914 -0.070 0.000 2.888 157 V HA 0.672 4.935 4.120 -0.062 -0.180 0.309 157 V C -1.863 174.231 176.094 -0.000 0.000 1.114 157 V CA -1.346 60.924 62.300 -0.051 0.000 0.940 157 V CB 3.611 35.397 31.823 -0.062 0.000 1.021 157 V HN 0.938 8.996 8.190 -0.047 0.103 0.426 158 V N 3.031 122.960 119.914 0.024 0.000 2.932 158 V HA 0.289 4.450 4.120 0.068 0.000 0.307 158 V C -2.767 173.370 176.094 0.071 0.000 1.147 158 V CA -1.804 60.537 62.300 0.069 0.000 0.951 158 V CB 4.616 36.499 31.823 0.101 0.000 1.031 158 V HN -0.009 8.190 8.190 0.014 0.000 0.426 159 N N 6.446 125.205 118.700 0.099 0.000 2.408 159 N HA 0.648 5.562 4.740 0.019 -0.163 0.280 159 N C -0.842 174.731 175.510 0.104 0.000 1.002 159 N CA -0.940 52.155 53.050 0.075 0.000 0.907 159 N CB 1.650 40.189 38.487 0.086 0.000 1.161 159 N HN 0.201 8.657 8.380 0.127 0.000 0.488 160 L N 1.916 123.164 121.223 0.041 0.000 2.370 160 L HA 0.559 4.753 4.340 -0.243 0.000 0.266 160 L C -2.881 173.942 176.870 -0.079 0.000 1.002 160 L CA -2.937 51.865 54.840 -0.064 0.000 0.818 160 L CB 3.123 45.222 42.059 0.068 0.000 1.325 160 L HN 0.886 9.012 8.230 0.013 0.112 0.418 161 P HA 0.255 4.839 4.420 -0.019 -0.175 0.278 161 P C -0.865 176.398 177.300 -0.062 0.000 1.238 161 P CA -1.059 61.963 63.100 -0.130 0.000 0.794 161 P CB 0.667 32.245 31.700 -0.203 0.000 0.955 162 I N 1.476 122.036 120.570 -0.016 0.000 2.575 162 I HA -0.096 4.030 4.170 -0.073 0.000 0.285 162 I C -0.048 175.994 176.117 -0.125 0.000 1.085 162 I CA 0.673 61.927 61.300 -0.077 0.000 1.403 162 I CB 1.060 38.986 38.000 -0.124 0.000 1.409 162 I HN 0.089 8.314 8.210 0.025 0.000 0.557 163 V N 5.812 125.619 119.914 -0.177 0.000 2.769 163 V HA 0.217 4.223 4.120 -0.189 0.000 0.312 163 V C -0.482 175.491 176.094 -0.201 0.000 1.058 163 V CA -1.458 60.699 62.300 -0.238 0.000 0.952 163 V CB 2.750 34.292 31.823 -0.469 0.000 1.019 163 V HN -0.222 7.865 8.190 -0.172 0.000 0.445 164 E N 3.425 123.521 120.200 -0.174 0.000 2.413 164 E HA -0.089 4.194 4.350 -0.112 0.000 0.263 164 E C 0.894 177.426 176.600 -0.113 0.000 1.015 164 E CA 0.442 56.768 56.400 -0.122 0.000 0.916 164 E CB 0.423 30.069 29.700 -0.091 0.000 0.947 164 E HN 0.210 8.465 8.360 -0.175 0.000 0.440 165 R N 3.831 124.293 120.500 -0.064 0.000 2.091 165 R HA -0.290 4.038 4.340 -0.019 0.000 0.238 165 R C -0.129 176.170 176.300 -0.001 0.000 1.136 165 R CA 5.381 61.470 56.100 -0.019 0.000 0.959 165 R CB -2.372 27.936 30.300 0.013 0.000 0.856 165 R HN 0.555 8.790 8.270 -0.058 0.000 0.437 166 P HA -0.109 4.329 4.420 0.030 0.000 0.216 166 P C 1.356 178.664 177.300 0.013 0.000 1.150 166 P CA 3.028 66.135 63.100 0.012 0.000 0.837 166 P CB -0.737 30.966 31.700 0.004 0.000 0.786 167 V N -1.244 118.651 119.914 -0.031 0.000 2.358 167 V HA -0.421 3.710 4.120 0.019 0.000 0.246 167 V C 1.980 178.052 176.094 -0.036 0.000 1.047 167 V CA 4.260 66.533 62.300 -0.045 0.000 1.035 167 V CB -0.509 31.229 31.823 -0.140 0.000 0.658 167 V HN -0.690 7.454 8.190 -0.055 0.013 0.452 168 c N -0.771 117.777 118.600 -0.087 0.000 2.432 168 c HA -0.318 4.236 4.570 -0.027 0.000 0.277 168 c C 2.817 177.063 174.090 0.260 0.000 1.249 168 c CA 3.365 59.714 56.329 0.034 0.000 1.725 168 c CB -2.021 40.476 42.510 -0.022 0.000 2.028 168 c HN -0.458 7.621 8.230 -0.118 0.081 0.477 169 K N -0.560 119.948 120.400 0.179 0.000 2.097 169 K HA -0.240 4.208 4.320 0.212 0.000 0.205 169 K C 2.457 179.146 176.600 0.148 0.000 1.050 169 K CA 3.164 59.554 56.287 0.170 0.000 0.938 169 K CB -0.328 32.239 32.500 0.111 0.000 0.718 169 K HN 0.148 8.465 8.250 0.112 0.000 0.442 170 D N -3.111 117.367 120.400 0.130 0.000 2.349 170 D HA 0.041 4.741 4.640 0.099 0.000 0.224 170 D C 0.454 176.848 176.300 0.157 0.000 1.029 170 D CA 1.708 55.779 54.000 0.118 0.000 0.879 170 D CB -0.512 40.343 40.800 0.090 0.000 0.906 170 D HN -0.153 8.185 8.370 0.111 0.099 0.528 171 S N -3.207 112.629 115.700 0.227 0.000 2.524 171 S HA 0.005 4.601 4.470 0.209 0.000 0.215 171 S C -0.594 174.142 174.600 0.228 0.000 0.986 171 S CA 0.831 59.190 58.200 0.265 0.000 0.911 171 S CB 1.797 65.274 63.200 0.461 0.000 0.805 171 S HN -0.439 7.846 8.310 0.253 0.176 0.501 172 T N 0.051 114.729 114.554 0.207 0.000 2.841 172 T HA 0.207 4.637 4.350 0.134 0.000 0.296 172 T C -1.176 173.576 174.700 0.086 0.000 1.166 172 T CA -0.816 61.377 62.100 0.155 0.000 1.007 172 T CB 2.375 71.371 68.868 0.214 0.000 1.253 172 T HN -0.870 7.438 8.240 0.205 0.055 0.511 173 R N 1.368 121.891 120.500 0.038 0.000 2.290 173 R HA 0.163 4.509 4.340 0.010 0.000 0.197 173 R C 0.437 176.711 176.300 -0.043 0.000 0.913 173 R CA 0.315 56.414 56.100 -0.002 0.000 1.040 173 R CB 0.800 31.087 30.300 -0.022 0.000 0.992 173 R HN 0.322 8.613 8.270 0.035 0.000 0.500 174 I N 0.440 120.966 120.570 -0.072 0.000 2.638 174 I HA -0.152 3.912 4.170 -0.176 0.000 0.286 174 I C -0.463 175.606 176.117 -0.080 0.000 1.088 174 I CA -0.267 60.935 61.300 -0.164 0.000 1.397 174 I CB 0.975 38.735 38.000 -0.399 0.000 1.414 174 I HN -0.375 7.768 8.210 -0.037 0.044 0.566 175 R N 4.825 125.267 120.500 -0.095 0.000 2.210 175 R HA -0.053 4.282 4.340 -0.009 0.000 0.338 175 R C -1.171 175.128 176.300 -0.002 0.000 1.062 175 R CA -0.254 55.823 56.100 -0.038 0.000 0.902 175 R CB -0.600 29.666 30.300 -0.056 0.000 1.050 175 R HN 0.135 8.318 8.270 -0.144 0.000 0.461 176 I N 6.351 126.957 120.570 0.060 0.000 2.519 176 I HA -0.013 4.257 4.170 0.166 0.000 0.287 176 I C -0.015 176.164 176.117 0.103 0.000 1.047 176 I CA -2.150 59.230 61.300 0.134 0.000 1.381 176 I CB 0.142 38.266 38.000 0.207 0.000 1.417 176 I HN 0.052 8.299 8.210 0.062 0.000 0.540 177 T N 0.025 114.651 114.554 0.119 0.000 2.927 177 T HA 0.266 4.648 4.350 0.054 0.000 0.286 177 T C 0.274 175.032 174.700 0.096 0.000 1.040 177 T CA -2.635 59.511 62.100 0.077 0.000 1.010 177 T CB 3.461 72.357 68.868 0.048 0.000 1.177 177 T HN -0.353 7.986 8.240 0.164 0.000 0.546 178 D N -1.039 119.392 120.400 0.052 0.000 2.348 178 D HA -0.120 4.553 4.640 0.055 0.000 0.216 178 D C 0.120 176.438 176.300 0.029 0.000 0.970 178 D CA 2.127 56.145 54.000 0.030 0.000 0.889 178 D CB -0.577 40.212 40.800 -0.020 0.000 0.912 178 D HN 0.346 8.733 8.370 0.030 0.000 0.524 179 N N -2.111 116.628 118.700 0.065 0.000 2.313 179 N HA 0.045 4.832 4.740 0.078 0.000 0.207 179 N C -1.563 174.078 175.510 0.219 0.000 1.141 179 N CA -0.127 52.987 53.050 0.107 0.000 0.830 179 N CB 0.494 39.014 38.487 0.054 0.000 1.008 179 N HN -0.561 7.791 8.380 0.063 0.066 0.481 180 M N -2.392 117.361 119.600 0.254 0.000 2.575 180 M HA 0.798 5.593 4.480 0.191 -0.201 0.284 180 M C -2.313 174.177 176.300 0.316 0.000 1.253 180 M CA -0.435 55.017 55.300 0.253 0.000 0.861 180 M CB 5.379 38.153 32.600 0.290 0.000 1.733 180 M HN -0.719 7.608 8.290 0.225 0.099 0.462 181 F N -4.034 115.971 119.950 0.093 0.000 2.662 181 F HA 0.641 5.156 4.527 -0.020 0.000 0.312 181 F C -3.054 172.596 175.800 -0.251 0.000 1.113 181 F CA -1.564 56.402 58.000 -0.057 0.000 0.951 181 F CB 2.465 41.389 39.000 -0.126 0.000 1.344 181 F HN -0.039 8.151 8.300 -0.183 0.000 0.462 182 c N -2.393 116.060 118.600 -0.244 0.000 2.848 182 c HA 1.103 5.395 4.570 -0.718 -0.153 0.317 182 c C -1.928 172.010 174.090 -0.253 0.000 1.260 182 c CA -3.901 52.050 56.329 -0.631 0.000 1.656 182 c CB 4.054 45.829 42.510 -1.225 0.000 2.174 182 c HN 0.475 8.656 8.230 -0.081 0.000 0.479 183 A N -0.010 122.723 122.820 -0.145 0.000 2.520 183 A HA 0.690 5.034 4.320 -0.095 -0.082 0.298 183 A C -2.324 175.328 177.584 0.113 0.000 1.051 183 A CA -0.773 51.247 52.037 -0.028 0.000 0.690 183 A CB 3.120 22.095 19.000 -0.042 0.000 1.281 183 A HN 0.540 8.597 8.150 -0.156 0.000 0.402 184 Y N 2.564 122.984 120.300 0.200 0.000 2.326 184 Y HA -0.040 4.731 4.550 0.161 -0.124 0.333 184 Y C 0.497 176.519 175.900 0.203 0.000 1.240 184 Y CA -0.569 57.631 58.100 0.166 0.000 1.365 184 Y CB 1.618 40.137 38.460 0.098 0.000 1.289 184 Y HN 0.400 8.857 8.280 0.295 0.000 0.548 185 K N -0.590 120.031 120.400 0.369 0.000 2.418 185 K HA -0.055 4.470 4.320 0.342 0.000 0.195 185 K C 0.167 176.870 176.600 0.171 0.000 1.035 185 K CA -0.364 56.090 56.287 0.280 0.000 1.003 185 K CB -0.062 32.570 32.500 0.219 0.000 0.793 185 K HN 0.229 8.705 8.250 0.376 0.000 0.494 186 K N -1.830 118.410 120.400 -0.267 0.000 7.205 186 K HA -0.455 3.654 4.320 -0.352 0.000 0.574 186 K C -1.371 174.985 176.600 -0.406 0.000 2.585 186 K CA 0.984 56.948 56.287 -0.539 0.000 2.030 186 K CB -0.253 31.518 32.500 -1.215 0.000 2.103 186 K HN -0.015 8.115 8.250 -0.199 0.000 0.243 187 R N 1.632 121.998 120.500 -0.224 0.000 3.076 187 R HA 0.267 4.671 4.340 0.106 0.000 0.239 187 R C -1.339 175.057 176.300 0.161 0.000 1.392 187 R CA -1.614 54.502 56.100 0.026 0.000 1.044 187 R CB 2.128 32.438 30.300 0.018 0.000 1.389 187 R HN 0.076 8.210 8.270 -0.228 0.000 0.498 188 G N -1.280 107.624 108.800 0.174 0.000 2.326 188 G HA2 -0.139 4.183 3.960 0.129 0.000 0.478 188 G HA3 -0.139 3.965 3.960 0.240 0.000 0.478 188 G C -2.545 172.460 174.900 0.174 0.000 1.551 188 G CA -0.265 44.944 45.100 0.183 0.000 0.946 188 G HN 0.265 8.970 8.290 0.134 -0.335 0.671 189 D N -1.024 119.461 120.400 0.142 0.000 2.807 189 D HA 0.226 4.968 4.640 0.171 0.000 0.279 189 D C -2.484 173.890 176.300 0.124 0.000 1.247 189 D CA -0.283 53.799 54.000 0.136 0.000 0.749 189 D CB 3.164 44.022 40.800 0.097 0.000 1.264 189 D HN -0.213 8.232 8.370 0.125 0.000 0.421 190 A N -1.325 121.569 122.820 0.124 0.000 2.239 190 A HA 0.417 4.884 4.320 0.111 -0.080 0.303 190 A C -1.909 175.723 177.584 0.080 0.000 1.114 190 A CA -1.288 50.815 52.037 0.110 0.000 0.871 190 A CB 2.560 21.628 19.000 0.113 0.000 1.201 190 A HN 0.279 8.502 8.150 0.122 0.000 0.506 191 c N -3.568 115.081 118.600 0.082 0.000 3.253 191 c HA 0.164 4.776 4.570 0.070 0.000 0.362 191 c C -1.552 172.592 174.090 0.090 0.000 1.487 191 c CA -0.648 55.727 56.329 0.077 0.000 1.179 191 c CB 3.017 45.569 42.510 0.071 0.000 1.660 191 c HN -0.001 8.487 8.230 0.091 -0.204 0.438 192 E N 1.736 121.987 120.200 0.086 0.000 2.608 192 E HA -0.352 4.062 4.350 0.107 0.000 0.259 192 E C 0.733 177.397 176.600 0.107 0.000 0.951 192 E CA 2.352 58.809 56.400 0.095 0.000 0.945 192 E CB 0.493 30.240 29.700 0.078 0.000 0.916 192 E HN 0.416 8.822 8.360 0.076 0.000 0.477 193 G N 6.493 115.368 108.800 0.124 0.000 2.254 193 G HA2 -0.386 3.655 3.960 0.135 0.000 0.225 193 G HA3 -0.386 3.660 3.960 0.142 0.000 0.225 193 G C 0.719 175.720 174.900 0.167 0.000 1.003 193 G CA 0.973 46.158 45.100 0.142 0.000 0.622 193 G HN 0.893 9.261 8.290 0.130 0.000 0.507 194 D N 1.227 121.717 120.400 0.150 0.000 2.354 194 D HA 0.107 4.845 4.640 0.163 0.000 0.209 194 D C 0.165 176.557 176.300 0.154 0.000 1.015 194 D CA 0.783 54.872 54.000 0.149 0.000 0.867 194 D CB 0.365 41.240 40.800 0.125 0.000 0.933 194 D HN 0.167 8.528 8.370 0.135 0.090 0.520 195 S N -0.811 114.987 115.700 0.164 0.000 2.554 195 S HA -0.533 4.166 4.470 0.190 -0.115 0.290 195 S C 1.198 175.865 174.600 0.112 0.000 1.309 195 S CA 2.802 61.109 58.200 0.179 0.000 1.047 195 S CB 0.269 63.636 63.200 0.277 0.000 0.828 195 S HN -0.368 8.007 8.310 0.169 0.037 0.509 196 G N 3.288 112.144 108.800 0.092 0.000 2.267 196 G HA2 -0.468 3.601 3.960 0.060 0.000 0.257 196 G HA3 -0.468 3.661 3.960 0.053 -0.137 0.257 196 G C -0.227 174.761 174.900 0.147 0.000 0.998 196 G CA 0.337 45.485 45.100 0.081 0.000 0.620 196 G HN 0.710 9.077 8.290 0.128 0.000 0.529 197 G N 0.907 109.808 108.800 0.168 0.000 2.616 197 G HA2 0.280 4.420 3.960 0.187 0.000 0.268 197 G HA3 0.280 4.343 3.960 0.173 0.000 0.268 197 G C -2.612 172.424 174.900 0.227 0.000 1.213 197 G CA -1.974 43.239 45.100 0.188 0.000 0.926 197 G HN -0.324 7.957 8.290 0.162 0.106 0.523 198 P HA 0.326 5.048 4.420 0.258 -0.147 0.284 198 P C -1.971 175.487 177.300 0.263 0.000 1.253 198 P CA -0.995 62.250 63.100 0.241 0.000 0.800 198 P CB 1.289 33.113 31.700 0.208 0.000 0.961 199 F N 4.312 124.340 119.950 0.130 0.000 2.402 199 F HA 0.769 5.522 4.527 0.052 -0.195 0.355 199 F C -1.992 173.863 175.800 0.092 0.000 1.123 199 F CA -2.458 55.572 58.000 0.051 0.000 1.021 199 F CB 3.117 42.034 39.000 -0.138 0.000 1.160 199 F HN 0.273 8.798 8.300 0.374 0.000 0.451 200 V N 3.684 123.444 119.914 -0.255 0.000 2.960 200 V HA 0.977 5.282 4.120 0.060 -0.149 0.315 200 V C -2.175 173.898 176.094 -0.035 0.000 1.087 200 V CA -3.012 59.271 62.300 -0.029 0.000 0.982 200 V CB 3.932 35.827 31.823 0.120 0.000 1.039 200 V HN 0.856 8.790 8.190 -0.427 0.000 0.437 201 M N 0.357 120.026 119.600 0.115 0.000 2.593 201 M HA 0.405 4.881 4.480 -0.006 0.000 0.290 201 M C -1.982 174.248 176.300 -0.117 0.000 1.244 201 M CA -0.621 54.684 55.300 0.009 0.000 0.857 201 M CB 5.285 37.871 32.600 -0.023 0.000 1.738 201 M HN 0.807 9.195 8.290 0.164 0.000 0.461 202 K N 1.409 121.510 120.400 -0.499 0.000 2.293 202 K HA 0.354 4.286 4.320 -0.891 -0.146 0.267 202 K C -0.755 175.607 176.600 -0.396 0.000 1.010 202 K CA -1.161 54.605 56.287 -0.867 0.000 0.875 202 K CB 1.306 32.928 32.500 -1.462 0.000 1.106 202 K HN 0.322 8.325 8.250 -0.411 0.000 0.450 203 S N 7.046 122.624 115.700 -0.202 0.000 2.121 203 S HA -0.252 4.138 4.470 -0.133 0.000 0.153 203 S C 0.690 175.199 174.600 -0.151 0.000 1.392 203 S CA 1.373 59.508 58.200 -0.110 0.000 2.333 203 S CB 1.074 64.300 63.200 0.044 0.000 0.305 203 S HN 0.747 8.970 8.310 -0.144 0.000 0.351 204 N N 0.250 118.939 118.700 -0.018 0.000 2.378 204 N HA -0.361 4.373 4.740 -0.009 0.000 0.239 204 N C -0.336 175.163 175.510 -0.018 0.000 1.239 204 N CA 0.899 53.949 53.050 -0.001 0.000 0.776 204 N CB -1.423 37.087 38.487 0.038 0.000 1.161 204 N HN 0.549 8.919 8.380 -0.016 0.000 0.588 205 N N -5.746 112.919 118.700 -0.059 0.000 2.678 205 N HA -0.472 4.259 4.740 -0.165 -0.090 0.250 205 N C -1.523 173.907 175.510 -0.134 0.000 1.136 205 N CA 1.678 54.664 53.050 -0.107 0.000 0.757 205 N CB -0.630 37.821 38.487 -0.060 0.000 1.135 205 N HN -0.142 8.196 8.380 -0.069 0.000 0.565 206 R N -3.643 116.790 120.500 -0.112 0.000 2.643 206 R HA 0.151 4.451 4.340 -0.066 0.000 0.272 206 R C -0.997 175.140 176.300 -0.271 0.000 0.995 206 R CA -1.250 54.756 56.100 -0.158 0.000 1.032 206 R CB 2.339 32.488 30.300 -0.250 0.000 1.126 206 R HN -0.495 7.697 8.270 -0.041 0.053 0.505 207 W N -0.542 120.608 121.300 -0.250 0.000 2.390 207 W HA 0.489 5.283 4.660 -0.088 -0.187 0.312 207 W C -0.286 175.914 176.519 -0.532 0.000 1.123 207 W CA -0.742 56.439 57.345 -0.273 0.000 1.202 207 W CB 1.358 30.646 29.460 -0.286 0.000 1.251 207 W HN 0.270 8.474 8.180 0.040 0.000 0.511 208 Y N 0.973 121.248 120.300 -0.043 0.000 2.429 208 Y HA 0.417 5.073 4.550 -0.127 -0.182 0.342 208 Y C -1.176 174.682 175.900 -0.070 0.000 1.004 208 Y CA -1.660 56.387 58.100 -0.088 0.000 1.075 208 Y CB 3.973 42.393 38.460 -0.066 0.000 1.214 208 Y HN 1.063 9.471 8.280 0.213 0.000 0.455 209 Q N 2.810 122.649 119.800 0.065 0.000 2.377 209 Q HA 0.365 4.890 4.340 0.079 -0.138 0.249 209 Q C -0.569 175.546 176.000 0.192 0.000 1.005 209 Q CA -0.912 54.939 55.803 0.081 0.000 0.912 209 Q CB 1.169 29.917 28.738 0.016 0.000 1.223 209 Q HN 0.450 8.749 8.270 0.048 0.000 0.459 210 M N 5.661 125.416 119.600 0.259 0.000 2.394 210 M HA 0.084 4.661 4.480 0.161 0.000 0.266 210 M C -0.429 176.097 176.300 0.377 0.000 1.098 210 M CA -0.123 55.325 55.300 0.245 0.000 1.149 210 M CB 0.736 33.446 32.600 0.183 0.000 1.369 210 M HN 0.153 8.616 8.290 0.287 0.000 0.450 211 G N -4.293 104.807 108.800 0.500 0.000 2.725 211 G HA2 0.619 4.994 3.960 0.340 0.000 0.288 211 G HA3 0.619 4.727 3.960 0.248 0.000 0.288 211 G C -3.116 171.982 174.900 0.329 0.000 1.399 211 G CA -0.872 44.454 45.100 0.377 0.000 0.859 211 G HN -0.434 8.190 8.290 0.557 0.000 0.479 212 I N -1.260 119.472 120.570 0.271 0.000 2.498 212 I HA 0.568 5.097 4.170 0.285 -0.189 0.290 212 I C -0.495 175.781 176.117 0.266 0.000 1.032 212 I CA -1.423 60.035 61.300 0.263 0.000 1.073 212 I CB 4.137 42.255 38.000 0.195 0.000 1.251 212 I HN -0.410 7.993 8.210 0.193 -0.077 0.426 213 V N 6.955 127.029 119.914 0.266 0.000 2.458 213 V HA -0.214 3.730 4.120 -0.293 0.000 0.287 213 V C -0.981 175.142 176.094 0.048 0.000 1.009 213 V CA 2.062 64.385 62.300 0.039 0.000 1.091 213 V CB -1.106 30.790 31.823 0.121 0.000 0.960 213 V HN 0.718 8.969 8.190 0.286 0.111 0.476 214 S N 7.389 123.035 115.700 -0.090 0.000 2.877 214 S HA 0.433 5.219 4.470 0.380 -0.089 0.230 214 S C -1.111 173.587 174.600 0.163 0.000 0.999 214 S CA 1.188 59.477 58.200 0.149 0.000 0.866 214 S CB 2.114 65.387 63.200 0.122 0.000 0.819 214 S HN 0.028 8.087 8.310 -0.418 0.000 0.607 215 W N -1.924 119.323 121.300 -0.089 0.000 3.005 215 W HA 0.381 4.977 4.660 -0.106 0.000 0.343 215 W C -2.677 173.843 176.519 0.002 0.000 1.243 215 W CA -0.494 56.802 57.345 -0.082 0.000 1.186 215 W CB 1.866 31.252 29.460 -0.123 0.000 1.453 215 W HN -0.465 7.480 8.180 -0.392 0.000 0.575 216 G N -1.243 107.776 108.800 0.366 0.000 2.608 216 G HA2 0.172 4.288 3.960 0.260 0.000 0.291 216 G HA3 0.172 4.205 3.960 0.121 0.000 0.291 216 G C -1.531 173.555 174.900 0.310 0.000 1.425 216 G CA -0.511 44.746 45.100 0.262 0.000 0.787 216 G HN -0.260 8.280 8.290 0.417 0.000 0.484 220 c N 1.809 120.437 118.600 0.046 0.000 3.206 220 c HA 0.356 5.090 4.570 0.049 -0.134 0.206 220 c C -1.280 172.832 174.090 0.037 0.000 1.836 220 c CA -1.116 55.241 56.329 0.046 0.000 1.382 220 c CB -0.961 41.580 42.510 0.051 0.000 2.405 220 c HN 0.094 8.640 8.230 0.040 -0.291 0.516 221 R N -0.805 119.689 120.500 -0.010 0.000 2.824 221 R HA 0.200 4.536 4.340 -0.006 0.000 0.267 221 R C -2.438 173.828 176.300 -0.057 0.000 1.035 221 R CA -0.419 55.670 56.100 -0.019 0.000 0.887 221 R CB 2.694 32.988 30.300 -0.011 0.000 1.262 221 R HN 0.114 8.379 8.270 -0.009 0.000 0.487 222 D N 1.713 122.087 120.400 -0.043 0.000 2.304 222 D HA 0.039 4.633 4.640 -0.077 0.000 0.250 222 D C 0.963 177.208 176.300 -0.092 0.000 1.107 222 D CA 1.106 55.069 54.000 -0.061 0.000 0.885 222 D CB 0.169 40.957 40.800 -0.021 0.000 1.192 222 D HN 0.203 8.560 8.370 -0.022 0.000 0.436 223 G N 1.263 109.966 108.800 -0.161 0.000 2.199 223 G HA2 -0.441 3.469 3.960 -0.083 0.000 0.254 223 G HA3 -0.441 3.492 3.960 -0.046 0.000 0.254 223 G C -0.862 173.874 174.900 -0.273 0.000 0.982 223 G CA 0.208 45.225 45.100 -0.140 0.000 0.632 223 G HN 0.435 8.610 8.290 -0.192 0.000 0.529 224 K N -0.523 119.641 120.400 -0.394 0.000 2.221 224 K HA 0.399 4.647 4.320 -0.120 0.000 0.243 224 K C -1.532 174.654 176.600 -0.690 0.000 0.968 224 K CA -1.523 54.581 56.287 -0.305 0.000 0.846 224 K CB 2.456 34.915 32.500 -0.068 0.000 1.141 224 K HN -0.802 7.165 8.250 -0.338 0.080 0.434 225 Y N -2.982 117.350 120.300 0.054 0.000 2.634 225 Y HA 0.106 4.634 4.550 -0.036 0.000 0.340 225 Y C -0.551 175.258 175.900 -0.151 0.000 1.058 225 Y CA -0.974 57.079 58.100 -0.078 0.000 1.081 225 Y CB 3.624 41.952 38.460 -0.220 0.000 1.295 225 Y HN 0.015 8.378 8.280 0.139 0.000 0.487 226 G N -1.807 106.943 108.800 -0.082 0.000 2.389 226 G HA2 0.569 4.427 3.960 -0.171 0.000 0.328 226 G HA3 0.569 4.385 3.960 -0.240 0.000 0.328 226 G C -2.425 172.054 174.900 -0.702 0.000 1.133 226 G CA -1.581 43.355 45.100 -0.274 0.000 0.891 226 G HN 0.087 8.394 8.290 0.029 0.000 0.485 227 F N 0.752 120.170 119.950 -0.887 0.000 2.492 227 F HA 0.791 5.112 4.527 -0.618 -0.164 0.327 227 F C -0.497 174.643 175.800 -1.100 0.000 1.079 227 F CA -1.413 55.996 58.000 -0.984 0.000 0.967 227 F CB 3.953 41.933 39.000 -1.699 0.000 1.169 227 F HN 0.769 8.711 8.300 -0.598 0.000 0.472 228 Y N 0.112 120.017 120.300 -0.658 0.000 2.477 228 Y HA 0.587 5.073 4.550 -0.356 -0.149 0.347 228 Y C 0.172 175.787 175.900 -0.475 0.000 0.981 228 Y CA -1.616 56.089 58.100 -0.658 0.000 1.033 228 Y CB 3.577 41.302 38.460 -1.224 0.000 1.245 228 Y HN 0.915 8.868 8.280 -0.545 0.000 0.455 229 T N 4.727 119.264 114.554 -0.028 0.000 2.930 229 T HA -0.088 4.478 4.350 0.125 -0.140 0.306 229 T C -0.807 174.001 174.700 0.181 0.000 1.045 229 T CA 1.428 63.591 62.100 0.104 0.000 1.134 229 T CB 0.582 69.539 68.868 0.148 0.000 0.961 229 T HN 0.357 8.614 8.240 0.029 0.000 0.545 230 H N 7.540 126.737 119.070 0.212 0.000 2.969 230 H HA 0.080 4.978 4.556 0.570 0.000 0.269 230 H C 0.468 175.952 175.328 0.260 0.000 1.223 230 H CA -0.411 55.849 56.048 0.353 0.000 1.400 230 H CB -0.218 29.723 29.762 0.297 0.000 1.500 230 H HN -0.115 8.283 8.280 0.340 0.086 0.486 231 V N 7.787 127.920 119.914 0.364 0.000 2.287 231 V HA -0.496 3.795 4.120 0.285 0.000 0.248 231 V C 1.941 178.239 176.094 0.341 0.000 1.053 231 V CA 4.394 66.886 62.300 0.320 0.000 1.027 231 V CB -0.301 31.685 31.823 0.271 0.000 0.646 231 V HN -0.148 8.227 8.190 0.308 0.000 0.447 232 F N -0.431 119.700 119.950 0.302 0.000 2.126 232 F HA -0.293 4.336 4.527 0.170 0.000 0.299 232 F C 1.592 177.530 175.800 0.231 0.000 1.096 232 F CA 2.819 60.966 58.000 0.244 0.000 1.255 232 F CB -0.196 38.937 39.000 0.220 0.000 0.997 232 F HN -0.383 8.216 8.300 0.498 0.000 0.479 233 R N -3.036 117.525 120.500 0.103 0.000 2.193 233 R HA -0.263 3.869 4.340 -0.345 0.000 0.229 233 R C 1.042 177.284 176.300 -0.097 0.000 1.110 233 R CA 2.444 58.443 56.100 -0.168 0.000 0.988 233 R CB -0.112 30.077 30.300 -0.184 0.000 0.871 233 R HN -0.479 8.207 8.270 0.694 0.000 0.458 234 L N -4.085 117.158 121.223 0.033 0.000 2.857 234 L HA 0.341 4.758 4.340 0.128 0.000 0.249 234 L C -0.037 176.932 176.870 0.165 0.000 1.172 234 L CA -0.944 53.979 54.840 0.139 0.000 0.980 234 L CB -0.037 42.156 42.059 0.224 0.000 1.299 234 L HN -0.466 7.672 8.230 0.112 0.159 0.535 235 K N 1.716 122.117 120.400 0.003 0.000 2.103 235 K HA -0.414 3.952 4.320 0.076 0.000 0.207 235 K C 1.364 177.960 176.600 -0.007 0.000 1.048 235 K CA 3.904 60.193 56.287 0.003 0.000 0.930 235 K CB -0.264 32.193 32.500 -0.073 0.000 0.716 235 K HN -0.335 7.654 8.250 -0.133 0.181 0.444 236 K N -2.354 118.033 120.400 -0.022 0.000 2.097 236 K HA -0.297 3.997 4.320 -0.043 0.000 0.205 236 K C 2.277 178.890 176.600 0.023 0.000 1.050 236 K CA 2.842 59.122 56.287 -0.012 0.000 0.938 236 K CB -1.135 31.362 32.500 -0.005 0.000 0.718 236 K HN 0.166 8.358 8.250 -0.066 0.018 0.442 237 W N 0.968 122.237 121.300 -0.052 0.000 2.355 237 W HA -0.288 4.320 4.660 -0.086 0.000 0.309 237 W C 1.563 178.026 176.519 -0.093 0.000 1.206 237 W CA 3.512 60.815 57.345 -0.069 0.000 1.284 237 W CB -0.168 29.264 29.460 -0.047 0.000 1.145 237 W HN -0.891 7.433 8.180 0.252 0.008 0.502 238 I N -1.299 119.198 120.570 -0.122 0.000 2.091 238 I HA -0.803 2.905 4.170 -0.770 0.000 0.239 238 I C 2.024 177.855 176.117 -0.476 0.000 1.061 238 I CA 4.337 65.394 61.300 -0.404 0.000 1.317 238 I CB -0.402 37.535 38.000 -0.105 0.000 1.031 238 I HN -0.407 7.873 8.210 0.211 0.057 0.401 239 Q N -1.758 117.874 119.800 -0.280 0.000 2.112 239 Q HA -0.478 3.698 4.340 -0.273 0.000 0.206 239 Q C 2.217 178.030 176.000 -0.313 0.000 0.987 239 Q CA 3.560 59.210 55.803 -0.255 0.000 0.858 239 Q CB -0.369 28.285 28.738 -0.140 0.000 0.905 239 Q HN 0.261 8.320 8.270 -0.172 0.107 0.420 240 K N 0.056 120.270 120.400 -0.311 0.000 1.991 240 K HA -0.360 3.930 4.320 -0.243 -0.116 0.212 240 K C 2.620 178.970 176.600 -0.416 0.000 1.049 240 K CA 3.293 59.395 56.287 -0.309 0.000 0.932 240 K CB 0.059 32.416 32.500 -0.238 0.000 0.717 240 K HN -0.266 7.816 8.250 -0.272 0.005 0.441 241 V N -1.853 117.705 119.914 -0.594 0.000 2.358 241 V HA -0.340 3.627 4.120 -0.255 0.000 0.246 241 V C 1.707 177.503 176.094 -0.497 0.000 1.047 241 V CA 2.987 64.990 62.300 -0.496 0.000 1.035 241 V CB -0.220 31.111 31.823 -0.821 0.000 0.658 241 V HN -0.399 7.318 8.190 -0.789 0.000 0.452 242 I N 0.997 121.134 120.570 -0.722 0.000 2.099 242 I HA -0.613 2.944 4.170 -1.022 0.000 0.239 242 I C 1.183 177.124 176.117 -0.293 0.000 1.066 242 I CA 4.230 65.092 61.300 -0.730 0.000 1.324 242 I CB -0.275 37.243 38.000 -0.804 0.000 1.037 242 I HN 0.073 7.827 8.210 -0.759 0.000 0.401 243 D N -4.569 115.671 120.400 -0.267 0.000 2.336 243 D HA -0.029 4.691 4.640 -0.097 -0.138 0.229 243 D C 0.548 176.724 176.300 -0.207 0.000 1.061 243 D CA 0.966 54.865 54.000 -0.167 0.000 0.875 243 D CB -0.676 40.040 40.800 -0.141 0.000 0.904 243 D HN -0.145 8.038 8.370 -0.312 0.000 0.525 244 Q N -1.849 117.750 119.800 -0.335 0.000 2.390 244 Q HA -0.027 4.074 4.340 -0.398 0.000 0.216 244 Q C 0.678 176.294 176.000 -0.640 0.000 0.916 244 Q CA 1.479 56.944 55.803 -0.563 0.000 0.911 244 Q CB 1.577 29.795 28.738 -0.867 0.000 1.035 244 Q HN -0.652 7.203 8.270 -0.345 0.208 0.541 245 F N -2.730 117.206 119.950 -0.024 0.000 2.661 245 F HA 0.345 4.935 4.527 0.104 0.000 0.306 245 F C -1.121 174.819 175.800 0.232 0.000 1.094 245 F CA -0.429 57.637 58.000 0.109 0.000 1.254 245 F CB 1.272 40.353 39.000 0.135 0.000 1.040 245 F HN 0.132 8.201 8.300 -0.212 0.104 0.562 246 G N -2.678 106.315 108.800 0.322 0.000 2.347 246 G HA2 -0.115 3.978 3.960 0.221 0.000 0.224 246 G HA3 -0.115 4.115 3.960 0.450 0.000 0.224 246 G C -3.283 171.835 174.900 0.364 0.000 1.318 246 G CA 0.568 45.882 45.100 0.357 0.000 1.016 246 G HN -0.413 7.970 8.290 0.155 0.000 0.469 247 E N 0.000 120.515 120.200 0.524 0.000 2.725 247 E HA 0.000 4.545 4.350 0.325 0.000 0.291 247 E CA 0.000 56.663 56.400 0.438 0.000 0.976 247 E CB 0.000 29.814 29.700 0.190 0.000 0.812 247 E HN 0.000 8.660 8.360 0.500 0.000 0.440