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 1c5l_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 4.211 4.170 0.068 0.000 0.288 16 I C 0.000 176.148 176.117 0.051 0.000 1.063 16 I CA 0.000 61.332 61.300 0.053 0.000 1.566 16 I CB 0.000 38.017 38.000 0.029 0.000 1.214 17 V N 5.432 125.382 119.914 0.059 0.000 2.435 17 V HA 0.283 4.563 4.120 0.045 -0.133 0.290 17 V C 0.253 176.380 176.094 0.056 0.000 1.030 17 V CA -1.467 60.865 62.300 0.053 0.000 0.881 17 V CB 1.747 33.602 31.823 0.054 0.000 0.983 17 V HN 0.819 9.050 8.190 0.070 0.000 0.445 18 E N 1.885 122.111 120.200 0.044 0.000 2.476 18 E HA -0.410 3.957 4.350 0.029 0.000 0.251 18 E C -1.039 175.588 176.600 0.045 0.000 1.130 18 E CA 1.151 57.575 56.400 0.040 0.000 0.736 18 E CB -2.289 27.437 29.700 0.043 0.000 1.298 18 E HN 0.946 9.328 8.360 0.037 0.000 0.400 19 G N -3.748 105.074 108.800 0.038 0.000 2.887 19 G HA2 0.434 4.416 3.960 0.042 0.000 0.277 19 G HA3 0.434 4.455 3.960 0.027 -0.044 0.277 19 G C -1.632 173.277 174.900 0.015 0.000 1.346 19 G CA -0.991 44.127 45.100 0.032 0.000 1.058 19 G HN -0.499 7.811 8.290 0.033 0.000 0.535 20 S N -1.703 114.000 115.700 0.005 0.000 2.704 20 S HA 0.286 4.758 4.470 0.004 0.000 0.296 20 S C -1.504 173.087 174.600 -0.015 0.000 1.138 20 S CA -1.300 56.900 58.200 0.001 0.000 0.875 20 S CB 3.092 66.296 63.200 0.007 0.000 1.151 20 S HN 0.286 8.597 8.310 0.002 0.000 0.500 21 D N 1.239 121.635 120.400 -0.007 0.000 2.414 21 D HA -0.021 4.866 4.640 -0.047 -0.275 0.242 21 D C 0.281 176.580 176.300 -0.002 0.000 1.129 21 D CA 0.783 54.775 54.000 -0.014 0.000 0.885 21 D CB 0.238 41.049 40.800 0.019 0.000 1.198 21 D HN 0.140 8.512 8.370 0.003 0.000 0.437 22 A N 4.342 127.154 122.820 -0.013 0.000 2.296 22 A HA -0.006 4.299 4.320 -0.026 0.000 0.264 22 A C -0.494 177.155 177.584 0.109 0.000 1.097 22 A CA -0.598 51.444 52.037 0.009 0.000 0.811 22 A CB 1.624 20.596 19.000 -0.046 0.000 1.072 22 A HN 0.648 8.656 8.150 -0.069 0.101 0.495 23 E N -1.125 119.091 120.200 0.028 0.000 2.250 23 E HA 0.113 4.464 4.350 0.003 0.000 0.269 23 E C -0.638 175.922 176.600 -0.067 0.000 1.018 23 E CA -1.757 54.635 56.400 -0.013 0.000 0.873 23 E CB 1.213 30.887 29.700 -0.043 0.000 1.134 23 E HN 0.055 8.400 8.360 -0.024 0.000 0.403 24 I N 0.634 121.103 120.570 -0.168 0.000 2.618 24 I HA -0.166 3.810 4.170 -0.323 0.000 0.284 24 I C 1.363 177.428 176.117 -0.086 0.000 1.146 24 I CA 0.910 62.081 61.300 -0.215 0.000 1.425 24 I CB -0.369 37.508 38.000 -0.204 0.000 1.383 24 I HN 0.226 8.344 8.210 -0.153 0.000 0.562 25 G N 5.633 114.406 108.800 -0.046 0.000 2.153 25 G HA2 -0.368 3.548 3.960 -0.073 0.000 0.252 25 G HA3 -0.368 3.533 3.960 -0.098 0.000 0.252 25 G C -0.030 174.725 174.900 -0.242 0.000 0.994 25 G CA 0.797 45.835 45.100 -0.104 0.000 0.698 25 G HN 0.134 8.414 8.290 -0.018 0.000 0.521 26 M N -0.808 118.646 119.600 -0.244 0.000 2.200 26 M HA -0.203 4.097 4.480 -0.299 0.000 0.265 26 M C -0.563 175.378 176.300 -0.599 0.000 1.066 26 M CA 2.460 57.562 55.300 -0.330 0.000 1.127 26 M CB 0.796 33.264 32.600 -0.220 0.000 1.379 26 M HN -0.663 7.474 8.290 -0.170 0.051 0.420 27 S N -3.556 111.755 115.700 -0.648 0.000 2.128 27 S HA 0.468 3.927 4.470 -1.685 0.000 0.157 27 S C -1.437 172.535 174.600 -1.047 0.000 1.650 27 S CA -3.702 53.856 58.200 -1.070 0.000 1.269 27 S CB 0.439 63.293 63.200 -0.577 0.000 1.227 27 S HN -0.147 7.896 8.310 -0.445 0.000 0.405 28 P HA 0.076 4.431 4.420 -0.274 -0.100 0.234 28 P C -0.085 177.056 177.300 -0.266 0.000 1.167 28 P CA 1.335 64.147 63.100 -0.480 0.000 0.763 28 P CB 0.027 31.528 31.700 -0.331 0.000 0.835 29 W N -5.510 115.777 121.300 -0.021 0.000 3.211 29 W HA 0.282 5.001 4.660 0.006 -0.055 0.292 29 W C -0.866 175.675 176.519 0.037 0.000 1.268 29 W CA -3.295 54.050 57.345 -0.001 0.000 1.702 29 W CB -1.360 28.087 29.460 -0.023 0.000 1.092 29 W HN -0.637 6.530 8.180 -1.552 0.082 0.643 30 Q N 2.624 122.441 119.800 0.029 0.000 2.311 30 Q HA 0.023 4.488 4.340 0.208 0.000 0.272 30 Q C -1.143 174.987 176.000 0.217 0.000 1.012 30 Q CA 0.658 56.532 55.803 0.118 0.000 0.891 30 Q CB 0.260 28.955 28.738 -0.072 0.000 1.201 30 Q HN -0.316 7.622 8.270 -0.275 0.167 0.391 31 V N 5.087 125.163 119.914 0.270 0.000 2.864 31 V HA 0.386 4.782 4.120 0.261 -0.119 0.314 31 V C -1.490 174.818 176.094 0.358 0.000 1.073 31 V CA -1.755 60.712 62.300 0.277 0.000 0.956 31 V CB 3.707 35.660 31.823 0.217 0.000 1.023 31 V HN 0.247 8.591 8.190 0.256 0.000 0.435 32 M N 3.817 123.576 119.600 0.265 0.000 2.311 32 M HA 0.465 5.143 4.480 0.329 0.000 0.325 32 M C -2.102 174.291 176.300 0.155 0.000 1.061 32 M CA -1.199 54.221 55.300 0.199 0.000 0.957 32 M CB 3.496 36.013 32.600 -0.138 0.000 1.646 32 M HN -0.015 8.386 8.290 0.185 0.000 0.434 33 L N 5.479 126.806 121.223 0.172 0.000 2.272 33 L HA 0.508 5.075 4.340 0.148 -0.139 0.289 33 L C -1.775 175.211 176.870 0.194 0.000 1.032 33 L CA -0.999 53.932 54.840 0.152 0.000 0.810 33 L CB 1.012 43.135 42.059 0.107 0.000 1.205 33 L HN 0.484 8.827 8.230 0.189 0.000 0.422 34 F N 5.323 125.271 119.950 -0.004 0.000 2.520 34 F HA 0.746 5.406 4.527 -0.027 -0.148 0.322 34 F C -2.176 173.614 175.800 -0.017 0.000 1.103 34 F CA -1.926 56.060 58.000 -0.023 0.000 0.926 34 F CB 4.459 43.434 39.000 -0.042 0.000 1.154 34 F HN 0.643 9.094 8.300 0.251 0.000 0.453 35 R N 4.013 124.232 120.500 -0.467 0.000 2.562 35 R HA 0.470 4.846 4.340 -0.151 -0.126 0.217 35 R C 0.391 176.460 176.300 -0.385 0.000 1.234 35 R CA -1.794 54.116 56.100 -0.317 0.000 1.027 35 R CB 2.417 32.550 30.300 -0.277 0.000 1.525 35 R HN 0.995 8.721 8.270 -0.717 0.113 0.527 36 S N 0.215 115.851 115.700 -0.107 0.000 2.498 36 S HA 0.148 4.621 4.470 -0.096 -0.061 0.281 36 S C -1.013 173.531 174.600 -0.093 0.000 1.265 36 S CA -0.746 57.400 58.200 -0.090 0.000 1.071 36 S CB -0.056 63.111 63.200 -0.055 0.000 0.894 36 S HN -0.252 7.997 8.310 -0.100 0.000 0.491 37 P HA -0.031 4.338 4.420 -0.086 0.000 0.268 37 P C -1.771 175.411 177.300 -0.197 0.000 1.208 37 P CA -0.360 62.674 63.100 -0.110 0.000 0.777 37 P CB 0.622 32.270 31.700 -0.087 0.000 0.875 38 Q N 0.695 120.377 119.800 -0.197 0.000 2.324 38 Q HA 0.038 4.302 4.340 -0.603 -0.286 0.257 38 Q C -0.783 174.925 176.000 -0.487 0.000 1.080 38 Q CA 0.275 55.840 55.803 -0.398 0.000 0.907 38 Q CB 0.233 28.927 28.738 -0.074 0.000 1.274 38 Q HN 0.234 8.434 8.270 -0.116 0.000 0.434 39 E N 1.901 121.642 120.200 -0.765 0.000 2.430 39 E HA 0.233 4.436 4.350 -0.246 0.000 0.279 39 E C -2.640 173.729 176.600 -0.384 0.000 1.003 39 E CA -2.279 53.868 56.400 -0.421 0.000 0.801 39 E CB 2.875 32.456 29.700 -0.199 0.000 1.313 39 E HN -0.064 7.710 8.360 -0.977 0.000 0.459 40 L N 0.627 121.808 121.223 -0.069 0.000 2.367 40 L HA 0.065 4.495 4.340 0.150 0.000 0.275 40 L C -1.251 175.633 176.870 0.024 0.000 1.129 40 L CA 0.880 55.759 54.840 0.066 0.000 0.839 40 L CB 0.574 42.695 42.059 0.104 0.000 1.133 40 L HN 0.198 8.413 8.230 -0.026 0.000 0.453 41 L N 7.560 128.809 121.223 0.043 0.000 2.356 41 L HA -0.019 4.332 4.340 0.019 0.000 0.193 41 L C -0.466 176.450 176.870 0.076 0.000 1.087 41 L CA 1.153 56.014 54.840 0.035 0.000 0.817 41 L CB 2.298 44.364 42.059 0.013 0.000 1.035 41 L HN 0.503 8.780 8.230 0.079 0.000 0.482 42 c N -6.516 112.145 118.600 0.102 0.000 3.293 42 c HA 0.251 4.902 4.570 0.134 0.000 0.362 42 c C -1.668 172.533 174.090 0.185 0.000 1.539 42 c CA -0.942 55.460 56.329 0.122 0.000 1.201 42 c CB 3.884 46.429 42.510 0.058 0.000 1.770 42 c HN -0.798 7.498 8.230 0.110 0.000 0.440 43 G N -1.858 107.054 108.800 0.187 0.000 2.509 43 G HA2 0.827 5.105 3.960 0.320 0.000 0.328 43 G HA3 0.827 4.920 3.960 0.221 0.000 0.328 43 G C -3.002 172.011 174.900 0.188 0.000 1.194 43 G CA -1.471 43.771 45.100 0.237 0.000 0.967 43 G HN 0.679 9.058 8.290 0.149 0.000 0.488 44 A N -2.561 120.383 122.820 0.207 0.000 2.536 44 A HA 1.027 5.712 4.320 0.173 -0.261 0.293 44 A C -2.438 175.275 177.584 0.214 0.000 1.119 44 A CA -0.551 51.599 52.037 0.189 0.000 0.654 44 A CB 3.050 22.156 19.000 0.176 0.000 1.291 44 A HN -0.256 8.036 8.150 0.236 0.000 0.439 45 S N -2.513 113.314 115.700 0.212 0.000 2.569 45 S HA 0.929 5.771 4.470 0.274 -0.208 0.280 45 S C -0.942 173.790 174.600 0.220 0.000 1.111 45 S CA -1.848 56.493 58.200 0.235 0.000 0.887 45 S CB 3.870 67.193 63.200 0.205 0.000 1.095 45 S HN 0.499 8.928 8.310 0.199 0.000 0.476 46 L N 3.711 125.077 121.223 0.238 0.000 2.264 46 L HA 0.422 5.019 4.340 0.214 -0.128 0.289 46 L C -0.643 176.327 176.870 0.167 0.000 1.044 46 L CA -0.518 54.449 54.840 0.211 0.000 0.807 46 L CB 1.718 43.903 42.059 0.209 0.000 1.192 46 L HN 0.231 8.639 8.230 0.296 0.000 0.425 47 I N -0.934 119.738 120.570 0.170 0.000 4.139 47 I HA 0.503 4.704 4.170 0.052 0.000 0.335 47 I C -0.963 175.232 176.117 0.129 0.000 1.327 47 I CA -0.738 60.629 61.300 0.112 0.000 1.112 47 I CB 1.193 39.257 38.000 0.107 0.000 1.058 47 I HN 0.243 8.585 8.210 0.219 0.000 0.396 48 S N -0.709 115.117 115.700 0.210 0.000 2.694 48 S HA 0.126 4.739 4.470 0.237 0.000 0.273 48 S C -1.503 173.319 174.600 0.369 0.000 1.180 48 S CA -0.488 57.877 58.200 0.274 0.000 0.864 48 S CB 1.910 65.287 63.200 0.295 0.000 1.198 48 S HN -0.842 7.610 8.310 0.237 0.000 0.499 49 D N -3.809 116.814 120.400 0.372 0.000 2.347 49 D HA -0.070 4.814 4.640 0.407 0.000 0.215 49 D C 0.305 176.675 176.300 0.117 0.000 0.976 49 D CA 1.970 56.110 54.000 0.233 0.000 0.884 49 D CB -0.027 40.727 40.800 -0.076 0.000 0.915 49 D HN 0.298 8.866 8.370 0.330 0.000 0.526 50 R N -2.901 117.664 120.500 0.108 0.000 2.487 50 R HA 0.309 4.594 4.340 -0.092 0.000 0.272 50 R C -1.698 174.453 176.300 -0.249 0.000 0.928 50 R CA -0.071 55.966 56.100 -0.104 0.000 1.077 50 R CB 2.143 32.284 30.300 -0.265 0.000 1.265 50 R HN -0.645 7.708 8.270 0.216 0.047 0.537 51 W N -2.019 119.338 121.300 0.095 0.000 2.702 51 W HA 0.627 5.520 4.660 0.096 -0.175 0.331 51 W C -1.430 175.153 176.519 0.106 0.000 1.049 51 W CA -0.755 56.645 57.345 0.092 0.000 1.230 51 W CB 2.947 32.444 29.460 0.062 0.000 1.408 51 W HN -0.506 7.872 8.180 0.330 0.000 0.492 52 V N 1.888 122.014 119.914 0.354 0.000 2.680 52 V HA 0.860 5.319 4.120 0.250 -0.189 0.309 52 V C -1.993 174.270 176.094 0.282 0.000 1.052 52 V CA -1.460 61.000 62.300 0.266 0.000 0.908 52 V CB 3.391 35.333 31.823 0.198 0.000 1.001 52 V HN 0.690 9.106 8.190 0.376 0.000 0.431 53 L N 6.484 127.850 121.223 0.238 0.000 2.329 53 L HA 0.858 5.487 4.340 0.256 -0.136 0.279 53 L C -1.674 175.313 176.870 0.194 0.000 1.014 53 L CA -1.385 53.591 54.840 0.226 0.000 0.814 53 L CB 3.551 45.731 42.059 0.202 0.000 1.257 53 L HN 0.670 9.032 8.230 0.220 0.000 0.424 54 T N 4.795 119.455 114.554 0.178 0.000 2.626 54 T HA 0.481 5.090 4.350 0.133 -0.180 0.299 54 T C -2.239 172.509 174.700 0.081 0.000 1.181 54 T CA -2.455 59.719 62.100 0.123 0.000 1.053 54 T CB 2.494 71.421 68.868 0.099 0.000 1.566 54 T HN 0.459 8.819 8.240 0.200 0.000 0.486 55 A N -0.154 122.664 122.820 -0.004 0.000 2.301 55 A HA 0.422 4.884 4.320 -0.008 -0.147 0.312 55 A C 0.538 178.004 177.584 -0.196 0.000 1.182 55 A CA -1.849 50.139 52.037 -0.080 0.000 0.826 55 A CB 1.188 20.102 19.000 -0.142 0.000 1.134 55 A HN 0.308 8.445 8.150 -0.021 0.000 0.501 56 A N 5.323 127.990 122.820 -0.254 0.000 1.972 56 A HA -0.266 3.906 4.320 -0.248 0.000 0.219 56 A C 1.348 178.712 177.584 -0.366 0.000 1.169 56 A CA 3.102 54.881 52.037 -0.429 0.000 0.635 56 A CB -0.576 17.849 19.000 -0.959 0.000 0.810 56 A HN 0.721 8.752 8.150 -0.213 -0.009 0.446 57 H N -4.844 114.096 119.070 -0.217 0.000 2.545 57 H HA -0.087 4.773 4.556 0.150 -0.214 0.282 57 H C 1.551 176.901 175.328 0.037 0.000 1.020 57 H CA 2.049 58.125 56.048 0.047 0.000 1.243 57 H CB -1.458 28.404 29.762 0.166 0.000 1.377 57 H HN -0.009 8.466 8.280 -0.164 -0.293 0.581 58 c N -2.294 116.108 118.600 -0.329 0.000 2.468 58 c HA -0.049 4.452 4.570 -0.115 0.000 0.277 58 c C 0.102 174.155 174.090 -0.062 0.000 1.400 58 c CA 1.918 58.135 56.329 -0.187 0.000 1.770 58 c CB -1.358 41.034 42.510 -0.196 0.000 1.905 58 c HN -0.581 7.216 8.230 -0.440 0.169 0.519 59 L N -2.805 118.382 121.223 -0.060 0.000 2.331 59 L HA 0.299 4.625 4.340 -0.024 0.000 0.268 59 L C 0.073 176.933 176.870 -0.017 0.000 1.015 59 L CA -0.693 54.129 54.840 -0.030 0.000 0.807 59 L CB 1.686 43.728 42.059 -0.028 0.000 1.293 59 L HN -0.479 7.526 8.230 -0.098 0.166 0.451 60 T N 1.252 115.786 114.554 -0.034 0.000 2.944 60 T HA 0.337 4.661 4.350 -0.043 0.000 0.284 60 T C 1.033 175.711 174.700 -0.036 0.000 1.010 60 T CA -1.471 60.606 62.100 -0.038 0.000 1.025 60 T CB 1.643 70.488 68.868 -0.038 0.000 1.079 60 T HN 0.344 8.866 8.240 -0.033 -0.302 0.516 61 E N 4.237 124.410 120.200 -0.045 0.000 2.068 61 E HA -0.452 3.875 4.350 -0.038 0.000 0.207 61 E C 2.018 178.601 176.600 -0.028 0.000 1.032 61 E CA 3.689 60.064 56.400 -0.042 0.000 0.839 61 E CB -0.547 29.120 29.700 -0.055 0.000 0.758 61 E HN 0.646 8.973 8.360 -0.055 0.000 0.457 62 N N -2.807 115.875 118.700 -0.030 0.000 2.609 62 N HA -0.191 4.537 4.740 -0.020 0.000 0.190 62 N C -0.235 175.263 175.510 -0.021 0.000 1.157 62 N CA 1.860 54.896 53.050 -0.023 0.000 0.918 62 N CB -0.775 37.697 38.487 -0.025 0.000 0.978 62 N HN 0.203 8.562 8.380 -0.035 0.000 0.448 63 D N -2.092 118.294 120.400 -0.023 0.000 2.369 63 D HA 0.149 4.771 4.640 -0.029 0.000 0.211 63 D C -1.336 174.950 176.300 -0.022 0.000 1.077 63 D CA 0.707 54.691 54.000 -0.027 0.000 0.842 63 D CB 1.145 41.925 40.800 -0.034 0.000 0.947 63 D HN 0.026 8.182 8.370 -0.024 0.200 0.509 64 L N -2.616 118.604 121.223 -0.005 0.000 2.309 64 L HA 0.686 5.173 4.340 0.014 -0.139 0.261 64 L C -1.612 175.286 176.870 0.048 0.000 1.021 64 L CA -1.228 53.623 54.840 0.019 0.000 0.823 64 L CB 4.125 46.197 42.059 0.022 0.000 1.366 64 L HN -0.717 7.457 8.230 -0.006 0.052 0.423 65 L N -2.700 118.580 121.223 0.093 0.000 2.393 65 L HA 0.601 5.096 4.340 0.068 -0.113 0.260 65 L C -1.856 175.084 176.870 0.117 0.000 1.002 65 L CA -1.264 53.640 54.840 0.106 0.000 0.818 65 L CB 4.892 47.044 42.059 0.154 0.000 1.369 65 L HN 0.039 8.338 8.230 0.114 0.000 0.412 66 V N 1.627 121.591 119.914 0.084 0.000 2.495 66 V HA 0.541 4.892 4.120 0.106 -0.167 0.298 66 V C -1.587 174.542 176.094 0.058 0.000 1.031 66 V CA -1.278 61.074 62.300 0.086 0.000 0.871 66 V CB 2.968 34.839 31.823 0.081 0.000 0.988 66 V HN 0.370 8.599 8.190 0.065 0.000 0.432 67 R N 7.089 127.613 120.500 0.040 0.000 2.360 67 R HA 0.688 5.195 4.340 0.000 -0.167 0.318 67 R C -0.948 175.377 176.300 0.042 0.000 0.950 67 R CA -1.333 54.760 56.100 -0.011 0.000 0.837 67 R CB 1.740 31.956 30.300 -0.140 0.000 1.165 67 R HN 0.464 8.770 8.270 0.061 0.000 0.458 68 I N 1.704 122.310 120.570 0.060 0.000 2.493 68 I HA 0.265 4.516 4.170 0.135 0.000 0.298 68 I C 0.025 176.193 176.117 0.085 0.000 0.998 68 I CA -1.682 59.679 61.300 0.102 0.000 1.137 68 I CB 2.693 40.766 38.000 0.121 0.000 1.310 68 I HN 0.945 9.066 8.210 0.047 0.116 0.445 69 G N 3.949 112.816 108.800 0.111 0.000 2.132 69 G HA2 -0.452 3.769 3.960 0.126 0.000 0.228 69 G HA3 -0.452 3.559 3.960 0.085 0.000 0.228 69 G C -1.121 173.811 174.900 0.054 0.000 1.000 69 G CA 0.058 45.216 45.100 0.096 0.000 0.693 69 G HN 0.594 8.965 8.290 0.136 0.000 0.515 70 K N -1.884 118.591 120.400 0.125 0.000 2.090 70 K HA 0.185 4.633 4.320 0.026 -0.112 0.249 70 K C -1.729 175.072 176.600 0.334 0.000 0.995 70 K CA -0.213 56.163 56.287 0.149 0.000 0.914 70 K CB 1.303 33.828 32.500 0.042 0.000 1.057 70 K HN -0.432 7.927 8.250 0.181 0.000 0.462 71 H N 0.353 119.523 119.070 0.166 0.000 2.010 71 H HA 0.226 4.913 4.556 0.219 0.000 0.175 71 H C 0.259 175.761 175.328 0.290 0.000 0.966 71 H CA 0.933 57.093 56.048 0.186 0.000 1.080 71 H CB 3.269 33.044 29.762 0.022 0.000 1.072 71 H HN 0.191 8.997 8.280 0.176 -0.421 0.373 72 S N -0.310 115.454 115.700 0.106 0.000 2.568 72 S HA -0.085 4.535 4.470 -0.000 -0.150 0.282 72 S C 0.822 175.366 174.600 -0.093 0.000 1.338 72 S CA 1.031 59.238 58.200 0.011 0.000 1.045 72 S CB 1.049 64.245 63.200 -0.008 0.000 0.873 72 S HN -0.451 8.331 8.310 0.153 -0.380 0.516 73 R N 5.246 125.679 120.500 -0.111 0.000 2.080 73 R HA -0.107 3.657 4.340 -0.960 0.000 0.222 73 R C 0.898 177.028 176.300 -0.284 0.000 1.107 73 R CA 2.495 58.369 56.100 -0.377 0.000 0.980 73 R CB 0.252 30.500 30.300 -0.087 0.000 0.879 73 R HN 1.032 9.184 8.270 -0.006 0.115 0.439 74 T N -5.132 109.341 114.554 -0.134 0.000 3.022 74 T HA 0.103 4.400 4.350 -0.088 0.000 0.250 74 T C 0.505 175.160 174.700 -0.076 0.000 1.060 74 T CA -0.079 61.970 62.100 -0.085 0.000 1.013 74 T CB 0.733 69.586 68.868 -0.025 0.000 0.982 74 T HN -0.246 7.941 8.240 -0.087 0.000 0.508 75 R N 1.305 121.755 120.500 -0.084 0.000 2.536 75 R HA 0.257 4.587 4.340 -0.017 0.000 0.279 75 R C -1.083 175.178 176.300 -0.064 0.000 1.001 75 R CA -1.724 54.346 56.100 -0.052 0.000 1.027 75 R CB 0.788 31.063 30.300 -0.043 0.000 1.096 75 R HN -0.780 7.431 8.270 -0.099 0.000 0.502 76 Y N 4.008 124.233 120.300 -0.124 0.000 2.455 76 Y HA 0.324 4.920 4.550 -0.179 -0.154 0.398 76 Y C 0.416 176.254 175.900 -0.104 0.000 1.386 76 Y CA -0.628 57.391 58.100 -0.135 0.000 1.816 76 Y CB 1.418 39.811 38.460 -0.112 0.000 1.740 76 Y HN 0.148 8.489 8.280 0.101 0.000 0.612 77 R N 0.699 120.817 120.500 -0.636 0.000 2.563 77 R HA 0.243 4.212 4.340 -0.618 0.000 0.262 77 R C -0.856 175.300 176.300 -0.239 0.000 1.128 77 R CA 0.736 56.576 56.100 -0.432 0.000 0.969 77 R CB 1.445 31.657 30.300 -0.148 0.000 1.251 77 R HN 0.365 8.332 8.270 -0.507 0.000 0.442 78 N N 1.696 120.298 118.700 -0.163 0.000 2.863 78 N HA -0.341 4.375 4.740 -0.040 0.000 0.245 78 N C -1.293 174.158 175.510 -0.099 0.000 1.001 78 N CA 1.481 54.481 53.050 -0.083 0.000 0.901 78 N CB -0.274 38.182 38.487 -0.051 0.000 1.124 78 N HN 0.621 8.910 8.380 -0.151 0.000 0.582 79 I N -3.494 116.966 120.570 -0.183 0.000 3.650 79 I HA -0.020 4.065 4.170 -0.143 0.000 0.261 79 I C -0.538 175.492 176.117 -0.144 0.000 1.154 79 I CA 0.165 61.334 61.300 -0.219 0.000 1.418 79 I CB 2.175 39.936 38.000 -0.398 0.000 1.539 79 I HN -0.400 7.588 8.210 -0.253 0.071 0.449 80 E N 1.656 121.741 120.200 -0.191 0.000 2.345 80 E HA 0.240 4.697 4.350 -0.046 -0.135 0.259 80 E C -0.745 175.831 176.600 -0.040 0.000 1.117 80 E CA -0.624 55.713 56.400 -0.106 0.000 0.913 80 E CB 1.588 31.197 29.700 -0.151 0.000 1.057 80 E HN -0.444 7.744 8.360 -0.286 0.000 0.432 81 K N 0.121 120.531 120.400 0.016 0.000 2.378 81 K HA 0.385 4.738 4.320 0.054 0.000 0.252 81 K C -1.707 174.923 176.600 0.049 0.000 0.931 81 K CA -1.324 54.992 56.287 0.048 0.000 0.794 81 K CB 3.657 36.195 32.500 0.064 0.000 1.181 81 K HN 0.739 8.886 8.250 0.022 0.117 0.425 82 I N 3.926 124.530 120.570 0.056 0.000 2.433 82 I HA 0.909 5.303 4.170 0.031 -0.205 0.292 82 I C -0.252 175.886 176.117 0.034 0.000 1.001 82 I CA -1.035 60.288 61.300 0.040 0.000 1.119 82 I CB 2.281 40.304 38.000 0.038 0.000 1.289 82 I HN 0.362 8.611 8.210 0.064 0.000 0.438 83 S N 6.529 122.249 115.700 0.034 0.000 2.599 83 S HA 0.442 4.921 4.470 0.016 0.000 0.294 83 S C -1.763 172.849 174.600 0.020 0.000 1.094 83 S CA -1.021 57.193 58.200 0.023 0.000 0.931 83 S CB 3.077 66.291 63.200 0.024 0.000 1.093 83 S HN 0.722 9.056 8.310 0.039 0.000 0.488 84 M N 0.307 119.910 119.600 0.004 0.000 2.654 84 M HA 0.174 4.660 4.480 0.010 0.000 0.310 84 M C -1.044 175.247 176.300 -0.016 0.000 1.211 84 M CA -0.702 54.597 55.300 -0.001 0.000 0.947 84 M CB 2.182 34.777 32.600 -0.009 0.000 1.647 84 M HN 0.190 8.478 8.290 -0.003 0.000 0.481 85 L N -1.127 120.084 121.223 -0.020 0.000 2.360 85 L HA 0.386 4.820 4.340 -0.050 -0.124 0.271 85 L C 0.082 176.917 176.870 -0.058 0.000 1.057 85 L CA -0.581 54.235 54.840 -0.040 0.000 0.803 85 L CB 0.933 42.974 42.059 -0.029 0.000 1.207 85 L HN 0.602 8.824 8.230 -0.013 0.000 0.445 86 E N 2.354 122.503 120.200 -0.084 0.000 2.152 86 E HA 0.005 4.314 4.350 -0.069 0.000 0.195 86 E C -0.288 176.248 176.600 -0.107 0.000 0.934 86 E CA 0.794 57.142 56.400 -0.087 0.000 0.869 86 E CB 1.914 31.554 29.700 -0.101 0.000 0.842 86 E HN 0.931 9.112 8.360 -0.100 0.118 0.472 87 K N -3.057 117.266 120.400 -0.128 0.000 2.532 87 K HA 0.316 4.635 4.320 -0.248 -0.149 0.265 87 K C -2.099 174.364 176.600 -0.228 0.000 0.948 87 K CA -1.986 54.156 56.287 -0.242 0.000 0.842 87 K CB 3.600 35.897 32.500 -0.338 0.000 1.392 87 K HN -0.619 7.560 8.250 -0.118 0.000 0.436 88 I N 1.035 121.391 120.570 -0.357 0.000 2.509 88 I HA 0.503 4.852 4.170 0.041 -0.155 0.293 88 I C -0.769 175.135 176.117 -0.355 0.000 1.020 88 I CA -1.169 60.036 61.300 -0.158 0.000 1.088 88 I CB 2.901 40.855 38.000 -0.076 0.000 1.267 88 I HN 0.267 8.231 8.210 -0.439 -0.018 0.430 89 Y N 5.403 125.794 120.300 0.152 0.000 2.338 89 Y HA 0.172 4.807 4.550 0.141 0.000 0.333 89 Y C -1.633 174.464 175.900 0.328 0.000 0.968 89 Y CA -0.858 57.370 58.100 0.213 0.000 1.123 89 Y CB 2.295 40.891 38.460 0.227 0.000 1.165 89 Y HN 0.936 9.437 8.280 0.368 0.000 0.452 90 I N 2.420 123.209 120.570 0.364 0.000 2.498 90 I HA 0.206 4.492 4.170 0.194 0.000 0.301 90 I C -0.522 175.701 176.117 0.177 0.000 0.984 90 I CA -1.768 59.667 61.300 0.225 0.000 1.204 90 I CB 1.787 39.875 38.000 0.145 0.000 1.362 90 I HN 0.390 8.775 8.210 0.291 0.000 0.471 91 H N 6.953 125.877 119.070 -0.242 0.000 2.964 91 H HA 0.036 3.993 4.556 -0.998 0.000 0.328 91 H C 0.394 175.649 175.328 -0.121 0.000 1.030 91 H CA 0.626 56.314 56.048 -0.600 0.000 1.445 91 H CB 1.398 30.705 29.762 -0.759 0.000 1.449 91 H HN -0.331 7.887 8.280 -0.104 0.000 0.581 92 P HA -0.191 4.322 4.420 0.156 0.000 0.217 92 P C -0.056 177.381 177.300 0.229 0.000 1.148 92 P CA 1.741 64.922 63.100 0.134 0.000 0.828 92 P CB 0.395 32.134 31.700 0.065 0.000 0.783 93 R N -3.690 117.049 120.500 0.397 0.000 2.609 93 R HA 0.215 4.611 4.340 0.094 0.000 0.326 93 R C -0.390 175.939 176.300 0.049 0.000 1.090 93 R CA -1.419 54.770 56.100 0.148 0.000 1.072 93 R CB -0.285 30.064 30.300 0.083 0.000 1.330 93 R HN -0.295 8.543 8.270 0.993 0.028 0.572 94 Y N 3.929 124.235 120.300 0.011 0.000 2.632 94 Y HA -0.064 4.706 4.550 -0.106 -0.283 0.329 94 Y C -0.789 175.114 175.900 0.005 0.000 1.174 94 Y CA -0.875 57.220 58.100 -0.008 0.000 1.469 94 Y CB 0.224 38.740 38.460 0.093 0.000 1.242 94 Y HN -0.771 7.633 8.280 0.328 0.073 0.540 95 N N 7.767 126.323 118.700 -0.241 0.000 2.801 95 N HA 0.171 4.572 4.740 -0.565 0.000 0.235 95 N C -0.959 174.206 175.510 -0.576 0.000 1.069 95 N CA -1.863 50.913 53.050 -0.458 0.000 0.946 95 N CB -0.459 37.857 38.487 -0.285 0.000 1.212 95 N HN 0.647 8.909 8.380 -0.015 0.109 0.509 96 W N 2.966 123.811 121.300 -0.759 0.000 2.564 96 W HA 0.131 4.534 4.660 -0.429 0.000 0.447 96 W C -0.573 175.768 176.519 -0.297 0.000 0.701 96 W CA -2.425 54.591 57.345 -0.549 0.000 2.223 96 W CB -2.622 26.509 29.460 -0.547 0.000 0.990 96 W HN -0.038 7.427 8.180 -1.192 0.000 0.698 97 E N 2.269 122.256 120.200 -0.356 0.000 2.160 97 E HA -0.525 3.679 4.350 -0.243 0.000 0.237 97 E C 0.285 176.712 176.600 -0.288 0.000 1.069 97 E CA 3.345 59.580 56.400 -0.274 0.000 0.950 97 E CB -0.123 29.428 29.700 -0.248 0.000 0.832 97 E HN -0.226 8.172 8.360 -0.419 -0.289 0.496 98 N N -4.494 114.032 118.700 -0.292 0.000 2.299 98 N HA -0.043 4.381 4.740 -0.526 0.000 0.246 98 N C -0.870 174.439 175.510 -0.334 0.000 1.254 98 N CA -0.756 52.063 53.050 -0.385 0.000 0.879 98 N CB 0.316 38.615 38.487 -0.314 0.000 1.214 98 N HN -0.295 7.929 8.380 -0.260 0.000 0.510 99 L N -3.413 117.695 121.223 -0.192 0.000 3.634 99 L HA -0.481 4.024 4.340 0.146 -0.078 0.423 99 L C -1.902 175.047 176.870 0.131 0.000 1.253 99 L CA 0.801 55.669 54.840 0.046 0.000 0.885 99 L CB -2.454 39.645 42.059 0.067 0.000 1.789 99 L HN 0.045 8.146 8.230 -0.215 0.000 0.904 100 D N -1.471 118.949 120.400 0.032 0.000 2.350 100 D HA -0.054 4.638 4.640 0.087 0.000 0.249 100 D C -0.009 176.327 176.300 0.060 0.000 1.119 100 D CA 0.625 54.648 54.000 0.039 0.000 0.886 100 D CB 1.150 41.927 40.800 -0.038 0.000 1.195 100 D HN -0.771 7.636 8.370 -0.062 -0.074 0.437 101 R N -1.027 119.482 120.500 0.016 0.000 3.261 101 R HA -0.412 3.860 4.340 -0.114 0.000 0.257 101 R C -1.447 174.862 176.300 0.014 0.000 1.014 101 R CA 0.961 56.993 56.100 -0.112 0.000 0.681 101 R CB -1.288 28.747 30.300 -0.443 0.000 1.155 101 R HN 0.701 8.995 8.270 0.039 0.000 0.424 102 D N -1.142 119.320 120.400 0.102 0.000 2.517 102 D HA 0.065 4.659 4.640 -0.076 0.000 0.220 102 D C -1.916 174.383 176.300 -0.002 0.000 1.158 102 D CA -0.299 53.740 54.000 0.065 0.000 0.992 102 D CB -0.238 40.708 40.800 0.242 0.000 1.058 102 D HN -0.022 8.422 8.370 0.124 0.000 0.516 103 I N 3.145 123.664 120.570 -0.084 0.000 2.827 103 I HA 0.709 5.082 4.170 0.060 -0.167 0.298 103 I C -3.227 172.899 176.117 0.014 0.000 1.235 103 I CA -1.674 59.633 61.300 0.012 0.000 1.021 103 I CB 4.241 42.286 38.000 0.075 0.000 1.259 103 I HN -0.501 7.582 8.210 -0.167 0.027 0.427 104 A N 5.095 128.023 122.820 0.181 0.000 2.574 104 A HA 0.883 5.603 4.320 0.451 -0.129 0.297 104 A C -2.852 174.972 177.584 0.399 0.000 1.062 104 A CA -1.149 51.073 52.037 0.308 0.000 0.686 104 A CB 3.864 22.948 19.000 0.140 0.000 1.285 104 A HN 0.282 8.549 8.150 0.195 0.000 0.403 105 L N 0.465 121.990 121.223 0.504 0.000 2.346 105 L HA 0.848 5.581 4.340 0.387 -0.161 0.274 105 L C -1.327 175.850 176.870 0.513 0.000 1.007 105 L CA -1.673 53.441 54.840 0.458 0.000 0.818 105 L CB 4.173 46.427 42.059 0.324 0.000 1.284 105 L HN 0.650 9.249 8.230 0.615 0.000 0.424 106 M N 0.542 120.411 119.600 0.448 0.000 2.395 106 M HA 0.704 5.523 4.480 0.263 -0.181 0.307 106 M C -1.808 174.571 176.300 0.133 0.000 1.091 106 M CA -1.047 54.417 55.300 0.273 0.000 0.919 106 M CB 3.970 36.664 32.600 0.157 0.000 1.662 106 M HN 0.681 9.243 8.290 0.453 0.000 0.440 107 K N 3.770 124.117 120.400 -0.088 0.000 2.213 107 K HA 0.667 4.614 4.320 -0.882 -0.156 0.270 107 K C -1.285 175.147 176.600 -0.279 0.000 1.002 107 K CA -1.718 54.247 56.287 -0.536 0.000 0.868 107 K CB 3.065 35.176 32.500 -0.649 0.000 1.093 107 K HN 1.043 9.183 8.250 0.011 0.116 0.454 108 L N 5.962 127.019 121.223 -0.276 0.000 2.418 108 L HA 0.119 4.536 4.340 -0.090 -0.131 0.265 108 L C 0.255 177.045 176.870 -0.134 0.000 1.143 108 L CA 0.368 55.125 54.840 -0.139 0.000 0.809 108 L CB 0.234 42.240 42.059 -0.088 0.000 1.124 108 L HN 0.287 8.286 8.230 -0.386 0.000 0.456 109 K N 0.145 120.496 120.400 -0.081 0.000 1.985 109 K HA -0.269 4.007 4.320 -0.073 0.000 0.210 109 K C 0.310 176.872 176.600 -0.064 0.000 1.047 109 K CA 1.988 58.236 56.287 -0.066 0.000 0.932 109 K CB 0.742 33.217 32.500 -0.041 0.000 0.716 109 K HN 0.676 8.792 8.250 -0.060 0.098 0.439 110 K N -3.511 116.857 120.400 -0.052 0.000 2.328 110 K HA 0.344 4.633 4.320 -0.051 0.000 0.246 110 K C -2.967 173.603 176.600 -0.050 0.000 0.955 110 K CA -2.654 53.605 56.287 -0.047 0.000 0.817 110 K CB 0.935 33.416 32.500 -0.032 0.000 1.208 110 K HN -0.073 8.151 8.250 -0.044 0.000 0.432 111 P HA 0.031 4.587 4.420 -0.051 -0.166 0.269 111 P C -1.114 176.153 177.300 -0.054 0.000 1.215 111 P CA -0.341 62.723 63.100 -0.060 0.000 0.780 111 P CB 0.506 32.160 31.700 -0.077 0.000 0.898 112 V N 1.448 121.337 119.914 -0.041 0.000 2.713 112 V HA 0.145 4.259 4.120 -0.011 0.000 0.307 112 V C -1.140 174.878 176.094 -0.126 0.000 1.052 112 V CA -2.308 59.985 62.300 -0.012 0.000 0.967 112 V CB 2.960 34.838 31.823 0.091 0.000 1.019 112 V HN 0.160 8.336 8.190 -0.023 0.000 0.459 113 A N 4.980 127.754 122.820 -0.076 0.000 2.301 113 A HA 0.194 4.288 4.320 -0.377 0.000 0.312 113 A C -0.842 176.768 177.584 0.044 0.000 1.182 113 A CA -0.697 51.249 52.037 -0.153 0.000 0.826 113 A CB 1.199 20.163 19.000 -0.061 0.000 1.134 113 A HN -0.199 7.947 8.150 -0.006 0.000 0.501 114 F N -0.148 119.832 119.950 0.049 0.000 2.403 114 F HA 0.058 4.709 4.527 0.076 -0.078 0.320 114 F C 0.219 176.059 175.800 0.067 0.000 1.176 114 F CA -1.983 56.060 58.000 0.071 0.000 1.206 114 F CB 0.687 39.739 39.000 0.087 0.000 1.235 114 F HN -0.018 8.074 8.300 -0.347 0.000 0.565 115 S N -0.994 114.870 115.700 0.274 0.000 2.800 115 S HA 0.200 4.720 4.470 0.083 0.000 0.293 115 S C -0.896 173.683 174.600 -0.036 0.000 1.209 115 S CA -0.944 57.315 58.200 0.100 0.000 0.884 115 S CB 1.825 65.098 63.200 0.122 0.000 1.244 115 S HN 0.335 8.825 8.310 0.299 0.000 0.540 116 D N -1.870 118.359 120.400 -0.286 0.000 2.312 116 D HA -0.025 4.431 4.640 -0.307 0.000 0.211 116 D C 0.390 176.362 176.300 -0.547 0.000 0.964 116 D CA 2.221 55.922 54.000 -0.498 0.000 0.877 116 D CB 0.049 40.376 40.800 -0.788 0.000 0.924 116 D HN 0.436 8.620 8.370 -0.309 0.000 0.515 117 Y N -4.710 115.579 120.300 -0.019 0.000 2.444 117 Y HA 0.082 4.577 4.550 -0.091 0.000 0.249 117 Y C -0.549 175.338 175.900 -0.021 0.000 1.134 117 Y CA -0.657 57.417 58.100 -0.044 0.000 1.261 117 Y CB 1.446 39.886 38.460 -0.032 0.000 1.143 117 Y HN -0.560 7.515 8.280 -0.257 0.051 0.523 118 I N -0.957 119.698 120.570 0.141 0.000 2.439 118 I HA 0.406 4.835 4.170 0.108 -0.195 0.283 118 I C -1.788 174.390 176.117 0.102 0.000 1.023 118 I CA -0.908 60.480 61.300 0.148 0.000 1.100 118 I CB 1.456 39.594 38.000 0.231 0.000 1.238 118 I HN -0.780 7.386 8.210 0.115 0.113 0.445 119 H N 8.424 127.416 119.070 -0.130 0.000 3.029 119 H HA 0.375 4.484 4.556 -0.746 0.000 0.358 119 H C -3.084 172.160 175.328 -0.141 0.000 1.129 119 H CA -1.591 54.263 56.048 -0.323 0.000 1.230 119 H CB 4.331 33.995 29.762 -0.164 0.000 1.827 119 H HN -0.078 8.120 8.280 0.041 0.107 0.530 120 P HA 0.075 4.672 4.420 0.049 -0.147 0.277 120 P C -1.507 175.806 177.300 0.023 0.000 1.240 120 P CA -0.698 62.315 63.100 -0.145 0.000 0.798 120 P CB 1.579 33.131 31.700 -0.246 0.000 0.979 121 V N 0.044 119.912 119.914 -0.076 0.000 2.973 121 V HA 0.101 3.883 4.120 -0.565 0.000 0.314 121 V C -0.414 175.502 176.094 -0.298 0.000 1.066 121 V CA -1.530 60.475 62.300 -0.492 0.000 1.021 121 V CB 2.835 34.015 31.823 -1.072 0.000 1.076 121 V HN -0.252 7.928 8.190 -0.017 0.000 0.462 122 C N 4.215 123.291 119.300 -0.373 0.000 2.364 122 C HA 0.233 4.600 4.460 -0.155 0.000 0.356 122 C C -0.922 174.028 174.990 -0.068 0.000 1.201 122 C CA -0.165 58.691 59.018 -0.270 0.000 2.227 122 C CB 0.853 28.223 27.740 -0.618 0.000 2.387 122 C HN -0.116 7.807 8.230 -0.512 0.000 0.546 123 L N 1.090 122.363 121.223 0.083 0.000 2.322 123 L HA 0.471 4.921 4.340 0.183 0.000 0.279 123 L C -0.932 176.136 176.870 0.331 0.000 1.036 123 L CA -2.321 52.632 54.840 0.189 0.000 0.807 123 L CB 1.099 43.244 42.059 0.142 0.000 1.226 123 L HN 0.282 8.548 8.230 0.059 0.000 0.433 124 P HA 0.183 4.662 4.420 0.098 0.000 0.276 124 P C -2.027 175.346 177.300 0.121 0.000 1.244 124 P CA -0.949 62.237 63.100 0.143 0.000 0.801 124 P CB 0.753 32.463 31.700 0.016 0.000 1.006 125 D N -1.782 118.555 120.400 -0.104 0.000 2.340 125 D HA 0.138 4.885 4.640 0.178 0.000 0.243 125 D C 1.141 177.114 176.300 -0.544 0.000 0.988 125 D CA -1.968 51.982 54.000 -0.084 0.000 0.959 125 D CB 2.588 43.364 40.800 -0.041 0.000 1.226 125 D HN -0.135 8.080 8.370 -0.259 0.000 0.509 126 R N -0.651 119.505 120.500 -0.572 0.000 2.113 126 R HA -0.460 2.766 4.340 -1.856 0.000 0.244 126 R C 2.093 178.090 176.300 -0.505 0.000 1.142 126 R CA 4.237 59.858 56.100 -0.797 0.000 0.953 126 R CB 0.003 30.221 30.300 -0.137 0.000 0.860 126 R HN 0.441 8.652 8.270 -0.098 0.000 0.438 127 E N -4.107 115.909 120.200 -0.306 0.000 2.107 127 E HA -0.134 4.095 4.350 -0.201 0.000 0.191 127 E C 0.096 176.529 176.600 -0.279 0.000 0.982 127 E CA 1.926 58.187 56.400 -0.232 0.000 0.809 127 E CB -0.152 29.456 29.700 -0.153 0.000 0.756 127 E HN -0.386 7.923 8.360 -0.242 -0.094 0.459 128 T N 1.585 115.928 114.554 -0.352 0.000 2.817 128 T HA -0.241 3.905 4.350 -0.341 0.000 0.295 128 T C 0.232 174.711 174.700 -0.368 0.000 0.958 128 T CA 2.996 64.849 62.100 -0.412 0.000 1.157 128 T CB -0.522 67.942 68.868 -0.675 0.000 0.898 128 T HN -0.357 8.002 8.240 -0.356 -0.333 0.536 129 L N 0.888 122.060 121.223 -0.085 0.000 2.462 129 L HA -0.387 4.103 4.340 0.250 0.000 0.463 129 L C -0.435 176.377 176.870 -0.097 0.000 0.716 129 L CA 1.584 56.433 54.840 0.015 0.000 2.997 129 L CB -1.644 40.390 42.059 -0.040 0.000 0.811 129 L HN 0.697 8.837 8.230 -0.151 0.000 0.710 130 L N -0.219 120.873 121.223 -0.219 0.000 2.384 130 L HA -0.035 4.107 4.340 -0.329 0.000 0.258 130 L C -1.153 175.502 176.870 -0.358 0.000 1.266 130 L CA -0.012 54.634 54.840 -0.323 0.000 1.162 130 L CB -1.965 39.869 42.059 -0.375 0.000 1.375 130 L HN -0.022 8.083 8.230 -0.209 0.000 0.420 131 Q N 0.853 120.360 119.800 -0.488 0.000 2.375 131 Q HA 0.247 4.344 4.340 -0.404 0.000 0.271 131 Q C -1.071 174.651 176.000 -0.462 0.000 1.074 131 Q CA -1.992 53.455 55.803 -0.594 0.000 0.808 131 Q CB 4.109 32.224 28.738 -1.039 0.000 1.327 131 Q HN -0.236 7.706 8.270 -0.469 0.047 0.441 132 A N 2.889 125.531 122.820 -0.297 0.000 2.546 132 A HA -0.440 3.924 4.320 -0.155 -0.138 0.243 132 A C 0.675 178.193 177.584 -0.109 0.000 1.063 132 A CA 1.278 53.212 52.037 -0.173 0.000 0.757 132 A CB -0.395 18.527 19.000 -0.129 0.000 0.991 132 A HN 0.526 8.512 8.150 -0.273 0.000 0.503 133 G N 3.733 112.519 108.800 -0.023 0.000 2.279 133 G HA2 -0.354 3.636 3.960 0.050 0.000 0.223 133 G HA3 -0.354 3.670 3.960 0.107 0.000 0.223 133 G C -0.736 174.292 174.900 0.213 0.000 1.015 133 G CA -0.260 44.890 45.100 0.084 0.000 0.621 133 G HN 0.262 8.523 8.290 -0.048 0.000 0.506 134 Y N 2.135 122.402 120.300 -0.055 0.000 2.346 134 Y HA -0.067 4.457 4.550 -0.043 0.000 0.330 134 Y C -0.431 175.451 175.900 -0.031 0.000 1.178 134 Y CA -1.145 56.925 58.100 -0.050 0.000 1.331 134 Y CB 0.508 38.926 38.460 -0.070 0.000 1.253 134 Y HN -0.293 8.004 8.280 0.160 0.078 0.529 135 K N 1.276 121.730 120.400 0.089 0.000 2.110 135 K HA 0.517 5.064 4.320 0.066 -0.188 0.263 135 K C -0.196 176.394 176.600 -0.016 0.000 0.975 135 K CA -0.865 55.446 56.287 0.040 0.000 0.895 135 K CB 2.380 34.885 32.500 0.008 0.000 1.060 135 K HN 0.106 8.369 8.250 0.020 0.000 0.448 136 G N -0.382 108.351 108.800 -0.112 0.000 2.714 136 G HA2 0.649 4.472 3.960 -0.365 0.000 0.292 136 G HA3 0.649 3.778 3.960 -1.385 0.000 0.292 136 G C -2.791 171.788 174.900 -0.534 0.000 1.308 136 G CA -1.367 43.379 45.100 -0.590 0.000 0.964 136 G HN 0.414 8.690 8.290 -0.023 0.000 0.484 137 R N -0.618 119.528 120.500 -0.589 0.000 2.621 137 R HA 0.890 5.302 4.340 -0.165 -0.171 0.292 137 R C -1.986 174.174 176.300 -0.234 0.000 0.969 137 R CA -1.269 54.679 56.100 -0.254 0.000 0.887 137 R CB 4.046 34.319 30.300 -0.046 0.000 1.180 137 R HN 0.270 8.098 8.270 -0.736 0.000 0.450 138 V N 6.706 126.580 119.914 -0.067 0.000 2.680 138 V HA 1.013 5.398 4.120 0.073 -0.221 0.309 138 V C -1.109 174.995 176.094 0.016 0.000 1.052 138 V CA -2.094 60.240 62.300 0.056 0.000 0.908 138 V CB 3.353 35.297 31.823 0.201 0.000 1.001 138 V HN 0.581 8.749 8.190 -0.036 0.000 0.431 139 T N 0.884 115.439 114.554 0.002 0.000 2.906 139 T HA 0.900 5.354 4.350 -0.114 -0.173 0.295 139 T C -1.005 173.609 174.700 -0.143 0.000 1.075 139 T CA -2.514 59.522 62.100 -0.108 0.000 1.005 139 T CB 3.437 72.205 68.868 -0.167 0.000 1.136 139 T HN -0.203 8.066 8.240 0.049 0.000 0.498 140 G N 0.153 108.782 108.800 -0.285 0.000 2.325 140 G HA2 0.213 3.937 3.960 -0.394 0.000 0.297 140 G HA3 0.213 4.286 3.960 -0.060 -0.148 0.297 140 G C -1.980 172.753 174.900 -0.278 0.000 1.448 140 G CA 0.575 45.516 45.100 -0.266 0.000 0.838 140 G HN -0.364 7.722 8.290 -0.340 0.000 0.579 141 W N 0.794 122.114 121.300 0.034 0.000 3.067 141 W HA 0.346 5.007 4.660 0.002 0.000 0.417 141 W C -0.030 176.510 176.519 0.035 0.000 1.029 141 W CA -1.069 56.288 57.345 0.020 0.000 1.992 141 W CB 0.052 29.523 29.460 0.019 0.000 1.122 141 W HN 0.583 8.942 8.180 0.299 0.000 0.681 142 G N 0.883 109.805 108.800 0.203 0.000 2.611 142 G HA2 -0.037 4.028 3.960 0.164 0.000 0.273 142 G HA3 -0.037 4.123 3.960 0.131 -0.122 0.273 142 G C -0.782 174.186 174.900 0.114 0.000 1.305 142 G CA -0.602 44.588 45.100 0.151 0.000 1.010 142 G HN -0.385 8.161 8.290 0.154 -0.163 0.509 143 N N -1.783 116.974 118.700 0.094 0.000 2.374 143 N HA -0.248 4.668 4.740 0.074 -0.132 0.241 143 N C -0.014 175.535 175.510 0.064 0.000 1.262 143 N CA 0.830 53.924 53.050 0.074 0.000 0.880 143 N CB 0.273 38.799 38.487 0.064 0.000 1.105 143 N HN 0.288 8.617 8.380 0.096 0.109 0.438 144 L N -2.487 118.769 121.223 0.055 0.000 2.477 144 L HA 0.160 4.769 4.340 0.046 -0.242 0.220 144 L C 0.661 177.556 176.870 0.041 0.000 1.106 144 L CA 0.626 55.493 54.840 0.046 0.000 0.851 144 L CB 0.929 43.012 42.059 0.040 0.000 0.994 144 L HN 0.452 8.618 8.230 0.054 0.097 0.462 145 K N -4.332 116.093 120.400 0.041 0.000 2.512 145 K HA 0.167 4.508 4.320 0.035 0.000 0.263 145 K C -0.919 175.703 176.600 0.037 0.000 0.966 145 K CA -0.801 55.507 56.287 0.036 0.000 0.851 145 K CB 2.560 35.078 32.500 0.030 0.000 1.395 145 K HN -0.667 7.609 8.250 0.043 0.000 0.440 146 E N 0.314 120.535 120.200 0.034 0.000 2.110 146 E HA -0.250 4.124 4.350 0.040 0.000 0.193 146 E C 0.088 176.707 176.600 0.032 0.000 0.988 146 E CA 2.087 58.508 56.400 0.035 0.000 0.804 146 E CB 0.547 30.265 29.700 0.031 0.000 0.745 146 E HN 0.409 8.788 8.360 0.032 0.000 0.458 151 Q N -0.333 119.496 119.800 0.048 0.000 2.423 151 Q HA 0.311 4.695 4.340 0.073 0.000 0.278 151 Q C -2.058 173.980 176.000 0.064 0.000 1.097 151 Q CA -2.700 53.142 55.803 0.064 0.000 0.809 151 Q CB 2.895 31.671 28.738 0.064 0.000 1.391 151 Q HN -0.180 8.115 8.270 0.043 0.000 0.428 152 P HA 0.357 4.809 4.420 0.053 0.000 0.283 152 P C -0.375 176.976 177.300 0.085 0.000 1.278 152 P CA -1.274 61.871 63.100 0.075 0.000 0.834 152 P CB 1.941 33.687 31.700 0.076 0.000 1.150 153 S N -1.452 114.284 115.700 0.060 0.000 2.483 153 S HA 0.011 4.509 4.470 0.046 0.000 0.221 153 S C -0.109 174.524 174.600 0.056 0.000 1.030 153 S CA 1.672 59.901 58.200 0.048 0.000 0.925 153 S CB 0.458 63.675 63.200 0.028 0.000 0.795 153 S HN 0.442 8.778 8.310 0.044 0.000 0.511 154 V N 0.500 120.435 119.914 0.035 0.000 3.046 154 V HA 0.330 4.574 4.120 -0.054 -0.156 0.316 154 V C -0.775 175.288 176.094 -0.050 0.000 1.104 154 V CA -1.364 60.890 62.300 -0.078 0.000 1.006 154 V CB 3.797 35.503 31.823 -0.194 0.000 1.058 154 V HN -0.781 7.427 8.190 0.030 0.000 0.440 155 L N 2.881 123.963 121.223 -0.236 0.000 2.490 155 L HA -0.064 3.744 4.340 -0.886 0.000 0.274 155 L C -1.344 175.337 176.870 -0.315 0.000 1.201 155 L CA 0.862 55.379 54.840 -0.538 0.000 0.869 155 L CB 0.733 42.426 42.059 -0.609 0.000 1.123 155 L HN -0.173 7.829 8.230 -0.381 0.000 0.484 156 Q N 3.729 123.355 119.800 -0.289 0.000 2.248 156 Q HA 0.869 5.332 4.340 -0.109 -0.189 0.263 156 Q C -0.596 175.319 176.000 -0.141 0.000 1.007 156 Q CA -2.144 53.572 55.803 -0.146 0.000 0.877 156 Q CB 3.417 32.110 28.738 -0.075 0.000 1.315 156 Q HN -0.168 7.867 8.270 -0.391 0.000 0.454 157 V N -0.804 119.063 119.914 -0.077 0.000 2.925 157 V HA 0.698 4.956 4.120 -0.067 -0.178 0.311 157 V C -1.782 174.309 176.094 -0.006 0.000 1.104 157 V CA -1.385 60.882 62.300 -0.055 0.000 0.954 157 V CB 3.497 35.283 31.823 -0.062 0.000 1.022 157 V HN 0.862 8.921 8.190 -0.054 0.100 0.427 158 V N 3.010 122.934 119.914 0.016 0.000 2.932 158 V HA 0.284 4.440 4.120 0.059 0.000 0.307 158 V C -2.787 173.340 176.094 0.054 0.000 1.147 158 V CA -1.725 60.609 62.300 0.057 0.000 0.951 158 V CB 4.630 36.506 31.823 0.089 0.000 1.031 158 V HN 0.221 8.414 8.190 0.005 0.000 0.426 159 N N 6.549 125.297 118.700 0.080 0.000 2.400 159 N HA 0.610 5.495 4.740 -0.008 -0.150 0.288 159 N C -0.883 174.675 175.510 0.080 0.000 1.024 159 N CA -0.920 52.161 53.050 0.051 0.000 0.894 159 N CB 1.769 40.295 38.487 0.065 0.000 1.173 159 N HN 0.192 8.638 8.380 0.110 0.000 0.487 160 L N 1.677 122.907 121.223 0.012 0.000 2.388 160 L HA 0.557 4.732 4.340 -0.275 0.000 0.264 160 L C -2.800 174.019 176.870 -0.084 0.000 0.998 160 L CA -2.976 51.807 54.840 -0.095 0.000 0.817 160 L CB 3.376 45.446 42.059 0.018 0.000 1.338 160 L HN 0.801 9.017 8.230 -0.024 0.000 0.414 161 P HA 0.296 4.887 4.420 -0.008 -0.175 0.278 161 P C -0.852 176.413 177.300 -0.058 0.000 1.238 161 P CA -1.147 61.886 63.100 -0.111 0.000 0.794 161 P CB 0.744 32.344 31.700 -0.167 0.000 0.955 162 I N 1.256 121.816 120.570 -0.016 0.000 2.575 162 I HA -0.089 4.039 4.170 -0.070 0.000 0.285 162 I C -0.015 176.028 176.117 -0.122 0.000 1.085 162 I CA 0.755 62.009 61.300 -0.077 0.000 1.403 162 I CB 1.027 38.946 38.000 -0.135 0.000 1.409 162 I HN 0.015 8.239 8.210 0.024 0.000 0.557 163 V N 5.746 125.558 119.914 -0.170 0.000 2.769 163 V HA 0.208 4.219 4.120 -0.182 0.000 0.312 163 V C -0.513 175.469 176.094 -0.186 0.000 1.058 163 V CA -1.360 60.804 62.300 -0.226 0.000 0.952 163 V CB 2.742 34.303 31.823 -0.438 0.000 1.019 163 V HN -0.085 8.007 8.190 -0.163 0.000 0.445 164 E N 3.830 123.934 120.200 -0.159 0.000 2.384 164 E HA -0.075 4.215 4.350 -0.101 0.000 0.266 164 E C 0.914 177.455 176.600 -0.099 0.000 1.012 164 E CA 0.414 56.748 56.400 -0.110 0.000 0.901 164 E CB 0.414 30.066 29.700 -0.082 0.000 0.967 164 E HN 0.212 8.476 8.360 -0.160 0.000 0.435 165 R N 4.464 124.932 120.500 -0.054 0.000 2.096 165 R HA -0.333 4.005 4.340 -0.004 0.000 0.240 165 R C -0.127 176.177 176.300 0.005 0.000 1.139 165 R CA 5.478 61.572 56.100 -0.009 0.000 0.952 165 R CB -2.498 27.813 30.300 0.019 0.000 0.854 165 R HN 0.562 8.802 8.270 -0.050 0.000 0.436 166 P HA -0.121 4.317 4.420 0.030 0.000 0.216 166 P C 1.333 178.642 177.300 0.015 0.000 1.150 166 P CA 2.965 66.073 63.100 0.013 0.000 0.843 166 P CB -0.690 31.013 31.700 0.005 0.000 0.787 167 V N -1.366 118.532 119.914 -0.027 0.000 2.379 167 V HA -0.449 3.680 4.120 0.017 0.000 0.245 167 V C 1.678 177.749 176.094 -0.038 0.000 1.044 167 V CA 4.116 66.390 62.300 -0.042 0.000 1.036 167 V CB -0.483 31.266 31.823 -0.124 0.000 0.664 167 V HN -0.621 7.520 8.190 -0.050 0.019 0.453 168 c N -0.669 117.878 118.600 -0.087 0.000 2.432 168 c HA -0.347 4.189 4.570 -0.057 0.000 0.277 168 c C 2.833 177.071 174.090 0.247 0.000 1.249 168 c CA 3.568 59.911 56.329 0.023 0.000 1.725 168 c CB -2.037 40.468 42.510 -0.008 0.000 2.028 168 c HN -0.430 7.656 8.230 -0.113 0.076 0.477 169 K N -0.839 119.665 120.400 0.174 0.000 2.147 169 K HA -0.250 4.192 4.320 0.203 0.000 0.205 169 K C 2.570 179.256 176.600 0.143 0.000 1.049 169 K CA 3.261 59.646 56.287 0.164 0.000 0.936 169 K CB -0.375 32.189 32.500 0.107 0.000 0.722 169 K HN 0.101 8.418 8.250 0.112 0.000 0.446 170 D N -3.277 117.198 120.400 0.126 0.000 2.349 170 D HA 0.044 4.742 4.640 0.096 0.000 0.224 170 D C 0.627 177.017 176.300 0.151 0.000 1.029 170 D CA 1.736 55.804 54.000 0.115 0.000 0.879 170 D CB -0.386 40.467 40.800 0.088 0.000 0.906 170 D HN -0.363 7.969 8.370 0.110 0.105 0.528 171 S N -3.107 112.724 115.700 0.219 0.000 2.524 171 S HA -0.034 4.557 4.470 0.203 0.000 0.216 171 S C -0.573 174.157 174.600 0.217 0.000 0.987 171 S CA 1.266 59.619 58.200 0.256 0.000 0.909 171 S CB 1.594 65.062 63.200 0.447 0.000 0.781 171 S HN -0.392 7.890 8.310 0.243 0.174 0.521 172 T N -0.723 113.952 114.554 0.203 0.000 2.812 172 T HA 0.180 4.611 4.350 0.135 0.000 0.294 172 T C -1.226 173.527 174.700 0.089 0.000 1.159 172 T CA -0.939 61.254 62.100 0.155 0.000 1.008 172 T CB 2.205 71.203 68.868 0.217 0.000 1.289 172 T HN -0.910 7.405 8.240 0.205 0.048 0.514 173 R N 0.777 121.304 120.500 0.046 0.000 2.308 173 R HA 0.183 4.532 4.340 0.014 0.000 0.202 173 R C 0.435 176.714 176.300 -0.035 0.000 0.898 173 R CA 0.326 56.429 56.100 0.004 0.000 1.046 173 R CB 0.873 31.164 30.300 -0.014 0.000 1.026 173 R HN 0.331 8.629 8.270 0.047 0.000 0.512 174 I N 0.524 121.059 120.570 -0.059 0.000 2.720 174 I HA -0.154 3.916 4.170 -0.167 0.000 0.287 174 I C -0.511 175.558 176.117 -0.080 0.000 1.090 174 I CA -0.278 60.932 61.300 -0.150 0.000 1.384 174 I CB 0.934 38.721 38.000 -0.354 0.000 1.420 174 I HN -0.469 7.687 8.210 -0.020 0.042 0.575 175 R N 4.810 125.249 120.500 -0.102 0.000 2.216 175 R HA 0.000 4.330 4.340 -0.017 0.000 0.332 175 R C -1.115 175.171 176.300 -0.023 0.000 1.056 175 R CA -0.233 55.838 56.100 -0.049 0.000 0.901 175 R CB -0.242 30.019 30.300 -0.065 0.000 1.039 175 R HN 0.110 8.290 8.270 -0.150 0.000 0.456 176 I N 6.606 127.201 120.570 0.041 0.000 2.612 176 I HA 0.132 4.376 4.170 0.123 0.000 0.295 176 I C -0.035 176.135 176.117 0.087 0.000 1.011 176 I CA -2.073 59.293 61.300 0.109 0.000 1.326 176 I CB 1.272 39.386 38.000 0.190 0.000 1.427 176 I HN 0.206 8.445 8.210 0.049 0.000 0.537 177 T N -1.701 112.917 114.554 0.107 0.000 2.858 177 T HA 0.248 4.628 4.350 0.050 0.000 0.285 177 T C 0.080 174.837 174.700 0.095 0.000 1.052 177 T CA -2.462 59.681 62.100 0.071 0.000 1.009 177 T CB 3.464 72.356 68.868 0.040 0.000 1.241 177 T HN -0.309 8.021 8.240 0.151 0.000 0.542 178 D N -0.931 119.503 120.400 0.057 0.000 2.371 178 D HA -0.089 4.597 4.640 0.076 0.000 0.221 178 D C 0.060 176.390 176.300 0.050 0.000 0.986 178 D CA 1.844 55.872 54.000 0.047 0.000 0.899 178 D CB -0.648 40.151 40.800 -0.003 0.000 0.902 178 D HN 0.358 8.748 8.370 0.032 0.000 0.530 179 N N -1.971 116.773 118.700 0.073 0.000 2.276 179 N HA 0.084 4.867 4.740 0.071 0.000 0.212 179 N C -1.646 173.995 175.510 0.218 0.000 1.127 179 N CA -0.157 52.956 53.050 0.105 0.000 0.834 179 N CB 0.629 39.143 38.487 0.046 0.000 1.014 179 N HN -0.572 7.783 8.380 0.068 0.066 0.491 180 M N -2.138 117.615 119.600 0.256 0.000 2.575 180 M HA 0.869 5.682 4.480 0.190 -0.220 0.284 180 M C -2.275 174.212 176.300 0.313 0.000 1.253 180 M CA -0.464 54.987 55.300 0.253 0.000 0.861 180 M CB 5.285 38.063 32.600 0.297 0.000 1.733 180 M HN -0.774 7.572 8.290 0.234 0.085 0.462 181 F N -3.821 116.200 119.950 0.118 0.000 2.643 181 F HA 0.648 5.177 4.527 0.003 0.000 0.314 181 F C -2.926 172.759 175.800 -0.192 0.000 1.096 181 F CA -1.647 56.332 58.000 -0.035 0.000 0.953 181 F CB 2.531 41.447 39.000 -0.139 0.000 1.345 181 F HN -0.038 8.148 8.300 -0.189 0.000 0.468 182 c N -2.160 116.323 118.600 -0.196 0.000 2.779 182 c HA 1.078 5.407 4.570 -0.651 -0.150 0.314 182 c C -1.909 172.037 174.090 -0.241 0.000 1.231 182 c CA -3.877 52.105 56.329 -0.578 0.000 1.652 182 c CB 3.910 45.701 42.510 -1.198 0.000 2.198 182 c HN 0.528 8.728 8.230 -0.050 0.000 0.483 183 A N 0.476 123.206 122.820 -0.150 0.000 2.486 183 A HA 0.736 5.084 4.320 -0.105 -0.091 0.300 183 A C -2.288 175.340 177.584 0.073 0.000 1.048 183 A CA -0.899 51.111 52.037 -0.046 0.000 0.696 183 A CB 3.173 22.138 19.000 -0.059 0.000 1.278 183 A HN 0.461 8.523 8.150 -0.147 0.000 0.405 184 Y N 2.669 123.087 120.300 0.196 0.000 2.301 184 Y HA -0.021 4.755 4.550 0.152 -0.135 0.328 184 Y C 0.535 176.562 175.900 0.211 0.000 1.242 184 Y CA -0.740 57.458 58.100 0.163 0.000 1.323 184 Y CB 1.622 40.139 38.460 0.095 0.000 1.266 184 Y HN 0.332 8.757 8.280 0.241 0.000 0.527 185 K N -0.534 120.085 120.400 0.366 0.000 2.418 185 K HA -0.038 4.495 4.320 0.355 0.000 0.195 185 K C 0.210 176.915 176.600 0.175 0.000 1.035 185 K CA -0.376 56.081 56.287 0.282 0.000 1.003 185 K CB -0.056 32.573 32.500 0.215 0.000 0.793 185 K HN 0.224 8.697 8.250 0.371 0.000 0.494 186 K N -1.759 118.457 120.400 -0.306 0.000 7.032 186 K HA -0.449 3.663 4.320 -0.347 0.000 0.575 186 K C -1.126 175.242 176.600 -0.388 0.000 2.581 186 K CA 1.034 56.984 56.287 -0.561 0.000 2.024 186 K CB -0.219 31.490 32.500 -1.318 0.000 2.044 186 K HN -0.015 8.076 8.250 -0.263 0.000 0.295 187 R N 1.356 121.750 120.500 -0.176 0.000 3.084 187 R HA 0.229 4.647 4.340 0.131 0.000 0.234 187 R C -1.275 175.140 176.300 0.190 0.000 1.433 187 R CA -1.577 54.558 56.100 0.058 0.000 1.053 187 R CB 2.029 32.347 30.300 0.030 0.000 1.449 187 R HN 0.085 8.243 8.270 -0.186 0.000 0.505 188 G N -1.260 107.645 108.800 0.176 0.000 2.435 188 G HA2 -0.158 4.158 3.960 0.126 0.000 0.603 188 G HA3 -0.158 3.939 3.960 0.229 0.000 0.603 188 G C -2.469 172.528 174.900 0.163 0.000 1.496 188 G CA -0.350 44.856 45.100 0.177 0.000 0.896 188 G HN 0.184 8.875 8.290 0.132 -0.321 0.657 189 D N -0.537 119.941 120.400 0.129 0.000 2.755 189 D HA 0.250 4.981 4.640 0.151 0.000 0.277 189 D C -2.556 173.809 176.300 0.109 0.000 1.261 189 D CA -0.297 53.776 54.000 0.121 0.000 0.759 189 D CB 3.261 44.111 40.800 0.083 0.000 1.279 189 D HN -0.298 8.141 8.370 0.115 0.000 0.420 190 A N -1.159 121.725 122.820 0.107 0.000 2.256 190 A HA 0.285 4.664 4.320 0.099 0.000 0.318 190 A C -2.023 175.603 177.584 0.071 0.000 1.103 190 A CA -1.166 50.929 52.037 0.096 0.000 0.860 190 A CB 2.431 21.490 19.000 0.098 0.000 1.182 190 A HN 0.259 8.470 8.150 0.101 0.000 0.501 191 c N -2.424 116.221 118.600 0.076 0.000 3.316 191 c HA 0.284 4.893 4.570 0.066 0.000 0.360 191 c C -1.340 172.801 174.090 0.086 0.000 1.560 191 c CA -0.878 55.494 56.329 0.072 0.000 1.229 191 c CB 3.542 46.092 42.510 0.066 0.000 1.823 191 c HN 0.264 8.866 8.230 0.084 -0.322 0.440 192 E N 1.486 121.736 120.200 0.083 0.000 2.652 192 E HA -0.285 4.126 4.350 0.102 0.000 0.255 192 E C 0.821 177.484 176.600 0.105 0.000 0.952 192 E CA 2.301 58.756 56.400 0.092 0.000 0.947 192 E CB 0.309 30.055 29.700 0.076 0.000 0.912 192 E HN 0.522 8.926 8.360 0.073 0.000 0.489 193 G N 6.250 115.122 108.800 0.121 0.000 2.232 193 G HA2 -0.381 3.660 3.960 0.134 0.000 0.226 193 G HA3 -0.381 3.665 3.960 0.142 0.000 0.226 193 G C 0.607 175.604 174.900 0.163 0.000 0.996 193 G CA 0.949 46.133 45.100 0.140 0.000 0.626 193 G HN 0.766 9.132 8.290 0.127 0.000 0.509 194 D N 0.900 121.387 120.400 0.144 0.000 2.354 194 D HA 0.111 4.843 4.640 0.153 0.000 0.209 194 D C 0.097 176.484 176.300 0.145 0.000 1.015 194 D CA 0.854 54.938 54.000 0.140 0.000 0.867 194 D CB 0.432 41.301 40.800 0.115 0.000 0.933 194 D HN 0.115 8.483 8.370 0.129 0.079 0.520 195 S N -0.988 114.805 115.700 0.154 0.000 2.558 195 S HA -0.488 4.189 4.470 0.171 -0.104 0.287 195 S C 1.149 175.811 174.600 0.104 0.000 1.321 195 S CA 2.724 61.024 58.200 0.166 0.000 1.048 195 S CB 0.360 63.722 63.200 0.271 0.000 0.844 195 S HN -0.351 8.055 8.310 0.160 0.000 0.512 196 G N 2.993 111.845 108.800 0.086 0.000 2.253 196 G HA2 -0.448 3.618 3.960 0.053 0.000 0.251 196 G HA3 -0.448 3.662 3.960 0.045 -0.123 0.251 196 G C -0.468 174.515 174.900 0.139 0.000 0.998 196 G CA 0.298 45.442 45.100 0.074 0.000 0.621 196 G HN 0.622 8.984 8.290 0.120 0.000 0.524 197 G N 0.591 109.487 108.800 0.161 0.000 2.580 197 G HA2 0.385 4.454 3.960 0.182 0.000 0.278 197 G HA3 0.385 4.444 3.960 0.166 0.000 0.278 197 G C -2.737 172.296 174.900 0.221 0.000 1.212 197 G CA -2.161 43.048 45.100 0.182 0.000 0.939 197 G HN -0.561 7.721 8.290 0.154 0.100 0.513 198 P HA 0.358 5.070 4.420 0.260 -0.136 0.286 198 P C -2.032 175.431 177.300 0.272 0.000 1.261 198 P CA -1.136 62.110 63.100 0.242 0.000 0.821 198 P CB 1.553 33.376 31.700 0.205 0.000 1.013 199 F N 3.897 123.932 119.950 0.142 0.000 2.403 199 F HA 0.745 5.519 4.527 0.071 -0.204 0.355 199 F C -2.023 173.839 175.800 0.103 0.000 1.119 199 F CA -2.428 55.619 58.000 0.078 0.000 1.007 199 F CB 2.850 41.816 39.000 -0.056 0.000 1.194 199 F HN -0.020 8.509 8.300 0.381 0.000 0.443 200 V N 3.691 123.516 119.914 -0.148 0.000 2.919 200 V HA 0.934 5.261 4.120 0.114 -0.139 0.316 200 V C -2.177 173.926 176.094 0.016 0.000 1.077 200 V CA -3.120 59.202 62.300 0.035 0.000 0.977 200 V CB 3.768 35.679 31.823 0.148 0.000 1.039 200 V HN 0.717 8.738 8.190 -0.282 0.000 0.441 201 M N 0.191 119.876 119.600 0.143 0.000 2.572 201 M HA 0.411 4.886 4.480 -0.010 0.000 0.299 201 M C -1.934 174.295 176.300 -0.117 0.000 1.205 201 M CA -0.587 54.726 55.300 0.021 0.000 0.876 201 M CB 5.064 37.664 32.600 -0.000 0.000 1.728 201 M HN 0.553 8.959 8.290 0.193 0.000 0.458 202 K N 1.275 121.391 120.400 -0.474 0.000 2.235 202 K HA 0.384 4.367 4.320 -0.799 -0.142 0.266 202 K C -0.829 175.548 176.600 -0.372 0.000 0.980 202 K CA -1.202 54.599 56.287 -0.811 0.000 0.849 202 K CB 1.585 33.212 32.500 -1.454 0.000 1.098 202 K HN 0.281 8.295 8.250 -0.393 0.000 0.445 203 S N 6.771 122.359 115.700 -0.186 0.000 2.121 203 S HA -0.235 4.158 4.470 -0.128 0.000 0.153 203 S C 0.767 175.284 174.600 -0.138 0.000 1.392 203 S CA 1.222 59.362 58.200 -0.101 0.000 2.333 203 S CB 1.138 64.370 63.200 0.053 0.000 0.305 203 S HN 0.748 8.983 8.310 -0.126 0.000 0.351 204 N N 0.283 118.977 118.700 -0.010 0.000 2.231 204 N HA -0.366 4.374 4.740 -0.000 0.000 0.232 204 N C -0.312 175.195 175.510 -0.004 0.000 1.357 204 N CA 1.026 54.081 53.050 0.009 0.000 0.795 204 N CB -1.273 37.244 38.487 0.049 0.000 1.266 204 N HN 0.563 8.938 8.380 -0.008 0.000 0.616 205 N N -5.272 113.403 118.700 -0.041 0.000 2.708 205 N HA -0.456 4.300 4.740 -0.143 -0.102 0.251 205 N C -1.593 173.855 175.510 -0.103 0.000 1.123 205 N CA 1.547 54.546 53.050 -0.086 0.000 0.739 205 N CB -0.549 37.910 38.487 -0.048 0.000 1.113 205 N HN -0.142 8.207 8.380 -0.052 0.000 0.561 206 R N -3.578 116.877 120.500 -0.075 0.000 2.643 206 R HA 0.163 4.479 4.340 -0.039 0.000 0.272 206 R C -1.015 175.149 176.300 -0.228 0.000 0.995 206 R CA -1.202 54.823 56.100 -0.126 0.000 1.032 206 R CB 2.383 32.543 30.300 -0.233 0.000 1.126 206 R HN -0.460 7.763 8.270 -0.001 0.046 0.505 207 W N -0.476 120.686 121.300 -0.231 0.000 2.390 207 W HA 0.448 5.249 4.660 -0.058 -0.176 0.312 207 W C -0.266 175.944 176.519 -0.515 0.000 1.123 207 W CA -0.674 56.527 57.345 -0.239 0.000 1.202 207 W CB 1.449 30.769 29.460 -0.234 0.000 1.251 207 W HN 0.284 8.511 8.180 0.079 0.000 0.511 208 Y N 0.867 121.159 120.300 -0.012 0.000 2.446 208 Y HA 0.451 5.135 4.550 -0.104 -0.196 0.345 208 Y C -1.265 174.606 175.900 -0.048 0.000 0.984 208 Y CA -1.637 56.425 58.100 -0.065 0.000 1.058 208 Y CB 4.104 42.537 38.460 -0.046 0.000 1.220 208 Y HN 0.792 9.217 8.280 0.241 0.000 0.455 209 Q N 2.607 122.453 119.800 0.076 0.000 2.349 209 Q HA 0.316 4.830 4.340 0.092 -0.119 0.254 209 Q C -0.634 175.486 176.000 0.201 0.000 0.980 209 Q CA -0.742 55.116 55.803 0.092 0.000 0.924 209 Q CB 1.187 29.941 28.738 0.027 0.000 1.209 209 Q HN 0.467 8.772 8.270 0.058 0.000 0.445 210 M N 5.469 125.227 119.600 0.263 0.000 2.486 210 M HA 0.125 4.707 4.480 0.169 0.000 0.264 210 M C -0.487 176.022 176.300 0.348 0.000 1.125 210 M CA -0.164 55.278 55.300 0.237 0.000 1.144 210 M CB 0.822 33.518 32.600 0.160 0.000 1.353 210 M HN 0.176 8.646 8.290 0.301 0.000 0.466 211 G N -3.705 105.375 108.800 0.465 0.000 2.725 211 G HA2 0.611 5.010 3.960 0.361 0.000 0.288 211 G HA3 0.611 4.756 3.960 0.307 0.000 0.288 211 G C -3.170 171.931 174.900 0.335 0.000 1.399 211 G CA -0.627 44.705 45.100 0.386 0.000 0.859 211 G HN -0.471 8.125 8.290 0.510 0.000 0.479 212 I N -1.427 119.309 120.570 0.277 0.000 2.498 212 I HA 0.553 5.079 4.170 0.285 -0.185 0.290 212 I C -0.527 175.743 176.117 0.255 0.000 1.032 212 I CA -1.404 60.053 61.300 0.262 0.000 1.073 212 I CB 4.314 42.430 38.000 0.194 0.000 1.251 212 I HN -0.396 8.014 8.210 0.203 -0.078 0.426 213 V N 6.942 127.006 119.914 0.250 0.000 2.458 213 V HA -0.219 3.720 4.120 -0.302 0.000 0.287 213 V C -1.080 175.033 176.094 0.031 0.000 1.009 213 V CA 2.089 64.404 62.300 0.026 0.000 1.091 213 V CB -1.197 30.697 31.823 0.117 0.000 0.960 213 V HN 0.656 9.010 8.190 0.274 0.000 0.476 214 S N 7.479 123.108 115.700 -0.118 0.000 2.942 214 S HA 0.459 5.147 4.470 0.363 0.000 0.220 214 S C -1.149 173.530 174.600 0.132 0.000 0.945 214 S CA 1.258 59.535 58.200 0.128 0.000 0.851 214 S CB 2.146 65.415 63.200 0.116 0.000 0.820 214 S HN 0.148 8.183 8.310 -0.459 0.000 0.624 215 W N -1.584 119.659 121.300 -0.095 0.000 3.025 215 W HA 0.416 5.006 4.660 -0.116 0.000 0.343 215 W C -2.511 174.006 176.519 -0.003 0.000 1.246 215 W CA -0.659 56.630 57.345 -0.093 0.000 1.178 215 W CB 2.145 31.522 29.460 -0.138 0.000 1.463 215 W HN -0.487 7.426 8.180 -0.445 0.000 0.578 216 G N -1.065 107.896 108.800 0.269 0.000 2.645 216 G HA2 0.214 4.238 3.960 0.106 0.000 0.292 216 G HA3 0.214 4.216 3.960 0.069 0.000 0.292 216 G C -1.493 173.573 174.900 0.277 0.000 1.415 216 G CA -0.815 44.389 45.100 0.174 0.000 0.785 216 G HN -0.276 8.227 8.290 0.355 0.000 0.483 220 c N 1.801 120.425 118.600 0.039 0.000 3.206 220 c HA 0.358 5.103 4.570 0.040 -0.151 0.206 220 c C -1.323 172.785 174.090 0.030 0.000 1.836 220 c CA -1.053 55.300 56.329 0.039 0.000 1.382 220 c CB -0.941 41.596 42.510 0.045 0.000 2.405 220 c HN 0.086 8.635 8.230 0.034 -0.299 0.516 221 R N -0.816 119.672 120.500 -0.019 0.000 2.728 221 R HA 0.206 4.539 4.340 -0.011 0.000 0.259 221 R C -2.611 173.650 176.300 -0.065 0.000 1.057 221 R CA -0.545 55.539 56.100 -0.027 0.000 0.908 221 R CB 2.741 33.030 30.300 -0.018 0.000 1.259 221 R HN 0.097 8.355 8.270 -0.020 0.000 0.472 222 D N 1.881 122.252 120.400 -0.048 0.000 2.350 222 D HA -0.009 4.582 4.640 -0.080 0.000 0.249 222 D C 0.660 176.903 176.300 -0.094 0.000 1.119 222 D CA 0.863 54.824 54.000 -0.064 0.000 0.886 222 D CB 0.069 40.855 40.800 -0.023 0.000 1.195 222 D HN 0.215 8.570 8.370 -0.026 0.000 0.437 223 G N 1.856 110.558 108.800 -0.163 0.000 2.195 223 G HA2 -0.357 3.554 3.960 -0.081 0.000 0.246 223 G HA3 -0.357 3.572 3.960 -0.051 0.000 0.246 223 G C -0.858 173.870 174.900 -0.286 0.000 0.984 223 G CA 0.095 45.110 45.100 -0.142 0.000 0.633 223 G HN 0.361 8.532 8.290 -0.198 0.000 0.525 224 K N -0.865 119.280 120.400 -0.426 0.000 2.281 224 K HA 0.406 4.617 4.320 -0.181 0.000 0.242 224 K C -1.318 174.838 176.600 -0.740 0.000 0.971 224 K CA -1.390 54.680 56.287 -0.362 0.000 0.834 224 K CB 2.395 34.833 32.500 -0.102 0.000 1.181 224 K HN -0.824 7.127 8.250 -0.363 0.081 0.435 225 Y N -2.129 118.189 120.300 0.030 0.000 2.638 225 Y HA 0.110 4.625 4.550 -0.059 0.000 0.339 225 Y C -1.109 174.678 175.900 -0.187 0.000 1.084 225 Y CA -0.706 57.330 58.100 -0.107 0.000 1.068 225 Y CB 3.310 41.618 38.460 -0.253 0.000 1.294 225 Y HN 0.310 8.644 8.280 0.090 0.000 0.480 226 G N -1.776 106.960 108.800 -0.106 0.000 2.389 226 G HA2 0.554 4.383 3.960 -0.218 0.000 0.328 226 G HA3 0.554 4.384 3.960 -0.217 0.000 0.328 226 G C -2.440 172.052 174.900 -0.680 0.000 1.133 226 G CA -1.530 43.399 45.100 -0.285 0.000 0.891 226 G HN 0.025 8.321 8.290 0.011 0.000 0.485 227 F N 1.647 121.070 119.950 -0.878 0.000 2.480 227 F HA 0.728 5.067 4.527 -0.578 -0.158 0.329 227 F C -0.921 174.246 175.800 -1.056 0.000 1.091 227 F CA -1.208 56.226 58.000 -0.943 0.000 0.972 227 F CB 3.658 41.732 39.000 -1.543 0.000 1.150 227 F HN 0.597 8.529 8.300 -0.613 0.000 0.467 228 Y N 0.350 120.283 120.300 -0.611 0.000 2.499 228 Y HA 0.636 5.128 4.550 -0.340 -0.146 0.347 228 Y C 0.151 175.781 175.900 -0.450 0.000 0.987 228 Y CA -1.862 55.856 58.100 -0.636 0.000 1.044 228 Y CB 3.328 41.061 38.460 -1.212 0.000 1.245 228 Y HN 0.855 8.843 8.280 -0.486 0.000 0.461 229 T N 4.354 118.894 114.554 -0.024 0.000 2.884 229 T HA 0.008 4.576 4.350 0.127 -0.142 0.298 229 T C -0.874 173.946 174.700 0.200 0.000 0.998 229 T CA 1.029 63.195 62.100 0.109 0.000 1.124 229 T CB 0.612 69.567 68.868 0.146 0.000 0.931 229 T HN 0.400 8.659 8.240 0.031 0.000 0.531 230 H N 8.193 127.391 119.070 0.213 0.000 2.969 230 H HA 0.106 4.985 4.556 0.539 0.000 0.269 230 H C 0.467 175.945 175.328 0.250 0.000 1.223 230 H CA -0.693 55.560 56.048 0.342 0.000 1.400 230 H CB -0.323 29.618 29.762 0.298 0.000 1.500 230 H HN -0.117 8.366 8.280 0.338 0.000 0.486 231 V N 7.667 127.824 119.914 0.405 0.000 2.287 231 V HA -0.496 3.796 4.120 0.287 0.000 0.248 231 V C 1.896 178.201 176.094 0.352 0.000 1.053 231 V CA 4.324 66.824 62.300 0.334 0.000 1.027 231 V CB -0.278 31.715 31.823 0.283 0.000 0.646 231 V HN -0.339 8.065 8.190 0.357 0.000 0.447 232 F N -0.329 119.821 119.950 0.333 0.000 2.134 232 F HA -0.278 4.353 4.527 0.174 0.000 0.299 232 F C 1.463 177.379 175.800 0.195 0.000 1.097 232 F CA 2.838 60.985 58.000 0.245 0.000 1.264 232 F CB -0.128 39.010 39.000 0.229 0.000 1.001 232 F HN -0.356 8.287 8.300 0.571 0.000 0.479 233 R N -3.301 117.222 120.500 0.037 0.000 2.285 233 R HA -0.230 3.903 4.340 -0.345 0.000 0.213 233 R C 0.954 177.185 176.300 -0.116 0.000 1.068 233 R CA 2.164 58.143 56.100 -0.202 0.000 1.004 233 R CB -0.185 29.977 30.300 -0.230 0.000 0.873 233 R HN -0.559 7.991 8.270 0.465 0.000 0.467 234 L N -4.198 117.028 121.223 0.005 0.000 2.808 234 L HA 0.345 4.754 4.340 0.115 0.000 0.246 234 L C 0.017 176.982 176.870 0.158 0.000 1.153 234 L CA -0.890 54.023 54.840 0.121 0.000 0.956 234 L CB 0.196 42.371 42.059 0.193 0.000 1.270 234 L HN -0.446 7.655 8.230 0.072 0.173 0.528 235 K N 1.611 122.005 120.400 -0.010 0.000 2.103 235 K HA -0.420 3.940 4.320 0.067 0.000 0.207 235 K C 1.374 177.963 176.600 -0.018 0.000 1.048 235 K CA 3.906 60.183 56.287 -0.016 0.000 0.930 235 K CB -0.272 32.148 32.500 -0.133 0.000 0.716 235 K HN -0.571 7.416 8.250 -0.147 0.175 0.444 236 K N -2.243 118.137 120.400 -0.034 0.000 2.057 236 K HA -0.306 3.984 4.320 -0.051 0.000 0.207 236 K C 2.233 178.846 176.600 0.022 0.000 1.049 236 K CA 2.845 59.120 56.287 -0.019 0.000 0.931 236 K CB -1.208 31.284 32.500 -0.014 0.000 0.714 236 K HN 0.145 8.347 8.250 -0.081 0.000 0.440 237 W N 0.757 122.026 121.300 -0.051 0.000 2.335 237 W HA -0.310 4.305 4.660 -0.076 0.000 0.311 237 W C 1.648 178.116 176.519 -0.085 0.000 1.213 237 W CA 3.487 60.797 57.345 -0.059 0.000 1.274 237 W CB -0.220 29.231 29.460 -0.015 0.000 1.148 237 W HN -0.885 7.446 8.180 0.255 0.002 0.498 238 I N -1.617 118.888 120.570 -0.107 0.000 2.091 238 I HA -0.790 2.937 4.170 -0.738 0.000 0.239 238 I C 2.069 177.917 176.117 -0.449 0.000 1.061 238 I CA 4.212 65.285 61.300 -0.379 0.000 1.317 238 I CB -0.382 37.566 38.000 -0.087 0.000 1.031 238 I HN -0.511 7.763 8.210 0.212 0.063 0.401 239 Q N -1.788 117.851 119.800 -0.268 0.000 2.112 239 Q HA -0.474 3.708 4.340 -0.263 0.000 0.206 239 Q C 2.270 178.088 176.000 -0.303 0.000 0.987 239 Q CA 3.470 59.124 55.803 -0.248 0.000 0.858 239 Q CB -0.376 28.277 28.738 -0.142 0.000 0.905 239 Q HN 0.259 8.323 8.270 -0.166 0.106 0.420 240 K N -0.473 119.745 120.400 -0.304 0.000 2.009 240 K HA -0.318 3.978 4.320 -0.239 -0.119 0.210 240 K C 2.135 178.495 176.600 -0.399 0.000 1.049 240 K CA 3.169 59.276 56.287 -0.300 0.000 0.929 240 K CB 0.054 32.415 32.500 -0.232 0.000 0.714 240 K HN -0.361 7.714 8.250 -0.271 0.013 0.440 241 V N -3.077 116.499 119.914 -0.562 0.000 2.427 241 V HA -0.263 3.712 4.120 -0.242 0.000 0.248 241 V C 1.458 177.266 176.094 -0.476 0.000 1.051 241 V CA 2.576 64.597 62.300 -0.466 0.000 1.048 241 V CB 0.187 31.546 31.823 -0.772 0.000 0.666 241 V HN -0.605 7.143 8.190 -0.736 0.000 0.456 242 I N 1.343 121.501 120.570 -0.687 0.000 2.113 242 I HA -0.508 3.115 4.170 -0.912 0.000 0.238 242 I C 0.320 176.264 176.117 -0.289 0.000 1.070 242 I CA 4.090 64.973 61.300 -0.695 0.000 1.332 242 I CB 0.008 37.525 38.000 -0.805 0.000 1.044 242 I HN -0.355 7.421 8.210 -0.711 0.008 0.402 243 D N -4.587 115.653 120.400 -0.267 0.000 2.400 243 D HA 0.033 4.764 4.640 -0.108 -0.156 0.243 243 D C -0.044 176.123 176.300 -0.221 0.000 1.184 243 D CA 0.409 54.305 54.000 -0.174 0.000 0.853 243 D CB -0.981 39.733 40.800 -0.142 0.000 0.944 243 D HN -0.223 7.962 8.370 -0.308 0.000 0.501 244 Q N -2.044 117.553 119.800 -0.339 0.000 2.534 244 Q HA 0.042 4.131 4.340 -0.419 0.000 0.252 244 Q C 0.434 176.023 176.000 -0.685 0.000 0.850 244 Q CA 0.899 56.348 55.803 -0.591 0.000 0.974 244 Q CB 2.306 30.509 28.738 -0.890 0.000 1.205 244 Q HN -0.644 7.211 8.270 -0.317 0.225 0.593 245 F N -1.737 118.203 119.950 -0.018 0.000 2.654 245 F HA 0.346 4.939 4.527 0.110 0.000 0.303 245 F C -1.126 174.816 175.800 0.237 0.000 1.099 245 F CA -0.372 57.700 58.000 0.120 0.000 1.270 245 F CB 1.178 40.270 39.000 0.153 0.000 1.024 245 F HN 0.115 8.169 8.300 -0.238 0.104 0.548 246 G N -2.478 106.502 108.800 0.300 0.000 2.373 246 G HA2 -0.136 3.949 3.960 0.208 0.000 0.250 246 G HA3 -0.136 4.092 3.960 0.447 0.000 0.250 246 G C -3.232 171.845 174.900 0.295 0.000 1.304 246 G CA 0.296 45.593 45.100 0.329 0.000 0.948 246 G HN -0.478 7.893 8.290 0.134 0.000 0.474 247 E N 0.000 120.430 120.200 0.384 0.000 2.725 247 E HA 0.000 4.507 4.350 0.262 0.000 0.291 247 E CA 0.000 56.574 56.400 0.289 0.000 0.976 247 E CB 0.000 29.776 29.700 0.126 0.000 0.812 247 E HN 0.000 8.597 8.360 0.395 0.000 0.440