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 1h6q_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLYKDVISG DELVSDAYDL KEVDDIVYEA DCQMVTVKQG GDVDIGANPS DATA SEQUENCE AEDAEENAEE GTETVNNLVY SFRLSPTSFD KKSYMSYIKG YMKAIKARLQ DATA SEQUENCE ESNPERVPVF EKNAIGFVKK ILANFKDYDF YIGESMDPDA MVVLMNYRED DATA SEQUENCE GITPYMIFFK DGLVSEKF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.504 4.480 0.040 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.633 32.600 0.056 0.000 1.302 2 L N 2.406 123.602 121.223 -0.045 0.000 2.461 2 L HA 0.001 4.215 4.340 -0.211 0.000 0.272 2 L C -0.805 175.822 176.870 -0.404 0.000 1.197 2 L CA 0.626 55.324 54.840 -0.236 0.000 0.836 2 L CB 0.469 42.380 42.059 -0.248 0.000 1.105 2 L HN -0.546 7.688 8.230 0.007 0.000 0.477 3 L N 0.590 121.473 121.223 -0.568 0.000 2.333 3 L HA 0.283 4.443 4.340 -0.299 0.000 0.280 3 L C -1.359 175.117 176.870 -0.657 0.000 1.004 3 L CA -0.792 53.767 54.840 -0.470 0.000 0.820 3 L CB 1.511 43.378 42.059 -0.320 0.000 1.247 3 L HN 0.071 7.979 8.230 -0.535 0.000 0.416 4 Y N 2.532 122.749 120.300 -0.138 0.000 2.328 4 Y HA 0.753 5.489 4.550 -0.089 -0.238 0.337 4 Y C -0.740 175.055 175.900 -0.175 0.000 0.966 4 Y CA -2.014 56.008 58.100 -0.131 0.000 1.136 4 Y CB 1.822 40.211 38.460 -0.120 0.000 1.170 4 Y HN 0.660 8.861 8.280 -0.132 0.000 0.470 5 K N 1.002 121.396 120.400 -0.009 0.000 2.400 5 K HA 0.411 4.776 4.320 -0.071 -0.088 0.246 5 K C -2.128 174.472 176.600 -0.000 0.000 0.995 5 K CA -2.554 53.707 56.287 -0.044 0.000 0.840 5 K CB 3.255 35.710 32.500 -0.074 0.000 1.293 5 K HN -0.223 8.028 8.250 0.002 0.000 0.445 6 D N -0.667 119.736 120.400 0.005 0.000 2.229 6 D HA 0.135 4.889 4.640 0.038 -0.092 0.249 6 D C 1.052 177.361 176.300 0.015 0.000 1.027 6 D CA -0.980 53.038 54.000 0.030 0.000 0.923 6 D CB 2.297 43.134 40.800 0.060 0.000 1.174 6 D HN 0.213 8.578 8.370 -0.009 0.000 0.443 7 V N -0.282 119.641 119.914 0.015 0.000 3.471 7 V HA 0.092 4.209 4.120 -0.005 0.000 0.258 7 V C -0.306 175.790 176.094 0.004 0.000 1.192 7 V CA 1.179 63.478 62.300 0.000 0.000 1.116 7 V CB 0.325 32.141 31.823 -0.011 0.000 0.792 7 V HN 0.225 8.428 8.190 0.022 0.000 0.459 8 I N 1.066 121.649 120.570 0.022 0.000 2.333 8 I HA -0.248 3.925 4.170 0.004 0.000 0.246 8 I C 0.634 176.771 176.117 0.034 0.000 1.106 8 I CA 2.352 63.669 61.300 0.027 0.000 1.411 8 I CB 0.501 38.537 38.000 0.061 0.000 1.082 8 I HN -0.783 7.597 8.210 0.037 -0.148 0.420 9 S N -5.857 109.869 115.700 0.042 0.000 4.553 9 S HA -0.036 4.443 4.470 0.016 0.000 0.049 9 S C -0.509 174.108 174.600 0.028 0.000 0.861 9 S CA 0.395 58.613 58.200 0.029 0.000 0.875 9 S CB -0.718 62.500 63.200 0.031 0.000 0.541 9 S HN -0.350 7.991 8.310 0.052 0.000 0.788 10 G N -1.711 107.105 108.800 0.026 0.000 2.559 10 G HA2 0.157 4.133 3.960 0.027 0.000 0.209 10 G HA3 0.157 4.128 3.960 0.018 0.000 0.209 10 G C -1.088 173.806 174.900 -0.011 0.000 1.151 10 G CA -0.266 44.844 45.100 0.017 0.000 0.824 10 G HN -0.561 7.744 8.290 0.026 0.000 0.543 11 D N -0.122 120.266 120.400 -0.021 0.000 4.478 11 D HA -0.329 4.285 4.640 -0.043 0.000 0.238 11 D C -1.462 174.785 176.300 -0.088 0.000 1.056 11 D CA 0.802 54.777 54.000 -0.041 0.000 1.245 11 D CB -0.954 39.832 40.800 -0.022 0.000 0.794 11 D HN -0.587 7.775 8.370 -0.012 0.000 0.394 12 E N -4.458 115.661 120.200 -0.135 0.000 2.596 12 E HA -0.430 3.874 4.350 -0.288 -0.127 0.154 12 E C -0.603 175.770 176.600 -0.378 0.000 1.849 12 E CA 0.922 57.148 56.400 -0.291 0.000 0.629 12 E CB -1.740 27.779 29.700 -0.302 0.000 1.066 12 E HN 0.236 8.532 8.360 -0.107 0.000 0.334 13 L N -5.137 115.931 121.223 -0.259 0.000 2.249 13 L HA 0.140 4.446 4.340 -0.057 0.000 0.207 13 L C 0.053 176.698 176.870 -0.375 0.000 1.090 13 L CA 1.262 56.022 54.840 -0.133 0.000 0.802 13 L CB 1.025 43.138 42.059 0.090 0.000 0.947 13 L HN 0.126 8.244 8.230 -0.186 0.000 0.453 14 V N -2.818 116.748 119.914 -0.579 0.000 3.301 14 V HA 0.196 3.996 4.120 -0.535 0.000 0.291 14 V C -2.343 173.659 176.094 -0.154 0.000 1.549 14 V CA -2.464 59.463 62.300 -0.622 0.000 1.061 14 V CB 3.057 34.051 31.823 -1.380 0.000 1.154 14 V HN -0.427 7.517 8.190 -0.411 0.000 0.466 15 S N -0.809 115.016 115.700 0.208 0.000 2.638 15 S HA 0.256 5.055 4.470 0.445 -0.062 0.274 15 S C -1.316 173.555 174.600 0.452 0.000 1.157 15 S CA -2.140 56.302 58.200 0.403 0.000 0.826 15 S CB 1.911 65.358 63.200 0.412 0.000 1.139 15 S HN -0.052 8.407 8.310 0.249 0.000 0.474 16 D N 1.134 121.762 120.400 0.379 0.000 2.339 16 D HA 0.064 4.861 4.640 0.261 0.000 0.217 16 D C 0.878 177.231 176.300 0.087 0.000 1.050 16 D CA -0.085 54.075 54.000 0.267 0.000 0.856 16 D CB 0.591 41.556 40.800 0.275 0.000 0.922 16 D HN -0.127 8.411 8.370 0.281 0.000 0.518 17 A N -0.982 121.799 122.820 -0.065 0.000 2.084 17 A HA -0.222 4.042 4.320 -0.165 -0.044 0.221 17 A C 0.857 178.189 177.584 -0.420 0.000 1.161 17 A CA 2.310 54.157 52.037 -0.317 0.000 0.653 17 A CB -0.528 18.154 19.000 -0.530 0.000 0.802 17 A HN -0.412 7.682 8.150 0.005 0.058 0.457 18 Y N -4.947 115.401 120.300 0.079 0.000 2.284 18 Y HA 0.039 4.618 4.550 0.048 0.000 0.293 18 Y C -0.201 175.726 175.900 0.045 0.000 1.140 18 Y CA 0.737 58.872 58.100 0.059 0.000 1.153 18 Y CB 1.479 39.980 38.460 0.069 0.000 1.114 18 Y HN -0.498 7.748 8.280 0.034 0.054 0.521 19 D N -3.348 117.191 120.400 0.232 0.000 2.527 19 D HA 0.106 4.877 4.640 0.074 -0.087 0.191 19 D C -2.164 174.178 176.300 0.071 0.000 0.915 19 D CA 0.528 54.595 54.000 0.111 0.000 0.963 19 D CB 1.673 42.528 40.800 0.092 0.000 4.192 19 D HN -0.418 8.141 8.370 0.315 0.000 0.471 20 L N 0.644 121.861 121.223 -0.010 0.000 2.410 20 L HA 0.869 5.485 4.340 -0.066 -0.315 0.270 20 L C -0.548 176.201 176.870 -0.202 0.000 0.983 20 L CA -1.507 53.262 54.840 -0.119 0.000 0.822 20 L CB 3.197 45.122 42.059 -0.223 0.000 1.285 20 L HN -0.025 8.267 8.230 -0.014 -0.070 0.409 21 K N 2.479 122.764 120.400 -0.192 0.000 2.471 21 K HA 0.331 4.526 4.320 -0.210 0.000 0.252 21 K C -1.642 174.853 176.600 -0.175 0.000 0.938 21 K CA -1.144 55.035 56.287 -0.180 0.000 0.796 21 K CB 3.073 35.517 32.500 -0.094 0.000 1.161 21 K HN -0.057 8.115 8.250 -0.130 0.000 0.425 22 E N 4.375 124.453 120.200 -0.203 0.000 2.200 22 E HA 0.311 4.981 4.350 0.162 -0.223 0.283 22 E C -0.231 176.427 176.600 0.096 0.000 1.015 22 E CA -0.806 55.603 56.400 0.016 0.000 0.819 22 E CB 0.772 30.518 29.700 0.076 0.000 1.081 22 E HN 0.180 8.398 8.360 -0.236 0.000 0.397 23 V N 5.486 125.509 119.914 0.183 0.000 2.881 23 V HA -0.033 4.145 4.120 0.097 0.000 0.303 23 V C 1.162 177.339 176.094 0.139 0.000 1.070 23 V CA 0.048 62.446 62.300 0.163 0.000 1.074 23 V CB 0.438 32.427 31.823 0.278 0.000 1.012 23 V HN 0.062 8.406 8.190 0.257 0.000 0.482 24 D N 2.227 122.669 120.400 0.070 0.000 2.254 24 D HA -0.297 4.374 4.640 0.052 0.000 0.201 24 D C 0.048 176.382 176.300 0.056 0.000 0.998 24 D CA 2.463 56.490 54.000 0.044 0.000 0.885 24 D CB 0.270 41.070 40.800 -0.000 0.000 0.915 24 D HN 0.354 8.753 8.370 0.048 0.000 0.460 25 D N -2.112 118.329 120.400 0.068 0.000 1.761 25 D HA -0.262 4.384 4.640 0.011 0.000 0.299 25 D C 0.303 176.708 176.300 0.175 0.000 1.042 25 D CA 2.333 56.385 54.000 0.088 0.000 0.906 25 D CB 0.334 41.200 40.800 0.109 0.000 1.328 25 D HN 0.056 8.429 8.370 0.069 0.038 0.486 26 I N -8.466 112.269 120.570 0.276 0.000 2.677 26 I HA 0.248 4.551 4.170 0.221 0.000 0.322 26 I C -2.054 174.221 176.117 0.263 0.000 1.504 26 I CA -1.064 60.378 61.300 0.236 0.000 0.791 26 I CB 0.141 38.256 38.000 0.191 0.000 1.924 26 I HN -0.412 8.045 8.210 0.413 0.000 0.595 27 V N -3.201 116.910 119.914 0.328 0.000 3.049 27 V HA 0.539 4.901 4.120 0.240 -0.098 0.309 27 V C -2.681 173.688 176.094 0.458 0.000 1.148 27 V CA -2.571 59.912 62.300 0.305 0.000 0.990 27 V CB 3.565 35.512 31.823 0.206 0.000 1.039 27 V HN -0.724 7.687 8.190 0.368 0.000 0.430 28 Y N 1.385 121.758 120.300 0.122 0.000 2.453 28 Y HA 0.370 5.059 4.550 0.033 -0.119 0.326 28 Y C -0.587 175.393 175.900 0.134 0.000 1.186 28 Y CA -2.780 55.352 58.100 0.054 0.000 1.200 28 Y CB 3.002 41.406 38.460 -0.093 0.000 1.247 28 Y HN 0.163 8.642 8.280 0.331 0.000 0.482 29 E N 0.979 121.296 120.200 0.194 0.000 2.216 29 E HA 0.681 5.455 4.350 0.357 -0.209 0.260 29 E C -2.048 174.637 176.600 0.143 0.000 0.880 29 E CA -1.720 54.803 56.400 0.206 0.000 0.765 29 E CB 3.639 33.367 29.700 0.047 0.000 1.174 29 E HN -0.035 8.423 8.360 0.042 -0.072 0.417 30 A N 7.792 130.744 122.820 0.220 0.000 2.256 30 A HA 0.886 5.562 4.320 0.088 -0.303 0.317 30 A C -1.367 176.296 177.584 0.131 0.000 1.318 30 A CA -2.378 49.725 52.037 0.111 0.000 0.894 30 A CB 1.984 20.963 19.000 -0.035 0.000 1.165 30 A HN 0.153 8.551 8.150 0.413 0.000 0.525 31 D N 4.636 125.109 120.400 0.122 0.000 2.372 31 D HA 0.150 4.882 4.640 0.154 0.000 0.243 31 D C -0.114 176.201 176.300 0.025 0.000 1.121 31 D CA 0.659 54.727 54.000 0.113 0.000 0.898 31 D CB 2.341 43.212 40.800 0.120 0.000 1.202 31 D HN -0.424 8.019 8.370 0.123 0.000 0.428 32 C N 1.623 120.915 119.300 -0.013 0.000 2.634 32 C HA 0.372 4.842 4.460 -0.145 -0.097 0.313 32 C C -1.688 173.305 174.990 0.004 0.000 1.198 32 C CA -2.490 56.477 59.018 -0.086 0.000 1.605 32 C CB 3.928 31.573 27.740 -0.159 0.000 2.196 32 C HN 0.016 8.256 8.230 0.017 0.000 0.486 33 Q N 0.453 120.271 119.800 0.031 0.000 2.378 33 Q HA 0.217 4.594 4.340 0.061 0.000 0.276 33 Q C -1.233 174.787 176.000 0.033 0.000 1.083 33 Q CA -1.228 54.607 55.803 0.053 0.000 0.856 33 Q CB 3.290 32.073 28.738 0.074 0.000 1.383 33 Q HN 0.153 8.643 8.270 0.031 -0.201 0.458 34 M N 2.020 121.642 119.600 0.037 0.000 2.238 34 M HA 0.132 4.765 4.480 0.016 -0.144 0.350 34 M C -0.788 175.515 176.300 0.005 0.000 1.138 34 M CA -0.362 54.952 55.300 0.023 0.000 1.040 34 M CB 1.774 34.397 32.600 0.037 0.000 1.639 34 M HN 0.219 8.538 8.290 0.047 0.000 0.451 35 V N 0.765 120.667 119.914 -0.021 0.000 2.876 35 V HA 0.502 4.606 4.120 -0.027 0.000 0.312 35 V C -1.040 175.018 176.094 -0.059 0.000 1.085 35 V CA -3.312 58.961 62.300 -0.044 0.000 0.945 35 V CB 3.072 34.850 31.823 -0.075 0.000 1.017 35 V HN 0.199 8.374 8.190 -0.026 0.000 0.428 36 T N 2.215 116.738 114.554 -0.052 0.000 2.767 36 T HA 0.059 4.384 4.350 -0.042 0.000 0.288 36 T C -0.614 174.043 174.700 -0.072 0.000 0.963 36 T CA -0.954 61.117 62.100 -0.048 0.000 1.019 36 T CB 0.032 68.883 68.868 -0.028 0.000 0.923 36 T HN 0.048 8.262 8.240 -0.044 0.000 0.468 37 V N 1.479 121.345 119.914 -0.081 0.000 3.102 37 V HA 0.467 4.537 4.120 -0.084 0.000 0.312 37 V C -1.407 174.661 176.094 -0.043 0.000 1.135 37 V CA -3.208 59.036 62.300 -0.092 0.000 1.022 37 V CB 2.966 34.676 31.823 -0.189 0.000 1.056 37 V HN -0.088 8.063 8.190 -0.066 0.000 0.436 38 K N 2.188 122.572 120.400 -0.027 0.000 2.231 38 K HA 0.137 4.456 4.320 -0.001 0.000 0.275 38 K C -0.906 175.704 176.600 0.017 0.000 1.105 38 K CA -0.743 55.543 56.287 -0.003 0.000 0.931 38 K CB -0.460 32.040 32.500 -0.001 0.000 1.296 38 K HN 0.074 8.303 8.250 -0.035 0.000 0.446 39 Q N 4.010 123.827 119.800 0.029 0.000 2.256 39 Q HA 0.177 4.556 4.340 0.064 0.000 0.257 39 Q C -0.072 175.951 176.000 0.038 0.000 0.936 39 Q CA -0.742 55.093 55.803 0.052 0.000 0.903 39 Q CB 2.467 31.252 28.738 0.078 0.000 1.263 39 Q HN -0.195 8.088 8.270 0.021 0.000 0.440 40 G N -0.283 108.540 108.800 0.037 0.000 4.291 40 G HA2 0.194 4.168 3.960 0.023 0.000 0.304 40 G HA3 0.194 4.168 3.960 0.023 0.000 0.304 40 G C -0.782 174.133 174.900 0.025 0.000 1.264 40 G CA -0.476 44.640 45.100 0.026 0.000 1.039 40 G HN 0.360 8.677 8.290 0.044 0.000 0.578 41 G N 0.851 109.669 108.800 0.029 0.000 2.731 41 G HA2 -0.254 3.717 3.960 0.019 0.000 0.686 41 G HA3 -0.254 3.721 3.960 0.025 0.000 0.686 41 G C -1.907 173.006 174.900 0.022 0.000 1.395 41 G CA -0.265 44.849 45.100 0.024 0.000 0.870 41 G HN -0.446 7.798 8.290 0.036 0.068 0.591 42 D N 0.003 120.413 120.400 0.016 0.000 2.464 42 D HA -0.037 4.609 4.640 0.009 0.000 0.272 42 D C -0.670 175.631 176.300 0.002 0.000 1.224 42 D CA 0.305 54.310 54.000 0.008 0.000 1.118 42 D CB 1.591 42.393 40.800 0.003 0.000 1.710 42 D HN 0.009 8.388 8.370 0.015 0.000 0.479 43 V N 1.485 121.399 119.914 0.001 0.000 5.791 43 V HA -0.455 3.663 4.120 -0.004 0.000 0.241 43 V C -1.544 174.546 176.094 -0.006 0.000 0.700 43 V CA 1.059 63.357 62.300 -0.002 0.000 0.848 43 V CB -0.698 31.125 31.823 0.000 0.000 0.947 43 V HN -0.013 8.179 8.190 0.003 0.000 0.423 44 D N 1.615 122.008 120.400 -0.011 0.000 4.443 44 D HA -0.316 4.313 4.640 -0.018 0.000 0.302 44 D C 0.472 176.765 176.300 -0.011 0.000 2.380 44 D CA 1.903 55.895 54.000 -0.013 0.000 1.094 44 D CB 0.092 40.886 40.800 -0.010 0.000 1.105 44 D HN -0.152 8.210 8.370 -0.013 0.000 1.285 45 I N 1.006 121.570 120.570 -0.011 0.000 2.664 45 I HA -0.056 4.109 4.170 -0.008 0.000 0.291 45 I C -0.279 175.836 176.117 -0.004 0.000 1.120 45 I CA 0.160 61.456 61.300 -0.008 0.000 1.503 45 I CB -0.581 37.414 38.000 -0.008 0.000 1.506 45 I HN 0.082 8.286 8.210 -0.011 0.000 0.621 46 G N 3.159 111.957 108.800 -0.003 0.000 3.313 46 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.659 46 G HA3 -0.175 3.785 3.960 0.000 0.000 0.659 46 G C -1.581 173.318 174.900 -0.001 0.000 1.286 46 G CA -0.649 44.451 45.100 -0.001 0.000 1.077 46 G HN -0.562 7.655 8.290 -0.003 0.071 0.551 47 A N 1.697 124.517 122.820 -0.000 0.000 2.056 47 A HA 0.409 4.729 4.320 -0.000 0.000 0.230 47 A C -0.736 176.848 177.584 0.001 0.000 2.771 47 A CA 0.159 52.196 52.037 -0.000 0.000 1.995 47 A CB 0.051 19.050 19.000 -0.002 0.000 0.355 47 A HN 0.345 8.495 8.150 0.001 0.000 0.878 48 N N 0.047 118.748 118.700 0.001 0.000 2.308 48 N HA 0.280 5.021 4.740 0.002 0.000 0.283 48 N C -1.362 174.150 175.510 0.002 0.000 1.105 48 N CA -1.473 51.578 53.050 0.002 0.000 0.840 48 N CB 1.324 39.813 38.487 0.003 0.000 1.633 48 N HN -0.337 8.044 8.380 0.001 0.000 0.476 49 P HA 0.014 4.436 4.420 0.002 0.000 0.200 49 P C -0.571 176.731 177.300 0.003 0.000 1.198 49 P CA 0.188 63.289 63.100 0.002 0.000 0.892 49 P CB 0.407 32.109 31.700 0.002 0.000 0.724 50 S N -1.230 114.472 115.700 0.003 0.000 2.536 50 S HA 0.167 4.639 4.470 0.003 0.000 0.287 50 S C -1.403 173.199 174.600 0.004 0.000 1.101 50 S CA -0.358 57.844 58.200 0.003 0.000 0.950 50 S CB 0.301 63.503 63.200 0.003 0.000 1.056 50 S HN -0.061 8.250 8.310 0.003 0.000 0.481 51 A N 4.972 127.794 122.820 0.004 0.000 2.567 51 A HA 0.345 4.668 4.320 0.004 0.000 0.289 51 A C -0.947 176.640 177.584 0.005 0.000 1.177 51 A CA 0.064 52.104 52.037 0.005 0.000 0.694 51 A CB 1.204 20.207 19.000 0.005 0.000 1.292 51 A HN 0.174 8.327 8.150 0.004 0.000 0.425 52 E N -1.209 118.994 120.200 0.005 0.000 2.441 52 E HA -0.016 4.337 4.350 0.005 0.000 0.212 52 E C -0.935 175.669 176.600 0.006 0.000 0.840 52 E CA -0.443 55.960 56.400 0.005 0.000 1.143 52 E CB 0.735 30.438 29.700 0.004 0.000 1.153 52 E HN 0.036 8.399 8.360 0.005 0.000 0.539 53 D N -0.108 120.296 120.400 0.006 0.000 2.800 53 D HA -0.142 4.503 4.640 0.008 0.000 0.232 53 D C -1.205 175.099 176.300 0.007 0.000 1.137 53 D CA 0.303 54.307 54.000 0.007 0.000 0.718 53 D CB -0.444 40.361 40.800 0.008 0.000 1.084 53 D HN -0.095 8.279 8.370 0.006 0.000 0.432 54 A N -1.935 120.889 122.820 0.006 0.000 2.010 54 A HA -0.011 4.312 4.320 0.006 0.000 0.210 54 A C 0.076 177.664 177.584 0.006 0.000 1.479 54 A CA 0.846 52.886 52.037 0.005 0.000 0.748 54 A CB 0.978 19.981 19.000 0.005 0.000 1.125 54 A HN -0.259 7.885 8.150 0.006 0.010 0.522 55 E N -2.238 117.965 120.200 0.005 0.000 3.679 55 E HA -0.302 4.051 4.350 0.005 0.000 0.309 55 E C -0.055 176.548 176.600 0.005 0.000 1.318 55 E CA 2.160 58.564 56.400 0.006 0.000 1.822 55 E CB -1.078 28.626 29.700 0.006 0.000 1.689 55 E HN 0.267 8.630 8.360 0.005 0.000 0.355 56 E N -1.114 119.089 120.200 0.005 0.000 2.355 56 E HA 0.293 4.645 4.350 0.004 0.000 0.261 56 E C -1.427 175.175 176.600 0.004 0.000 0.943 56 E CA -0.835 55.568 56.400 0.004 0.000 0.806 56 E CB 1.734 31.437 29.700 0.004 0.000 1.286 56 E HN -0.094 8.269 8.360 0.005 0.000 0.424 57 N N -0.816 117.886 118.700 0.003 0.000 2.234 57 N HA 0.065 4.807 4.740 0.003 0.000 0.227 57 N C -0.567 174.944 175.510 0.003 0.000 1.151 57 N CA 0.310 53.362 53.050 0.003 0.000 0.865 57 N CB 0.159 38.647 38.487 0.003 0.000 1.066 57 N HN 0.326 8.708 8.380 0.003 0.000 0.515 58 A N -1.974 120.847 122.820 0.003 0.000 2.609 58 A HA 0.239 4.561 4.320 0.002 0.000 0.286 58 A C -1.394 176.192 177.584 0.003 0.000 1.138 58 A CA 0.226 52.265 52.037 0.003 0.000 0.960 58 A CB 0.222 19.223 19.000 0.002 0.000 1.208 58 A HN -0.198 7.883 8.150 0.003 0.071 0.541 59 E N -0.872 119.330 120.200 0.003 0.000 3.287 59 E HA -0.026 4.326 4.350 0.003 0.000 0.355 59 E C -0.534 176.069 176.600 0.005 0.000 1.027 59 E CA 0.208 56.611 56.400 0.004 0.000 0.840 59 E CB 1.370 31.072 29.700 0.004 0.000 1.273 59 E HN -0.543 7.762 8.360 0.004 0.057 0.458 60 E N 5.655 125.857 120.200 0.005 0.000 2.005 60 E HA -0.101 4.253 4.350 0.006 0.000 0.191 60 E C 0.581 177.186 176.600 0.008 0.000 0.987 60 E CA 1.021 57.425 56.400 0.006 0.000 0.814 60 E CB 0.679 30.383 29.700 0.006 0.000 0.772 60 E HN 0.436 8.798 8.360 0.004 0.000 0.453 61 G N -1.685 107.120 108.800 0.008 0.000 3.813 61 G HA2 -0.041 3.927 3.960 0.013 0.000 0.234 61 G HA3 -0.041 3.926 3.960 0.011 0.000 0.234 61 G C -2.162 172.745 174.900 0.011 0.000 3.831 61 G CA -0.527 44.579 45.100 0.011 0.000 0.585 61 G HN -0.406 7.888 8.290 0.007 0.000 0.267 62 T N -0.025 114.534 114.554 0.007 0.000 2.779 62 T HA 0.289 4.791 4.350 0.002 -0.151 0.296 62 T C 0.009 174.713 174.700 0.006 0.000 0.938 62 T CA -1.326 60.776 62.100 0.003 0.000 1.119 62 T CB 0.424 69.290 68.868 -0.002 0.000 0.891 62 T HN -0.370 7.874 8.240 0.006 0.000 0.526 63 E N 5.973 126.178 120.200 0.008 0.000 2.246 63 E HA 0.322 4.681 4.350 0.014 0.000 0.266 63 E C -0.792 175.812 176.600 0.007 0.000 0.880 63 E CA -1.569 54.840 56.400 0.015 0.000 0.762 63 E CB 2.101 31.818 29.700 0.029 0.000 1.180 63 E HN -0.155 8.207 8.360 0.004 0.000 0.416 64 T N 5.390 119.949 114.554 0.009 0.000 2.869 64 T HA 0.605 5.197 4.350 -0.021 -0.254 0.295 64 T C -0.383 174.327 174.700 0.018 0.000 0.987 64 T CA -0.469 61.631 62.100 0.001 0.000 1.109 64 T CB 0.618 69.491 68.868 0.008 0.000 0.932 64 T HN 0.200 8.449 8.240 0.014 0.000 0.518 65 V N 2.848 122.767 119.914 0.007 0.000 3.114 65 V HA 0.391 4.544 4.120 0.054 0.000 0.308 65 V C -2.275 173.836 176.094 0.029 0.000 1.168 65 V CA -3.317 59.010 62.300 0.045 0.000 1.015 65 V CB 3.424 35.312 31.823 0.108 0.000 1.050 65 V HN -0.111 8.063 8.190 -0.027 0.000 0.433 66 N N 1.197 119.920 118.700 0.038 0.000 2.416 66 N HA 0.066 5.020 4.740 -0.005 -0.217 0.246 66 N C 1.235 176.756 175.510 0.018 0.000 1.260 66 N CA 1.503 54.556 53.050 0.004 0.000 0.897 66 N CB 1.019 39.485 38.487 -0.034 0.000 1.110 66 N HN 0.227 8.638 8.380 0.051 0.000 0.439 67 N N 1.391 120.086 118.700 -0.008 0.000 2.424 67 N HA -0.092 4.677 4.740 0.049 0.000 0.178 67 N C 1.025 176.516 175.510 -0.032 0.000 1.060 67 N CA 2.155 55.228 53.050 0.039 0.000 0.901 67 N CB -0.076 38.494 38.487 0.139 0.000 0.979 67 N HN -0.003 8.361 8.380 -0.026 0.000 0.451 68 L N 0.227 121.323 121.223 -0.212 0.000 2.127 68 L HA -0.059 4.051 4.340 -0.384 0.000 0.203 68 L C 1.664 178.517 176.870 -0.029 0.000 1.080 68 L CA 3.073 57.743 54.840 -0.283 0.000 0.768 68 L CB 0.222 42.054 42.059 -0.378 0.000 0.924 68 L HN -0.229 7.845 8.230 -0.198 0.037 0.444 69 V N -1.539 118.374 119.914 -0.002 0.000 2.453 69 V HA -0.404 3.825 4.120 0.105 -0.046 0.247 69 V C 1.923 178.055 176.094 0.064 0.000 1.048 69 V CA 3.567 65.905 62.300 0.063 0.000 1.049 69 V CB -0.344 31.513 31.823 0.057 0.000 0.672 69 V HN -0.580 7.585 8.190 -0.041 0.000 0.457 70 Y N 0.745 121.014 120.300 -0.051 0.000 2.200 70 Y HA -0.367 4.172 4.550 -0.019 0.000 0.290 70 Y C 1.661 177.499 175.900 -0.103 0.000 1.137 70 Y CA 3.685 61.755 58.100 -0.050 0.000 1.163 70 Y CB 0.095 38.529 38.460 -0.044 0.000 0.988 70 Y HN -0.546 7.831 8.280 0.160 0.000 0.518 71 S N -0.360 115.317 115.700 -0.038 0.000 2.428 71 S HA -0.178 4.224 4.470 -0.114 0.000 0.230 71 S C 0.430 174.759 174.600 -0.452 0.000 1.014 71 S CA 3.097 61.109 58.200 -0.313 0.000 0.957 71 S CB 0.354 63.213 63.200 -0.569 0.000 0.784 71 S HN -0.508 7.795 8.310 -0.013 0.000 0.499 72 F N -2.185 117.794 119.950 0.047 0.000 2.668 72 F HA 0.333 4.869 4.527 0.014 0.000 0.301 72 F C -1.655 174.136 175.800 -0.015 0.000 1.106 72 F CA -1.437 56.574 58.000 0.018 0.000 1.289 72 F CB 0.086 39.107 39.000 0.035 0.000 1.006 72 F HN -0.577 7.492 8.300 -0.201 0.110 0.535 73 R N -2.692 117.837 120.500 0.048 0.000 3.358 73 R HA -0.505 3.837 4.340 -0.071 -0.044 0.248 73 R C -0.832 175.508 176.300 0.065 0.000 0.981 73 R CA 0.301 56.398 56.100 -0.006 0.000 0.662 73 R CB -3.609 26.669 30.300 -0.038 0.000 1.037 73 R HN -0.750 7.302 8.270 -0.051 0.187 0.460 74 L N -1.023 120.272 121.223 0.120 0.000 2.573 74 L HA -0.315 4.109 4.340 0.141 0.000 0.290 74 L C 0.036 176.995 176.870 0.149 0.000 1.247 74 L CA 1.341 56.274 54.840 0.155 0.000 0.876 74 L CB 0.218 42.365 42.059 0.147 0.000 1.123 74 L HN -0.382 7.808 8.230 0.130 0.118 0.505 75 S N 4.192 119.957 115.700 0.110 0.000 2.733 75 S HA 0.477 4.940 4.470 -0.011 0.000 0.307 75 S C -2.311 172.165 174.600 -0.207 0.000 1.127 75 S CA -2.619 55.567 58.200 -0.025 0.000 1.097 75 S CB 1.854 65.018 63.200 -0.059 0.000 1.003 75 S HN 0.154 8.530 8.310 0.110 0.000 0.477 76 P HA 0.269 3.938 4.420 -1.251 0.000 0.281 76 P C -0.833 176.159 177.300 -0.514 0.000 1.252 76 P CA -0.502 62.044 63.100 -0.923 0.000 0.778 76 P CB 0.752 31.734 31.700 -1.197 0.000 0.895 77 T N 3.828 118.064 114.554 -0.529 0.000 2.924 77 T HA 0.321 4.559 4.350 -0.187 0.000 0.291 77 T C -0.923 173.735 174.700 -0.070 0.000 1.045 77 T CA -2.225 59.716 62.100 -0.266 0.000 1.015 77 T CB 1.619 70.330 68.868 -0.262 0.000 1.103 77 T HN -0.242 7.541 8.240 -0.762 0.000 0.496 78 S N 3.044 118.784 115.700 0.066 0.000 2.614 78 S HA 0.357 5.013 4.470 0.310 0.000 0.265 78 S C -1.280 173.581 174.600 0.435 0.000 1.303 78 S CA -0.222 58.115 58.200 0.230 0.000 1.000 78 S CB 0.698 63.961 63.200 0.105 0.000 0.935 78 S HN -0.109 8.214 8.310 0.021 0.000 0.551 79 F N -3.625 116.432 119.950 0.179 0.000 2.789 79 F HA 0.228 4.897 4.527 0.236 0.000 0.319 79 F C -2.650 173.224 175.800 0.123 0.000 1.168 79 F CA -1.358 56.776 58.000 0.223 0.000 0.934 79 F CB 1.355 40.556 39.000 0.336 0.000 1.375 79 F HN -0.380 8.111 8.300 0.318 0.000 0.480 80 D N 0.134 120.446 120.400 -0.147 0.000 2.433 80 D HA 0.293 4.624 4.640 -0.514 0.000 0.236 80 D C 0.272 176.391 176.300 -0.302 0.000 1.026 80 D CA -0.955 52.842 54.000 -0.337 0.000 0.884 80 D CB 3.262 43.987 40.800 -0.125 0.000 1.384 80 D HN 0.009 8.544 8.370 0.274 0.000 0.477 81 K N 2.016 122.180 120.400 -0.392 0.000 2.002 81 K HA -0.303 3.646 4.320 -0.618 0.000 0.209 81 K C 1.764 178.243 176.600 -0.202 0.000 1.048 81 K CA 3.677 59.713 56.287 -0.418 0.000 0.930 81 K CB 0.111 32.380 32.500 -0.384 0.000 0.714 81 K HN 0.517 8.539 8.250 -0.380 0.000 0.438 82 K N -1.100 119.215 120.400 -0.142 0.000 2.155 82 K HA -0.161 4.111 4.320 -0.080 0.000 0.203 82 K C 2.244 178.782 176.600 -0.103 0.000 1.052 82 K CA 2.844 59.074 56.287 -0.096 0.000 0.948 82 K CB -0.510 31.938 32.500 -0.087 0.000 0.728 82 K HN 0.192 8.350 8.250 -0.152 0.000 0.448 83 S N 0.258 115.893 115.700 -0.108 0.000 2.423 83 S HA -0.215 4.045 4.470 -0.349 0.000 0.231 83 S C 1.269 175.720 174.600 -0.247 0.000 1.014 83 S CA 3.439 61.502 58.200 -0.229 0.000 0.965 83 S CB -0.516 62.630 63.200 -0.090 0.000 0.785 83 S HN -0.116 8.044 8.310 -0.094 0.094 0.495 84 Y N 2.293 122.547 120.300 -0.077 0.000 2.242 84 Y HA -0.359 4.242 4.550 0.085 0.000 0.291 84 Y C 1.160 177.003 175.900 -0.095 0.000 1.137 84 Y CA 3.682 61.774 58.100 -0.013 0.000 1.181 84 Y CB 0.083 38.556 38.460 0.021 0.000 0.989 84 Y HN -0.215 8.049 8.280 0.176 0.122 0.527 85 M N -2.358 117.331 119.600 0.149 0.000 2.159 85 M HA -0.464 4.134 4.480 0.197 0.000 0.263 85 M C 2.415 178.684 176.300 -0.052 0.000 1.063 85 M CA 4.015 59.365 55.300 0.084 0.000 1.110 85 M CB -0.455 32.163 32.600 0.030 0.000 1.374 85 M HN -0.673 7.576 8.290 0.101 0.102 0.411 86 S N -0.043 115.545 115.700 -0.187 0.000 2.406 86 S HA -0.261 4.134 4.470 -0.124 0.000 0.228 86 S C 2.465 176.946 174.600 -0.199 0.000 1.020 86 S CA 3.257 61.318 58.200 -0.233 0.000 0.965 86 S CB 0.006 62.985 63.200 -0.367 0.000 0.798 86 S HN -0.610 7.554 8.310 -0.228 0.009 0.488 87 Y N 0.797 121.014 120.300 -0.139 0.000 2.286 87 Y HA -0.124 4.369 4.550 -0.095 0.000 0.293 87 Y C 2.587 178.379 175.900 -0.179 0.000 1.124 87 Y CA 1.409 59.393 58.100 -0.195 0.000 1.178 87 Y CB -0.255 37.971 38.460 -0.390 0.000 1.010 87 Y HN -0.551 7.356 8.280 -0.445 0.106 0.536 88 I N -0.845 119.658 120.570 -0.111 0.000 2.617 88 I HA -0.392 3.737 4.170 -0.069 0.000 0.256 88 I C 1.061 177.220 176.117 0.070 0.000 1.167 88 I CA 1.211 62.474 61.300 -0.061 0.000 1.469 88 I CB -0.236 37.727 38.000 -0.062 0.000 1.098 88 I HN 0.109 8.200 8.210 -0.198 0.000 0.436 89 K N 0.409 120.838 120.400 0.049 0.000 2.005 89 K HA -0.155 4.199 4.320 0.057 0.000 0.206 89 K C 2.490 179.133 176.600 0.071 0.000 1.044 89 K CA 3.898 60.216 56.287 0.053 0.000 0.942 89 K CB -0.335 32.177 32.500 0.020 0.000 0.727 89 K HN -0.171 8.062 8.250 0.013 0.025 0.439 90 G N -2.916 105.928 108.800 0.073 0.000 2.471 90 G HA2 -0.189 3.817 3.960 0.077 0.000 0.219 90 G HA3 -0.189 3.795 3.960 0.041 0.000 0.219 90 G C 0.951 175.909 174.900 0.097 0.000 1.125 90 G CA 1.856 46.999 45.100 0.072 0.000 0.775 90 G HN -0.384 7.941 8.290 0.058 0.000 0.548 91 Y N 2.575 122.891 120.300 0.026 0.000 2.269 91 Y HA -0.038 4.529 4.550 0.029 0.000 0.294 91 Y C 1.007 176.931 175.900 0.040 0.000 1.120 91 Y CA 2.426 60.543 58.100 0.029 0.000 1.159 91 Y CB 0.685 39.158 38.460 0.023 0.000 1.024 91 Y HN -0.626 7.766 8.280 0.245 0.035 0.532 92 M N -0.640 119.092 119.600 0.220 0.000 2.117 92 M HA -0.505 4.167 4.480 0.318 0.000 0.262 92 M C 2.063 178.407 176.300 0.073 0.000 1.065 92 M CA 4.066 59.491 55.300 0.209 0.000 1.114 92 M CB -0.153 32.564 32.600 0.195 0.000 1.361 92 M HN -0.329 8.014 8.290 0.263 0.105 0.408 93 K N -1.728 118.687 120.400 0.026 0.000 2.097 93 K HA -0.298 4.030 4.320 0.013 0.000 0.205 93 K C 1.793 178.335 176.600 -0.097 0.000 1.050 93 K CA 2.976 59.255 56.287 -0.014 0.000 0.938 93 K CB -0.690 31.808 32.500 -0.003 0.000 0.718 93 K HN -0.272 8.001 8.250 0.047 0.005 0.442 94 A N 0.066 122.792 122.820 -0.158 0.000 1.883 94 A HA -0.256 3.974 4.320 -0.150 0.000 0.217 94 A C 2.282 179.691 177.584 -0.293 0.000 1.186 94 A CA 3.081 54.985 52.037 -0.221 0.000 0.624 94 A CB -0.869 17.957 19.000 -0.290 0.000 0.822 94 A HN -0.565 7.410 8.150 -0.137 0.092 0.444 95 I N -2.479 117.840 120.570 -0.417 0.000 2.226 95 I HA -0.498 3.408 4.170 -0.439 0.000 0.245 95 I C 1.876 177.724 176.117 -0.448 0.000 1.100 95 I CA 2.224 63.221 61.300 -0.506 0.000 1.374 95 I CB -1.393 36.165 38.000 -0.736 0.000 1.057 95 I HN -0.428 7.503 8.210 -0.464 0.000 0.413 96 K N -1.067 119.146 120.400 -0.312 0.000 2.113 96 K HA -0.487 3.703 4.320 -0.217 0.000 0.208 96 K C 2.646 179.155 176.600 -0.151 0.000 1.047 96 K CA 4.054 60.232 56.287 -0.181 0.000 0.928 96 K CB -0.487 31.989 32.500 -0.040 0.000 0.716 96 K HN -0.216 7.819 8.250 -0.228 0.077 0.446 97 A N -1.897 120.837 122.820 -0.143 0.000 1.929 97 A HA -0.169 4.102 4.320 -0.083 0.000 0.216 97 A C 1.667 179.177 177.584 -0.123 0.000 1.176 97 A CA 2.900 54.872 52.037 -0.108 0.000 0.628 97 A CB -0.363 18.582 19.000 -0.093 0.000 0.816 97 A HN -0.293 7.658 8.150 -0.156 0.105 0.444 98 R N -1.191 119.210 120.500 -0.165 0.000 2.127 98 R HA -0.262 4.009 4.340 -0.115 0.000 0.238 98 R C 2.299 178.515 176.300 -0.141 0.000 1.134 98 R CA 2.571 58.580 56.100 -0.151 0.000 0.975 98 R CB -0.909 29.279 30.300 -0.186 0.000 0.865 98 R HN -0.566 7.497 8.270 -0.202 0.085 0.447 99 L N -1.964 119.155 121.223 -0.172 0.000 2.044 99 L HA -0.214 4.054 4.340 -0.120 0.000 0.205 99 L C 2.074 178.895 176.870 -0.082 0.000 1.075 99 L CA 2.528 57.288 54.840 -0.133 0.000 0.747 99 L CB -0.655 41.310 42.059 -0.157 0.000 0.903 99 L HN -0.197 7.884 8.230 -0.217 0.019 0.435 100 Q N -1.886 117.868 119.800 -0.076 0.000 2.135 100 Q HA -0.262 4.055 4.340 -0.038 0.000 0.204 100 Q C 1.643 177.616 176.000 -0.044 0.000 0.981 100 Q CA 2.408 58.181 55.803 -0.049 0.000 0.856 100 Q CB 0.299 29.010 28.738 -0.045 0.000 0.902 100 Q HN -0.511 7.703 8.270 -0.093 0.000 0.425 101 E N -2.628 117.540 120.200 -0.053 0.000 2.158 101 E HA -0.110 4.218 4.350 -0.035 0.000 0.191 101 E C 0.694 177.270 176.600 -0.040 0.000 0.982 101 E CA 2.036 58.410 56.400 -0.044 0.000 0.823 101 E CB 0.449 30.120 29.700 -0.048 0.000 0.766 101 E HN -0.378 7.929 8.360 -0.067 0.013 0.468 102 S N -1.559 114.112 115.700 -0.048 0.000 2.826 102 S HA -0.044 4.407 4.470 -0.031 0.000 0.193 102 S C -0.489 174.091 174.600 -0.033 0.000 0.838 102 S CA 0.480 58.656 58.200 -0.039 0.000 0.844 102 S CB 0.942 64.113 63.200 -0.047 0.000 0.816 102 S HN -0.311 7.864 8.310 -0.061 0.099 0.626 103 N N 0.414 119.091 118.700 -0.039 0.000 2.518 103 N HA 0.437 5.167 4.740 -0.017 0.000 0.254 103 N C -1.311 174.182 175.510 -0.028 0.000 0.979 103 N CA -3.269 49.766 53.050 -0.025 0.000 0.930 103 N CB 1.420 39.896 38.487 -0.018 0.000 1.152 103 N HN -0.110 8.237 8.380 -0.054 0.000 0.505 104 P HA 0.077 4.482 4.420 -0.024 0.000 0.229 104 P C 0.246 177.546 177.300 0.000 0.000 1.160 104 P CA 1.143 64.234 63.100 -0.014 0.000 0.777 104 P CB 0.396 32.090 31.700 -0.011 0.000 0.814 105 E N -1.624 118.579 120.200 0.005 0.000 2.418 105 E HA -0.155 4.206 4.350 0.019 0.000 0.197 105 E C 0.998 177.617 176.600 0.031 0.000 1.026 105 E CA 1.995 58.406 56.400 0.018 0.000 0.862 105 E CB -0.858 28.852 29.700 0.017 0.000 0.799 105 E HN -0.278 8.179 8.360 0.001 -0.097 0.518 106 R N -1.954 118.562 120.500 0.026 0.000 2.317 106 R HA 0.008 4.394 4.340 0.077 0.000 0.208 106 R C 1.737 178.088 176.300 0.086 0.000 0.914 106 R CA 0.641 56.773 56.100 0.054 0.000 1.060 106 R CB 0.026 30.337 30.300 0.019 0.000 1.015 106 R HN -0.722 7.377 8.270 0.007 0.174 0.498 107 V N 1.508 121.456 119.914 0.055 0.000 2.379 107 V HA -0.228 3.939 4.120 0.078 0.000 0.245 107 V C -0.314 175.863 176.094 0.138 0.000 1.044 107 V CA 5.276 67.625 62.300 0.081 0.000 1.036 107 V CB -2.424 29.418 31.823 0.033 0.000 0.664 107 V HN -0.444 7.581 8.190 0.031 0.184 0.453 108 P HA 0.007 4.467 4.420 0.066 0.000 0.215 108 P C 1.221 178.567 177.300 0.077 0.000 1.160 108 P CA 2.995 66.138 63.100 0.072 0.000 0.869 108 P CB -0.670 31.057 31.700 0.044 0.000 0.782 109 V N -3.827 116.137 119.914 0.084 0.000 2.392 109 V HA -0.335 3.810 4.120 0.041 0.000 0.249 109 V C 1.676 177.826 176.094 0.094 0.000 1.059 109 V CA 2.430 64.775 62.300 0.074 0.000 1.051 109 V CB -1.649 30.222 31.823 0.080 0.000 0.658 109 V HN -0.585 7.654 8.190 0.082 0.000 0.455 110 F N 1.364 121.318 119.950 0.007 0.000 2.186 110 F HA -0.297 4.239 4.527 0.016 0.000 0.299 110 F C 1.312 177.111 175.800 -0.001 0.000 1.090 110 F CA 3.715 61.718 58.000 0.005 0.000 1.307 110 F CB 0.455 39.452 39.000 -0.006 0.000 1.019 110 F HN -0.549 7.904 8.300 0.274 0.011 0.489 111 E N 0.745 120.950 120.200 0.009 0.000 2.047 111 E HA -0.372 3.855 4.350 -0.205 0.000 0.191 111 E C 2.356 178.863 176.600 -0.154 0.000 0.987 111 E CA 3.339 59.682 56.400 -0.095 0.000 0.799 111 E CB -0.122 29.607 29.700 0.049 0.000 0.752 111 E HN -0.573 7.814 8.360 0.189 0.087 0.449 112 K N -1.124 119.225 120.400 -0.085 0.000 2.025 112 K HA -0.305 3.974 4.320 -0.068 0.000 0.207 112 K C 2.515 179.048 176.600 -0.111 0.000 1.049 112 K CA 3.542 59.783 56.287 -0.077 0.000 0.933 112 K CB -0.050 32.426 32.500 -0.040 0.000 0.714 112 K HN -0.227 8.001 8.250 -0.038 0.000 0.438 113 N N -0.919 117.709 118.700 -0.121 0.000 2.084 113 N HA -0.287 4.395 4.740 -0.097 0.000 0.190 113 N C 1.900 177.320 175.510 -0.149 0.000 1.030 113 N CA 3.229 56.212 53.050 -0.112 0.000 0.849 113 N CB -0.514 37.938 38.487 -0.058 0.000 1.012 113 N HN -0.453 7.867 8.380 -0.101 0.000 0.423 114 A N -0.476 122.142 122.820 -0.336 0.000 1.972 114 A HA -0.287 3.888 4.320 -0.241 0.000 0.219 114 A C 1.762 179.213 177.584 -0.222 0.000 1.169 114 A CA 2.854 54.649 52.037 -0.404 0.000 0.635 114 A CB -0.440 17.964 19.000 -0.993 0.000 0.810 114 A HN -0.222 7.649 8.150 -0.465 0.000 0.446 115 I N -1.530 118.924 120.570 -0.193 0.000 2.315 115 I HA -0.489 3.627 4.170 -0.089 0.000 0.248 115 I C 1.761 177.845 176.117 -0.055 0.000 1.117 115 I CA 3.996 65.236 61.300 -0.101 0.000 1.404 115 I CB 0.056 38.005 38.000 -0.084 0.000 1.071 115 I HN -0.216 7.751 8.210 -0.231 0.105 0.419 116 G N -0.359 108.400 108.800 -0.069 0.000 2.404 116 G HA2 -0.318 3.572 3.960 -0.117 0.000 0.215 116 G HA3 -0.318 3.608 3.960 -0.057 0.000 0.215 116 G C 1.189 176.070 174.900 -0.032 0.000 1.174 116 G CA 2.091 47.147 45.100 -0.073 0.000 0.780 116 G HN -0.416 7.818 8.290 -0.093 0.000 0.537 117 F N 2.353 122.250 119.950 -0.089 0.000 2.134 117 F HA -0.255 4.242 4.527 -0.051 0.000 0.299 117 F C 2.004 177.749 175.800 -0.091 0.000 1.097 117 F CA 2.148 60.099 58.000 -0.081 0.000 1.264 117 F CB 0.117 39.060 39.000 -0.094 0.000 1.001 117 F HN -0.448 7.880 8.300 0.048 0.000 0.479 118 V N -1.094 118.893 119.914 0.122 0.000 2.407 118 V HA -0.528 3.619 4.120 0.045 0.000 0.248 118 V C 1.874 178.002 176.094 0.058 0.000 1.055 118 V CA 4.006 66.338 62.300 0.054 0.000 1.049 118 V CB -0.638 31.195 31.823 0.017 0.000 0.662 118 V HN -0.076 8.161 8.190 0.079 0.000 0.455 119 K N -0.313 120.115 120.400 0.048 0.000 2.097 119 K HA -0.294 4.049 4.320 0.039 0.000 0.205 119 K C 2.373 179.002 176.600 0.049 0.000 1.050 119 K CA 2.960 59.270 56.287 0.037 0.000 0.938 119 K CB -0.344 32.165 32.500 0.014 0.000 0.718 119 K HN -0.550 7.617 8.250 0.039 0.106 0.442 120 K N -1.760 118.684 120.400 0.072 0.000 2.366 120 K HA -0.192 4.171 4.320 0.070 0.000 0.198 120 K C 2.041 178.708 176.600 0.111 0.000 1.044 120 K CA 2.497 58.842 56.287 0.097 0.000 0.973 120 K CB -0.126 32.448 32.500 0.123 0.000 0.767 120 K HN -0.663 7.552 8.250 0.084 0.086 0.475 121 I N -0.946 119.658 120.570 0.056 0.000 2.480 121 I HA -0.280 3.829 4.170 -0.101 0.000 0.251 121 I C 1.258 177.375 176.117 -0.000 0.000 1.124 121 I CA 1.822 63.083 61.300 -0.064 0.000 1.444 121 I CB 0.675 38.566 38.000 -0.182 0.000 1.098 121 I HN -0.468 7.629 8.210 0.073 0.157 0.428 122 L N -0.994 120.247 121.223 0.030 0.000 2.131 122 L HA -0.385 4.151 4.340 0.326 0.000 0.210 122 L C 2.148 179.012 176.870 -0.010 0.000 1.092 122 L CA 3.031 57.955 54.840 0.139 0.000 0.759 122 L CB -0.903 41.237 42.059 0.135 0.000 0.903 122 L HN -0.370 7.879 8.230 0.032 0.000 0.435 123 A N -1.637 121.165 122.820 -0.029 0.000 2.032 123 A HA -0.247 4.025 4.320 -0.079 0.000 0.221 123 A C 0.276 177.719 177.584 -0.234 0.000 1.165 123 A CA 2.368 54.353 52.037 -0.086 0.000 0.645 123 A CB -0.210 18.784 19.000 -0.009 0.000 0.807 123 A HN -0.278 7.864 8.150 0.020 0.020 0.453 124 N N -3.536 115.015 118.700 -0.249 0.000 2.620 124 N HA 0.186 4.586 4.740 -0.567 0.000 0.277 124 N C -1.312 174.069 175.510 -0.215 0.000 1.726 124 N CA -0.135 52.719 53.050 -0.327 0.000 0.840 124 N CB 0.861 39.293 38.487 -0.092 0.000 1.379 124 N HN -0.531 7.631 8.380 -0.109 0.152 0.506 125 F N -1.057 118.934 119.950 0.069 0.000 2.307 125 F HA -0.264 4.281 4.527 -0.027 -0.033 0.301 125 F C 0.699 176.581 175.800 0.136 0.000 1.076 125 F CA 1.898 59.889 58.000 -0.015 0.000 1.383 125 F CB -0.755 38.088 39.000 -0.261 0.000 1.055 125 F HN -0.758 6.686 8.300 -1.427 0.000 0.526 126 K N -0.756 119.856 120.400 0.354 0.000 2.076 126 K HA -0.283 4.461 4.320 0.707 0.000 0.204 126 K C 2.425 179.143 176.600 0.198 0.000 1.051 126 K CA 3.027 59.576 56.287 0.438 0.000 0.949 126 K CB -0.846 31.837 32.500 0.304 0.000 0.726 126 K HN -0.332 7.692 8.250 -0.306 0.042 0.443 127 D N 0.100 120.532 120.400 0.053 0.000 2.219 127 D HA -0.180 4.453 4.640 -0.011 0.000 0.205 127 D C 1.465 177.704 176.300 -0.101 0.000 0.970 127 D CA 2.376 56.350 54.000 -0.044 0.000 0.851 127 D CB -0.508 40.211 40.800 -0.135 0.000 0.943 127 D HN -0.541 7.819 8.370 -0.016 0.000 0.488 128 Y N -3.357 116.952 120.300 0.015 0.000 2.523 128 Y HA -0.101 4.542 4.550 -0.052 -0.124 0.279 128 Y C -1.168 174.745 175.900 0.022 0.000 1.139 128 Y CA 1.468 59.562 58.100 -0.009 0.000 1.296 128 Y CB 0.405 38.862 38.460 -0.005 0.000 1.045 128 Y HN -0.753 7.527 8.280 0.208 0.125 0.538 129 D N -2.467 118.045 120.400 0.187 0.000 7.980 129 D HA -0.389 4.350 4.640 0.164 0.000 0.340 129 D C -1.590 174.787 176.300 0.127 0.000 2.772 129 D CA 2.280 56.366 54.000 0.143 0.000 1.761 129 D CB 0.133 41.020 40.800 0.146 0.000 1.180 129 D HN -0.602 7.697 8.370 0.199 0.190 1.248 130 F N -0.388 119.469 119.950 -0.156 0.000 2.562 130 F HA 0.405 4.869 4.527 -0.105 0.000 0.319 130 F C -2.722 172.974 175.800 -0.174 0.000 1.154 130 F CA -1.653 56.238 58.000 -0.183 0.000 0.931 130 F CB 2.755 41.529 39.000 -0.376 0.000 1.198 130 F HN 0.169 8.474 8.300 0.008 0.000 0.444 131 Y N 6.506 126.527 120.300 -0.465 0.000 2.545 131 Y HA 0.660 4.876 4.550 -0.557 0.000 0.324 131 Y C -1.361 174.034 175.900 -0.841 0.000 1.220 131 Y CA -0.854 56.888 58.100 -0.596 0.000 1.290 131 Y CB 3.771 42.043 38.460 -0.314 0.000 1.355 131 Y HN 0.118 8.540 8.280 0.236 0.000 0.516 132 I N -3.132 117.210 120.570 -0.380 0.000 2.787 132 I HA 0.251 4.295 4.170 -0.210 0.000 0.294 132 I C -2.135 173.917 176.117 -0.109 0.000 1.365 132 I CA -1.295 59.829 61.300 -0.294 0.000 1.029 132 I CB 4.520 42.270 38.000 -0.418 0.000 1.313 132 I HN 0.007 8.097 8.210 -0.200 0.000 0.431 133 G N 3.089 111.857 108.800 -0.055 0.000 2.588 133 G HA2 0.073 4.030 3.960 -0.005 0.000 0.278 133 G HA3 0.073 4.040 3.960 0.011 0.000 0.278 133 G C 0.258 175.143 174.900 -0.025 0.000 1.307 133 G CA -0.880 44.212 45.100 -0.014 0.000 1.016 133 G HN 0.361 8.620 8.290 -0.052 0.000 0.503 134 E N -1.076 119.119 120.200 -0.008 0.000 2.333 134 E HA -0.354 3.983 4.350 -0.022 0.000 0.198 134 E C 1.384 177.975 176.600 -0.016 0.000 1.007 134 E CA 2.921 59.313 56.400 -0.014 0.000 0.845 134 E CB -0.466 29.231 29.700 -0.004 0.000 0.766 134 E HN 0.554 8.918 8.360 0.006 0.000 0.507 135 S N -1.537 114.155 115.700 -0.013 0.000 2.400 135 S HA -0.253 4.213 4.470 -0.007 0.000 0.232 135 S C 0.504 175.095 174.600 -0.015 0.000 1.025 135 S CA 1.816 60.010 58.200 -0.010 0.000 0.993 135 S CB 0.127 63.325 63.200 -0.003 0.000 0.808 135 S HN -0.172 8.084 8.310 -0.010 0.047 0.478 136 M N -1.776 117.808 119.600 -0.028 0.000 2.347 136 M HA -0.369 4.078 4.480 -0.055 0.000 0.198 136 M C -1.402 174.883 176.300 -0.025 0.000 0.549 136 M CA 0.825 56.104 55.300 -0.035 0.000 0.481 136 M CB -2.548 30.036 32.600 -0.026 0.000 1.393 136 M HN -0.550 7.702 8.290 -0.034 0.019 0.905 137 D N 0.458 120.845 120.400 -0.022 0.000 2.593 137 D HA 0.409 5.038 4.640 -0.019 0.000 0.251 137 D C -0.988 175.288 176.300 -0.039 0.000 1.140 137 D CA -2.439 51.551 54.000 -0.017 0.000 0.855 137 D CB 2.231 43.036 40.800 0.007 0.000 1.267 137 D HN -0.473 7.883 8.370 -0.024 0.000 0.532 138 P HA 0.089 4.367 4.420 -0.236 0.000 0.242 138 P C -1.164 175.976 177.300 -0.266 0.000 1.197 138 P CA 0.547 63.427 63.100 -0.367 0.000 0.765 138 P CB 0.612 31.814 31.700 -0.830 0.000 0.936 139 D N -4.506 115.873 120.400 -0.034 0.000 2.513 139 D HA 0.080 4.842 4.640 0.204 0.000 0.222 139 D C -0.580 175.869 176.300 0.247 0.000 1.210 139 D CA -0.859 53.227 54.000 0.144 0.000 0.825 139 D CB 0.977 41.855 40.800 0.130 0.000 1.037 139 D HN -0.208 8.050 8.370 -0.019 0.100 0.506 140 A N -2.090 120.816 122.820 0.143 0.000 2.951 140 A HA 0.204 4.655 4.320 0.218 0.000 0.239 140 A C -1.216 176.475 177.584 0.178 0.000 1.623 140 A CA -0.751 51.389 52.037 0.171 0.000 0.868 140 A CB 1.495 20.541 19.000 0.077 0.000 1.712 140 A HN -0.580 7.451 8.150 0.059 0.154 0.558 141 M N 0.779 120.451 119.600 0.119 0.000 2.303 141 M HA -0.189 4.355 4.480 0.106 0.000 0.350 141 M C -0.651 175.580 176.300 -0.114 0.000 1.518 141 M CA 0.583 55.904 55.300 0.035 0.000 1.070 141 M CB -0.529 32.097 32.600 0.043 0.000 1.910 141 M HN -0.056 8.295 8.290 0.101 0.000 0.458 142 V N 7.041 126.770 119.914 -0.309 0.000 2.370 142 V HA 0.024 4.150 4.120 0.010 0.000 0.283 142 V C -1.204 174.531 176.094 -0.598 0.000 1.023 142 V CA -1.573 60.572 62.300 -0.258 0.000 0.857 142 V CB 0.834 32.511 31.823 -0.243 0.000 0.985 142 V HN 0.141 8.092 8.190 -0.398 0.000 0.443 143 V N 6.867 126.530 119.914 -0.419 0.000 2.547 143 V HA 0.447 4.118 4.120 -1.020 -0.163 0.299 143 V C -1.057 174.829 176.094 -0.346 0.000 1.040 143 V CA -2.879 58.988 62.300 -0.722 0.000 0.913 143 V CB 1.731 32.950 31.823 -1.008 0.000 0.992 143 V HN 0.280 8.359 8.190 -0.184 0.000 0.449 144 L N 3.920 124.930 121.223 -0.354 0.000 2.334 144 L HA 0.501 4.941 4.340 0.102 -0.039 0.276 144 L C -1.401 175.404 176.870 -0.108 0.000 1.014 144 L CA -1.277 53.536 54.840 -0.045 0.000 0.815 144 L CB 2.817 44.911 42.059 0.058 0.000 1.268 144 L HN -0.389 7.523 8.230 -0.530 0.000 0.428 145 M N 2.443 122.015 119.600 -0.046 0.000 2.088 145 M HA 0.253 4.498 4.480 -0.393 0.000 0.346 145 M C -1.909 174.194 176.300 -0.329 0.000 1.111 145 M CA -0.359 54.786 55.300 -0.258 0.000 1.017 145 M CB 2.005 34.479 32.600 -0.210 0.000 1.568 145 M HN 0.101 8.465 8.290 0.123 0.000 0.445 146 N N 5.154 123.467 118.700 -0.644 0.000 2.242 146 N HA 0.403 4.809 4.740 -0.557 0.000 0.292 146 N C -1.975 173.027 175.510 -0.847 0.000 1.125 146 N CA -1.328 51.272 53.050 -0.750 0.000 0.783 146 N CB 4.225 42.144 38.487 -0.948 0.000 1.558 146 N HN 0.004 7.876 8.380 -0.846 0.000 0.472 147 Y N 1.248 121.320 120.300 -0.379 0.000 2.301 147 Y HA 0.086 4.680 4.550 -0.143 -0.129 0.325 147 Y C 0.739 176.686 175.900 0.078 0.000 1.203 147 Y CA 1.018 59.030 58.100 -0.148 0.000 1.255 147 Y CB 1.105 39.517 38.460 -0.080 0.000 1.232 147 Y HN 0.267 8.444 8.280 -0.172 0.000 0.501 148 R N 2.828 123.639 120.500 0.518 0.000 3.151 148 R HA -0.269 4.409 4.340 0.565 0.000 0.283 148 R C 1.256 177.699 176.300 0.239 0.000 1.140 148 R CA 0.861 57.217 56.100 0.427 0.000 1.162 148 R CB 0.681 31.158 30.300 0.295 0.000 1.121 148 R HN -0.118 8.503 8.270 0.585 0.000 0.552 149 E N -1.802 118.492 120.200 0.157 0.000 2.338 149 E HA -0.256 4.148 4.350 0.090 0.000 0.197 149 E C 0.596 177.232 176.600 0.061 0.000 1.007 149 E CA 2.219 58.674 56.400 0.093 0.000 0.849 149 E CB -0.206 29.534 29.700 0.068 0.000 0.774 149 E HN 0.262 8.709 8.360 0.145 0.000 0.506 150 D N -2.298 118.143 120.400 0.068 0.000 2.202 150 D HA -0.079 4.566 4.640 0.008 0.000 0.214 150 D C 0.370 176.649 176.300 -0.034 0.000 0.967 150 D CA 1.120 55.133 54.000 0.022 0.000 0.871 150 D CB 0.281 41.100 40.800 0.032 0.000 1.020 150 D HN -0.258 8.127 8.370 0.105 0.049 0.474 151 G N -2.482 106.298 108.800 -0.033 0.000 2.278 151 G HA2 -0.278 3.472 3.960 -0.349 0.000 0.210 151 G HA3 -0.278 3.483 3.960 -0.331 0.000 0.210 151 G C 0.245 174.773 174.900 -0.619 0.000 1.000 151 G CA -0.258 44.632 45.100 -0.349 0.000 0.635 151 G HN -0.110 8.234 8.290 0.091 0.000 0.495 152 I N 0.194 120.652 120.570 -0.187 0.000 3.684 152 I HA 0.025 4.087 4.170 -0.179 0.000 0.304 152 I C -1.811 174.413 176.117 0.179 0.000 1.278 152 I CA -0.085 61.172 61.300 -0.072 0.000 1.272 152 I CB 0.237 38.221 38.000 -0.026 0.000 1.029 152 I HN -0.209 7.878 8.210 -0.084 0.073 0.458 153 T N 2.095 116.859 114.554 0.349 0.000 2.912 153 T HA 0.364 4.886 4.350 0.287 0.000 0.326 153 T C -2.597 172.372 174.700 0.448 0.000 1.080 153 T CA -3.447 58.878 62.100 0.374 0.000 1.000 153 T CB 0.549 69.569 68.868 0.254 0.000 1.008 153 T HN -0.560 7.790 8.240 0.325 0.084 0.473 154 P HA 0.139 3.818 4.420 -1.235 0.000 0.282 154 P C -2.250 174.960 177.300 -0.151 0.000 1.274 154 P CA -0.560 62.250 63.100 -0.483 0.000 0.770 154 P CB -0.310 31.126 31.700 -0.439 0.000 0.867 155 Y N 1.111 121.275 120.300 -0.226 0.000 2.534 155 Y HA 0.536 5.041 4.550 -0.075 0.000 0.345 155 Y C -2.756 173.088 175.900 -0.093 0.000 1.031 155 Y CA -2.403 55.642 58.100 -0.091 0.000 1.022 155 Y CB 3.339 41.797 38.460 -0.004 0.000 1.292 155 Y HN -0.135 7.751 8.280 -0.658 0.000 0.459 156 M N -1.959 117.713 119.600 0.120 0.000 2.662 156 M HA 0.901 5.384 4.480 -0.261 -0.160 0.310 156 M C -1.541 174.866 176.300 0.179 0.000 1.204 156 M CA -2.107 53.158 55.300 -0.057 0.000 0.891 156 M CB 3.889 36.349 32.600 -0.234 0.000 1.732 156 M HN -0.289 8.161 8.290 0.266 0.000 0.467 157 I N -1.610 118.878 120.570 -0.137 0.000 2.530 157 I HA 0.719 5.288 4.170 0.307 -0.214 0.297 157 I C -1.543 174.284 176.117 -0.483 0.000 1.011 157 I CA -1.483 59.805 61.300 -0.019 0.000 1.107 157 I CB 3.264 41.258 38.000 -0.009 0.000 1.285 157 I HN -0.241 7.778 8.210 -0.318 0.000 0.436 158 F N 2.956 122.816 119.950 -0.150 0.000 2.496 158 F HA 0.378 4.580 4.527 -0.543 0.000 0.341 158 F C 0.015 175.716 175.800 -0.165 0.000 1.134 158 F CA -2.287 55.538 58.000 -0.293 0.000 0.968 158 F CB 1.613 40.505 39.000 -0.179 0.000 1.205 158 F HN 0.313 8.894 8.300 0.469 0.000 0.436 159 F N 3.571 123.545 119.950 0.041 0.000 2.512 159 F HA -0.244 4.298 4.527 0.025 0.000 0.406 159 F C 1.714 177.524 175.800 0.016 0.000 0.990 159 F CA -0.173 57.856 58.000 0.049 0.000 1.137 159 F CB -1.435 37.636 39.000 0.118 0.000 0.960 159 F HN 0.848 8.416 8.300 -1.220 0.000 0.533 160 K N 4.059 124.531 120.400 0.119 0.000 2.211 160 K HA -0.294 3.780 4.320 -0.411 0.000 0.203 160 K C 1.526 178.111 176.600 -0.025 0.000 1.050 160 K CA 2.687 58.858 56.287 -0.193 0.000 0.945 160 K CB -0.177 32.118 32.500 -0.342 0.000 0.732 160 K HN -0.125 8.239 8.250 0.190 0.000 0.451 161 D N -1.746 118.740 120.400 0.144 0.000 2.149 161 D HA -0.267 4.396 4.640 0.038 0.000 0.198 161 D C 1.112 177.442 176.300 0.051 0.000 0.990 161 D CA 2.532 56.591 54.000 0.097 0.000 0.839 161 D CB -0.721 40.174 40.800 0.159 0.000 0.948 161 D HN -0.088 8.410 8.370 0.252 0.023 0.460 162 G N -3.368 105.526 108.800 0.158 0.000 4.125 162 G HA2 0.243 4.349 3.960 0.243 0.000 0.301 162 G HA3 0.243 4.236 3.960 0.056 0.000 0.301 162 G C -2.223 172.735 174.900 0.096 0.000 1.273 162 G CA -0.893 44.289 45.100 0.137 0.000 1.095 162 G HN -0.619 7.829 8.290 0.276 0.008 0.582 163 L N 0.406 121.646 121.223 0.028 0.000 2.470 163 L HA 0.453 4.816 4.340 0.038 0.000 0.268 163 L C -2.345 174.530 176.870 0.008 0.000 0.964 163 L CA -0.221 54.619 54.840 0.000 0.000 0.839 163 L CB 2.754 44.756 42.059 -0.095 0.000 1.276 163 L HN -0.611 7.543 8.230 0.003 0.078 0.403 164 V N 4.153 124.111 119.914 0.074 0.000 2.881 164 V HA 0.436 4.605 4.120 0.081 0.000 0.316 164 V C -2.035 174.192 176.094 0.221 0.000 1.070 164 V CA -3.035 59.324 62.300 0.098 0.000 0.976 164 V CB 4.570 36.415 31.823 0.036 0.000 1.038 164 V HN 0.222 8.456 8.190 0.073 0.000 0.446 165 S N 4.717 120.533 115.700 0.194 0.000 2.489 165 S HA 0.189 4.582 4.470 -0.127 0.000 0.291 165 S C -1.352 173.176 174.600 -0.121 0.000 1.151 165 S CA -0.710 57.533 58.200 0.071 0.000 1.082 165 S CB 1.310 64.672 63.200 0.269 0.000 1.019 165 S HN 0.096 8.492 8.310 0.143 0.000 0.492 166 E N 4.468 124.486 120.200 -0.304 0.000 2.218 166 E HA 0.206 4.479 4.350 -0.127 0.000 0.263 166 E C -1.833 174.641 176.600 -0.210 0.000 0.879 166 E CA -1.429 54.844 56.400 -0.210 0.000 0.762 166 E CB 2.998 32.563 29.700 -0.224 0.000 1.166 166 E HN 0.237 8.250 8.360 -0.577 0.000 0.415 167 K N 5.384 125.720 120.400 -0.107 0.000 2.172 167 K HA 0.121 4.408 4.320 -0.056 0.000 0.276 167 K C -0.689 175.921 176.600 0.017 0.000 1.013 167 K CA -0.685 55.578 56.287 -0.041 0.000 0.913 167 K CB 1.108 33.611 32.500 0.005 0.000 1.055 167 K HN 0.351 8.556 8.250 -0.076 0.000 0.461 168 F N 0.000 119.915 119.950 -0.058 0.000 2.286 168 F HA 0.000 4.501 4.527 -0.043 0.000 0.279 168 F CA 0.000 57.975 58.000 -0.042 0.000 1.383 168 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 168 F HN 0.000 8.401 8.300 0.168 0.000 0.574