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 2ebz_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGRER RVASWAVSFE RLLQDPVGVR YFSDFLRKEF SEENILFWQA DATA SEQUENCE CEYFNHVPAH DKKELSYRAR EIFSKFLCSK ATTPVNIDSQ AQLADDVLRA DATA SEQUENCE PHPDMFKEQQ LQIFNLMKFD SYTRFLKSPL YQECILAEVE GRALPDSQQV DATA SEQUENCE PSSPA 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 1 G C 0.000 174.895 174.900 -0.008 0.000 0.946 1 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 2 S N 2.257 117.952 115.700 -0.009 0.000 2.580 2 S HA 0.064 4.528 4.470 -0.010 0.000 0.266 2 S C -0.909 173.684 174.600 -0.013 0.000 1.354 2 S CA -0.107 58.087 58.200 -0.010 0.000 1.008 2 S CB 0.554 63.748 63.200 -0.010 0.000 0.898 2 S HN 0.009 8.314 8.310 -0.008 0.000 0.555 3 S N 2.019 117.709 115.700 -0.015 0.000 2.547 3 S HA 0.186 4.645 4.470 -0.019 0.000 0.281 3 S C -0.101 174.485 174.600 -0.023 0.000 1.118 3 S CA -0.490 57.699 58.200 -0.019 0.000 0.947 3 S CB 2.139 65.327 63.200 -0.019 0.000 1.053 3 S HN -0.004 8.297 8.310 -0.015 0.000 0.482 4 G N 4.577 113.360 108.800 -0.028 0.000 2.681 4 G HA2 -0.252 3.660 3.960 -0.040 0.000 0.220 4 G HA3 -0.252 3.686 3.960 -0.037 0.000 0.220 4 G C -1.216 173.666 174.900 -0.030 0.000 1.353 4 G CA -0.012 45.068 45.100 -0.034 0.000 0.872 4 G HN 0.222 8.496 8.290 -0.027 0.000 0.557 5 S N -0.199 115.481 115.700 -0.034 0.000 2.536 5 S HA 0.322 4.779 4.470 -0.021 0.000 0.298 5 S C 0.584 175.170 174.600 -0.024 0.000 1.083 5 S CA -0.605 57.579 58.200 -0.027 0.000 0.995 5 S CB 1.166 64.349 63.200 -0.028 0.000 1.058 5 S HN 0.236 8.521 8.310 -0.042 0.000 0.488 6 S N 5.874 121.564 115.700 -0.017 0.000 2.663 6 S HA 0.302 4.761 4.470 -0.017 0.000 0.243 6 S C 0.692 175.287 174.600 -0.009 0.000 1.009 6 S CA -0.601 57.591 58.200 -0.014 0.000 0.988 6 S CB 0.427 63.621 63.200 -0.010 0.000 0.896 6 S HN 0.362 8.664 8.310 -0.013 0.000 0.502 7 G N 2.706 111.501 108.800 -0.009 0.000 2.605 7 G HA2 -0.108 3.853 3.960 0.001 0.000 0.215 7 G HA3 -0.108 3.852 3.960 0.000 0.000 0.215 7 G C -0.443 174.456 174.900 -0.001 0.000 1.279 7 G CA 0.520 45.619 45.100 -0.002 0.000 0.831 7 G HN -0.399 7.812 8.290 -0.012 0.071 0.560 8 R N -1.015 119.482 120.500 -0.004 0.000 2.939 8 R HA 0.268 4.608 4.340 0.000 0.000 0.254 8 R C -0.858 175.430 176.300 -0.019 0.000 1.123 8 R CA -1.389 54.709 56.100 -0.003 0.000 1.020 8 R CB 1.979 32.285 30.300 0.010 0.000 1.206 8 R HN -0.063 8.202 8.270 -0.008 0.000 0.491 9 E N 1.138 121.328 120.200 -0.017 0.000 2.447 9 E HA -0.152 4.177 4.350 -0.034 0.000 0.259 9 E C 0.164 176.724 176.600 -0.066 0.000 1.196 9 E CA 0.026 56.406 56.400 -0.033 0.000 0.995 9 E CB 0.634 30.321 29.700 -0.021 0.000 0.974 9 E HN 0.184 8.540 8.360 -0.005 0.000 0.465 10 R N 1.210 121.655 120.500 -0.092 0.000 2.357 10 R HA -0.116 4.122 4.340 -0.171 0.000 0.330 10 R C 0.841 177.003 176.300 -0.230 0.000 1.102 10 R CA 0.300 56.304 56.100 -0.160 0.000 0.974 10 R CB -1.256 28.954 30.300 -0.150 0.000 1.002 10 R HN 0.361 8.587 8.270 -0.074 0.000 0.463 11 R N 3.236 123.555 120.500 -0.301 0.000 2.146 11 R HA 0.038 4.209 4.340 -0.281 0.000 0.206 11 R C 0.862 176.396 176.300 -1.277 0.000 1.049 11 R CA 1.636 57.490 56.100 -0.410 0.000 1.029 11 R CB 0.052 30.306 30.300 -0.077 0.000 0.949 11 R HN -0.075 8.041 8.270 -0.256 0.000 0.471 12 V N -0.058 119.064 119.914 -1.320 0.000 2.287 12 V HA -0.471 0.966 4.120 -4.472 0.000 0.248 12 V C 1.703 176.996 176.094 -1.335 0.000 1.053 12 V CA 3.664 64.735 62.300 -2.049 0.000 1.027 12 V CB -0.520 30.743 31.823 -0.934 0.000 0.646 12 V HN 0.186 7.925 8.190 -0.751 0.000 0.447 13 A N -2.319 120.098 122.820 -0.672 0.000 1.968 13 A HA -0.134 4.136 4.320 -0.083 0.000 0.217 13 A C 1.263 178.719 177.584 -0.213 0.000 1.169 13 A CA 2.236 54.109 52.037 -0.273 0.000 0.638 13 A CB -0.636 18.258 19.000 -0.177 0.000 0.812 13 A HN 0.067 7.858 8.150 -0.599 0.000 0.446 14 S N -1.374 114.116 115.700 -0.349 0.000 2.462 14 S HA -0.242 4.195 4.470 -0.055 0.000 0.243 14 S C 1.515 176.153 174.600 0.063 0.000 1.003 14 S CA 2.813 60.928 58.200 -0.142 0.000 0.970 14 S CB -0.470 62.649 63.200 -0.134 0.000 0.762 14 S HN -0.308 7.624 8.310 -0.496 0.080 0.510 15 W N -1.609 119.752 121.300 0.101 0.000 3.204 15 W HA 0.186 4.890 4.660 0.072 0.000 0.249 15 W C 0.030 176.586 176.519 0.061 0.000 1.322 15 W CA -1.265 56.135 57.345 0.090 0.000 1.593 15 W CB -1.986 27.566 29.460 0.154 0.000 1.122 15 W HN -0.740 7.146 8.180 -0.375 0.069 0.710 16 A N -2.177 120.776 122.820 0.220 0.000 2.138 16 A HA 0.137 4.568 4.320 0.185 0.000 0.203 16 A C 1.007 178.677 177.584 0.143 0.000 1.286 16 A CA 0.300 52.427 52.037 0.150 0.000 0.929 16 A CB 0.690 19.723 19.000 0.055 0.000 0.975 16 A HN -0.071 7.967 8.150 0.156 0.206 0.480 17 V N -0.390 119.593 119.914 0.115 0.000 2.407 17 V HA -0.261 3.898 4.120 0.064 0.000 0.248 17 V C -0.092 176.058 176.094 0.094 0.000 1.055 17 V CA 2.133 64.484 62.300 0.085 0.000 1.049 17 V CB 0.259 32.122 31.823 0.067 0.000 0.662 17 V HN -0.507 7.749 8.190 0.109 0.000 0.455 18 S N -5.613 110.167 115.700 0.133 0.000 2.615 18 S HA 0.059 4.548 4.470 0.031 0.000 0.268 18 S C -1.022 173.667 174.600 0.147 0.000 1.146 18 S CA -0.674 57.588 58.200 0.102 0.000 0.818 18 S CB 1.041 64.309 63.200 0.114 0.000 1.111 18 S HN -0.913 7.494 8.310 0.179 0.011 0.465 19 F N 3.034 122.923 119.950 -0.101 0.000 2.128 19 F HA -0.098 4.450 4.527 0.035 0.000 0.295 19 F C 1.527 177.344 175.800 0.030 0.000 1.100 19 F CA 2.205 60.123 58.000 -0.137 0.000 1.260 19 F CB 0.686 39.408 39.000 -0.464 0.000 1.009 19 F HN 0.567 8.935 8.300 0.114 0.000 0.476 20 E N -1.150 119.288 120.200 0.397 0.000 2.208 20 E HA -0.439 4.107 4.350 0.326 0.000 0.202 20 E C 2.260 179.005 176.600 0.242 0.000 1.014 20 E CA 3.567 60.145 56.400 0.298 0.000 0.819 20 E CB -0.808 29.019 29.700 0.212 0.000 0.735 20 E HN 0.078 8.656 8.360 0.365 0.000 0.469 21 R N -3.307 117.335 120.500 0.237 0.000 2.119 21 R HA -0.141 4.326 4.340 0.211 0.000 0.222 21 R C 2.373 178.830 176.300 0.262 0.000 1.088 21 R CA 2.191 58.435 56.100 0.240 0.000 0.984 21 R CB -0.860 29.586 30.300 0.243 0.000 0.884 21 R HN -0.000 8.380 8.270 0.242 0.035 0.447 22 L N 0.801 122.140 121.223 0.193 0.000 2.017 22 L HA -0.232 4.076 4.340 -0.054 0.000 0.208 22 L C 1.550 178.357 176.870 -0.105 0.000 1.073 22 L CA 2.594 57.410 54.840 -0.040 0.000 0.745 22 L CB -0.754 41.122 42.059 -0.305 0.000 0.894 22 L HN 0.210 8.444 8.230 0.226 0.131 0.432 23 L N -4.275 116.953 121.223 0.008 0.000 2.034 23 L HA -0.384 3.891 4.340 -0.109 0.000 0.203 23 L C 1.592 178.503 176.870 0.067 0.000 1.074 23 L CA 2.440 57.272 54.840 -0.015 0.000 0.748 23 L CB -0.157 41.897 42.059 -0.008 0.000 0.905 23 L HN -0.688 7.621 8.230 0.132 0.000 0.439 24 Q N -2.542 117.335 119.800 0.128 0.000 2.182 24 Q HA -0.403 4.020 4.340 0.138 0.000 0.213 24 Q C 0.566 176.641 176.000 0.125 0.000 1.000 24 Q CA 2.254 58.139 55.803 0.137 0.000 0.889 24 Q CB -0.194 28.633 28.738 0.149 0.000 0.932 24 Q HN -0.718 7.644 8.270 0.153 0.000 0.415 25 D N -0.362 120.121 120.400 0.138 0.000 2.308 25 D HA 0.252 4.990 4.640 0.163 0.000 0.251 25 D C -0.717 175.624 176.300 0.069 0.000 1.127 25 D CA -2.826 51.269 54.000 0.159 0.000 0.876 25 D CB 2.002 43.003 40.800 0.335 0.000 1.176 25 D HN -0.638 7.810 8.370 0.146 0.010 0.446 26 P HA -0.018 4.418 4.420 0.026 0.000 0.223 26 P C 0.793 178.098 177.300 0.008 0.000 1.151 26 P CA 1.662 64.787 63.100 0.042 0.000 0.787 26 P CB 0.842 32.580 31.700 0.063 0.000 0.788 27 V N -0.975 118.965 119.914 0.044 0.000 2.407 27 V HA -0.308 3.851 4.120 0.065 0.000 0.245 27 V C 1.719 177.631 176.094 -0.303 0.000 1.041 27 V CA 3.933 66.252 62.300 0.031 0.000 1.040 27 V CB -0.443 31.562 31.823 0.303 0.000 0.671 27 V HN 0.446 8.995 8.190 0.122 -0.285 0.455 28 G N -1.377 107.006 108.800 -0.695 0.000 2.462 28 G HA2 -0.283 2.647 3.960 -1.718 0.000 0.220 28 G HA3 -0.283 3.104 3.960 -1.157 -0.121 0.220 28 G C 1.184 175.765 174.900 -0.532 0.000 1.121 28 G CA 2.168 46.601 45.100 -1.112 0.000 0.758 28 G HN -0.604 7.636 8.290 -0.403 -0.192 0.559 29 V N 2.325 122.063 119.914 -0.294 0.000 2.379 29 V HA -0.417 3.593 4.120 -0.183 0.000 0.243 29 V C 1.150 177.186 176.094 -0.096 0.000 1.035 29 V CA 3.570 65.772 62.300 -0.162 0.000 1.035 29 V CB -0.014 31.756 31.823 -0.088 0.000 0.673 29 V HN -0.789 7.228 8.190 -0.243 0.027 0.457 30 R N 0.486 120.919 120.500 -0.111 0.000 2.117 30 R HA -0.383 3.890 4.340 -0.112 0.000 0.243 30 R C 2.303 178.476 176.300 -0.211 0.000 1.143 30 R CA 2.802 58.811 56.100 -0.151 0.000 0.968 30 R CB -1.140 29.047 30.300 -0.189 0.000 0.863 30 R HN -0.535 7.669 8.270 -0.110 0.000 0.444 31 Y N -1.094 119.107 120.300 -0.166 0.000 2.231 31 Y HA -0.101 4.437 4.550 -0.021 0.000 0.294 31 Y C 1.938 177.701 175.900 -0.228 0.000 1.120 31 Y CA 2.271 60.306 58.100 -0.109 0.000 1.141 31 Y CB 0.373 38.815 38.460 -0.031 0.000 1.022 31 Y HN -0.540 7.705 8.280 -0.028 0.018 0.523 32 F N 0.797 120.435 119.950 -0.520 0.000 2.065 32 F HA -0.592 3.198 4.527 -1.229 0.000 0.298 32 F C 1.507 177.157 175.800 -0.250 0.000 1.112 32 F CA 4.103 61.660 58.000 -0.737 0.000 1.212 32 F CB 0.284 38.824 39.000 -0.767 0.000 0.975 32 F HN -0.380 7.771 8.300 -0.249 0.000 0.476 33 S N -1.008 114.677 115.700 -0.024 0.000 2.359 33 S HA -0.575 3.886 4.470 -0.014 0.000 0.222 33 S C 1.603 176.138 174.600 -0.108 0.000 1.038 33 S CA 4.107 62.283 58.200 -0.040 0.000 1.051 33 S CB -0.083 63.122 63.200 0.008 0.000 0.944 33 S HN 0.266 8.611 8.310 0.057 0.000 0.433 34 D N 1.706 122.061 120.400 -0.075 0.000 2.126 34 D HA -0.352 4.243 4.640 -0.075 0.000 0.190 34 D C 1.759 178.038 176.300 -0.035 0.000 1.001 34 D CA 3.375 57.343 54.000 -0.052 0.000 0.841 34 D CB -0.128 40.657 40.800 -0.026 0.000 0.949 34 D HN -0.816 7.509 8.370 -0.074 0.000 0.446 35 F N 0.007 119.866 119.950 -0.152 0.000 2.043 35 F HA -0.469 4.042 4.527 -0.027 0.000 0.297 35 F C 2.201 177.893 175.800 -0.181 0.000 1.118 35 F CA 3.282 61.201 58.000 -0.136 0.000 1.202 35 F CB 0.045 38.935 39.000 -0.183 0.000 0.965 35 F HN -0.579 7.781 8.300 0.100 0.000 0.482 36 L N -1.136 119.896 121.223 -0.319 0.000 2.021 36 L HA -0.504 3.571 4.340 -0.441 0.000 0.215 36 L C 2.675 179.384 176.870 -0.268 0.000 1.074 36 L CA 2.968 57.603 54.840 -0.342 0.000 0.760 36 L CB -0.640 41.281 42.059 -0.230 0.000 0.889 36 L HN -0.450 7.638 8.230 -0.236 0.000 0.433 37 R N -2.061 118.314 120.500 -0.209 0.000 2.139 37 R HA -0.391 3.803 4.340 -0.243 0.000 0.243 37 R C 2.402 178.628 176.300 -0.124 0.000 1.145 37 R CA 3.217 59.198 56.100 -0.199 0.000 0.976 37 R CB -0.381 29.808 30.300 -0.185 0.000 0.866 37 R HN -0.316 7.768 8.270 -0.188 0.073 0.449 38 K N -3.079 117.223 120.400 -0.164 0.000 2.089 38 K HA -0.315 3.985 4.320 -0.032 0.000 0.210 38 K C 1.236 177.814 176.600 -0.038 0.000 1.048 38 K CA 2.508 58.725 56.287 -0.117 0.000 0.926 38 K CB -0.333 32.020 32.500 -0.244 0.000 0.714 38 K HN -0.136 7.839 8.250 -0.229 0.138 0.448 39 E N -4.811 115.328 120.200 -0.102 0.000 2.558 39 E HA -0.025 4.331 4.350 0.010 0.000 0.205 39 E C -0.467 176.237 176.600 0.174 0.000 1.006 39 E CA -1.150 55.242 56.400 -0.014 0.000 0.961 39 E CB 0.015 29.636 29.700 -0.132 0.000 1.044 39 E HN -0.572 7.535 8.360 -0.239 0.110 0.465 40 F N -1.223 118.656 119.950 -0.119 0.000 3.040 40 F HA -0.298 4.192 4.527 -0.062 0.000 0.298 40 F C -0.085 175.681 175.800 -0.058 0.000 0.948 40 F CA 1.055 59.013 58.000 -0.071 0.000 1.022 40 F CB -1.857 37.114 39.000 -0.048 0.000 1.023 40 F HN 0.111 8.310 8.300 0.220 0.233 0.742 41 S N -4.122 111.585 115.700 0.011 0.000 2.663 41 S HA 0.156 4.653 4.470 0.044 0.000 0.243 41 S C 0.940 175.534 174.600 -0.010 0.000 1.009 41 S CA -0.220 57.981 58.200 0.003 0.000 0.988 41 S CB 0.990 64.171 63.200 -0.031 0.000 0.896 41 S HN 0.186 8.336 8.310 -0.055 0.127 0.502 42 E N 3.853 124.029 120.200 -0.040 0.000 2.086 42 E HA -0.533 3.802 4.350 -0.026 0.000 0.200 42 E C 1.349 177.988 176.600 0.065 0.000 1.012 42 E CA 4.299 60.690 56.400 -0.014 0.000 0.812 42 E CB -0.350 29.317 29.700 -0.055 0.000 0.743 42 E HN 0.284 8.528 8.360 -0.079 0.069 0.453 43 E N -2.237 118.022 120.200 0.099 0.000 2.208 43 E HA -0.449 4.067 4.350 0.277 0.000 0.202 43 E C 2.101 178.728 176.600 0.045 0.000 1.014 43 E CA 2.837 59.334 56.400 0.162 0.000 0.819 43 E CB -1.078 28.757 29.700 0.224 0.000 0.735 43 E HN 0.487 8.893 8.360 0.076 0.000 0.469 44 N N 0.049 118.788 118.700 0.065 0.000 2.036 44 N HA -0.331 4.435 4.740 0.043 0.000 0.195 44 N C 2.343 177.961 175.510 0.181 0.000 1.037 44 N CA 2.744 55.850 53.050 0.093 0.000 0.855 44 N CB -0.555 37.999 38.487 0.111 0.000 1.033 44 N HN -0.040 8.230 8.380 0.065 0.149 0.423 45 I N 0.932 121.626 120.570 0.206 0.000 2.480 45 I HA -0.185 4.160 4.170 0.292 0.000 0.251 45 I C 1.049 177.313 176.117 0.245 0.000 1.124 45 I CA 1.052 62.513 61.300 0.268 0.000 1.444 45 I CB 0.060 38.247 38.000 0.313 0.000 1.098 45 I HN -0.297 7.935 8.210 0.163 0.077 0.428 46 L N -0.339 120.980 121.223 0.161 0.000 2.079 46 L HA -0.397 4.053 4.340 0.183 0.000 0.210 46 L C 2.417 179.294 176.870 0.012 0.000 1.081 46 L CA 3.185 58.117 54.840 0.154 0.000 0.752 46 L CB -0.693 41.514 42.059 0.245 0.000 0.896 46 L HN 0.126 8.335 8.230 0.142 0.107 0.433 47 F N -0.423 119.241 119.950 -0.476 0.000 2.084 47 F HA -0.387 3.426 4.527 -1.190 0.000 0.296 47 F C 0.900 176.617 175.800 -0.138 0.000 1.111 47 F CA 3.492 61.032 58.000 -0.768 0.000 1.224 47 F CB 0.175 38.638 39.000 -0.895 0.000 0.991 47 F HN -0.033 8.078 8.300 -0.128 0.112 0.471 48 W N -0.414 120.855 121.300 -0.050 0.000 2.301 48 W HA -0.610 4.001 4.660 -0.081 0.000 0.325 48 W C 1.368 177.818 176.519 -0.114 0.000 1.250 48 W CA 4.649 61.965 57.345 -0.049 0.000 1.261 48 W CB 0.014 29.528 29.460 0.091 0.000 1.157 48 W HN -0.836 7.625 8.180 0.468 0.000 0.473 49 Q N -3.261 116.729 119.800 0.317 0.000 2.062 49 Q HA -0.605 3.722 4.340 -0.021 0.000 0.209 49 Q C 2.576 178.483 176.000 -0.156 0.000 0.996 49 Q CA 3.004 58.868 55.803 0.102 0.000 0.859 49 Q CB -0.433 28.459 28.738 0.256 0.000 0.920 49 Q HN -0.341 8.264 8.270 0.559 0.000 0.415 50 A N -0.786 121.965 122.820 -0.114 0.000 1.869 50 A HA -0.366 3.940 4.320 -0.023 0.000 0.218 50 A C 2.104 179.616 177.584 -0.120 0.000 1.203 50 A CA 3.027 55.014 52.037 -0.084 0.000 0.638 50 A CB -0.775 18.216 19.000 -0.016 0.000 0.831 50 A HN -0.603 7.505 8.150 -0.069 0.000 0.450 51 C N -1.405 117.705 119.300 -0.316 0.000 2.336 51 C HA -0.540 3.938 4.460 0.030 0.000 0.275 51 C C 2.007 176.897 174.990 -0.166 0.000 1.175 51 C CA 4.246 63.152 59.018 -0.186 0.000 1.771 51 C CB -1.364 26.180 27.740 -0.326 0.000 2.030 51 C HN -0.385 7.525 8.230 -0.534 0.000 0.442 52 E N -0.587 119.336 120.200 -0.461 0.000 2.197 52 E HA -0.431 3.824 4.350 -0.415 -0.154 0.205 52 E C 2.422 178.738 176.600 -0.474 0.000 1.029 52 E CA 2.956 59.038 56.400 -0.530 0.000 0.828 52 E CB -0.203 29.036 29.700 -0.768 0.000 0.737 52 E HN -0.519 7.415 8.360 -0.710 0.000 0.464 53 Y N -1.511 118.570 120.300 -0.364 0.000 2.263 53 Y HA -0.289 4.056 4.550 -0.341 0.000 0.292 53 Y C 1.135 176.956 175.900 -0.132 0.000 1.130 53 Y CA 3.068 61.019 58.100 -0.248 0.000 1.179 53 Y CB 0.184 38.561 38.460 -0.140 0.000 0.998 53 Y HN -0.437 7.663 8.280 -0.097 0.122 0.532 54 F N 0.337 120.274 119.950 -0.021 0.000 2.053 54 F HA -0.465 4.029 4.527 -0.056 0.000 0.292 54 F C 1.477 177.140 175.800 -0.228 0.000 1.125 54 F CA 2.884 60.799 58.000 -0.142 0.000 1.193 54 F CB 0.524 39.342 39.000 -0.304 0.000 0.996 54 F HN -0.117 8.222 8.300 0.239 0.104 0.470 55 N N 0.748 119.356 118.700 -0.154 0.000 2.069 55 N HA -0.535 4.043 4.740 -0.456 -0.111 0.196 55 N C 1.313 176.671 175.510 -0.252 0.000 1.024 55 N CA 3.301 56.214 53.050 -0.228 0.000 0.869 55 N CB -1.122 37.397 38.487 0.054 0.000 1.035 55 N HN 0.104 8.540 8.380 0.254 0.096 0.434 56 H N -0.152 118.722 119.070 -0.326 0.000 2.357 56 H HA -0.243 4.167 4.556 -0.244 0.000 0.296 56 H C 1.005 176.113 175.328 -0.366 0.000 1.108 56 H CA 2.150 58.013 56.048 -0.308 0.000 1.273 56 H CB 0.024 29.602 29.762 -0.307 0.000 1.367 56 H HN -0.680 7.617 8.280 0.035 0.004 0.498 57 V N 0.258 119.963 119.914 -0.349 0.000 2.694 57 V HA -0.192 3.728 4.120 -0.333 0.000 0.306 57 V C -1.798 174.038 176.094 -0.431 0.000 1.054 57 V CA -0.884 61.170 62.300 -0.410 0.000 1.161 57 V CB 0.017 31.555 31.823 -0.475 0.000 0.916 57 V HN -0.368 7.482 8.190 -0.384 0.109 0.490 58 P HA 0.079 4.343 4.420 -0.260 0.000 0.272 58 P C -1.138 175.903 177.300 -0.431 0.000 1.223 58 P CA -0.475 62.423 63.100 -0.336 0.000 0.784 58 P CB 0.933 32.496 31.700 -0.227 0.000 0.923 59 A N 0.211 122.843 122.820 -0.313 0.000 1.858 59 A HA -0.278 3.835 4.320 -0.346 0.000 0.216 59 A C 0.954 178.395 177.584 -0.238 0.000 1.190 59 A CA 2.595 54.456 52.037 -0.293 0.000 0.617 59 A CB -0.483 18.364 19.000 -0.256 0.000 0.827 59 A HN 0.227 8.240 8.150 -0.229 0.000 0.443 60 H N -3.669 115.327 119.070 -0.125 0.000 2.292 60 H HA -0.244 4.271 4.556 -0.069 0.000 0.292 60 H C 0.131 175.413 175.328 -0.077 0.000 1.100 60 H CA 1.923 57.919 56.048 -0.085 0.000 1.238 60 H CB -0.530 29.186 29.762 -0.076 0.000 1.355 60 H HN -0.121 8.163 8.280 0.007 0.000 0.484 61 D N -0.368 119.397 120.400 -1.058 0.000 2.346 61 D HA -0.057 4.425 4.640 -0.262 0.000 0.267 61 D C 0.288 176.419 176.300 -0.281 0.000 1.320 61 D CA 0.676 54.331 54.000 -0.575 0.000 0.951 61 D CB 0.119 40.522 40.800 -0.663 0.000 1.079 61 D HN 0.110 7.306 8.370 -1.959 -0.002 0.509 62 K N 5.475 125.800 120.400 -0.125 0.000 2.141 62 K HA -0.154 4.122 4.320 -0.074 0.000 0.202 62 K C 1.689 178.280 176.600 -0.015 0.000 1.045 62 K CA 2.176 58.428 56.287 -0.058 0.000 0.971 62 K CB 0.324 32.815 32.500 -0.014 0.000 0.795 62 K HN -0.208 7.995 8.250 -0.079 0.000 0.459 63 K N 0.380 120.778 120.400 -0.003 0.000 2.097 63 K HA -0.394 3.960 4.320 0.055 0.000 0.214 63 K C 2.811 179.449 176.600 0.062 0.000 1.052 63 K CA 3.506 59.814 56.287 0.035 0.000 0.932 63 K CB -0.838 31.677 32.500 0.023 0.000 0.716 63 K HN 0.196 8.440 8.250 -0.011 0.000 0.455 64 E N -2.046 118.157 120.200 0.005 0.000 2.008 64 E HA -0.204 4.172 4.350 0.044 0.000 0.191 64 E C 2.140 178.788 176.600 0.079 0.000 0.986 64 E CA 2.346 58.756 56.400 0.017 0.000 0.807 64 E CB -0.079 29.578 29.700 -0.072 0.000 0.766 64 E HN -0.745 7.795 8.360 -0.045 -0.207 0.450 65 L N -0.502 120.711 121.223 -0.017 0.000 2.011 65 L HA -0.558 3.777 4.340 -0.007 0.000 0.225 65 L C 2.187 179.187 176.870 0.215 0.000 1.084 65 L CA 3.369 58.233 54.840 0.040 0.000 0.791 65 L CB -0.453 41.565 42.059 -0.068 0.000 0.898 65 L HN -0.609 7.556 8.230 -0.107 0.000 0.440 66 S N -2.390 113.400 115.700 0.149 0.000 2.377 66 S HA -0.438 4.114 4.470 0.138 0.000 0.224 66 S C 1.753 176.465 174.600 0.188 0.000 1.042 66 S CA 3.978 62.265 58.200 0.146 0.000 1.086 66 S CB -0.061 63.197 63.200 0.097 0.000 0.995 66 S HN 0.024 8.389 8.310 0.092 0.000 0.428 67 Y N 1.919 122.261 120.300 0.071 0.000 2.062 67 Y HA -0.518 4.065 4.550 0.055 0.000 0.273 67 Y C 1.800 177.753 175.900 0.090 0.000 1.206 67 Y CA 3.450 61.591 58.100 0.068 0.000 1.125 67 Y CB -0.132 38.362 38.460 0.057 0.000 0.951 67 Y HN -0.799 7.646 8.280 0.275 0.000 0.501 68 R N -2.856 117.919 120.500 0.459 0.000 2.070 68 R HA -0.436 4.136 4.340 0.385 0.000 0.227 68 R C 2.249 178.686 176.300 0.229 0.000 1.147 68 R CA 1.857 58.177 56.100 0.368 0.000 0.924 68 R CB -1.036 29.520 30.300 0.427 0.000 0.827 68 R HN -0.070 8.454 8.270 0.419 -0.003 0.431 69 A N 0.168 123.095 122.820 0.178 0.000 1.906 69 A HA -0.417 3.851 4.320 -0.086 0.000 0.222 69 A C 2.568 180.267 177.584 0.192 0.000 1.282 69 A CA 3.214 55.296 52.037 0.075 0.000 0.675 69 A CB -0.989 18.081 19.000 0.116 0.000 0.838 69 A HN 0.583 8.831 8.150 0.319 0.094 0.469 70 R N -3.581 117.004 120.500 0.141 0.000 2.082 70 R HA -0.422 4.010 4.340 0.153 0.000 0.234 70 R C 2.343 178.733 176.300 0.150 0.000 1.136 70 R CA 2.925 59.102 56.100 0.127 0.000 0.935 70 R CB -0.647 29.674 30.300 0.034 0.000 0.842 70 R HN 0.165 8.518 8.270 0.127 -0.007 0.430 71 E N -0.335 119.907 120.200 0.070 0.000 2.035 71 E HA -0.274 4.064 4.350 -0.020 0.000 0.204 71 E C 2.531 179.183 176.600 0.087 0.000 1.025 71 E CA 2.690 59.111 56.400 0.036 0.000 0.835 71 E CB -0.720 29.005 29.700 0.041 0.000 0.764 71 E HN -0.578 7.808 8.360 0.043 0.000 0.457 72 I N -1.002 119.672 120.570 0.173 0.000 2.185 72 I HA -0.567 3.752 4.170 0.248 0.000 0.246 72 I C 1.830 178.141 176.117 0.323 0.000 1.088 72 I CA 3.671 65.134 61.300 0.273 0.000 1.347 72 I CB -0.318 37.872 38.000 0.317 0.000 1.041 72 I HN 0.026 8.243 8.210 0.183 0.102 0.415 73 F N 1.498 121.539 119.950 0.152 0.000 2.000 73 F HA -0.497 4.122 4.527 0.154 0.000 0.295 73 F C 1.796 177.629 175.800 0.056 0.000 1.159 73 F CA 3.675 61.743 58.000 0.114 0.000 1.171 73 F CB 0.083 39.127 39.000 0.073 0.000 0.971 73 F HN 0.008 8.547 8.300 0.408 0.005 0.479 74 S N -2.374 113.359 115.700 0.056 0.000 2.528 74 S HA -0.408 3.918 4.470 -0.241 0.000 0.244 74 S C 1.689 176.180 174.600 -0.181 0.000 0.982 74 S CA 2.517 60.657 58.200 -0.102 0.000 0.953 74 S CB -0.292 62.921 63.200 0.020 0.000 0.754 74 S HN 0.047 8.550 8.310 0.322 0.000 0.529 75 K N 0.424 120.699 120.400 -0.210 0.000 2.044 75 K HA -0.187 3.901 4.320 -0.386 0.000 0.204 75 K C 1.572 177.807 176.600 -0.607 0.000 1.045 75 K CA 3.258 59.265 56.287 -0.467 0.000 0.951 75 K CB 0.454 32.572 32.500 -0.637 0.000 0.738 75 K HN -0.368 7.679 8.250 -0.097 0.145 0.443 76 F N -5.869 114.079 119.950 -0.003 0.000 2.592 76 F HA 0.220 4.853 4.527 -0.033 -0.126 0.280 76 F C -0.224 175.472 175.800 -0.174 0.000 1.083 76 F CA 0.273 58.258 58.000 -0.025 0.000 1.365 76 F CB 2.636 41.713 39.000 0.128 0.000 1.100 76 F HN -0.203 8.079 8.300 -0.030 0.000 0.633 77 L N -1.285 119.865 121.223 -0.122 0.000 2.272 77 L HA 0.389 4.548 4.340 -0.302 0.000 0.284 77 L C -1.111 175.099 176.870 -1.099 0.000 1.045 77 L CA -0.306 54.242 54.840 -0.487 0.000 0.842 77 L CB -0.692 41.150 42.059 -0.361 0.000 1.224 77 L HN -0.011 8.138 8.230 -0.015 0.071 0.430 78 C N 2.969 121.901 119.300 -0.614 0.000 3.211 78 C HA 0.053 4.151 4.460 -0.604 0.000 0.350 78 C C -0.451 174.417 174.990 -0.204 0.000 1.413 78 C CA -0.934 57.794 59.018 -0.483 0.000 1.203 78 C CB 3.177 30.696 27.740 -0.368 0.000 1.506 78 C HN 0.155 8.164 8.230 -0.370 0.000 0.448 79 S N 1.127 116.762 115.700 -0.108 0.000 2.425 79 S HA -0.062 4.377 4.470 -0.052 0.000 0.225 79 S C 0.368 174.935 174.600 -0.054 0.000 1.024 79 S CA 2.455 60.623 58.200 -0.054 0.000 0.951 79 S CB 0.186 63.377 63.200 -0.016 0.000 0.796 79 S HN 0.257 8.514 8.310 -0.088 0.000 0.498 80 K N -0.088 120.275 120.400 -0.061 0.000 2.478 80 K HA 0.219 4.514 4.320 -0.042 0.000 0.205 80 K C -1.676 174.883 176.600 -0.069 0.000 1.033 80 K CA -1.345 54.911 56.287 -0.052 0.000 1.091 80 K CB 0.377 32.855 32.500 -0.037 0.000 0.844 80 K HN -0.109 8.099 8.250 -0.071 0.000 0.507 81 A N -1.038 121.722 122.820 -0.099 0.000 2.565 81 A HA -0.096 4.145 4.320 -0.132 0.000 0.237 81 A C 1.619 179.156 177.584 -0.077 0.000 1.053 81 A CA 0.765 52.731 52.037 -0.117 0.000 0.755 81 A CB 0.475 19.384 19.000 -0.152 0.000 0.980 81 A HN -0.654 7.255 8.150 -0.114 0.173 0.506 82 T N -0.168 114.336 114.554 -0.083 0.000 2.565 82 T HA -0.332 3.997 4.350 -0.035 0.000 0.265 82 T C 0.815 175.510 174.700 -0.009 0.000 1.082 82 T CA 2.316 64.388 62.100 -0.046 0.000 1.173 82 T CB 0.290 69.123 68.868 -0.059 0.000 0.864 82 T HN 0.408 8.579 8.240 -0.116 0.000 0.425 83 T N 0.495 115.056 114.554 0.011 0.000 3.008 83 T HA 0.363 4.739 4.350 0.043 0.000 0.328 83 T C -2.424 172.332 174.700 0.094 0.000 1.020 83 T CA -2.468 59.671 62.100 0.064 0.000 1.043 83 T CB 1.325 70.260 68.868 0.111 0.000 1.010 83 T HN -0.360 7.868 8.240 -0.018 0.000 0.466 84 P HA 0.320 5.045 4.420 0.013 -0.297 0.271 84 P C 0.183 177.479 177.300 -0.006 0.000 1.226 84 P CA -0.770 62.334 63.100 0.006 0.000 0.765 84 P CB 0.468 32.147 31.700 -0.034 0.000 0.835 85 V N -1.943 117.936 119.914 -0.059 0.000 2.881 85 V HA 0.011 4.343 4.120 -0.083 -0.262 0.303 85 V C 0.571 176.573 176.094 -0.153 0.000 1.070 85 V CA -0.934 61.272 62.300 -0.156 0.000 1.074 85 V CB 0.938 32.503 31.823 -0.431 0.000 1.012 85 V HN -0.563 7.596 8.190 -0.051 0.000 0.482 86 N N 2.335 120.967 118.700 -0.113 0.000 2.144 86 N HA -0.321 4.392 4.740 -0.045 0.000 0.195 86 N C 0.377 175.830 175.510 -0.095 0.000 1.006 86 N CA 1.914 54.921 53.050 -0.072 0.000 0.880 86 N CB 0.189 38.656 38.487 -0.033 0.000 1.018 86 N HN 0.321 8.643 8.380 -0.096 0.000 0.443 87 I N -1.799 118.669 120.570 -0.171 0.000 2.880 87 I HA -0.363 3.749 4.170 -0.098 0.000 0.296 87 I C -0.572 175.476 176.117 -0.116 0.000 1.220 87 I CA 1.116 62.320 61.300 -0.161 0.000 1.435 87 I CB 0.137 37.964 38.000 -0.288 0.000 1.339 87 I HN -0.548 7.494 8.210 -0.247 0.020 0.583 88 D N 5.647 126.008 120.400 -0.065 0.000 2.232 88 D HA 0.233 4.845 4.640 -0.047 0.000 0.242 88 D C 0.243 176.531 176.300 -0.019 0.000 1.093 88 D CA -0.241 53.735 54.000 -0.039 0.000 0.845 88 D CB 2.043 42.832 40.800 -0.019 0.000 1.124 88 D HN 0.378 8.717 8.370 -0.052 0.000 0.467 89 S N 3.797 119.494 115.700 -0.005 0.000 2.660 89 S HA -0.148 4.373 4.470 0.085 0.000 0.228 89 S C 1.099 175.741 174.600 0.071 0.000 0.966 89 S CA 1.473 59.710 58.200 0.063 0.000 0.940 89 S CB 0.070 63.315 63.200 0.074 0.000 0.773 89 S HN 0.515 8.811 8.310 -0.025 0.000 0.535 90 Q N 1.317 121.136 119.800 0.032 0.000 2.508 90 Q HA -0.227 4.133 4.340 0.033 0.000 0.214 90 Q C 0.175 176.190 176.000 0.025 0.000 0.979 90 Q CA 1.566 57.385 55.803 0.027 0.000 0.911 90 Q CB -0.610 28.136 28.738 0.013 0.000 0.969 90 Q HN 0.101 8.251 8.270 0.015 0.129 0.504 91 A N -1.962 120.873 122.820 0.026 0.000 2.261 91 A HA -0.024 4.300 4.320 0.007 0.000 0.208 91 A C -1.110 176.479 177.584 0.009 0.000 1.223 91 A CA -0.423 51.621 52.037 0.012 0.000 0.833 91 A CB -0.575 18.425 19.000 0.000 0.000 0.830 91 A HN -0.441 7.630 8.150 0.033 0.099 0.483 92 Q N -6.330 113.484 119.800 0.024 0.000 2.407 92 Q HA -0.514 3.844 4.340 0.029 0.000 0.277 92 Q C -0.322 175.656 176.000 -0.037 0.000 1.161 92 Q CA 1.225 57.033 55.803 0.008 0.000 0.924 92 Q CB -2.986 25.752 28.738 0.000 0.000 1.318 92 Q HN -0.504 7.659 8.270 0.040 0.131 0.513 93 L N -1.845 119.350 121.223 -0.046 0.000 2.012 93 L HA -0.420 3.870 4.340 -0.084 0.000 0.210 93 L C 1.808 178.486 176.870 -0.321 0.000 1.073 93 L CA 2.608 57.366 54.840 -0.136 0.000 0.748 93 L CB -0.590 41.394 42.059 -0.125 0.000 0.891 93 L HN -0.285 7.922 8.230 0.017 0.033 0.431 94 A N -0.712 121.746 122.820 -0.604 0.000 1.870 94 A HA -0.623 2.883 4.320 -1.356 0.000 0.219 94 A C 1.508 178.894 177.584 -0.330 0.000 1.286 94 A CA 3.878 55.431 52.037 -0.807 0.000 0.682 94 A CB -0.951 17.756 19.000 -0.488 0.000 0.844 94 A HN 0.324 8.208 8.150 -0.444 0.000 0.460 95 D N -2.065 118.235 120.400 -0.166 0.000 2.244 95 D HA -0.402 4.196 4.640 -0.069 0.000 0.197 95 D C 1.936 178.193 176.300 -0.072 0.000 1.006 95 D CA 3.289 57.238 54.000 -0.084 0.000 0.888 95 D CB -0.508 40.265 40.800 -0.044 0.000 0.912 95 D HN 0.279 8.568 8.370 -0.134 0.000 0.452 96 D N -0.848 119.501 120.400 -0.084 0.000 2.278 96 D HA -0.054 4.582 4.640 -0.007 0.000 0.228 96 D C 2.096 178.387 176.300 -0.014 0.000 1.020 96 D CA 2.925 56.908 54.000 -0.028 0.000 0.922 96 D CB 0.439 41.238 40.800 -0.002 0.000 1.051 96 D HN -0.060 8.071 8.370 -0.122 0.165 0.452 97 V N 0.004 119.899 119.914 -0.032 0.000 2.418 97 V HA -0.488 3.775 4.120 0.137 -0.061 0.258 97 V C 1.696 177.781 176.094 -0.016 0.000 1.088 97 V CA 3.263 65.575 62.300 0.020 0.000 1.091 97 V CB -0.846 30.958 31.823 -0.032 0.000 0.669 97 V HN 0.074 8.127 8.190 -0.073 0.094 0.461 98 L N -2.111 119.058 121.223 -0.090 0.000 1.988 98 L HA -0.331 3.985 4.340 -0.040 0.000 0.207 98 L C 2.009 178.873 176.870 -0.011 0.000 1.071 98 L CA 3.302 58.109 54.840 -0.056 0.000 0.744 98 L CB -0.670 41.340 42.059 -0.082 0.000 0.893 98 L HN 0.264 8.265 8.230 -0.157 0.134 0.433 99 R N -3.279 117.215 120.500 -0.009 0.000 2.055 99 R HA -0.133 4.213 4.340 0.009 0.000 0.228 99 R C 0.325 176.643 176.300 0.029 0.000 1.143 99 R CA 1.836 57.942 56.100 0.010 0.000 0.945 99 R CB 0.244 30.548 30.300 0.006 0.000 0.841 99 R HN -0.769 7.485 8.270 -0.026 0.000 0.429 100 A N -0.392 122.455 122.820 0.045 0.000 2.611 100 A HA 0.421 4.782 4.320 0.067 0.000 0.282 100 A C -3.055 174.603 177.584 0.124 0.000 1.114 100 A CA -1.972 50.109 52.037 0.074 0.000 0.800 100 A CB 1.650 20.693 19.000 0.071 0.000 1.325 100 A HN 0.022 8.099 8.150 0.036 0.094 0.411 101 P HA 0.007 4.594 4.420 0.277 0.000 0.288 101 P C -2.235 175.265 177.300 0.334 0.000 1.291 101 P CA -0.633 62.629 63.100 0.269 0.000 0.766 101 P CB 1.439 33.328 31.700 0.315 0.000 1.242 102 H N -3.016 116.251 119.070 0.327 0.000 2.966 102 H HA 0.242 4.853 4.556 0.091 0.000 0.347 102 H C -1.380 174.083 175.328 0.225 0.000 1.048 102 H CA -1.842 54.335 56.048 0.215 0.000 1.295 102 H CB 3.713 33.596 29.762 0.201 0.000 1.744 102 H HN 0.058 8.733 8.280 0.658 0.000 0.513 103 P HA 0.055 3.961 4.420 -0.855 0.000 0.239 103 P C -0.920 176.350 177.300 -0.050 0.000 1.184 103 P CA 1.295 64.153 63.100 -0.402 0.000 0.760 103 P CB 0.402 31.810 31.700 -0.486 0.000 0.884 104 D N -2.918 117.590 120.400 0.180 0.000 2.531 104 D HA 0.027 4.763 4.640 0.159 0.000 0.263 104 D C 1.301 177.817 176.300 0.361 0.000 1.057 104 D CA 1.495 55.651 54.000 0.261 0.000 0.909 104 D CB 0.862 41.822 40.800 0.266 0.000 1.236 104 D HN -0.791 7.632 8.370 0.245 0.094 0.494 105 M N 1.806 121.699 119.600 0.488 0.000 2.088 105 M HA -0.502 4.101 4.480 0.205 0.000 0.256 105 M C 1.697 178.222 176.300 0.375 0.000 1.071 105 M CA 4.188 59.701 55.300 0.355 0.000 1.097 105 M CB 0.013 32.831 32.600 0.363 0.000 1.315 105 M HN -0.805 7.895 8.290 0.683 0.000 0.406 106 F N -2.658 117.424 119.950 0.221 0.000 2.120 106 F HA -0.431 4.162 4.527 0.111 0.000 0.300 106 F C 1.736 177.612 175.800 0.127 0.000 1.095 106 F CA 2.997 61.087 58.000 0.151 0.000 1.249 106 F CB -1.432 37.662 39.000 0.155 0.000 0.995 106 F HN -0.621 8.296 8.300 1.028 0.000 0.480 107 K N -1.870 118.721 120.400 0.319 0.000 2.184 107 K HA -0.422 3.980 4.320 0.137 0.000 0.210 107 K C 2.799 179.478 176.600 0.131 0.000 1.048 107 K CA 2.853 59.242 56.287 0.170 0.000 0.931 107 K CB -1.019 31.557 32.500 0.127 0.000 0.718 107 K HN -0.246 8.129 8.250 0.381 0.103 0.465 108 E N -1.231 119.047 120.200 0.131 0.000 2.006 108 E HA -0.354 4.046 4.350 0.084 0.000 0.192 108 E C 2.417 179.082 176.600 0.109 0.000 0.993 108 E CA 3.164 59.622 56.400 0.096 0.000 0.808 108 E CB -0.404 29.340 29.700 0.073 0.000 0.764 108 E HN -0.434 7.895 8.360 0.157 0.124 0.449 109 Q N -1.171 118.691 119.800 0.103 0.000 2.014 109 Q HA -0.401 3.992 4.340 0.088 0.000 0.207 109 Q C 2.392 178.556 176.000 0.273 0.000 0.993 109 Q CA 3.271 59.156 55.803 0.136 0.000 0.850 109 Q CB -0.604 28.195 28.738 0.100 0.000 0.916 109 Q HN -0.488 7.827 8.270 0.076 0.000 0.417 110 Q N -1.200 118.779 119.800 0.298 0.000 2.118 110 Q HA -0.366 4.276 4.340 0.504 0.000 0.211 110 Q C 2.331 178.532 176.000 0.335 0.000 0.998 110 Q CA 3.139 59.125 55.803 0.306 0.000 0.872 110 Q CB -0.163 28.610 28.738 0.058 0.000 0.925 110 Q HN -0.292 8.115 8.270 0.229 0.000 0.414 111 L N -1.540 119.813 121.223 0.216 0.000 2.042 111 L HA -0.304 4.155 4.340 0.199 0.000 0.210 111 L C 1.545 178.564 176.870 0.247 0.000 1.076 111 L CA 3.101 58.057 54.840 0.193 0.000 0.749 111 L CB -0.486 41.628 42.059 0.092 0.000 0.893 111 L HN -0.543 7.785 8.230 0.164 0.001 0.432 112 Q N -1.415 118.505 119.800 0.200 0.000 2.062 112 Q HA -0.451 3.979 4.340 0.150 0.000 0.209 112 Q C 2.805 178.917 176.000 0.187 0.000 0.996 112 Q CA 3.075 58.975 55.803 0.162 0.000 0.859 112 Q CB -0.495 28.301 28.738 0.096 0.000 0.920 112 Q HN -0.438 7.839 8.270 0.181 0.102 0.415 113 I N -1.358 119.348 120.570 0.227 0.000 2.202 113 I HA -0.404 3.850 4.170 0.140 0.000 0.242 113 I C 1.685 177.928 176.117 0.210 0.000 1.091 113 I CA 1.556 62.987 61.300 0.220 0.000 1.368 113 I CB -1.295 36.892 38.000 0.313 0.000 1.058 113 I HN -0.786 7.586 8.210 0.270 0.000 0.410 114 F N 1.329 121.346 119.950 0.112 0.000 2.063 114 F HA -0.568 3.726 4.527 -0.389 0.000 0.298 114 F C 1.271 176.945 175.800 -0.209 0.000 1.105 114 F CA 4.438 62.341 58.000 -0.162 0.000 1.215 114 F CB -0.024 38.921 39.000 -0.091 0.000 0.972 114 F HN -0.182 8.427 8.300 0.515 0.000 0.483 115 N N -1.904 116.908 118.700 0.187 0.000 2.106 115 N HA -0.348 4.330 4.740 -0.104 0.000 0.188 115 N C 2.107 177.697 175.510 0.134 0.000 1.029 115 N CA 2.660 55.785 53.050 0.125 0.000 0.848 115 N CB -0.543 38.154 38.487 0.351 0.000 1.007 115 N HN -0.289 8.290 8.380 0.332 0.000 0.423 116 L N 0.964 122.302 121.223 0.191 0.000 1.976 116 L HA -0.450 4.047 4.340 0.261 0.000 0.223 116 L C 1.886 178.867 176.870 0.184 0.000 1.081 116 L CA 3.429 58.391 54.840 0.202 0.000 0.784 116 L CB -0.272 41.875 42.059 0.146 0.000 0.896 116 L HN -0.192 8.096 8.230 0.187 0.054 0.438 117 M N -2.947 116.743 119.600 0.150 0.000 2.117 117 M HA -0.518 4.173 4.480 0.255 -0.058 0.262 117 M C 2.491 178.917 176.300 0.210 0.000 1.065 117 M CA 3.835 59.278 55.300 0.238 0.000 1.114 117 M CB -0.280 32.532 32.600 0.353 0.000 1.361 117 M HN -0.131 8.231 8.290 0.119 0.000 0.408 118 K N -1.084 119.337 120.400 0.034 0.000 2.228 118 K HA -0.365 3.920 4.320 -0.059 0.000 0.205 118 K C 0.884 177.209 176.600 -0.458 0.000 1.045 118 K CA 2.803 58.930 56.287 -0.266 0.000 0.931 118 K CB -0.078 32.000 32.500 -0.703 0.000 0.727 118 K HN -0.371 7.836 8.250 -0.071 0.000 0.458 119 F N -8.238 111.783 119.950 0.117 0.000 2.746 119 F HA 0.047 4.625 4.527 0.084 0.000 0.313 119 F C -0.130 175.740 175.800 0.118 0.000 1.095 119 F CA 0.419 58.476 58.000 0.096 0.000 1.224 119 F CB 1.065 40.106 39.000 0.068 0.000 1.060 119 F HN -0.719 7.421 8.300 0.007 0.164 0.584 120 D N -1.044 119.522 120.400 0.277 0.000 2.584 120 D HA -0.027 4.740 4.640 0.213 0.000 0.254 120 D C 1.498 177.940 176.300 0.238 0.000 1.085 120 D CA 2.209 56.347 54.000 0.230 0.000 0.971 120 D CB 1.053 41.974 40.800 0.201 0.000 1.103 120 D HN -0.148 8.139 8.370 0.246 0.231 0.453 121 S N -0.971 114.893 115.700 0.273 0.000 2.327 121 S HA -0.207 4.503 4.470 0.400 0.000 0.213 121 S C 1.676 176.382 174.600 0.178 0.000 1.032 121 S CA 3.007 61.383 58.200 0.293 0.000 0.960 121 S CB 0.145 63.498 63.200 0.255 0.000 0.900 121 S HN -0.872 7.516 8.310 0.281 0.091 0.469 122 Y N 3.246 123.652 120.300 0.176 0.000 2.133 122 Y HA -0.469 4.139 4.550 0.097 0.000 0.279 122 Y C 1.661 177.522 175.900 -0.064 0.000 1.209 122 Y CA 3.528 61.626 58.100 -0.004 0.000 1.152 122 Y CB -0.126 38.140 38.460 -0.323 0.000 0.961 122 Y HN -0.057 8.427 8.280 0.503 0.097 0.512 123 T N -2.227 112.458 114.554 0.218 0.000 2.643 123 T HA -0.403 4.038 4.350 0.150 0.000 0.264 123 T C 2.044 176.732 174.700 -0.020 0.000 1.045 123 T CA 3.524 65.699 62.100 0.125 0.000 1.155 123 T CB -0.698 68.267 68.868 0.162 0.000 0.863 123 T HN -0.610 7.765 8.240 0.248 0.013 0.420 124 R N 1.332 121.829 120.500 -0.004 0.000 2.083 124 R HA -0.300 4.035 4.340 -0.008 0.000 0.237 124 R C 2.108 178.207 176.300 -0.335 0.000 1.137 124 R CA 2.198 58.270 56.100 -0.047 0.000 0.951 124 R CB -0.850 29.576 30.300 0.211 0.000 0.851 124 R HN -0.971 7.346 8.270 0.079 0.000 0.434 125 F N 0.516 119.912 119.950 -0.922 0.000 2.106 125 F HA -0.332 3.152 4.527 -1.738 0.000 0.299 125 F C 2.022 177.472 175.800 -0.583 0.000 1.082 125 F CA 3.114 60.432 58.000 -1.135 0.000 1.244 125 F CB -0.471 37.956 39.000 -0.953 0.000 0.997 125 F HN 0.527 8.364 8.300 -0.583 0.113 0.486 126 L N -4.694 116.066 121.223 -0.772 0.000 2.109 126 L HA -0.260 3.202 4.340 -1.464 0.000 0.207 126 L C 1.038 177.643 176.870 -0.443 0.000 1.086 126 L CA 2.111 56.411 54.840 -0.900 0.000 0.760 126 L CB -0.433 41.180 42.059 -0.744 0.000 0.910 126 L HN -0.792 7.125 8.230 -0.505 0.010 0.437 127 K N -4.386 115.852 120.400 -0.270 0.000 2.148 127 K HA -0.157 4.099 4.320 -0.107 0.000 0.204 127 K C 0.839 177.390 176.600 -0.081 0.000 1.050 127 K CA 0.847 57.060 56.287 -0.124 0.000 0.942 127 K CB -0.031 32.437 32.500 -0.054 0.000 0.724 127 K HN -0.297 7.690 8.250 -0.270 0.101 0.446 128 S N 0.152 115.792 115.700 -0.101 0.000 2.593 128 S HA 0.198 4.694 4.470 0.043 0.000 0.269 128 S C 0.124 174.710 174.600 -0.023 0.000 1.334 128 S CA -0.641 57.557 58.200 -0.003 0.000 1.015 128 S CB 1.470 64.736 63.200 0.109 0.000 0.912 128 S HN 0.006 8.079 8.310 -0.195 0.120 0.541 129 P HA -0.019 4.400 4.420 -0.001 0.000 0.221 129 P C 1.075 178.382 177.300 0.012 0.000 1.150 129 P CA 1.800 64.908 63.100 0.014 0.000 0.800 129 P CB 0.019 31.736 31.700 0.029 0.000 0.787 130 L N -0.818 120.440 121.223 0.057 0.000 1.978 130 L HA -0.334 4.076 4.340 0.117 0.000 0.218 130 L C 1.818 178.682 176.870 -0.010 0.000 1.075 130 L CA 3.052 57.954 54.840 0.105 0.000 0.767 130 L CB -0.698 41.511 42.059 0.251 0.000 0.890 130 L HN -0.746 7.508 8.230 0.088 0.029 0.434 131 Y N -1.561 118.542 120.300 -0.329 0.000 2.151 131 Y HA -0.523 3.729 4.550 -0.497 0.000 0.284 131 Y C 1.495 177.213 175.900 -0.304 0.000 1.166 131 Y CA 3.359 61.121 58.100 -0.564 0.000 1.163 131 Y CB -0.300 37.464 38.460 -1.160 0.000 0.974 131 Y HN -0.790 7.398 8.280 -0.155 0.000 0.511 132 Q N -3.715 115.954 119.800 -0.219 0.000 2.135 132 Q HA -0.388 3.761 4.340 -0.319 0.000 0.204 132 Q C 2.321 178.176 176.000 -0.242 0.000 0.981 132 Q CA 3.065 58.732 55.803 -0.227 0.000 0.856 132 Q CB -0.806 27.889 28.738 -0.072 0.000 0.902 132 Q HN -0.244 7.901 8.270 -0.061 0.088 0.425 133 E N -0.755 119.344 120.200 -0.167 0.000 2.108 133 E HA -0.324 3.987 4.350 -0.064 0.000 0.203 133 E C 2.322 178.831 176.600 -0.153 0.000 1.022 133 E CA 3.075 59.413 56.400 -0.104 0.000 0.823 133 E CB -0.825 28.867 29.700 -0.014 0.000 0.744 133 E HN -0.172 7.990 8.360 -0.129 0.121 0.456 134 C N -3.267 115.868 119.300 -0.275 0.000 2.450 134 C HA -0.211 4.168 4.460 -0.134 0.000 0.279 134 C C 1.570 176.384 174.990 -0.293 0.000 1.335 134 C CA 4.064 62.931 59.018 -0.250 0.000 1.749 134 C CB -0.343 27.244 27.740 -0.256 0.000 1.963 134 C HN -0.543 7.461 8.230 -0.375 0.000 0.501 135 I N 1.294 121.623 120.570 -0.401 0.000 2.127 135 I HA -0.415 3.533 4.170 -0.369 0.000 0.241 135 I C 1.849 177.848 176.117 -0.197 0.000 1.075 135 I CA 3.110 64.206 61.300 -0.339 0.000 1.334 135 I CB -0.852 36.950 38.000 -0.332 0.000 1.040 135 I HN -0.859 6.918 8.210 -0.491 0.138 0.405 136 L N -0.858 120.274 121.223 -0.152 0.000 2.043 136 L HA -0.429 3.860 4.340 -0.086 0.000 0.212 136 L C 2.372 179.191 176.870 -0.085 0.000 1.075 136 L CA 3.661 58.443 54.840 -0.096 0.000 0.752 136 L CB -1.865 40.151 42.059 -0.071 0.000 0.891 136 L HN 0.233 8.363 8.230 -0.167 0.000 0.432 137 A N -3.512 119.255 122.820 -0.088 0.000 1.969 137 A HA -0.288 4.003 4.320 -0.047 0.000 0.218 137 A C 2.402 179.938 177.584 -0.080 0.000 1.169 137 A CA 3.212 55.209 52.037 -0.066 0.000 0.635 137 A CB -0.848 18.124 19.000 -0.047 0.000 0.810 137 A HN -0.274 7.809 8.150 -0.104 0.005 0.445 138 E N -0.075 120.053 120.200 -0.120 0.000 2.051 138 E HA -0.213 4.070 4.350 -0.112 0.000 0.189 138 E C 1.909 178.449 176.600 -0.101 0.000 0.979 138 E CA 2.581 58.903 56.400 -0.130 0.000 0.803 138 E CB 0.104 29.684 29.700 -0.199 0.000 0.761 138 E HN -0.506 7.626 8.360 -0.147 0.139 0.451 139 V N 0.076 119.931 119.914 -0.099 0.000 2.548 139 V HA -0.245 3.832 4.120 -0.072 0.000 0.249 139 V C 1.381 177.442 176.094 -0.056 0.000 1.055 139 V CA 2.271 64.527 62.300 -0.074 0.000 1.065 139 V CB 0.021 31.801 31.823 -0.070 0.000 0.681 139 V HN 0.317 8.438 8.190 -0.115 0.000 0.462 140 E N -3.018 117.150 120.200 -0.055 0.000 2.057 140 E HA 0.079 4.408 4.350 -0.035 0.000 0.190 140 E C 0.493 177.072 176.600 -0.035 0.000 0.969 140 E CA 1.182 57.558 56.400 -0.040 0.000 0.812 140 E CB 1.575 31.254 29.700 -0.036 0.000 0.777 140 E HN 0.269 8.464 8.360 -0.064 0.127 0.455 141 G N -2.083 106.693 108.800 -0.039 0.000 2.247 141 G HA2 -0.279 3.679 3.960 -0.037 0.000 0.111 141 G HA3 -0.279 3.750 3.960 -0.027 -0.085 0.111 141 G C -1.147 173.739 174.900 -0.022 0.000 1.045 141 G CA -0.495 44.587 45.100 -0.031 0.000 0.715 141 G HN 0.071 8.205 8.290 -0.046 0.128 0.485 142 R N -1.066 119.420 120.500 -0.023 0.000 2.923 142 R HA 0.318 4.654 4.340 -0.006 0.000 0.252 142 R C -1.687 174.611 176.300 -0.003 0.000 1.130 142 R CA -1.686 54.408 56.100 -0.011 0.000 1.043 142 R CB 2.211 32.505 30.300 -0.010 0.000 1.205 142 R HN -0.150 7.978 8.270 -0.032 0.123 0.495 143 A N -0.033 122.793 122.820 0.011 0.000 2.327 143 A HA 0.063 4.400 4.320 0.028 0.000 0.255 143 A C -0.394 177.215 177.584 0.042 0.000 1.099 143 A CA -0.111 51.943 52.037 0.028 0.000 0.801 143 A CB 0.367 19.386 19.000 0.032 0.000 1.062 143 A HN 0.138 8.294 8.150 0.010 0.000 0.496 144 L N 0.851 122.119 121.223 0.075 0.000 2.307 144 L HA 0.249 4.643 4.340 0.091 0.000 0.282 144 L C -0.207 176.753 176.870 0.150 0.000 1.051 144 L CA -1.930 52.985 54.840 0.125 0.000 0.804 144 L CB -0.457 41.720 42.059 0.197 0.000 1.197 144 L HN -0.021 8.256 8.230 0.079 0.000 0.431 145 P HA 0.032 4.510 4.420 0.097 0.000 0.296 145 P C -1.907 175.486 177.300 0.155 0.000 1.295 145 P CA -0.765 62.425 63.100 0.151 0.000 0.754 145 P CB 0.795 32.586 31.700 0.151 0.000 1.311 146 D N -0.719 119.724 120.400 0.071 0.000 2.453 146 D HA 0.173 4.754 4.640 -0.099 0.000 0.238 146 D C 0.079 176.330 176.300 -0.081 0.000 1.088 146 D CA -1.120 52.858 54.000 -0.038 0.000 0.854 146 D CB 1.321 42.103 40.800 -0.029 0.000 1.076 146 D HN 0.142 8.555 8.370 0.072 0.000 0.533 147 S N 5.433 120.955 115.700 -0.298 0.000 2.393 147 S HA -0.439 4.036 4.470 0.008 0.000 0.235 147 S C 1.417 175.967 174.600 -0.083 0.000 1.061 147 S CA 3.180 61.246 58.200 -0.223 0.000 1.129 147 S CB 0.326 63.220 63.200 -0.510 0.000 1.011 147 S HN 0.700 8.643 8.310 -0.612 0.000 0.436 148 Q N -2.610 117.122 119.800 -0.113 0.000 2.077 148 Q HA -0.344 3.964 4.340 -0.054 0.000 0.206 148 Q C 1.058 177.042 176.000 -0.027 0.000 0.989 148 Q CA 2.627 58.392 55.803 -0.062 0.000 0.853 148 Q CB 0.046 28.744 28.738 -0.067 0.000 0.907 148 Q HN -0.239 8.013 8.270 -0.173 -0.085 0.418 149 Q N -1.955 117.833 119.800 -0.021 0.000 2.096 149 Q HA -0.247 4.093 4.340 -0.001 0.000 0.204 149 Q C 0.917 176.928 176.000 0.018 0.000 0.982 149 Q CA 1.608 57.411 55.803 0.001 0.000 0.850 149 Q CB 0.496 29.238 28.738 0.007 0.000 0.901 149 Q HN -0.770 7.594 8.270 -0.038 -0.117 0.422 150 V N 2.653 122.588 119.914 0.034 0.000 2.584 150 V HA -0.199 3.954 4.120 0.054 0.000 0.303 150 V C -1.726 174.395 176.094 0.045 0.000 1.035 150 V CA -0.112 62.222 62.300 0.056 0.000 1.172 150 V CB -0.327 31.555 31.823 0.098 0.000 0.896 150 V HN -0.379 7.747 8.190 0.030 0.083 0.486 151 P HA 0.185 4.621 4.420 0.027 0.000 0.271 151 P C -0.305 177.019 177.300 0.039 0.000 1.226 151 P CA -0.110 63.010 63.100 0.033 0.000 0.765 151 P CB 0.545 32.262 31.700 0.029 0.000 0.835 152 S N 3.937 119.657 115.700 0.033 0.000 2.374 152 S HA -0.260 4.233 4.470 0.038 0.000 0.227 152 S C 0.524 175.142 174.600 0.030 0.000 1.037 152 S CA 1.634 59.852 58.200 0.031 0.000 1.024 152 S CB -0.068 63.147 63.200 0.026 0.000 0.861 152 S HN 0.029 8.355 8.310 0.027 0.000 0.456 153 S N 3.842 119.557 115.700 0.025 0.000 2.510 153 S HA 0.135 4.616 4.470 0.018 0.000 0.279 153 S C -1.278 173.339 174.600 0.027 0.000 1.284 153 S CA -1.608 56.605 58.200 0.021 0.000 1.059 153 S CB 0.435 63.645 63.200 0.015 0.000 0.901 153 S HN -0.400 7.919 8.310 0.024 0.005 0.491 154 P HA 0.095 4.538 4.420 0.039 0.000 0.274 154 P C -1.089 176.225 177.300 0.024 0.000 1.260 154 P CA -0.512 62.607 63.100 0.032 0.000 0.793 154 P CB 0.615 32.335 31.700 0.033 0.000 1.048 155 A N 0.000 122.834 122.820 0.023 0.000 2.254 155 A HA 0.000 4.330 4.320 0.016 0.000 0.244 155 A CA 0.000 52.047 52.037 0.017 0.000 0.836 155 A CB 0.000 19.010 19.000 0.017 0.000 0.831 155 A HN 0.000 8.166 8.150 0.026 0.000 0.486