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 1xmw_1_A DATA FIRST_RESID 1 DATA SEQUENCE DDAENIEYKV SISGTSVELT cPLDSDENLK WEKNGQELPQ KHDKHLVLQD DATA SEQUENCE FSEVEDSGYY VcYTPASNKN TYLYLKARVG SADDAKKDAA KKDDAKKDDA DATA SEQUENCE KKDGSQTNKA KRALEVLEAE DKVILKcNSS ITLLQGTAGQ EVSDNKTLNL DATA SEQUENCE GKRIEDPRGM YQcGENAKSF TLQVYYRM 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 D HA 0.000 4.626 4.640 -0.023 0.000 0.175 1 D C 0.000 176.289 176.300 -0.019 0.000 2.045 1 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 1 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 2 D N 0.867 121.255 120.400 -0.021 0.000 2.995 2 D HA 0.110 4.743 4.640 -0.013 0.000 0.289 2 D C 0.226 176.518 176.300 -0.014 0.000 1.116 2 D CA 1.181 55.172 54.000 -0.016 0.000 0.994 2 D CB 1.025 41.815 40.800 -0.017 0.000 1.209 2 D HN 0.429 8.783 8.370 -0.027 0.000 0.458 3 A N 0.002 122.811 122.820 -0.018 0.000 2.992 3 A HA 0.093 4.408 4.320 -0.009 0.000 0.263 3 A C -1.525 176.047 177.584 -0.020 0.000 0.928 3 A CA -0.017 52.012 52.037 -0.014 0.000 1.061 3 A CB 0.481 19.475 19.000 -0.010 0.000 1.173 3 A HN -0.259 7.877 8.150 -0.024 0.000 0.482 4 E N -0.705 119.480 120.200 -0.024 0.000 3.702 4 E HA -0.270 4.061 4.350 -0.032 0.000 0.159 4 E C -1.419 175.151 176.600 -0.051 0.000 1.963 4 E CA 0.440 56.822 56.400 -0.031 0.000 0.824 4 E CB -0.294 29.396 29.700 -0.018 0.000 1.065 4 E HN 0.288 8.635 8.360 -0.022 0.000 0.346 5 N N -2.787 115.872 118.700 -0.069 0.000 2.234 5 N HA -0.053 4.620 4.740 -0.111 0.000 0.227 5 N C -0.768 174.658 175.510 -0.140 0.000 1.151 5 N CA 0.195 53.181 53.050 -0.106 0.000 0.865 5 N CB 0.154 38.581 38.487 -0.101 0.000 1.066 5 N HN 0.144 8.487 8.380 -0.061 0.000 0.515 6 I N -8.065 112.440 120.570 -0.109 0.000 3.812 6 I HA 0.077 4.158 4.170 -0.147 0.000 0.319 6 I C -1.711 174.337 176.117 -0.115 0.000 1.353 6 I CA -0.483 60.747 61.300 -0.117 0.000 1.170 6 I CB -1.076 36.880 38.000 -0.072 0.000 1.057 6 I HN -0.519 7.577 8.210 -0.080 0.066 0.411 7 E N -2.973 117.146 120.200 -0.135 0.000 2.433 7 E HA 0.115 4.461 4.350 -0.006 0.000 0.278 7 E C -1.739 174.775 176.600 -0.143 0.000 0.976 7 E CA -2.915 53.443 56.400 -0.069 0.000 0.793 7 E CB 2.536 32.227 29.700 -0.014 0.000 1.311 7 E HN -1.032 7.135 8.360 -0.156 0.099 0.460 8 Y N 0.305 120.532 120.300 -0.121 0.000 2.335 8 Y HA 0.089 4.727 4.550 -0.139 -0.171 0.331 8 Y C 0.583 176.387 175.900 -0.159 0.000 1.094 8 Y CA 1.245 59.263 58.100 -0.137 0.000 1.253 8 Y CB 0.944 39.330 38.460 -0.124 0.000 1.203 8 Y HN -0.369 8.334 8.280 0.323 -0.229 0.508 9 K N 2.324 122.710 120.400 -0.023 0.000 2.095 9 K HA 0.224 4.495 4.320 -0.082 0.000 0.252 9 K C -1.511 175.031 176.600 -0.097 0.000 0.977 9 K CA -1.529 54.723 56.287 -0.058 0.000 0.900 9 K CB 2.073 34.566 32.500 -0.011 0.000 1.060 9 K HN -0.117 8.108 8.250 -0.043 0.000 0.449 10 V N -0.483 119.340 119.914 -0.151 0.000 2.760 10 V HA 0.295 4.457 4.120 -0.127 -0.119 0.309 10 V C -0.654 175.420 176.094 -0.034 0.000 1.077 10 V CA -1.316 60.886 62.300 -0.164 0.000 0.910 10 V CB 3.208 34.747 31.823 -0.473 0.000 1.008 10 V HN 0.293 8.420 8.190 -0.105 0.000 0.424 11 S N 5.111 120.791 115.700 -0.034 0.000 2.461 11 S HA 0.307 4.778 4.470 0.002 0.000 0.216 11 S C -0.966 173.602 174.600 -0.054 0.000 1.201 11 S CA -1.154 57.033 58.200 -0.022 0.000 1.171 11 S CB 0.791 63.977 63.200 -0.023 0.000 1.169 11 S HN 0.147 8.420 8.310 -0.061 0.000 0.456 12 I N 5.018 125.556 120.570 -0.052 0.000 2.396 12 I HA 0.248 4.506 4.170 -0.109 -0.154 0.292 12 I C -0.054 176.032 176.117 -0.052 0.000 0.999 12 I CA -0.246 61.004 61.300 -0.082 0.000 1.310 12 I CB 1.476 39.411 38.000 -0.108 0.000 1.404 12 I HN 0.066 8.263 8.210 -0.021 0.000 0.496 13 S N 7.228 122.897 115.700 -0.051 0.000 2.640 13 S HA 0.193 4.647 4.470 -0.027 0.000 0.320 13 S C -0.218 174.368 174.600 -0.023 0.000 1.097 13 S CA -0.954 57.226 58.200 -0.033 0.000 1.092 13 S CB 1.010 64.188 63.200 -0.037 0.000 0.988 13 S HN -0.171 8.102 8.310 -0.061 0.000 0.470 14 G N 7.798 116.590 108.800 -0.014 0.000 2.601 14 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.306 14 G HA3 -0.410 3.549 3.960 -0.002 0.000 0.306 14 G C -0.537 174.367 174.900 0.006 0.000 1.172 14 G CA 1.596 46.694 45.100 -0.003 0.000 0.966 14 G HN 0.581 8.862 8.290 -0.015 0.000 0.542 15 T N 5.614 120.179 114.554 0.018 0.000 3.308 15 T HA 0.141 4.527 4.350 0.060 0.000 0.270 15 T C -1.779 172.956 174.700 0.059 0.000 0.992 15 T CA -0.188 61.944 62.100 0.052 0.000 0.931 15 T CB 0.293 69.197 68.868 0.060 0.000 1.142 15 T HN -0.005 8.243 8.240 0.013 0.000 0.525 16 S N 1.045 116.748 115.700 0.006 0.000 2.566 16 S HA 0.949 5.697 4.470 0.031 -0.259 0.298 16 S C -1.763 172.781 174.600 -0.094 0.000 1.083 16 S CA -2.996 55.196 58.200 -0.014 0.000 0.978 16 S CB 2.477 65.661 63.200 -0.028 0.000 1.073 16 S HN -0.574 7.558 8.310 -0.015 0.169 0.491 17 V N 2.736 122.574 119.914 -0.128 0.000 2.532 17 V HA 0.172 4.161 4.120 -0.218 0.000 0.294 17 V C -2.375 173.603 176.094 -0.193 0.000 1.036 17 V CA -0.375 61.782 62.300 -0.237 0.000 0.876 17 V CB 2.221 33.739 31.823 -0.509 0.000 1.012 17 V HN -0.014 8.105 8.190 -0.072 0.027 0.432 18 E N 9.088 129.202 120.200 -0.143 0.000 2.092 18 E HA 0.319 4.785 4.350 -0.153 -0.207 0.271 18 E C -1.450 175.130 176.600 -0.034 0.000 0.919 18 E CA -1.918 54.420 56.400 -0.104 0.000 0.760 18 E CB 1.478 31.132 29.700 -0.077 0.000 1.106 18 E HN -0.043 8.242 8.360 -0.125 0.000 0.408 19 L N 7.029 128.224 121.223 -0.047 0.000 2.317 19 L HA 0.684 5.261 4.340 0.068 -0.196 0.281 19 L C 0.152 177.193 176.870 0.285 0.000 1.024 19 L CA -2.121 52.791 54.840 0.119 0.000 0.810 19 L CB 1.795 43.964 42.059 0.184 0.000 1.240 19 L HN 0.078 8.124 8.230 -0.188 0.071 0.427 20 T N 4.355 119.010 114.554 0.169 0.000 2.733 20 T HA 0.382 4.833 4.350 -0.220 -0.234 0.294 20 T C 0.284 174.915 174.700 -0.114 0.000 0.956 20 T CA -0.301 61.738 62.100 -0.102 0.000 0.987 20 T CB -0.224 68.461 68.868 -0.305 0.000 0.920 20 T HN -0.053 8.148 8.240 0.120 0.111 0.470 21 c N 7.753 126.294 118.600 -0.098 0.000 2.550 21 c HA -0.042 3.868 4.570 -1.101 0.000 0.406 21 c C 0.018 173.686 174.090 -0.703 0.000 1.366 21 c CA -0.701 55.224 56.329 -0.673 0.000 1.712 21 c CB 0.432 42.593 42.510 -0.582 0.000 2.613 21 c HN 0.914 9.292 8.230 0.247 0.000 0.608 22 P HA -0.044 4.188 4.420 -0.499 -0.112 0.286 22 P C -1.923 175.128 177.300 -0.414 0.000 1.577 22 P CA 0.364 63.078 63.100 -0.645 0.000 0.805 22 P CB -2.128 29.153 31.700 -0.698 0.000 1.706 23 L N -6.829 114.177 121.223 -0.361 0.000 2.828 23 L HA 0.296 4.517 4.340 -0.199 0.000 0.264 23 L C -2.153 174.608 176.870 -0.182 0.000 1.106 23 L CA -0.909 53.788 54.840 -0.239 0.000 0.955 23 L CB 1.602 43.515 42.059 -0.243 0.000 1.558 23 L HN -0.603 7.260 8.230 -0.396 0.129 0.386 24 D N -0.608 119.717 120.400 -0.124 0.000 2.361 24 D HA 0.079 4.672 4.640 -0.079 0.000 0.239 24 D C -0.485 175.775 176.300 -0.067 0.000 1.200 24 D CA 0.650 54.601 54.000 -0.082 0.000 0.915 24 D CB 1.162 41.929 40.800 -0.056 0.000 1.170 24 D HN -0.098 8.203 8.370 -0.115 0.000 0.444 25 S N -0.807 114.874 115.700 -0.032 0.000 2.533 25 S HA -0.159 4.320 4.470 0.016 0.000 0.282 25 S C -0.997 173.616 174.600 0.021 0.000 1.304 25 S CA 0.835 59.041 58.200 0.009 0.000 1.063 25 S CB 0.589 63.809 63.200 0.034 0.000 0.881 25 S HN 0.042 8.337 8.310 -0.026 0.000 0.493 26 D N 5.228 125.656 120.400 0.046 0.000 2.391 26 D HA 0.127 4.784 4.640 0.027 0.000 0.245 26 D C 0.118 176.467 176.300 0.081 0.000 1.069 26 D CA -0.656 53.373 54.000 0.048 0.000 0.831 26 D CB 2.778 43.602 40.800 0.040 0.000 1.204 26 D HN 0.168 8.579 8.370 0.069 0.000 0.503 27 E N 3.962 124.192 120.200 0.050 0.000 2.233 27 E HA -0.321 4.062 4.350 0.054 0.000 0.199 27 E C -0.119 176.491 176.600 0.018 0.000 1.004 27 E CA 2.308 58.731 56.400 0.038 0.000 0.819 27 E CB 0.100 29.805 29.700 0.008 0.000 0.738 27 E HN 0.612 8.991 8.360 0.032 0.000 0.478 28 N N -3.056 115.663 118.700 0.032 0.000 2.338 28 N HA 0.102 4.708 4.740 -0.223 0.000 0.251 28 N C -1.026 174.633 175.510 0.247 0.000 1.199 28 N CA -0.517 52.536 53.050 0.005 0.000 0.879 28 N CB 1.478 39.955 38.487 -0.018 0.000 1.159 28 N HN -0.590 7.769 8.380 0.045 0.048 0.514 29 L N 4.386 125.779 121.223 0.283 0.000 2.698 29 L HA -0.203 4.330 4.340 0.130 -0.115 0.272 29 L C -1.866 175.215 176.870 0.351 0.000 1.154 29 L CA 0.700 55.685 54.840 0.241 0.000 0.964 29 L CB -0.229 41.951 42.059 0.201 0.000 1.272 29 L HN 0.500 8.683 8.230 0.235 0.188 0.483 30 K N 6.126 126.672 120.400 0.243 0.000 2.276 30 K HA 0.117 4.468 4.320 0.051 0.000 0.285 30 K C -0.843 175.806 176.600 0.082 0.000 1.062 30 K CA -0.223 56.168 56.287 0.173 0.000 0.918 30 K CB 0.336 32.965 32.500 0.216 0.000 1.055 30 K HN 0.754 9.024 8.250 0.184 0.090 0.477 31 W N 4.294 125.558 121.300 -0.060 0.000 2.260 31 W HA 0.174 4.959 4.660 0.047 -0.097 0.366 31 W C -0.343 176.216 176.519 0.067 0.000 1.315 31 W CA 0.058 57.419 57.345 0.026 0.000 1.458 31 W CB 2.674 32.145 29.460 0.017 0.000 1.255 31 W HN 0.550 8.849 8.180 0.198 0.000 0.671 32 E N -3.321 117.100 120.200 0.368 0.000 2.390 32 E HA 0.630 5.252 4.350 0.155 -0.179 0.277 32 E C -1.508 175.107 176.600 0.024 0.000 0.939 32 E CA -1.384 55.124 56.400 0.181 0.000 0.769 32 E CB 5.132 34.910 29.700 0.129 0.000 1.251 32 E HN 0.457 9.127 8.360 0.518 0.000 0.450 33 K N 0.764 121.063 120.400 -0.169 0.000 2.541 33 K HA 0.510 3.867 4.320 -1.605 0.000 0.250 33 K C -0.332 176.056 176.600 -0.353 0.000 0.950 33 K CA -1.102 54.778 56.287 -0.680 0.000 0.805 33 K CB 2.136 34.419 32.500 -0.362 0.000 1.166 33 K HN 0.762 8.909 8.250 -0.050 0.073 0.430 34 N N 5.463 123.955 118.700 -0.348 0.000 2.681 34 N HA -0.394 4.338 4.740 -0.013 0.000 0.250 34 N C -0.559 174.937 175.510 -0.023 0.000 1.133 34 N CA 1.272 54.265 53.050 -0.095 0.000 0.732 34 N CB -1.499 36.935 38.487 -0.088 0.000 1.107 34 N HN 1.085 9.127 8.380 -0.563 0.000 0.559 35 G N -6.329 102.481 108.800 0.017 0.000 2.140 35 G HA2 -0.456 3.604 3.960 0.166 0.000 0.211 35 G HA3 -0.456 3.532 3.960 0.046 0.000 0.211 35 G C -1.326 173.597 174.900 0.039 0.000 1.013 35 G CA -0.174 44.970 45.100 0.073 0.000 0.705 35 G HN 0.337 8.580 8.290 -0.006 0.044 0.508 36 Q N -0.644 119.166 119.800 0.016 0.000 2.275 36 Q HA 0.192 4.550 4.340 0.030 0.000 0.266 36 Q C -1.127 174.901 176.000 0.047 0.000 1.002 36 Q CA -0.954 54.862 55.803 0.023 0.000 0.761 36 Q CB 3.176 31.917 28.738 0.004 0.000 1.255 36 Q HN -0.424 7.800 8.270 -0.015 0.037 0.446 37 E N 5.820 126.058 120.200 0.064 0.000 2.383 37 E HA 0.174 4.806 4.350 0.119 -0.210 0.264 37 E C -0.314 176.338 176.600 0.087 0.000 1.050 37 E CA 0.411 56.866 56.400 0.091 0.000 0.896 37 E CB 0.907 30.659 29.700 0.085 0.000 0.982 37 E HN 0.354 8.746 8.360 0.053 0.000 0.424 38 L N 0.569 121.850 121.223 0.097 0.000 2.417 38 L HA 0.573 4.955 4.340 0.071 0.000 0.259 38 L C -1.648 175.238 176.870 0.027 0.000 1.023 38 L CA -3.446 51.436 54.840 0.071 0.000 0.901 38 L CB 0.798 42.907 42.059 0.083 0.000 1.227 38 L HN -0.129 8.174 8.230 0.122 0.000 0.454 39 P HA 0.160 4.760 4.420 0.300 0.000 0.235 39 P C -1.310 176.171 177.300 0.302 0.000 1.765 39 P CA 0.179 63.448 63.100 0.282 0.000 1.034 39 P CB -0.745 31.115 31.700 0.266 0.000 1.984 40 Q N -0.282 119.589 119.800 0.118 0.000 2.462 40 Q HA 0.123 4.566 4.340 0.170 0.000 0.194 40 Q C -0.478 175.610 176.000 0.148 0.000 0.694 40 Q CA 0.676 56.557 55.803 0.131 0.000 0.873 40 Q CB 2.469 31.238 28.738 0.052 0.000 1.261 40 Q HN 0.392 8.542 8.270 -0.110 0.055 0.531 41 K N 0.325 120.722 120.400 -0.006 0.000 2.414 41 K HA 0.254 4.634 4.320 0.100 0.000 0.251 41 K C -0.811 175.767 176.600 -0.037 0.000 1.037 41 K CA -0.865 55.423 56.287 0.003 0.000 0.980 41 K CB -0.737 31.703 32.500 -0.100 0.000 1.280 41 K HN 0.008 8.207 8.250 -0.086 0.000 0.451 42 H N 5.984 125.119 119.070 0.108 0.000 2.727 42 H HA 0.301 5.227 4.556 0.345 -0.163 0.312 42 H C -1.224 174.218 175.328 0.189 0.000 1.204 42 H CA -0.411 55.759 56.048 0.202 0.000 1.122 42 H CB -0.994 28.853 29.762 0.143 0.000 1.453 42 H HN 0.365 8.926 8.280 0.468 0.000 0.514 43 D N 0.413 120.940 120.400 0.211 0.000 2.229 43 D HA 0.225 4.969 4.640 0.173 0.000 0.249 43 D C 0.497 176.960 176.300 0.272 0.000 1.027 43 D CA -0.467 53.641 54.000 0.179 0.000 0.923 43 D CB 2.438 43.291 40.800 0.088 0.000 1.174 43 D HN -0.761 7.571 8.370 0.092 0.093 0.443 44 K N 0.642 121.156 120.400 0.189 0.000 2.218 44 K HA -0.392 4.022 4.320 0.157 0.000 0.205 44 K C -0.926 175.714 176.600 0.067 0.000 1.046 44 K CA 2.899 59.248 56.287 0.103 0.000 0.933 44 K CB 0.263 32.725 32.500 -0.064 0.000 0.728 44 K HN 0.477 8.815 8.250 0.146 0.000 0.454 45 H N -4.806 114.344 119.070 0.134 0.000 2.458 45 H HA 0.389 5.207 4.556 0.106 -0.198 0.330 45 H C -0.595 174.557 175.328 -0.292 0.000 1.111 45 H CA -1.018 55.036 56.048 0.010 0.000 1.245 45 H CB 1.858 31.600 29.762 -0.033 0.000 1.456 45 H HN -0.766 7.603 8.280 0.200 0.031 0.488 46 L N 5.455 126.392 121.223 -0.476 0.000 2.321 46 L HA 0.324 4.100 4.340 -0.941 0.000 0.272 46 L C -1.842 174.757 176.870 -0.452 0.000 1.050 46 L CA -1.209 53.072 54.840 -0.931 0.000 0.893 46 L CB 0.356 41.246 42.059 -1.949 0.000 1.272 46 L HN 1.019 9.026 8.230 -0.252 0.072 0.435 47 V N 7.594 127.337 119.914 -0.285 0.000 2.530 47 V HA 0.036 4.130 4.120 -0.164 -0.073 0.282 47 V C -0.646 175.359 176.094 -0.148 0.000 1.048 47 V CA -0.366 61.828 62.300 -0.176 0.000 0.997 47 V CB 0.211 31.962 31.823 -0.121 0.000 0.987 47 V HN 0.059 8.087 8.190 -0.271 0.000 0.477 48 L N 8.256 129.422 121.223 -0.094 0.000 2.324 48 L HA 0.265 4.594 4.340 -0.018 0.000 0.274 48 L C -1.228 175.674 176.870 0.052 0.000 1.012 48 L CA -1.378 53.466 54.840 0.006 0.000 0.859 48 L CB 0.484 42.621 42.059 0.130 0.000 1.224 48 L HN 0.473 8.589 8.230 -0.106 0.050 0.429 49 Q N 3.772 123.585 119.800 0.023 0.000 2.352 49 Q HA -0.071 4.283 4.340 0.023 0.000 0.260 49 Q C -0.005 176.026 176.000 0.052 0.000 0.976 49 Q CA 0.842 56.661 55.803 0.027 0.000 0.881 49 Q CB 0.506 29.247 28.738 0.004 0.000 1.235 49 Q HN 0.449 8.719 8.270 -0.000 0.000 0.419 50 D N -0.074 120.362 120.400 0.059 0.000 2.737 50 D HA -0.404 4.271 4.640 0.058 0.000 0.238 50 D C -1.068 175.280 176.300 0.080 0.000 1.157 50 D CA 1.101 55.135 54.000 0.057 0.000 0.694 50 D CB -0.367 40.445 40.800 0.020 0.000 1.021 50 D HN 0.178 8.578 8.370 0.050 0.000 0.420 51 F N 1.861 121.798 119.950 -0.022 0.000 2.512 51 F HA 0.007 4.784 4.527 -0.017 -0.260 0.350 51 F C -0.756 175.041 175.800 -0.005 0.000 1.212 51 F CA 0.285 58.274 58.000 -0.019 0.000 1.099 51 F CB 0.418 39.399 39.000 -0.033 0.000 1.238 51 F HN -0.215 8.241 8.300 0.261 0.000 0.600 52 S N 7.507 123.004 115.700 -0.339 0.000 2.405 52 S HA 0.129 4.551 4.470 -0.080 0.000 0.291 52 S C 0.768 175.144 174.600 -0.374 0.000 1.137 52 S CA -0.260 57.802 58.200 -0.230 0.000 1.061 52 S CB 0.237 63.338 63.200 -0.164 0.000 1.001 52 S HN -0.222 7.978 8.310 -0.348 -0.098 0.507 53 E N 5.971 126.083 120.200 -0.146 0.000 2.233 53 E HA -0.415 3.927 4.350 -0.013 0.000 0.199 53 E C 1.152 177.700 176.600 -0.086 0.000 1.004 53 E CA 2.816 59.190 56.400 -0.045 0.000 0.819 53 E CB -0.613 29.149 29.700 0.103 0.000 0.738 53 E HN 0.156 8.523 8.360 0.011 0.000 0.478 54 V N -0.066 119.798 119.914 -0.085 0.000 2.214 54 V HA -0.383 3.721 4.120 -0.027 0.000 0.247 54 V C 1.139 177.189 176.094 -0.074 0.000 1.051 54 V CA 3.470 65.735 62.300 -0.057 0.000 1.003 54 V CB -0.894 30.898 31.823 -0.052 0.000 0.635 54 V HN -0.126 7.979 8.190 -0.082 0.036 0.447 55 E N -4.626 115.504 120.200 -0.116 0.000 2.447 55 E HA 0.038 4.351 4.350 -0.061 0.000 0.204 55 E C 0.016 176.526 176.600 -0.151 0.000 0.977 55 E CA 0.230 56.570 56.400 -0.100 0.000 0.950 55 E CB 1.234 30.886 29.700 -0.080 0.000 0.975 55 E HN -0.449 7.826 8.360 -0.142 0.000 0.496 56 D N -2.272 117.927 120.400 -0.336 0.000 2.363 56 D HA -0.014 4.477 4.640 -0.249 0.000 0.226 56 D C -0.841 175.251 176.300 -0.348 0.000 1.020 56 D CA 0.696 54.361 54.000 -0.559 0.000 0.892 56 D CB 0.835 40.802 40.800 -1.388 0.000 0.900 56 D HN 0.121 8.175 8.370 -0.375 0.091 0.531 57 S N -2.050 113.580 115.700 -0.116 0.000 2.508 57 S HA 0.145 4.991 4.470 0.415 -0.127 0.284 57 S C -0.609 174.049 174.600 0.096 0.000 1.192 57 S CA -0.466 57.829 58.200 0.158 0.000 1.070 57 S CB 1.872 65.141 63.200 0.115 0.000 1.004 57 S HN -0.909 7.232 8.310 -0.155 0.076 0.493 58 G N 2.683 111.523 108.800 0.067 0.000 2.398 58 G HA2 -0.061 3.574 3.960 -0.542 0.000 0.251 58 G HA3 -0.061 3.819 3.960 -0.133 0.000 0.251 58 G C -3.402 171.230 174.900 -0.445 0.000 1.277 58 G CA 0.113 45.047 45.100 -0.276 0.000 0.927 58 G HN -0.284 8.118 8.290 0.187 0.000 0.477 59 Y N -1.864 118.297 120.300 -0.232 0.000 2.354 59 Y HA 0.649 5.396 4.550 -0.054 -0.230 0.322 59 Y C -0.367 175.506 175.900 -0.045 0.000 1.253 59 Y CA -0.095 57.950 58.100 -0.093 0.000 1.272 59 Y CB 2.409 40.821 38.460 -0.081 0.000 1.255 59 Y HN -0.048 8.202 8.280 -0.050 0.000 0.500 60 Y N -2.273 118.125 120.300 0.162 0.000 2.513 60 Y HA 0.304 5.103 4.550 0.158 -0.155 0.340 60 Y C -1.736 174.058 175.900 -0.177 0.000 1.055 60 Y CA -0.640 57.506 58.100 0.077 0.000 1.020 60 Y CB 4.743 43.267 38.460 0.107 0.000 1.301 60 Y HN 0.244 8.697 8.280 0.313 0.015 0.453 61 V N 0.341 120.249 119.914 -0.009 0.000 3.258 61 V HA 0.617 4.464 4.120 -0.454 0.000 0.299 61 V C -2.912 172.968 176.094 -0.356 0.000 1.376 61 V CA -2.208 59.906 62.300 -0.310 0.000 1.063 61 V CB 4.669 36.209 31.823 -0.473 0.000 1.103 61 V HN -0.166 8.119 8.190 0.158 0.000 0.451 62 c N -1.104 117.075 118.600 -0.702 0.000 3.171 62 c HA 0.952 5.397 4.570 -0.481 -0.164 0.308 62 c C -2.036 171.466 174.090 -0.980 0.000 1.334 62 c CA -3.164 52.667 56.329 -0.830 0.000 1.473 62 c CB 3.217 44.844 42.510 -1.472 0.000 1.866 62 c HN 0.236 8.051 8.230 -0.691 0.000 0.465 63 Y N -3.394 116.747 120.300 -0.264 0.000 2.638 63 Y HA 0.329 4.766 4.550 -0.189 0.000 0.335 63 Y C -1.380 174.461 175.900 -0.099 0.000 1.155 63 Y CA -0.486 57.514 58.100 -0.167 0.000 1.046 63 Y CB 4.500 42.887 38.460 -0.121 0.000 1.303 63 Y HN 1.004 9.064 8.280 -0.171 0.118 0.460 64 T N -2.732 111.882 114.554 0.099 0.000 2.888 64 T HA 0.618 5.016 4.350 0.079 0.000 0.288 64 T C -1.858 172.876 174.700 0.057 0.000 1.063 64 T CA -3.984 58.152 62.100 0.060 0.000 1.010 64 T CB 1.499 70.372 68.868 0.008 0.000 1.214 64 T HN 0.025 8.342 8.240 0.127 0.000 0.533 65 P HA 0.022 4.456 4.420 0.023 0.000 0.237 65 P C -1.388 175.919 177.300 0.012 0.000 1.178 65 P CA 0.819 63.932 63.100 0.023 0.000 0.766 65 P CB 0.113 31.823 31.700 0.017 0.000 0.876 66 A N -2.838 119.988 122.820 0.010 0.000 2.427 66 A HA 0.192 4.512 4.320 -0.000 0.000 0.225 66 A C -0.675 176.909 177.584 -0.001 0.000 1.257 66 A CA -0.070 51.967 52.037 0.001 0.000 0.985 66 A CB 1.581 20.579 19.000 -0.004 0.000 1.136 66 A HN -0.506 7.587 8.150 0.013 0.066 0.538 67 S N -0.045 115.658 115.700 0.004 0.000 2.601 67 S HA 0.074 4.537 4.470 -0.012 0.000 0.312 67 S C -1.538 173.092 174.600 0.049 0.000 1.107 67 S CA -1.057 57.141 58.200 -0.004 0.000 1.129 67 S CB 0.533 63.706 63.200 -0.045 0.000 0.982 67 S HN 0.110 8.325 8.310 0.012 0.102 0.469 68 N N 5.184 123.920 118.700 0.060 0.000 2.511 68 N HA 0.096 5.052 4.740 0.361 0.000 0.249 68 N C -1.226 174.358 175.510 0.124 0.000 0.971 68 N CA -0.046 53.093 53.050 0.149 0.000 0.938 68 N CB 1.670 40.175 38.487 0.030 0.000 1.131 68 N HN 0.390 8.784 8.380 0.024 0.000 0.505 69 K N 4.500 125.015 120.400 0.193 0.000 2.535 69 K HA 0.220 4.546 4.320 0.010 0.000 0.253 69 K C -1.594 175.052 176.600 0.076 0.000 0.953 69 K CA -0.926 55.384 56.287 0.038 0.000 0.863 69 K CB 2.491 34.931 32.500 -0.101 0.000 1.111 69 K HN 0.146 8.584 8.250 0.314 0.000 0.431 70 N N 6.243 124.932 118.700 -0.018 0.000 2.399 70 N HA -0.144 4.595 4.740 -0.002 0.000 0.284 70 N C -1.158 174.114 175.510 -0.396 0.000 1.283 70 N CA 1.087 54.017 53.050 -0.200 0.000 0.972 70 N CB 0.452 38.712 38.487 -0.377 0.000 1.328 70 N HN 0.397 8.753 8.380 -0.040 0.000 0.486 71 T N 2.814 117.157 114.554 -0.352 0.000 2.991 71 T HA 0.575 5.104 4.350 -0.180 -0.287 0.303 71 T C -1.507 172.992 174.700 -0.335 0.000 1.015 71 T CA -1.578 60.379 62.100 -0.239 0.000 1.007 71 T CB 2.265 71.081 68.868 -0.087 0.000 1.034 71 T HN -0.470 7.573 8.240 -0.329 0.000 0.446 72 Y N 6.436 126.728 120.300 -0.013 0.000 2.487 72 Y HA 0.126 4.649 4.550 -0.046 0.000 0.337 72 Y C -2.055 173.864 175.900 0.032 0.000 1.076 72 Y CA -1.141 56.977 58.100 0.031 0.000 1.115 72 Y CB 4.485 43.036 38.460 0.152 0.000 1.235 72 Y HN 0.058 8.491 8.280 0.254 0.000 0.468 73 L N 0.436 121.737 121.223 0.130 0.000 2.406 73 L HA 0.727 5.404 4.340 0.168 -0.236 0.272 73 L C -2.095 174.926 176.870 0.252 0.000 0.980 73 L CA -1.109 53.779 54.840 0.080 0.000 0.831 73 L CB 3.759 45.580 42.059 -0.397 0.000 1.253 73 L HN 0.233 8.553 8.230 0.151 0.000 0.406 74 Y N 8.112 128.525 120.300 0.189 0.000 2.600 74 Y HA 0.128 4.622 4.550 -0.338 -0.146 0.351 74 Y C -1.843 174.075 175.900 0.029 0.000 1.042 74 Y CA -1.503 56.568 58.100 -0.049 0.000 1.333 74 Y CB -0.302 38.173 38.460 0.025 0.000 1.172 74 Y HN 0.744 9.210 8.280 0.484 0.105 0.517 75 L N 8.470 129.864 121.223 0.285 0.000 2.260 75 L HA 0.342 4.966 4.340 0.277 -0.118 0.289 75 L C -2.155 174.842 176.870 0.212 0.000 1.057 75 L CA -0.464 54.518 54.840 0.237 0.000 0.811 75 L CB 1.528 43.673 42.059 0.143 0.000 1.184 75 L HN 0.439 8.791 8.230 0.203 0.000 0.429 76 K N 6.660 127.101 120.400 0.069 0.000 2.621 76 K HA 0.337 4.749 4.320 0.153 0.000 0.233 76 K C -2.289 174.308 176.600 -0.004 0.000 0.972 76 K CA -1.001 55.281 56.287 -0.008 0.000 0.988 76 K CB 2.549 34.798 32.500 -0.418 0.000 1.187 76 K HN 0.125 8.415 8.250 0.067 0.000 0.471 77 A N 4.128 127.001 122.820 0.089 0.000 2.346 77 A HA 0.233 4.534 4.320 -0.031 0.000 0.313 77 A C -1.548 176.128 177.584 0.154 0.000 1.140 77 A CA -1.137 50.897 52.037 -0.005 0.000 0.826 77 A CB 2.236 21.019 19.000 -0.362 0.000 1.332 77 A HN 0.223 8.567 8.150 0.323 0.000 0.457 78 R N 0.157 120.710 120.500 0.089 0.000 2.473 78 R HA 0.246 4.676 4.340 0.149 0.000 0.303 78 R C -1.506 174.850 176.300 0.094 0.000 1.002 78 R CA -0.401 55.764 56.100 0.108 0.000 0.884 78 R CB 0.525 30.860 30.300 0.058 0.000 1.173 78 R HN 0.221 8.509 8.270 0.030 0.000 0.464 79 V N 2.946 122.938 119.914 0.129 0.000 2.610 79 V HA 0.404 4.560 4.120 0.061 0.000 0.298 79 V C -2.373 173.767 176.094 0.078 0.000 1.067 79 V CA -1.112 61.244 62.300 0.093 0.000 0.894 79 V CB 2.263 34.154 31.823 0.114 0.000 1.015 79 V HN 0.165 8.457 8.190 0.170 0.000 0.432 80 G N 4.876 113.705 108.800 0.049 0.000 3.418 80 G HA2 0.283 4.264 3.960 0.034 0.000 0.179 80 G HA3 0.283 4.261 3.960 0.029 0.000 0.179 80 G C -1.810 173.105 174.900 0.024 0.000 1.212 80 G CA -0.162 44.959 45.100 0.034 0.000 0.935 80 G HN 0.028 8.343 8.290 0.042 0.000 0.716 81 S N -0.733 114.977 115.700 0.018 0.000 2.543 81 S HA 0.058 4.536 4.470 0.014 0.000 0.273 81 S C -1.645 172.962 174.600 0.011 0.000 1.152 81 S CA -0.615 57.593 58.200 0.013 0.000 0.910 81 S CB 2.451 65.657 63.200 0.011 0.000 1.105 81 S HN -0.206 8.115 8.310 0.017 0.000 0.465 82 A N 4.340 127.165 122.820 0.010 0.000 2.444 82 A HA 0.103 4.429 4.320 0.009 0.000 0.273 82 A C -0.337 177.251 177.584 0.007 0.000 1.136 82 A CA 0.258 52.300 52.037 0.008 0.000 0.799 82 A CB -0.431 18.573 19.000 0.007 0.000 1.081 82 A HN 0.378 8.533 8.150 0.009 0.000 0.509 83 D N 0.674 121.078 120.400 0.006 0.000 4.111 83 D HA -0.384 4.259 4.640 0.005 0.000 0.290 83 D C -1.115 175.188 176.300 0.005 0.000 2.255 83 D CA 0.899 54.902 54.000 0.005 0.000 1.109 83 D CB 0.066 40.869 40.800 0.004 0.000 1.034 83 D HN 0.408 8.782 8.370 0.007 0.000 1.222 84 D N -2.408 117.994 120.400 0.004 0.000 2.487 84 D HA 0.009 4.652 4.640 0.004 0.000 0.262 84 D C -0.586 175.715 176.300 0.003 0.000 1.130 84 D CA -0.562 53.440 54.000 0.003 0.000 1.038 84 D CB 1.228 42.029 40.800 0.003 0.000 1.142 84 D HN -0.237 8.135 8.370 0.004 0.000 0.575 85 A N -1.113 121.708 122.820 0.003 0.000 1.649 85 A HA -0.002 4.319 4.320 0.002 0.000 0.176 85 A C -0.649 176.936 177.584 0.002 0.000 1.524 85 A CA 0.209 52.248 52.037 0.002 0.000 1.448 85 A CB -0.004 18.998 19.000 0.003 0.000 1.334 85 A HN 0.423 8.574 8.150 0.003 0.000 0.693 86 K N 0.378 120.779 120.400 0.002 0.000 2.706 86 K HA 0.091 4.412 4.320 0.001 0.000 0.290 86 K C -1.043 175.558 176.600 0.001 0.000 1.063 86 K CA 0.011 56.299 56.287 0.001 0.000 0.967 86 K CB 0.345 32.846 32.500 0.001 0.000 1.157 86 K HN -0.194 8.057 8.250 0.002 0.000 0.476 87 K N -0.894 119.506 120.400 0.001 0.000 2.532 87 K HA 0.109 4.429 4.320 0.001 0.000 0.265 87 K C -2.191 174.409 176.600 0.001 0.000 0.948 87 K CA -0.485 55.803 56.287 0.001 0.000 0.842 87 K CB 1.530 34.031 32.500 0.001 0.000 1.392 87 K HN -0.196 8.054 8.250 0.001 0.000 0.436 88 D N 1.161 121.562 120.400 0.001 0.000 2.365 88 D HA 0.217 4.858 4.640 0.000 0.000 0.235 88 D C -0.263 176.037 176.300 0.000 0.000 1.368 88 D CA 0.021 54.021 54.000 0.000 0.000 1.001 88 D CB 0.960 41.760 40.800 0.000 0.000 1.364 88 D HN 0.122 8.492 8.370 0.001 0.000 0.577 89 A N 3.226 126.046 122.820 0.000 0.000 2.019 89 A HA -0.154 4.167 4.320 0.000 0.000 0.219 89 A C 0.798 178.382 177.584 0.000 0.000 1.164 89 A CA 1.387 53.424 52.037 0.000 0.000 0.644 89 A CB 0.086 19.086 19.000 0.000 0.000 0.805 89 A HN 0.202 8.352 8.150 0.000 0.000 0.449 90 A N -1.754 121.066 122.820 0.000 0.000 3.030 90 A HA -0.015 4.305 4.320 0.000 0.000 0.273 90 A C -0.568 177.016 177.584 -0.000 0.000 1.841 90 A CA 0.009 52.046 52.037 -0.000 0.000 1.479 90 A CB -1.505 17.495 19.000 -0.000 0.000 1.048 90 A HN -0.135 7.987 8.150 0.000 0.028 0.612 91 K N 2.819 123.219 120.400 -0.000 0.000 2.526 91 K HA 0.157 4.477 4.320 -0.000 0.000 0.214 91 K C -0.229 176.371 176.600 -0.000 0.000 1.088 91 K CA -0.431 55.856 56.287 -0.000 0.000 1.058 91 K CB -1.258 31.242 32.500 0.000 0.000 1.653 91 K HN 0.126 8.340 8.250 0.000 0.036 0.521 92 K N 1.039 121.439 120.400 -0.000 0.000 2.102 92 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 92 K C -0.627 175.973 176.600 -0.000 0.000 1.027 92 K CA 0.369 56.656 56.287 -0.000 0.000 0.958 92 K CB 0.382 32.882 32.500 -0.000 0.000 0.819 92 K HN 0.058 8.308 8.250 -0.001 0.000 0.453 93 D N 0.285 120.685 120.400 -0.001 0.000 3.082 93 D HA -0.185 4.454 4.640 -0.002 0.000 0.234 93 D C -1.579 174.720 176.300 -0.001 0.000 1.159 93 D CA 0.445 54.444 54.000 -0.001 0.000 0.875 93 D CB 0.075 40.874 40.800 -0.001 0.000 0.946 93 D HN -0.089 8.280 8.370 -0.001 0.000 0.411 94 D N -0.495 119.905 120.400 -0.001 0.000 2.317 94 D HA 0.053 4.693 4.640 -0.000 0.000 0.234 94 D C -0.263 176.037 176.300 -0.001 0.000 1.112 94 D CA -0.272 53.728 54.000 -0.000 0.000 0.840 94 D CB 0.402 41.202 40.800 -0.000 0.000 1.078 94 D HN 0.057 8.426 8.370 -0.001 0.000 0.486 95 A N 5.184 128.004 122.820 -0.000 0.000 2.643 95 A HA 0.200 4.520 4.320 -0.001 0.000 0.295 95 A C -0.705 176.879 177.584 0.000 0.000 1.065 95 A CA -0.615 51.422 52.037 -0.000 0.000 0.986 95 A CB 0.672 19.672 19.000 -0.000 0.000 1.212 95 A HN 0.428 8.578 8.150 -0.000 0.000 0.516 96 K N -0.352 120.049 120.400 0.000 0.000 2.296 96 K HA -0.138 4.182 4.320 0.001 0.000 0.200 96 K C -0.395 176.205 176.600 0.000 0.000 1.048 96 K CA 1.007 57.294 56.287 0.000 0.000 0.966 96 K CB 0.635 33.135 32.500 0.000 0.000 0.754 96 K HN -0.526 7.886 8.250 0.000 -0.162 0.466 97 K N -0.528 119.872 120.400 0.000 0.000 2.347 97 K HA 0.115 4.436 4.320 0.000 0.000 0.262 97 K C -1.270 175.331 176.600 0.000 0.000 1.052 97 K CA -0.368 55.919 56.287 0.000 0.000 0.946 97 K CB -0.914 31.587 32.500 0.000 0.000 1.220 97 K HN -0.248 7.974 8.250 0.000 0.028 0.450 98 D N 2.024 122.425 120.400 0.000 0.000 2.350 98 D HA 0.146 4.786 4.640 0.000 0.000 0.245 98 D C -0.505 175.795 176.300 0.000 0.000 1.036 98 D CA -0.340 53.660 54.000 0.000 0.000 0.848 98 D CB 1.699 42.499 40.800 0.001 0.000 1.307 98 D HN -0.023 8.347 8.370 0.000 0.000 0.469 99 D N 0.711 121.111 120.400 0.000 0.000 2.379 99 D HA -0.033 4.607 4.640 0.000 0.000 0.218 99 D C -0.214 176.086 176.300 0.000 0.000 1.006 99 D CA 0.362 54.362 54.000 0.000 0.000 0.893 99 D CB 0.601 41.401 40.800 0.000 0.000 1.019 99 D HN 0.462 8.832 8.370 0.000 0.000 0.503 100 A N 0.145 122.965 122.820 0.001 0.000 2.365 100 A HA 0.250 4.571 4.320 0.001 0.000 0.318 100 A C -0.461 177.124 177.584 0.002 0.000 1.091 100 A CA -0.240 51.797 52.037 0.001 0.000 0.763 100 A CB 1.114 20.114 19.000 0.001 0.000 1.248 100 A HN -0.524 7.627 8.150 0.000 0.000 0.442 101 K N -0.558 119.843 120.400 0.002 0.000 2.706 101 K HA 0.047 4.369 4.320 0.003 0.000 0.203 101 K C -0.292 176.311 176.600 0.004 0.000 1.102 101 K CA 0.553 56.841 56.287 0.003 0.000 1.058 101 K CB 0.407 32.909 32.500 0.003 0.000 0.779 101 K HN 0.175 8.426 8.250 0.002 0.000 0.483 102 K N 0.450 120.852 120.400 0.005 0.000 3.360 102 K HA 0.175 4.500 4.320 0.008 0.000 0.179 102 K C -1.742 174.862 176.600 0.007 0.000 1.034 102 K CA 0.219 56.510 56.287 0.006 0.000 0.938 102 K CB 0.382 32.885 32.500 0.005 0.000 0.696 102 K HN -0.461 7.791 8.250 0.004 0.000 0.437 103 D N -1.727 118.677 120.400 0.008 0.000 2.882 103 D HA -0.215 4.430 4.640 0.007 0.000 0.229 103 D C -0.317 175.986 176.300 0.005 0.000 1.167 103 D CA 1.231 55.236 54.000 0.008 0.000 0.759 103 D CB -0.262 40.547 40.800 0.015 0.000 1.088 103 D HN 0.203 8.577 8.370 0.007 0.000 0.425 104 G N -3.321 105.481 108.800 0.003 0.000 2.327 104 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.159 104 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.159 104 G C -1.755 173.145 174.900 -0.000 0.000 1.056 104 G CA -0.573 44.527 45.100 0.001 0.000 0.751 104 G HN -0.201 8.060 8.290 0.003 0.031 0.488 105 S N -1.844 113.856 115.700 0.001 0.000 3.109 105 S HA -0.319 4.151 4.470 0.001 0.000 0.632 105 S C -0.931 173.669 174.600 -0.000 0.000 2.927 105 S CA 1.581 59.781 58.200 0.000 0.000 3.233 105 S CB 0.466 63.665 63.200 -0.001 0.000 0.325 105 S HN -0.258 8.053 8.310 0.002 0.000 1.720 106 Q N -2.098 117.701 119.800 -0.002 0.000 2.217 106 Q HA 0.193 4.532 4.340 -0.003 0.000 0.340 106 Q C 0.336 176.332 176.000 -0.006 0.000 0.893 106 Q CA -0.025 55.776 55.803 -0.003 0.000 1.142 106 Q CB -0.013 28.724 28.738 -0.002 0.000 1.288 106 Q HN 0.144 8.412 8.270 -0.002 0.000 0.426 107 T N -0.177 114.373 114.554 -0.007 0.000 2.985 107 T HA -0.220 4.125 4.350 -0.008 0.000 0.266 107 T C 0.219 174.911 174.700 -0.013 0.000 1.076 107 T CA 1.466 63.560 62.100 -0.009 0.000 1.135 107 T CB 0.549 69.412 68.868 -0.008 0.000 0.890 107 T HN 0.047 8.284 8.240 -0.006 0.000 0.480 108 N N -1.810 116.882 118.700 -0.015 0.000 3.127 108 N HA 0.088 4.814 4.740 -0.023 0.000 0.239 108 N C -1.769 173.727 175.510 -0.025 0.000 1.407 108 N CA 0.092 53.128 53.050 -0.022 0.000 0.891 108 N CB 1.375 39.847 38.487 -0.024 0.000 1.447 108 N HN -0.325 8.048 8.380 -0.013 0.000 0.507 109 K N -0.946 119.433 120.400 -0.035 0.000 2.797 109 K HA 0.209 4.510 4.320 -0.031 0.000 0.234 109 K C -1.381 175.176 176.600 -0.071 0.000 1.805 109 K CA -0.132 56.131 56.287 -0.040 0.000 1.052 109 K CB 1.330 33.814 32.500 -0.027 0.000 2.129 109 K HN 0.131 8.357 8.250 -0.040 0.000 0.412 110 A N 0.032 122.803 122.820 -0.082 0.000 2.582 110 A HA 0.130 4.365 4.320 -0.141 0.000 0.297 110 A C -2.486 175.024 177.584 -0.124 0.000 1.059 110 A CA 0.354 52.313 52.037 -0.130 0.000 0.705 110 A CB 1.026 19.926 19.000 -0.168 0.000 1.279 110 A HN -0.322 7.788 8.150 -0.066 0.000 0.404 111 K N -1.036 119.275 120.400 -0.148 0.000 3.118 111 K HA 0.157 4.398 4.320 -0.132 0.000 0.157 111 K C -0.849 175.650 176.600 -0.169 0.000 1.043 111 K CA -0.123 56.083 56.287 -0.135 0.000 1.073 111 K CB 0.110 32.555 32.500 -0.090 0.000 0.685 111 K HN 0.214 8.364 8.250 -0.167 0.000 0.390 112 R N 1.080 121.429 120.500 -0.251 0.000 2.811 112 R HA 0.037 4.260 4.340 -0.194 0.000 0.237 112 R C 0.165 176.222 176.300 -0.405 0.000 1.231 112 R CA 0.338 56.249 56.100 -0.314 0.000 1.070 112 R CB 0.259 30.303 30.300 -0.427 0.000 1.126 112 R HN -0.186 7.916 8.270 -0.281 0.000 0.540 113 A N -1.005 121.488 122.820 -0.544 0.000 1.844 113 A HA -0.220 3.982 4.320 -0.196 0.000 0.214 113 A C 0.095 177.421 177.584 -0.430 0.000 1.217 113 A CA 2.279 54.075 52.037 -0.402 0.000 0.644 113 A CB -0.016 18.823 19.000 -0.268 0.000 0.850 113 A HN 0.125 7.930 8.150 -0.575 0.000 0.456 114 L N -3.070 117.763 121.223 -0.649 0.000 2.344 114 L HA 0.756 5.251 4.340 -0.151 -0.246 0.272 114 L C -0.720 175.966 176.870 -0.307 0.000 1.035 114 L CA -0.819 53.863 54.840 -0.264 0.000 0.807 114 L CB 2.586 44.688 42.059 0.071 0.000 1.237 114 L HN -0.511 6.944 8.230 -1.293 0.000 0.442 115 E N 3.405 123.531 120.200 -0.124 0.000 2.375 115 E HA 0.311 4.589 4.350 -0.119 0.000 0.280 115 E C -2.848 173.769 176.600 0.028 0.000 0.972 115 E CA -0.714 55.628 56.400 -0.096 0.000 0.782 115 E CB 4.556 34.156 29.700 -0.168 0.000 1.229 115 E HN 0.587 8.806 8.360 -0.068 0.100 0.439 116 V N 4.952 124.950 119.914 0.141 0.000 2.604 116 V HA 0.985 5.355 4.120 0.086 -0.198 0.305 116 V C -2.679 173.567 176.094 0.254 0.000 1.043 116 V CA -1.774 60.645 62.300 0.198 0.000 0.888 116 V CB 2.990 35.020 31.823 0.344 0.000 0.995 116 V HN 0.341 8.625 8.190 0.156 0.000 0.429 117 L N 6.117 127.433 121.223 0.155 0.000 2.350 117 L HA 0.551 5.041 4.340 0.250 0.000 0.260 117 L C -2.106 174.831 176.870 0.111 0.000 1.015 117 L CA -0.807 54.130 54.840 0.162 0.000 0.821 117 L CB 4.457 46.569 42.059 0.088 0.000 1.370 117 L HN 0.006 8.287 8.230 0.085 0.000 0.416 118 E N 2.201 122.474 120.200 0.122 0.000 2.207 118 E HA 0.683 5.252 4.350 0.030 -0.201 0.250 118 E C -1.498 175.135 176.600 0.056 0.000 0.890 118 E CA -1.067 55.375 56.400 0.071 0.000 0.749 118 E CB 0.721 30.481 29.700 0.101 0.000 1.193 118 E HN 0.301 8.756 8.360 0.159 0.000 0.423 119 A N 2.976 125.813 122.820 0.029 0.000 2.401 119 A HA 0.348 4.687 4.320 0.032 0.000 0.310 119 A C -0.899 176.692 177.584 0.010 0.000 1.075 119 A CA -1.301 50.750 52.037 0.023 0.000 0.746 119 A CB 2.364 21.375 19.000 0.019 0.000 1.277 119 A HN 0.495 8.654 8.150 0.016 0.000 0.425 120 E N 1.883 122.090 120.200 0.011 0.000 2.297 120 E HA -0.363 3.991 4.350 0.006 0.000 0.228 120 E C -0.922 175.678 176.600 -0.000 0.000 1.213 120 E CA 0.667 57.069 56.400 0.004 0.000 0.712 120 E CB -1.126 28.573 29.700 -0.001 0.000 1.202 120 E HN 0.684 9.053 8.360 0.016 0.000 0.376 121 D N -5.347 115.056 120.400 0.004 0.000 2.955 121 D HA -0.302 4.342 4.640 0.006 0.000 0.226 121 D C -1.463 174.826 176.300 -0.019 0.000 1.178 121 D CA 1.630 55.629 54.000 -0.002 0.000 0.808 121 D CB -0.050 40.748 40.800 -0.003 0.000 1.099 121 D HN 0.326 8.704 8.370 0.013 0.000 0.421 122 K N -3.589 116.798 120.400 -0.021 0.000 2.435 122 K HA 0.920 5.429 4.320 -0.056 -0.223 0.251 122 K C -2.228 174.343 176.600 -0.049 0.000 0.954 122 K CA -2.004 54.258 56.287 -0.042 0.000 0.820 122 K CB 4.119 36.599 32.500 -0.032 0.000 1.292 122 K HN -0.385 7.682 8.250 -0.009 0.177 0.436 123 V N -1.493 118.372 119.914 -0.082 0.000 2.735 123 V HA 1.082 5.410 4.120 -0.045 -0.235 0.310 123 V C -1.940 174.098 176.094 -0.094 0.000 1.061 123 V CA -2.727 59.520 62.300 -0.088 0.000 0.913 123 V CB 2.700 34.418 31.823 -0.175 0.000 1.005 123 V HN -0.062 8.071 8.190 -0.096 0.000 0.428 124 I N 2.526 123.053 120.570 -0.073 0.000 2.894 124 I HA 0.491 4.720 4.170 -0.129 -0.136 0.302 124 I C -1.730 174.324 176.117 -0.105 0.000 1.188 124 I CA -1.634 59.608 61.300 -0.097 0.000 1.014 124 I CB 5.358 43.320 38.000 -0.064 0.000 1.242 124 I HN -0.092 8.096 8.210 -0.037 0.000 0.430 125 L N 2.444 123.566 121.223 -0.168 0.000 2.282 125 L HA 0.495 4.902 4.340 -0.100 -0.127 0.288 125 L C -0.881 175.935 176.870 -0.090 0.000 1.033 125 L CA -0.984 53.756 54.840 -0.167 0.000 0.807 125 L CB 0.694 42.517 42.059 -0.395 0.000 1.209 125 L HN -0.122 8.058 8.230 -0.188 -0.063 0.423 126 K N 1.084 121.453 120.400 -0.052 0.000 2.244 126 K HA 0.825 5.285 4.320 -0.046 -0.167 0.260 126 K C -1.426 175.144 176.600 -0.049 0.000 0.951 126 K CA -1.813 54.445 56.287 -0.048 0.000 0.826 126 K CB 2.449 34.919 32.500 -0.049 0.000 1.108 126 K HN 1.123 9.231 8.250 -0.037 0.119 0.433 127 c N 3.419 121.998 118.600 -0.036 0.000 2.971 127 c HA 0.619 5.356 4.570 -0.064 -0.205 0.310 127 c C -0.469 173.601 174.090 -0.033 0.000 1.285 127 c CA -1.754 54.556 56.329 -0.032 0.000 1.593 127 c CB 3.332 45.852 42.510 0.017 0.000 2.076 127 c HN 0.086 8.298 8.230 -0.030 0.000 0.472 128 N N 1.366 120.045 118.700 -0.035 0.000 2.585 128 N HA -0.102 4.617 4.740 -0.035 0.000 0.188 128 N C -0.318 175.188 175.510 -0.008 0.000 1.102 128 N CA 2.189 55.223 53.050 -0.026 0.000 0.920 128 N CB 0.079 38.553 38.487 -0.022 0.000 0.963 128 N HN 0.324 8.680 8.380 -0.040 0.000 0.447 129 S N -4.474 111.227 115.700 0.002 0.000 3.241 129 S HA 0.037 4.509 4.470 0.003 0.000 0.305 129 S C -1.869 172.741 174.600 0.016 0.000 1.234 129 S CA -0.433 57.772 58.200 0.008 0.000 1.238 129 S CB 0.680 63.888 63.200 0.014 0.000 1.504 129 S HN -0.762 7.467 8.310 0.004 0.083 0.508 130 S N 1.937 117.650 115.700 0.021 0.000 2.593 130 S HA -0.193 4.365 4.470 0.021 -0.075 0.300 130 S C -0.994 173.632 174.600 0.043 0.000 1.267 130 S CA 0.916 59.132 58.200 0.027 0.000 1.065 130 S CB 0.063 63.280 63.200 0.029 0.000 0.807 130 S HN 0.081 8.403 8.310 0.020 0.000 0.499 131 I N 6.358 126.956 120.570 0.046 0.000 2.331 131 I HA -0.005 4.219 4.170 0.089 0.000 0.292 131 I C 0.082 176.258 176.117 0.098 0.000 0.998 131 I CA -1.013 60.333 61.300 0.076 0.000 1.267 131 I CB 0.511 38.546 38.000 0.058 0.000 1.386 131 I HN 0.036 8.267 8.210 0.034 0.000 0.476 132 T N 8.843 123.470 114.554 0.122 0.000 2.752 132 T HA -0.014 4.391 4.350 0.090 0.000 0.295 132 T C -1.058 173.734 174.700 0.154 0.000 0.923 132 T CA 0.302 62.471 62.100 0.116 0.000 1.112 132 T CB 0.672 69.604 68.868 0.106 0.000 0.884 132 T HN 0.903 9.120 8.240 0.134 0.103 0.525 133 L N 7.789 129.092 121.223 0.134 0.000 2.295 133 L HA -0.058 4.440 4.340 0.264 0.000 0.288 133 L C -0.414 176.523 176.870 0.112 0.000 1.079 133 L CA -0.591 54.349 54.840 0.166 0.000 0.830 133 L CB -1.267 40.869 42.059 0.128 0.000 1.200 133 L HN 0.589 8.881 8.230 0.102 0.000 0.438 134 L N 6.308 127.584 121.223 0.089 0.000 1.982 134 L HA -0.182 4.180 4.340 0.037 0.000 0.206 134 L C 0.155 177.042 176.870 0.029 0.000 1.078 134 L CA 1.792 56.651 54.840 0.032 0.000 0.749 134 L CB 0.567 42.613 42.059 -0.021 0.000 0.894 134 L HN 0.458 8.754 8.230 0.110 0.000 0.436 135 Q N -7.435 112.376 119.800 0.018 0.000 2.944 135 Q HA 0.087 4.456 4.340 0.050 0.000 0.328 135 Q C -1.110 174.916 176.000 0.043 0.000 0.810 135 Q CA -0.904 54.920 55.803 0.034 0.000 0.847 135 Q CB 1.135 29.886 28.738 0.021 0.000 1.408 135 Q HN -0.636 7.622 8.270 -0.020 0.000 0.484 136 G N -1.665 107.168 108.800 0.054 0.000 2.527 136 G HA2 -0.435 3.560 3.960 0.058 0.000 0.268 136 G HA3 -0.435 3.716 3.960 0.069 -0.149 0.268 136 G C -1.139 173.819 174.900 0.098 0.000 1.175 136 G CA -0.018 45.124 45.100 0.069 0.000 0.962 136 G HN 0.224 8.543 8.290 0.048 0.000 0.560 137 T N 4.955 119.589 114.554 0.134 0.000 2.708 137 T HA -0.310 4.081 4.350 0.069 0.000 0.257 137 T C -0.123 174.685 174.700 0.180 0.000 1.002 137 T CA 1.337 63.518 62.100 0.135 0.000 1.269 137 T CB -0.405 68.554 68.868 0.150 0.000 0.966 137 T HN -0.085 8.167 8.240 0.135 0.069 0.534 138 A N 9.485 132.369 122.820 0.107 0.000 3.175 138 A HA 0.250 4.656 4.320 0.145 0.000 0.289 138 A C -0.715 176.895 177.584 0.043 0.000 1.429 138 A CA -1.846 50.249 52.037 0.097 0.000 1.155 138 A CB -0.922 18.123 19.000 0.076 0.000 1.169 138 A HN 0.001 8.195 8.150 0.073 0.000 0.574 139 G N 0.585 109.395 108.800 0.016 0.000 2.226 139 G HA2 -0.208 3.741 3.960 -0.017 0.000 0.166 139 G HA3 -0.208 3.841 3.960 -0.046 -0.117 0.166 139 G C -0.928 173.964 174.900 -0.014 0.000 1.629 139 G CA 0.741 45.830 45.100 -0.019 0.000 1.008 139 G HN -0.324 7.924 8.290 0.023 0.056 0.410 140 Q N -1.386 118.397 119.800 -0.028 0.000 2.377 140 Q HA 0.187 4.523 4.340 -0.007 0.000 0.279 140 Q C -1.823 174.162 176.000 -0.026 0.000 1.049 140 Q CA -0.818 54.974 55.803 -0.018 0.000 0.825 140 Q CB 4.139 32.867 28.738 -0.017 0.000 1.401 140 Q HN -0.519 7.709 8.270 -0.044 0.015 0.404 141 E N 3.428 123.619 120.200 -0.016 0.000 2.383 141 E HA -0.156 4.391 4.350 -0.025 -0.212 0.257 141 E C -0.181 176.407 176.600 -0.021 0.000 1.079 141 E CA 0.930 57.320 56.400 -0.018 0.000 0.934 141 E CB -0.448 29.248 29.700 -0.007 0.000 0.978 141 E HN 0.440 8.796 8.360 -0.007 0.000 0.462 142 V N 6.306 126.203 119.914 -0.029 0.000 2.220 142 V HA -0.431 3.673 4.120 -0.027 0.000 0.250 142 V C 0.845 176.927 176.094 -0.019 0.000 1.056 142 V CA 3.274 65.558 62.300 -0.026 0.000 1.016 142 V CB 0.129 31.933 31.823 -0.031 0.000 0.639 142 V HN 0.914 8.947 8.190 -0.037 0.135 0.446 143 S N -1.425 114.265 115.700 -0.017 0.000 2.655 143 S HA 0.074 4.537 4.470 -0.011 0.000 0.231 143 S C -0.481 174.114 174.600 -0.009 0.000 1.044 143 S CA 1.217 59.410 58.200 -0.012 0.000 0.910 143 S CB 1.728 64.920 63.200 -0.012 0.000 0.833 143 S HN -0.411 7.887 8.310 -0.019 0.000 0.581 144 D N -0.134 120.261 120.400 -0.008 0.000 2.229 144 D HA 0.028 4.666 4.640 -0.002 0.000 0.209 144 D C -2.196 174.103 176.300 -0.001 0.000 1.295 144 D CA 0.909 54.907 54.000 -0.003 0.000 0.913 144 D CB 0.687 41.486 40.800 -0.002 0.000 1.581 144 D HN -0.048 8.316 8.370 -0.010 0.000 0.502 145 N N 1.124 119.825 118.700 0.002 0.000 2.696 145 N HA -0.338 4.556 4.740 0.011 -0.147 0.256 145 N C -1.514 173.998 175.510 0.003 0.000 1.031 145 N CA 1.556 54.610 53.050 0.007 0.000 0.730 145 N CB -0.856 37.637 38.487 0.011 0.000 0.894 145 N HN 0.286 8.890 8.380 0.001 -0.223 0.544 146 K N -6.832 113.565 120.400 -0.004 0.000 2.907 146 K HA 0.065 4.585 4.320 -0.005 -0.204 0.175 146 K C -1.970 174.617 176.600 -0.021 0.000 1.860 146 K CA 0.936 57.217 56.287 -0.010 0.000 1.404 146 K CB 2.225 34.718 32.500 -0.011 0.000 2.100 146 K HN -0.323 7.922 8.250 -0.008 0.000 0.616 147 T N -2.316 112.222 114.554 -0.027 0.000 2.906 147 T HA 0.952 5.534 4.350 -0.050 -0.262 0.295 147 T C -1.441 173.225 174.700 -0.056 0.000 1.061 147 T CA -2.081 59.993 62.100 -0.044 0.000 1.000 147 T CB 2.503 71.349 68.868 -0.038 0.000 1.103 147 T HN -0.596 7.630 8.240 -0.022 0.000 0.486 148 L N 1.925 123.094 121.223 -0.090 0.000 2.334 148 L HA 0.519 4.983 4.340 -0.076 -0.169 0.273 148 L C -1.818 174.990 176.870 -0.104 0.000 1.013 148 L CA -1.696 53.079 54.840 -0.108 0.000 0.816 148 L CB 3.858 45.800 42.059 -0.196 0.000 1.278 148 L HN 0.175 8.321 8.230 -0.103 0.022 0.431 149 N N 1.969 120.620 118.700 -0.083 0.000 2.626 149 N HA 0.251 4.944 4.740 -0.079 0.000 0.249 149 N C 0.492 175.956 175.510 -0.077 0.000 1.021 149 N CA -0.402 52.604 53.050 -0.074 0.000 0.886 149 N CB 0.916 39.373 38.487 -0.050 0.000 1.149 149 N HN 0.475 8.779 8.380 -0.070 0.034 0.517 150 L N 1.509 122.672 121.223 -0.100 0.000 2.240 150 L HA -0.028 4.269 4.340 -0.072 0.000 0.211 150 L C 0.613 177.432 176.870 -0.084 0.000 1.106 150 L CA 1.163 55.947 54.840 -0.094 0.000 0.793 150 L CB 0.093 42.074 42.059 -0.130 0.000 0.927 150 L HN -0.516 7.643 8.230 -0.118 0.000 0.446 151 G N -3.874 104.876 108.800 -0.084 0.000 2.637 151 G HA2 -0.316 3.610 3.960 -0.056 0.000 0.211 151 G HA3 -0.316 3.605 3.960 -0.065 0.000 0.211 151 G C -2.205 172.646 174.900 -0.081 0.000 1.213 151 G CA -0.500 44.558 45.100 -0.070 0.000 1.207 151 G HN -0.852 7.362 8.290 -0.088 0.024 0.559 152 K N 2.445 122.796 120.400 -0.082 0.000 2.177 152 K HA 0.636 5.158 4.320 -0.071 -0.244 0.238 152 K C 1.440 177.959 176.600 -0.136 0.000 1.015 152 K CA -1.657 54.580 56.287 -0.083 0.000 0.922 152 K CB 1.844 34.312 32.500 -0.054 0.000 1.127 152 K HN 0.151 8.355 8.250 -0.076 0.000 0.469 153 R N -1.130 119.297 120.500 -0.122 0.000 2.223 153 R HA 0.045 4.129 4.340 -0.428 0.000 0.198 153 R C 1.458 177.711 176.300 -0.079 0.000 0.984 153 R CA 2.275 58.256 56.100 -0.198 0.000 1.018 153 R CB 0.039 30.312 30.300 -0.046 0.000 0.945 153 R HN 0.369 8.597 8.270 -0.070 0.000 0.479 154 I N -1.569 118.982 120.570 -0.031 0.000 3.176 154 I HA -0.146 4.045 4.170 0.035 0.000 0.275 154 I C 0.480 176.584 176.117 -0.023 0.000 1.298 154 I CA 0.645 61.944 61.300 -0.000 0.000 1.445 154 I CB -0.356 37.644 38.000 -0.001 0.000 1.075 154 I HN 0.097 8.252 8.210 -0.037 0.033 0.482 155 E N -1.098 119.065 120.200 -0.061 0.000 2.494 155 E HA -0.090 4.235 4.350 -0.042 0.000 0.193 155 E C -1.065 175.494 176.600 -0.069 0.000 1.074 155 E CA -0.359 56.003 56.400 -0.062 0.000 0.867 155 E CB -0.079 29.575 29.700 -0.077 0.000 0.924 155 E HN -0.386 7.848 8.360 -0.089 0.072 0.502 156 D N -1.935 118.428 120.400 -0.061 0.000 2.828 156 D HA -0.261 4.409 4.640 0.050 0.000 0.241 156 D C -2.478 173.763 176.300 -0.099 0.000 1.142 156 D CA 0.300 54.277 54.000 -0.038 0.000 0.755 156 D CB -0.099 40.678 40.800 -0.040 0.000 1.014 156 D HN -0.629 7.623 8.370 -0.044 0.091 0.420 157 P HA 0.011 4.364 4.420 -0.112 0.000 0.276 157 P C -2.059 175.198 177.300 -0.071 0.000 1.235 157 P CA 0.236 63.224 63.100 -0.187 0.000 0.772 157 P CB 0.765 32.252 31.700 -0.356 0.000 0.871 158 R N -0.269 120.235 120.500 0.005 0.000 2.512 158 R HA 0.582 5.130 4.340 0.151 -0.117 0.291 158 R C -1.043 175.329 176.300 0.120 0.000 1.097 158 R CA -1.229 54.916 56.100 0.074 0.000 0.940 158 R CB 2.772 33.031 30.300 -0.068 0.000 1.198 158 R HN -0.052 8.222 8.270 0.006 0.000 0.429 159 G N 2.563 111.443 108.800 0.133 0.000 2.427 159 G HA2 0.557 4.515 3.960 0.023 0.000 0.306 159 G HA3 0.557 4.728 3.960 0.056 -0.176 0.306 159 G C -3.092 171.585 174.900 -0.371 0.000 1.280 159 G CA 0.681 45.777 45.100 -0.006 0.000 0.837 159 G HN 0.131 8.530 8.290 0.183 0.000 0.482 160 M N -2.380 116.822 119.600 -0.663 0.000 2.531 160 M HA 0.816 4.755 4.480 -1.170 -0.161 0.286 160 M C -1.861 173.808 176.300 -1.052 0.000 1.232 160 M CA -0.678 54.049 55.300 -0.954 0.000 0.877 160 M CB 5.221 37.646 32.600 -0.291 0.000 1.726 160 M HN 0.181 8.244 8.290 -0.379 0.000 0.463 161 Y N -4.022 116.364 120.300 0.145 0.000 2.362 161 Y HA 0.696 5.483 4.550 0.102 -0.177 0.326 161 Y C -1.410 174.580 175.900 0.152 0.000 1.083 161 Y CA -1.490 56.686 58.100 0.126 0.000 1.073 161 Y CB 2.071 40.601 38.460 0.116 0.000 1.211 161 Y HN 0.753 8.755 8.280 -0.463 0.000 0.433 162 Q N 3.225 123.162 119.800 0.228 0.000 2.205 162 Q HA 0.716 5.362 4.340 0.263 -0.148 0.249 162 Q C -1.333 174.788 176.000 0.203 0.000 0.948 162 Q CA -1.965 53.965 55.803 0.211 0.000 0.895 162 Q CB 3.922 32.738 28.738 0.131 0.000 1.249 162 Q HN 0.352 8.733 8.270 0.186 0.000 0.458 163 c N 0.820 119.548 118.600 0.213 0.000 2.574 163 c HA 0.328 4.977 4.570 0.132 0.000 0.335 163 c C 1.001 175.160 174.090 0.115 0.000 1.493 163 c CA 0.580 57.002 56.329 0.154 0.000 2.217 163 c CB 0.966 43.576 42.510 0.166 0.000 2.056 163 c HN 0.700 8.980 8.230 0.267 0.109 0.607 164 G N -0.440 108.411 108.800 0.085 0.000 2.507 164 G HA2 0.056 4.055 3.960 0.065 0.000 0.271 164 G HA3 0.056 4.048 3.960 0.053 0.000 0.271 164 G C -2.209 172.730 174.900 0.064 0.000 1.189 164 G CA -0.494 44.646 45.100 0.065 0.000 0.859 164 G HN 0.257 8.593 8.290 0.075 0.000 0.542 165 E N 0.215 120.447 120.200 0.053 0.000 2.290 165 E HA -0.022 4.362 4.350 0.057 0.000 0.277 165 E C -1.104 175.520 176.600 0.040 0.000 1.035 165 E CA 0.575 57.004 56.400 0.048 0.000 0.873 165 E CB -0.146 29.577 29.700 0.039 0.000 1.029 165 E HN 0.179 8.567 8.360 0.048 0.000 0.419 166 N N 3.692 122.417 118.700 0.041 0.000 2.609 166 N HA -0.083 4.673 4.740 0.027 0.000 0.353 166 N C -0.361 175.168 175.510 0.032 0.000 0.565 166 N CA 0.413 53.482 53.050 0.032 0.000 1.543 166 N CB -0.584 37.921 38.487 0.030 0.000 1.565 166 N HN 0.437 8.846 8.380 0.048 0.000 1.799 167 A N -0.046 122.796 122.820 0.037 0.000 2.167 167 A HA 0.163 4.501 4.320 0.029 0.000 0.208 167 A C -0.335 177.278 177.584 0.049 0.000 1.198 167 A CA 0.661 52.720 52.037 0.035 0.000 0.863 167 A CB 1.060 20.078 19.000 0.029 0.000 0.904 167 A HN 0.240 8.414 8.150 0.041 0.000 0.484 168 K N -0.778 119.663 120.400 0.069 0.000 2.575 168 K HA 0.028 4.394 4.320 0.076 0.000 0.271 168 K C -2.282 174.398 176.600 0.134 0.000 1.013 168 K CA 0.127 56.471 56.287 0.095 0.000 0.939 168 K CB 1.594 34.161 32.500 0.113 0.000 1.328 168 K HN -0.338 8.142 8.250 0.069 -0.189 0.450 169 S N 5.121 120.889 115.700 0.113 0.000 2.510 169 S HA -0.069 4.483 4.470 0.137 0.000 0.279 169 S C -1.176 173.534 174.600 0.183 0.000 1.284 169 S CA -0.094 58.183 58.200 0.128 0.000 1.059 169 S CB 0.680 63.923 63.200 0.073 0.000 0.901 169 S HN 0.011 8.370 8.310 0.082 0.000 0.491 170 F N 5.610 125.604 119.950 0.074 0.000 2.563 170 F HA 0.169 4.765 4.527 0.114 0.000 0.316 170 F C -2.218 173.653 175.800 0.118 0.000 1.076 170 F CA -0.682 57.380 58.000 0.104 0.000 0.921 170 F CB 3.961 43.019 39.000 0.098 0.000 1.209 170 F HN -0.036 8.449 8.300 0.308 0.000 0.462 171 T N 6.247 120.796 114.554 -0.009 0.000 2.916 171 T HA 0.361 5.012 4.350 0.273 -0.138 0.298 171 T C -2.189 172.647 174.700 0.226 0.000 1.031 171 T CA -0.544 61.650 62.100 0.157 0.000 0.993 171 T CB 2.380 71.260 68.868 0.021 0.000 1.045 171 T HN 0.156 8.003 8.240 -0.655 0.000 0.454 172 L N 5.275 126.700 121.223 0.336 0.000 2.431 172 L HA 0.599 5.372 4.340 0.385 -0.202 0.266 172 L C -3.083 173.914 176.870 0.211 0.000 0.978 172 L CA -0.535 54.542 54.840 0.394 0.000 0.822 172 L CB 3.988 46.391 42.059 0.573 0.000 1.310 172 L HN 0.241 8.660 8.230 0.315 0.000 0.409 173 Q N 5.505 125.422 119.800 0.194 0.000 2.348 173 Q HA 0.881 5.231 4.340 -0.212 -0.137 0.271 173 Q C -2.269 173.899 176.000 0.280 0.000 1.067 173 Q CA -2.052 53.792 55.803 0.068 0.000 0.839 173 Q CB 4.732 33.517 28.738 0.079 0.000 1.354 173 Q HN 1.194 9.493 8.270 0.252 0.122 0.447 174 V N 3.264 123.355 119.914 0.295 0.000 2.680 174 V HA 0.555 5.011 4.120 0.560 0.000 0.309 174 V C -2.355 174.021 176.094 0.470 0.000 1.052 174 V CA -1.797 60.784 62.300 0.469 0.000 0.908 174 V CB 3.845 35.971 31.823 0.505 0.000 1.001 174 V HN 1.011 9.159 8.190 0.127 0.119 0.431 175 Y N 7.869 128.353 120.300 0.306 0.000 2.475 175 Y HA 0.229 4.895 4.550 0.193 0.000 0.343 175 Y C -2.859 173.159 175.900 0.197 0.000 1.068 175 Y CA -1.004 57.222 58.100 0.211 0.000 1.307 175 Y CB 2.676 41.210 38.460 0.123 0.000 1.097 175 Y HN 0.801 9.312 8.280 0.538 0.092 0.530 176 Y N 6.188 126.377 120.300 -0.185 0.000 2.535 176 Y HA 0.088 4.591 4.550 -0.079 0.000 0.349 176 Y C -0.159 175.617 175.900 -0.207 0.000 0.992 176 Y CA -0.253 57.755 58.100 -0.152 0.000 1.248 176 Y CB 0.098 38.467 38.460 -0.151 0.000 1.124 176 Y HN -0.121 8.268 8.280 0.182 0.000 0.520 177 R N 4.545 124.988 120.500 -0.094 0.000 2.564 177 R HA -0.425 3.913 4.340 -0.056 -0.032 0.298 177 R C -0.802 175.387 176.300 -0.186 0.000 1.011 177 R CA 1.121 57.168 56.100 -0.087 0.000 0.867 177 R CB -1.406 28.872 30.300 -0.036 0.000 2.352 177 R HN 0.675 8.787 8.270 -0.095 0.101 0.511 178 M N 0.000 119.468 119.600 -0.220 0.000 2.572 178 M HA 0.000 4.523 4.480 0.072 0.000 0.227 178 M CA 0.000 55.142 55.300 -0.263 0.000 0.988 178 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 178 M HN 0.000 8.266 8.290 -0.040 0.000 0.411