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 1gdn_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR XNGGPWCGGS LLNANTVLTA AHCAQSGFQR DATA SEQUENCE AXXGSLSRTS GXXXGITSSL SSVRVHPSYS GXXNNNDLAI LKLSTSIPSG DATA SEQUENCE GNIGYARLAA SGSDPVAGSS ATVAGWGATS EGGSSTPVNL LKVTVPIVSR DATA SEQUENCE ATCRAQYTSA ITNQMFCAVS SGKDSCQGDS GGPIVSSNTX XXXLIGAVSW DATA SEQUENCE GNXGCRPNYS GVYASVGALR SFIDTYA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.164 4.170 -0.010 0.000 0.288 16 I C 0.000 176.114 176.117 -0.005 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 16 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 17 V N 5.227 125.143 119.914 0.003 0.000 2.427 17 V HA 0.211 4.335 4.120 0.006 0.000 0.286 17 V C 0.727 176.826 176.094 0.008 0.000 1.034 17 V CA -1.799 60.505 62.300 0.007 0.000 0.893 17 V CB 0.770 32.600 31.823 0.011 0.000 0.982 17 V HN 0.725 8.918 8.190 0.006 0.000 0.452 18 G N 7.103 115.907 108.800 0.007 0.000 2.147 18 G HA2 -0.378 3.586 3.960 0.007 0.000 0.244 18 G HA3 -0.378 3.763 3.960 0.010 -0.175 0.244 18 G C -0.841 174.061 174.900 0.004 0.000 1.005 18 G CA 0.380 45.485 45.100 0.007 0.000 0.713 18 G HN 0.759 9.053 8.290 0.006 0.000 0.515 19 G N -2.385 106.415 108.800 -0.001 0.000 2.568 19 G HA2 0.364 4.358 3.960 -0.001 0.000 0.293 19 G HA3 0.364 4.364 3.960 -0.013 -0.049 0.293 19 G C -1.715 173.182 174.900 -0.005 0.000 1.347 19 G CA -0.930 44.167 45.100 -0.005 0.000 1.039 19 G HN -0.472 7.787 8.290 -0.002 0.030 0.523 20 T N -1.430 113.120 114.554 -0.006 0.000 2.901 20 T HA 0.303 4.649 4.350 -0.006 0.000 0.293 20 T C -0.888 173.804 174.700 -0.013 0.000 1.084 20 T CA -1.989 60.107 62.100 -0.006 0.000 1.008 20 T CB 1.267 70.135 68.868 -0.000 0.000 1.170 20 T HN 0.261 8.497 8.240 -0.006 0.000 0.509 21 S N 3.762 119.455 115.700 -0.013 0.000 2.533 21 S HA -0.131 4.321 4.470 -0.030 0.000 0.282 21 S C -0.461 174.130 174.600 -0.015 0.000 1.304 21 S CA 1.070 59.259 58.200 -0.018 0.000 1.063 21 S CB 0.447 63.641 63.200 -0.009 0.000 0.881 21 S HN 0.157 8.462 8.310 -0.009 0.000 0.493 22 A N 6.371 129.180 122.820 -0.018 0.000 2.445 22 A HA -0.052 4.473 4.320 0.009 -0.200 0.242 22 A C 0.013 177.582 177.584 -0.025 0.000 1.075 22 A CA -0.247 51.791 52.037 0.001 0.000 0.777 22 A CB 1.008 20.038 19.000 0.049 0.000 1.013 22 A HN 0.080 8.205 8.150 -0.041 0.000 0.493 23 S N 1.545 117.211 115.700 -0.056 0.000 2.646 23 S HA 0.108 4.558 4.470 -0.034 0.000 0.276 23 S C -0.454 174.111 174.600 -0.058 0.000 1.222 23 S CA -0.610 57.557 58.200 -0.055 0.000 1.014 23 S CB 1.621 64.779 63.200 -0.071 0.000 0.991 23 S HN 0.348 9.322 8.310 -0.083 -0.714 0.533 24 A N 1.361 124.160 122.820 -0.034 0.000 2.548 24 A HA -0.174 4.139 4.320 -0.011 0.000 0.247 24 A C 0.842 178.393 177.584 -0.055 0.000 1.067 24 A CA 2.005 54.026 52.037 -0.026 0.000 0.757 24 A CB -0.585 18.408 19.000 -0.011 0.000 0.996 24 A HN 0.305 8.439 8.150 -0.026 0.000 0.504 25 G N 3.796 112.559 108.800 -0.062 0.000 2.157 25 G HA2 -0.366 3.556 3.960 -0.062 0.000 0.248 25 G HA3 -0.366 3.547 3.960 -0.077 0.000 0.248 25 G C -0.032 174.762 174.900 -0.177 0.000 0.979 25 G CA 0.381 45.428 45.100 -0.087 0.000 0.650 25 G HN 0.257 8.524 8.290 -0.040 0.000 0.529 26 D N 0.484 120.711 120.400 -0.288 0.000 2.144 26 D HA -0.192 4.123 4.640 -0.543 0.000 0.199 26 D C -0.679 175.047 176.300 -0.957 0.000 0.984 26 D CA 2.673 56.286 54.000 -0.645 0.000 0.834 26 D CB 0.508 40.808 40.800 -0.833 0.000 0.955 26 D HN -0.084 8.154 8.370 -0.219 0.000 0.465 27 F N -6.332 113.513 119.950 -0.175 0.000 2.708 27 F HA 0.384 4.710 4.527 -0.335 0.000 0.344 27 F C -2.213 173.342 175.800 -0.409 0.000 1.447 27 F CA -2.531 55.245 58.000 -0.374 0.000 1.140 27 F CB 0.463 39.151 39.000 -0.520 0.000 1.657 27 F HN -0.627 7.533 8.300 -0.233 0.000 0.598 28 P HA -0.084 4.444 4.420 0.001 -0.107 0.223 28 P C 0.459 177.805 177.300 0.076 0.000 1.144 28 P CA 1.681 64.788 63.100 0.013 0.000 0.783 28 P CB -0.005 31.725 31.700 0.051 0.000 0.771 29 F N -7.134 112.905 119.950 0.149 0.000 2.765 29 F HA 0.423 5.221 4.527 0.154 -0.180 0.302 29 F C -0.481 175.430 175.800 0.185 0.000 1.111 29 F CA -2.353 55.747 58.000 0.166 0.000 1.359 29 F CB -0.504 38.601 39.000 0.176 0.000 1.097 29 F HN -0.468 7.651 8.300 -0.127 0.104 0.577 30 I N 2.060 122.500 120.570 -0.216 0.000 2.634 30 I HA 0.212 4.540 4.170 0.024 -0.144 0.284 30 I C -0.927 175.306 176.117 0.193 0.000 1.124 30 I CA -0.020 61.260 61.300 -0.033 0.000 1.417 30 I CB 1.798 39.717 38.000 -0.134 0.000 1.396 30 I HN -0.115 7.735 8.210 -0.326 0.165 0.571 31 V N 3.556 123.613 119.914 0.239 0.000 2.823 31 V HA 0.901 5.276 4.120 0.186 -0.143 0.312 31 V C -1.261 174.938 176.094 0.176 0.000 1.072 31 V CA -3.245 59.172 62.300 0.194 0.000 0.937 31 V CB 3.264 35.167 31.823 0.133 0.000 1.013 31 V HN 0.250 8.580 8.190 0.233 0.000 0.430 32 S N 2.185 117.800 115.700 -0.142 0.000 2.554 32 S HA 0.324 4.641 4.470 -0.255 0.000 0.278 32 S C -0.813 173.696 174.600 -0.151 0.000 1.242 32 S CA -1.374 56.564 58.200 -0.436 0.000 1.051 32 S CB 1.527 63.966 63.200 -1.268 0.000 0.986 32 S HN 0.024 8.237 8.310 -0.161 0.000 0.502 33 I N 3.498 124.048 120.570 -0.033 0.000 2.411 33 I HA 0.593 5.001 4.170 0.075 -0.192 0.284 33 I C -0.702 175.518 176.117 0.172 0.000 1.012 33 I CA -0.981 60.379 61.300 0.101 0.000 1.119 33 I CB 2.020 40.126 38.000 0.176 0.000 1.261 33 I HN 0.447 8.642 8.210 -0.026 0.000 0.448 34 S N 6.731 122.499 115.700 0.113 0.000 2.646 34 S HA 0.831 5.502 4.470 0.142 -0.116 0.276 34 S C -1.197 173.440 174.600 0.062 0.000 1.222 34 S CA -1.101 57.155 58.200 0.094 0.000 1.014 34 S CB 2.433 65.630 63.200 -0.006 0.000 0.991 34 S HN 0.453 8.806 8.310 0.072 0.000 0.533 38 G N -0.594 108.130 108.800 -0.126 0.000 2.179 38 G HA2 -0.291 3.629 3.960 -0.068 0.000 0.260 38 G HA3 -0.291 3.628 3.960 -0.069 0.000 0.260 38 G C -0.796 174.076 174.900 -0.048 0.000 0.977 38 G CA 0.713 45.768 45.100 -0.075 0.000 0.641 38 G HN 0.325 8.499 8.290 -0.146 0.029 0.533 39 G N -0.310 108.467 108.800 -0.038 0.000 2.568 39 G HA2 0.522 4.487 3.960 0.009 0.000 0.313 39 G HA3 0.522 4.497 3.960 0.026 0.000 0.313 39 G C -3.033 171.909 174.900 0.071 0.000 1.227 39 G CA -2.533 42.576 45.100 0.015 0.000 0.979 39 G HN -0.519 7.562 8.290 -0.066 0.170 0.486 40 P HA -0.170 4.299 4.420 0.082 0.000 0.269 40 P C -1.919 175.564 177.300 0.304 0.000 1.209 40 P CA 0.425 63.602 63.100 0.129 0.000 0.776 40 P CB 1.127 32.883 31.700 0.093 0.000 0.876 41 W N 1.571 122.890 121.300 0.032 0.000 5.441 41 W HA 0.173 4.874 4.660 0.070 0.000 0.169 41 W C -1.702 174.869 176.519 0.088 0.000 1.574 41 W CA 0.473 57.861 57.345 0.072 0.000 2.017 41 W CB 1.936 31.460 29.460 0.107 0.000 0.678 41 W HN -0.017 8.316 8.180 0.254 0.000 1.088 42 C N -6.064 113.324 119.300 0.147 0.000 3.293 42 C HA 0.884 5.491 4.460 -0.037 -0.169 0.362 42 C C -1.704 173.358 174.990 0.120 0.000 1.539 42 C CA -2.051 56.977 59.018 0.016 0.000 1.201 42 C CB 2.654 30.332 27.740 -0.105 0.000 1.770 42 C HN -0.032 8.361 8.230 0.273 0.000 0.440 43 G N -1.925 106.948 108.800 0.121 0.000 2.735 43 G HA2 0.860 5.078 3.960 0.230 0.000 0.301 43 G HA3 0.860 4.964 3.960 0.240 0.000 0.301 43 G C -2.521 172.456 174.900 0.128 0.000 1.279 43 G CA -1.798 43.418 45.100 0.194 0.000 1.019 43 G HN 0.446 8.778 8.290 0.069 0.000 0.497 44 G N -3.752 105.145 108.800 0.161 0.000 2.548 44 G HA2 0.546 4.846 3.960 0.123 0.000 0.301 44 G HA3 0.546 4.577 3.960 0.118 0.000 0.301 44 G C -2.862 172.165 174.900 0.212 0.000 1.349 44 G CA 0.222 45.407 45.100 0.143 0.000 0.792 44 G HN -0.200 8.214 8.290 0.208 0.000 0.481 45 S N -0.548 115.294 115.700 0.237 0.000 2.594 45 S HA 0.541 5.466 4.470 0.535 -0.134 0.296 45 S C -1.518 173.256 174.600 0.291 0.000 1.124 45 S CA -0.551 57.885 58.200 0.394 0.000 1.011 45 S CB 3.170 66.600 63.200 0.383 0.000 1.016 45 S HN 0.233 8.652 8.310 0.181 0.000 0.485 46 L N 6.591 128.036 121.223 0.369 0.000 2.369 46 L HA 0.168 4.758 4.340 0.190 -0.136 0.279 46 L C -0.840 176.165 176.870 0.225 0.000 1.108 46 L CA -0.331 54.677 54.840 0.281 0.000 0.852 46 L CB 0.401 42.681 42.059 0.370 0.000 1.169 46 L HN 0.648 9.174 8.230 0.492 0.000 0.452 47 L N 5.826 127.075 121.223 0.043 0.000 2.249 47 L HA -0.054 4.266 4.340 -0.034 0.000 0.207 47 L C -0.000 176.696 176.870 -0.289 0.000 1.090 47 L CA 1.153 55.953 54.840 -0.067 0.000 0.802 47 L CB 0.460 42.470 42.059 -0.082 0.000 0.947 47 L HN 0.478 8.723 8.230 0.026 0.000 0.453 48 N N -5.741 112.643 118.700 -0.527 0.000 3.339 48 N HA 0.043 3.523 4.740 -2.100 0.000 0.275 48 N C -0.892 174.182 175.510 -0.726 0.000 1.514 48 N CA -0.416 52.000 53.050 -1.057 0.000 0.879 48 N CB 0.897 39.069 38.487 -0.525 0.000 1.557 48 N HN -0.922 7.267 8.380 -0.319 0.000 0.524 49 A N -3.156 119.363 122.820 -0.502 0.000 2.019 49 A HA -0.053 4.529 4.320 0.122 -0.189 0.219 49 A C 0.373 177.944 177.584 -0.022 0.000 1.164 49 A CA 2.428 54.431 52.037 -0.057 0.000 0.644 49 A CB 0.093 19.120 19.000 0.045 0.000 0.805 49 A HN 0.444 8.285 8.150 -0.514 0.000 0.449 50 N N -6.995 111.662 118.700 -0.071 0.000 2.291 50 N HA 0.160 4.898 4.740 -0.003 0.000 0.244 50 N C -1.780 173.709 175.510 -0.035 0.000 1.216 50 N CA -1.236 51.796 53.050 -0.030 0.000 0.879 50 N CB 1.480 39.953 38.487 -0.023 0.000 1.167 50 N HN -0.423 8.081 8.380 -0.124 -0.198 0.515 51 T N 2.535 117.058 114.554 -0.053 0.000 2.971 51 T HA 0.645 5.188 4.350 -0.031 -0.213 0.304 51 T C -2.161 172.532 174.700 -0.013 0.000 1.038 51 T CA 0.137 62.211 62.100 -0.044 0.000 1.007 51 T CB 3.379 72.201 68.868 -0.077 0.000 1.055 51 T HN -0.650 7.548 8.240 -0.070 0.000 0.451 52 V N 6.150 126.068 119.914 0.007 0.000 2.604 52 V HA 0.647 4.989 4.120 0.063 -0.184 0.305 52 V C -2.439 173.672 176.094 0.028 0.000 1.043 52 V CA -1.897 60.426 62.300 0.039 0.000 0.888 52 V CB 3.817 35.668 31.823 0.047 0.000 0.995 52 V HN 0.693 8.881 8.190 -0.004 0.000 0.429 53 L N 7.469 128.726 121.223 0.056 0.000 2.275 53 L HA 0.822 5.362 4.340 0.054 -0.167 0.288 53 L C -1.883 175.027 176.870 0.067 0.000 1.046 53 L CA -1.409 53.469 54.840 0.063 0.000 0.805 53 L CB 2.266 44.370 42.059 0.076 0.000 1.193 53 L HN 0.543 8.819 8.230 0.077 0.000 0.426 54 T N 5.410 119.986 114.554 0.037 0.000 2.696 54 T HA 0.520 5.061 4.350 0.030 -0.173 0.291 54 T C -1.980 172.702 174.700 -0.030 0.000 1.095 54 T CA -3.127 58.974 62.100 0.001 0.000 1.026 54 T CB 2.194 71.037 68.868 -0.042 0.000 1.390 54 T HN 0.271 8.533 8.240 0.036 0.000 0.513 55 A N -0.071 122.686 122.820 -0.105 0.000 2.354 55 A HA 0.374 4.856 4.320 -0.075 -0.207 0.269 55 A C 0.369 177.796 177.584 -0.262 0.000 1.109 55 A CA -0.803 51.138 52.037 -0.160 0.000 0.800 55 A CB 1.080 19.922 19.000 -0.264 0.000 1.045 55 A HN 0.431 8.509 8.150 -0.120 0.000 0.489 56 A N 4.211 126.846 122.820 -0.308 0.000 1.940 56 A HA -0.340 3.735 4.320 -0.407 0.000 0.219 56 A C 1.076 178.385 177.584 -0.458 0.000 1.176 56 A CA 3.221 54.928 52.037 -0.550 0.000 0.631 56 A CB -0.234 18.038 19.000 -1.212 0.000 0.814 56 A HN 0.405 8.400 8.150 -0.244 0.009 0.446 57 H N -5.342 113.575 119.070 -0.254 0.000 2.521 57 H HA -0.106 4.486 4.556 0.060 0.000 0.286 57 H C -0.702 174.670 175.328 0.075 0.000 1.034 57 H CA 0.929 56.980 56.048 0.005 0.000 1.278 57 H CB -1.215 28.611 29.762 0.107 0.000 1.386 57 H HN -0.166 8.301 8.280 -0.159 -0.283 0.567 58 C N 2.076 121.145 119.300 -0.384 0.000 2.663 58 C HA -0.083 4.403 4.460 0.042 0.000 0.379 58 C C 0.275 175.411 174.990 0.243 0.000 1.255 58 C CA -0.241 58.748 59.018 -0.048 0.000 1.503 58 C CB -3.235 24.401 27.740 -0.173 0.000 2.187 58 C HN -0.614 7.237 8.230 -0.566 0.040 0.580 59 A N 6.688 129.527 122.820 0.031 0.000 2.512 59 A HA -0.308 4.033 4.320 0.036 0.000 0.276 59 A C 0.790 178.429 177.584 0.090 0.000 0.917 59 A CA 1.161 53.208 52.037 0.016 0.000 1.061 59 A CB 0.397 19.362 19.000 -0.058 0.000 0.761 59 A HN 0.492 8.627 8.150 -0.024 0.000 0.396 60 Q N 3.403 123.290 119.800 0.145 0.000 2.224 60 Q HA -0.261 4.362 4.340 0.472 0.000 0.203 60 Q C 1.630 177.742 176.000 0.187 0.000 0.970 60 Q CA 2.270 58.229 55.803 0.260 0.000 0.865 60 Q CB -0.270 28.554 28.738 0.144 0.000 0.922 60 Q HN 0.670 8.998 8.270 0.097 0.000 0.445 61 S N -0.851 114.873 115.700 0.039 0.000 2.442 61 S HA -0.195 4.283 4.470 0.013 0.000 0.236 61 S C 1.159 175.698 174.600 -0.102 0.000 1.007 61 S CA 2.045 60.235 58.200 -0.016 0.000 0.965 61 S CB -0.394 62.785 63.200 -0.035 0.000 0.773 61 S HN 0.045 8.340 8.310 0.024 0.029 0.504 62 G N -0.667 107.978 108.800 -0.258 0.000 2.534 62 G HA2 -0.066 3.689 3.960 -0.342 0.000 0.217 62 G HA3 -0.066 3.485 3.960 -0.683 0.000 0.217 62 G C -0.537 174.039 174.900 -0.541 0.000 1.128 62 G CA 0.599 45.409 45.100 -0.483 0.000 0.784 62 G HN -0.707 7.391 8.290 -0.243 0.046 0.542 63 F N -0.059 119.829 119.950 -0.104 0.000 2.397 63 F HA 0.781 5.477 4.527 -0.102 -0.230 0.331 63 F C -1.149 174.621 175.800 -0.051 0.000 1.090 63 F CA -0.633 57.318 58.000 -0.082 0.000 1.065 63 F CB 2.019 40.986 39.000 -0.056 0.000 1.184 63 F HN -0.732 7.475 8.300 -0.050 0.063 0.499 64 Q N 0.324 120.210 119.800 0.143 0.000 3.093 64 Q HA 0.787 5.313 4.340 0.076 -0.141 0.330 64 Q C -1.873 174.169 176.000 0.071 0.000 0.947 64 Q CA -1.635 54.212 55.803 0.075 0.000 0.801 64 Q CB 4.888 33.636 28.738 0.016 0.000 1.470 64 Q HN 0.112 8.477 8.270 0.158 0.000 0.498 65 R N -1.956 118.531 120.500 -0.021 0.000 3.070 65 R HA 0.213 4.737 4.340 -0.002 -0.185 0.249 65 R C -2.972 173.334 176.300 0.010 0.000 1.124 65 R CA 0.678 56.762 56.100 -0.026 0.000 1.111 65 R CB 3.113 33.360 30.300 -0.088 0.000 1.268 65 R HN 0.525 8.772 8.270 -0.038 0.000 0.466 70 S N -1.054 114.720 115.700 0.123 0.000 2.540 70 S HA 0.212 4.746 4.470 0.106 0.000 0.275 70 S C -0.086 174.657 174.600 0.238 0.000 1.123 70 S CA -0.861 57.420 58.200 0.135 0.000 0.907 70 S CB 1.442 64.700 63.200 0.097 0.000 1.081 70 S HN -0.539 7.862 8.310 0.152 0.000 0.476 71 L N 3.416 124.761 121.223 0.204 0.000 2.217 71 L HA -0.020 4.490 4.340 0.283 0.000 0.211 71 L C 0.220 177.352 176.870 0.436 0.000 1.107 71 L CA 0.959 55.957 54.840 0.264 0.000 0.783 71 L CB 0.271 42.414 42.059 0.140 0.000 0.919 71 L HN 0.397 8.715 8.230 0.146 0.000 0.442 72 S N -2.850 113.026 115.700 0.294 0.000 2.562 72 S HA 0.156 5.109 4.470 0.329 -0.286 0.275 72 S C 0.523 175.158 174.600 0.058 0.000 1.281 72 S CA -0.927 57.414 58.200 0.235 0.000 1.045 72 S CB 1.321 64.586 63.200 0.108 0.000 0.962 72 S HN -0.731 7.673 8.310 0.208 0.031 0.503 73 R N 3.409 123.782 120.500 -0.212 0.000 2.276 73 R HA 0.152 4.048 4.340 -0.740 0.000 0.196 73 R C 1.703 177.840 176.300 -0.272 0.000 0.961 73 R CA 1.355 57.089 56.100 -0.609 0.000 1.024 73 R CB 0.562 30.245 30.300 -1.029 0.000 0.940 73 R HN 0.064 8.293 8.270 -0.068 0.000 0.480 74 T N -4.646 109.835 114.554 -0.122 0.000 3.015 74 T HA 0.085 4.384 4.350 -0.086 0.000 0.250 74 T C -0.465 174.209 174.700 -0.043 0.000 1.057 74 T CA 0.426 62.484 62.100 -0.070 0.000 1.066 74 T CB 1.065 69.915 68.868 -0.031 0.000 0.959 74 T HN -0.170 7.970 8.240 -0.079 0.053 0.488 75 S N 0.609 116.294 115.700 -0.026 0.000 2.570 75 S HA 0.161 4.625 4.470 -0.010 0.000 0.270 75 S C -1.555 173.050 174.600 0.008 0.000 1.149 75 S CA -0.110 58.087 58.200 -0.005 0.000 0.837 75 S CB 2.946 66.150 63.200 0.007 0.000 1.124 75 S HN -0.857 7.437 8.310 -0.027 0.000 0.465 81 I N 2.290 122.879 120.570 0.031 0.000 2.498 81 I HA 0.316 4.501 4.170 0.025 0.000 0.290 81 I C -0.909 175.225 176.117 0.028 0.000 1.032 81 I CA -0.567 60.751 61.300 0.031 0.000 1.073 81 I CB 2.850 40.875 38.000 0.042 0.000 1.251 81 I HN 0.268 8.500 8.210 0.037 0.000 0.426 82 T N 3.022 117.589 114.554 0.021 0.000 2.940 82 T HA 0.370 4.928 4.350 0.018 -0.198 0.288 82 T C -1.097 173.617 174.700 0.025 0.000 1.033 82 T CA -1.985 60.126 62.100 0.017 0.000 1.033 82 T CB 1.756 70.627 68.868 0.005 0.000 1.079 82 T HN 0.178 8.429 8.240 0.020 0.000 0.496 83 S N 1.351 117.067 115.700 0.027 0.000 2.537 83 S HA 0.306 4.791 4.470 0.025 0.000 0.270 83 S C -1.916 172.704 174.600 0.033 0.000 1.142 83 S CA -1.116 57.102 58.200 0.030 0.000 0.870 83 S CB 1.953 65.174 63.200 0.036 0.000 1.112 83 S HN 0.124 8.450 8.310 0.027 0.000 0.466 84 S N 3.925 119.643 115.700 0.030 0.000 2.661 84 S HA 0.207 4.707 4.470 0.050 0.000 0.265 84 S C -0.371 174.254 174.600 0.042 0.000 1.225 84 S CA 0.055 58.279 58.200 0.039 0.000 0.986 84 S CB 1.341 64.557 63.200 0.027 0.000 1.008 84 S HN 0.380 8.705 8.310 0.024 0.000 0.565 85 L N -0.794 120.461 121.223 0.053 0.000 2.322 85 L HA 0.288 4.771 4.340 0.026 -0.127 0.279 85 L C 0.193 177.079 176.870 0.027 0.000 1.036 85 L CA -0.473 54.390 54.840 0.038 0.000 0.807 85 L CB 1.107 43.194 42.059 0.046 0.000 1.226 85 L HN 0.546 8.816 8.230 0.067 0.000 0.433 86 S N 2.906 118.614 115.700 0.013 0.000 2.475 86 S HA 0.034 4.511 4.470 0.012 0.000 0.224 86 S C -0.248 174.354 174.600 0.003 0.000 1.042 86 S CA 0.819 59.024 58.200 0.008 0.000 0.935 86 S CB 0.916 64.119 63.200 0.004 0.000 0.801 86 S HN 0.663 8.979 8.310 0.010 0.000 0.509 87 S N -1.962 113.735 115.700 -0.005 0.000 2.587 87 S HA 0.202 4.819 4.470 -0.008 -0.152 0.269 87 S C -2.235 172.347 174.600 -0.030 0.000 1.154 87 S CA -0.308 57.883 58.200 -0.014 0.000 0.824 87 S CB 2.530 65.718 63.200 -0.019 0.000 1.118 87 S HN -0.767 7.538 8.310 -0.007 0.000 0.462 88 V N 0.189 120.081 119.914 -0.038 0.000 2.686 88 V HA 0.494 4.715 4.120 -0.062 -0.139 0.306 88 V C -1.185 174.879 176.094 -0.050 0.000 1.065 88 V CA -0.888 61.379 62.300 -0.055 0.000 0.894 88 V CB 2.964 34.746 31.823 -0.068 0.000 1.004 88 V HN 0.219 8.390 8.190 -0.031 0.000 0.424 89 R N 8.018 128.494 120.500 -0.039 0.000 2.483 89 R HA 0.343 4.653 4.340 -0.051 0.000 0.303 89 R C -2.011 174.343 176.300 0.090 0.000 0.987 89 R CA -1.872 54.212 56.100 -0.027 0.000 0.881 89 R CB 1.791 32.014 30.300 -0.130 0.000 1.177 89 R HN 0.638 8.890 8.270 -0.030 0.000 0.451 90 V N 6.391 126.312 119.914 0.012 0.000 2.863 90 V HA -0.013 4.091 4.120 -0.027 0.000 0.307 90 V C -0.575 175.381 176.094 -0.230 0.000 1.061 90 V CA -0.561 61.702 62.300 -0.062 0.000 1.024 90 V CB 1.621 33.392 31.823 -0.087 0.000 1.049 90 V HN 0.283 8.462 8.190 -0.019 0.000 0.471 91 H N 5.969 124.642 119.070 -0.661 0.000 3.064 91 H HA -0.077 3.168 4.556 -2.184 0.000 0.329 91 H C 0.505 175.589 175.328 -0.406 0.000 1.020 91 H CA 0.850 56.225 56.048 -1.122 0.000 1.402 91 H CB 1.111 30.391 29.762 -0.804 0.000 1.379 91 H HN -0.212 7.857 8.280 -0.352 0.000 0.594 92 P HA -0.019 4.339 4.420 -0.103 0.000 0.225 92 P C -0.419 176.904 177.300 0.039 0.000 1.148 92 P CA 1.576 64.579 63.100 -0.161 0.000 0.779 92 P CB 0.330 31.933 31.700 -0.162 0.000 0.780 93 S N -2.249 113.621 115.700 0.283 0.000 2.575 93 S HA 0.096 4.628 4.470 0.103 0.000 0.237 93 S C -0.830 173.857 174.600 0.145 0.000 0.975 93 S CA -0.207 58.115 58.200 0.202 0.000 0.960 93 S CB 0.552 63.862 63.200 0.183 0.000 0.822 93 S HN -0.531 8.117 8.310 0.633 0.042 0.472 94 Y N 4.196 124.522 120.300 0.043 0.000 2.810 94 Y HA -0.315 4.398 4.550 -0.060 -0.198 0.332 94 Y C -0.521 175.358 175.900 -0.034 0.000 1.243 94 Y CA 1.584 59.667 58.100 -0.028 0.000 1.537 94 Y CB 0.036 38.479 38.460 -0.028 0.000 1.265 94 Y HN -0.645 7.650 8.280 0.302 0.166 0.572 95 S N 7.107 122.533 115.700 -0.457 0.000 2.584 95 S HA 0.147 4.320 4.470 -0.496 0.000 0.280 95 S C -1.186 173.149 174.600 -0.442 0.000 1.162 95 S CA -0.581 57.359 58.200 -0.433 0.000 0.951 95 S CB 2.079 65.152 63.200 -0.212 0.000 1.108 95 S HN 0.111 8.192 8.310 -0.383 0.000 0.464 100 N N 1.495 120.102 118.700 -0.155 0.000 2.529 100 N HA 0.008 4.742 4.740 -0.010 0.000 0.278 100 N C -1.010 174.514 175.510 0.024 0.000 1.146 100 N CA 0.495 53.511 53.050 -0.056 0.000 0.980 100 N CB 1.060 39.488 38.487 -0.099 0.000 1.124 100 N HN -0.349 7.775 8.380 -0.236 0.114 0.458 101 N N -1.433 117.263 118.700 -0.008 0.000 2.738 101 N HA -0.386 4.240 4.740 -0.191 0.000 0.249 101 N C -1.529 174.008 175.510 0.045 0.000 1.047 101 N CA 1.471 54.449 53.050 -0.120 0.000 0.707 101 N CB -0.990 37.300 38.487 -0.327 0.000 0.937 101 N HN 0.791 9.166 8.380 -0.009 0.000 0.545 102 D N -0.532 119.932 120.400 0.106 0.000 2.896 102 D HA 0.066 4.777 4.640 0.118 0.000 0.240 102 D C -1.742 174.562 176.300 0.007 0.000 1.193 102 D CA -0.749 53.323 54.000 0.120 0.000 0.983 102 D CB -0.789 40.150 40.800 0.231 0.000 1.074 102 D HN 0.131 8.554 8.370 0.087 0.000 0.496 103 L N -0.116 121.086 121.223 -0.036 0.000 2.388 103 L HA 0.785 5.316 4.340 0.029 -0.173 0.264 103 L C -2.370 174.522 176.870 0.038 0.000 0.998 103 L CA -1.384 53.483 54.840 0.045 0.000 0.817 103 L CB 4.856 47.036 42.059 0.201 0.000 1.338 103 L HN -0.521 7.601 8.230 -0.059 0.072 0.414 104 A N -0.314 122.567 122.820 0.103 0.000 2.515 104 A HA 0.845 5.456 4.320 0.263 -0.134 0.298 104 A C -2.281 175.394 177.584 0.152 0.000 1.059 104 A CA -1.544 50.575 52.037 0.136 0.000 0.698 104 A CB 4.193 23.161 19.000 -0.054 0.000 1.289 104 A HN 0.765 8.964 8.150 0.082 0.000 0.404 105 I N 1.067 121.724 120.570 0.145 0.000 2.336 105 I HA 0.565 4.892 4.170 0.011 -0.151 0.292 105 I C -1.278 174.826 176.117 -0.021 0.000 0.991 105 I CA -2.137 59.171 61.300 0.013 0.000 1.227 105 I CB 1.005 38.948 38.000 -0.095 0.000 1.366 105 I HN 0.337 8.684 8.210 0.228 0.000 0.466 106 L N 7.159 128.363 121.223 -0.032 0.000 2.307 106 L HA 0.543 5.004 4.340 -0.054 -0.153 0.284 106 L C -0.576 176.276 176.870 -0.030 0.000 1.023 106 L CA -1.525 53.288 54.840 -0.045 0.000 0.810 106 L CB 1.759 43.783 42.059 -0.059 0.000 1.231 106 L HN 0.844 9.060 8.230 -0.023 0.000 0.423 107 K N 2.178 122.562 120.400 -0.026 0.000 2.159 107 K HA 0.658 5.160 4.320 -0.019 -0.193 0.266 107 K C -0.621 175.975 176.600 -0.006 0.000 0.975 107 K CA -2.567 53.710 56.287 -0.017 0.000 0.865 107 K CB 2.004 34.495 32.500 -0.016 0.000 1.087 107 K HN 0.206 8.439 8.250 -0.030 0.000 0.446 108 L N 3.773 124.996 121.223 0.001 0.000 2.312 108 L HA 0.245 4.728 4.340 0.016 -0.133 0.281 108 L C 0.055 176.932 176.870 0.013 0.000 1.070 108 L CA -0.427 54.421 54.840 0.013 0.000 0.805 108 L CB 0.539 42.611 42.059 0.022 0.000 1.174 108 L HN 0.157 8.385 8.230 -0.003 0.000 0.434 109 S N 1.581 117.291 115.700 0.017 0.000 2.423 109 S HA -0.094 4.383 4.470 0.012 0.000 0.231 109 S C 0.488 175.098 174.600 0.017 0.000 1.014 109 S CA 2.907 61.115 58.200 0.015 0.000 0.965 109 S CB 0.708 63.918 63.200 0.016 0.000 0.785 109 S HN 0.269 8.591 8.310 0.020 0.000 0.495 110 T N 4.144 118.711 114.554 0.022 0.000 2.815 110 T HA 0.127 4.491 4.350 0.022 0.000 0.289 110 T C -1.474 173.246 174.700 0.034 0.000 1.000 110 T CA -0.628 61.487 62.100 0.025 0.000 0.958 110 T CB 1.674 70.557 68.868 0.026 0.000 0.944 110 T HN -0.557 7.665 8.240 0.024 0.033 0.442 111 S N 6.005 121.725 115.700 0.034 0.000 2.562 111 S HA -0.007 4.664 4.470 0.044 -0.175 0.281 111 S C -0.257 174.384 174.600 0.069 0.000 1.333 111 S CA 1.201 59.428 58.200 0.046 0.000 1.052 111 S CB 0.776 64.000 63.200 0.040 0.000 0.884 111 S HN 0.288 8.615 8.310 0.029 0.000 0.506 112 I N 4.688 125.321 120.570 0.105 0.000 2.382 112 I HA 0.390 4.619 4.170 0.099 0.000 0.285 112 I C -1.863 174.371 176.117 0.195 0.000 1.007 112 I CA -3.181 58.198 61.300 0.132 0.000 1.142 112 I CB 1.682 39.769 38.000 0.145 0.000 1.289 112 I HN 0.342 8.506 8.210 0.109 0.112 0.453 113 P HA 0.383 4.926 4.420 0.205 0.000 0.277 113 P C -0.881 176.435 177.300 0.026 0.000 1.240 113 P CA -0.966 62.211 63.100 0.128 0.000 0.798 113 P CB 0.623 32.364 31.700 0.069 0.000 0.979 114 S N 0.971 116.604 115.700 -0.112 0.000 2.592 114 S HA -0.137 4.214 4.470 -0.348 -0.090 0.271 114 S C -0.070 174.450 174.600 -0.134 0.000 1.326 114 S CA 0.616 58.622 58.200 -0.324 0.000 1.024 114 S CB 1.110 63.919 63.200 -0.651 0.000 0.921 114 S HN -0.116 8.185 8.310 -0.015 0.000 0.527 115 G N 3.774 112.502 108.800 -0.120 0.000 2.316 115 G HA2 -0.191 3.733 3.960 -0.059 0.000 0.468 115 G HA3 -0.191 3.742 3.960 -0.044 0.000 0.468 115 G C -1.322 173.553 174.900 -0.042 0.000 1.523 115 G CA -0.704 44.360 45.100 -0.061 0.000 0.972 115 G HN 0.247 8.446 8.290 -0.152 0.000 0.667 116 G N 1.396 110.180 108.800 -0.028 0.000 2.583 116 G HA2 -0.360 3.591 3.960 -0.015 0.000 0.292 116 G HA3 -0.360 3.593 3.960 -0.012 0.000 0.292 116 G C -0.969 173.919 174.900 -0.020 0.000 1.203 116 G CA 0.251 45.341 45.100 -0.018 0.000 0.987 116 G HN 0.201 8.475 8.290 -0.027 0.000 0.554 117 N N 2.903 121.598 118.700 -0.009 0.000 2.362 117 N HA 0.089 4.821 4.740 -0.013 0.000 0.204 117 N C -1.300 174.212 175.510 0.003 0.000 1.166 117 N CA 0.140 53.187 53.050 -0.004 0.000 0.831 117 N CB -0.048 38.443 38.487 0.007 0.000 1.008 117 N HN 0.161 8.539 8.380 -0.003 0.000 0.472 118 I N -0.988 119.573 120.570 -0.015 0.000 2.404 118 I HA 0.398 4.788 4.170 0.017 -0.210 0.293 118 I C -1.215 174.840 176.117 -0.103 0.000 0.992 118 I CA -1.130 60.157 61.300 -0.022 0.000 1.149 118 I CB 2.763 40.754 38.000 -0.014 0.000 1.315 118 I HN -0.586 7.523 8.210 -0.026 0.086 0.446 119 G N 4.396 113.149 108.800 -0.079 0.000 2.788 119 G HA2 0.470 4.175 3.960 -0.426 0.000 0.293 119 G HA3 0.470 4.392 3.960 -0.063 0.000 0.293 119 G C -2.506 172.354 174.900 -0.067 0.000 1.392 119 G CA -0.944 44.040 45.100 -0.193 0.000 0.810 119 G HN -0.244 7.951 8.290 0.022 0.108 0.508 120 Y N -1.768 118.621 120.300 0.148 0.000 2.446 120 Y HA 0.463 5.264 4.550 0.147 -0.163 0.338 120 Y C -0.618 175.275 175.900 -0.011 0.000 1.055 120 Y CA -2.491 55.668 58.100 0.098 0.000 1.101 120 Y CB 2.521 41.004 38.460 0.037 0.000 1.221 120 Y HN 0.068 8.300 8.280 -0.079 0.000 0.460 121 A N 1.685 124.465 122.820 -0.067 0.000 2.450 121 A HA 0.026 3.819 4.320 -0.878 0.000 0.255 121 A C -0.383 177.056 177.584 -0.241 0.000 1.096 121 A CA -0.087 51.602 52.037 -0.580 0.000 0.778 121 A CB 0.860 19.331 19.000 -0.882 0.000 1.031 121 A HN 0.053 8.224 8.150 0.035 0.000 0.494 122 R N 3.387 123.740 120.500 -0.245 0.000 2.234 122 R HA 0.057 4.348 4.340 -0.081 0.000 0.324 122 R C -1.393 174.823 176.300 -0.140 0.000 1.054 122 R CA -0.782 55.247 56.100 -0.118 0.000 0.912 122 R CB 0.717 30.986 30.300 -0.050 0.000 1.030 122 R HN 0.262 8.346 8.270 -0.310 0.000 0.455 123 L N 5.816 126.983 121.223 -0.094 0.000 2.334 123 L HA 0.199 4.486 4.340 -0.087 0.000 0.277 123 L C 0.338 177.183 176.870 -0.041 0.000 1.075 123 L CA -1.281 53.517 54.840 -0.071 0.000 0.804 123 L CB 1.584 43.613 42.059 -0.050 0.000 1.174 123 L HN 0.382 8.568 8.230 -0.075 0.000 0.438 124 A N 1.674 124.476 122.820 -0.031 0.000 2.561 124 A HA -0.195 4.105 4.320 -0.033 0.000 0.234 124 A C -0.124 177.447 177.584 -0.021 0.000 1.055 124 A CA 0.269 52.288 52.037 -0.029 0.000 0.756 124 A CB 0.504 19.481 19.000 -0.038 0.000 0.986 124 A HN 0.505 8.521 8.150 -0.028 0.117 0.505 125 A N 2.364 125.170 122.820 -0.023 0.000 2.483 125 A HA -0.075 4.236 4.320 -0.014 0.000 0.238 125 A C -0.258 177.321 177.584 -0.007 0.000 1.070 125 A CA -0.330 51.698 52.037 -0.016 0.000 0.770 125 A CB 0.514 19.503 19.000 -0.018 0.000 1.008 125 A HN 0.373 8.505 8.150 -0.029 0.000 0.497 126 S N 2.446 118.146 115.700 0.001 0.000 2.544 126 S HA -0.356 4.126 4.470 0.021 0.000 0.290 126 S C 1.463 176.069 174.600 0.010 0.000 1.276 126 S CA 1.917 60.124 58.200 0.012 0.000 1.075 126 S CB -0.387 62.821 63.200 0.014 0.000 0.849 126 S HN 0.260 8.569 8.310 -0.002 0.000 0.494 127 G N 7.263 116.074 108.800 0.017 0.000 2.217 127 G HA2 -0.361 3.612 3.960 0.021 0.000 0.246 127 G HA3 -0.361 3.605 3.960 0.010 0.000 0.246 127 G C -0.196 174.702 174.900 -0.002 0.000 0.990 127 G CA 0.382 45.489 45.100 0.012 0.000 0.627 127 G HN -0.008 8.324 8.290 0.026 -0.027 0.522 128 S N 1.385 117.075 115.700 -0.016 0.000 2.593 128 S HA -0.137 4.311 4.470 -0.038 0.000 0.269 128 S C -1.310 173.252 174.600 -0.064 0.000 1.334 128 S CA 0.515 58.690 58.200 -0.042 0.000 1.015 128 S CB 0.970 64.137 63.200 -0.056 0.000 0.912 128 S HN -0.494 7.737 8.310 -0.012 0.071 0.541 129 D N 0.755 121.100 120.400 -0.092 0.000 2.855 129 D HA 0.433 4.975 4.640 -0.163 0.000 0.241 129 D C -2.135 174.047 176.300 -0.198 0.000 1.277 129 D CA -2.597 51.324 54.000 -0.131 0.000 0.918 129 D CB 2.986 43.752 40.800 -0.055 0.000 1.462 129 D HN -0.279 8.041 8.370 -0.083 0.000 0.559 130 P HA -0.056 4.207 4.420 -0.261 0.000 0.264 130 P C -1.491 175.708 177.300 -0.168 0.000 1.193 130 P CA 0.043 62.948 63.100 -0.326 0.000 0.763 130 P CB 0.557 31.898 31.700 -0.599 0.000 0.810 131 V N 4.390 124.238 119.914 -0.110 0.000 2.555 131 V HA -0.174 3.917 4.120 -0.050 0.000 0.286 131 V C 0.061 176.132 176.094 -0.039 0.000 1.044 131 V CA -0.856 61.409 62.300 -0.059 0.000 1.026 131 V CB 0.328 32.124 31.823 -0.046 0.000 0.981 131 V HN -0.244 7.877 8.190 -0.115 0.000 0.480 132 A N 8.220 131.031 122.820 -0.016 0.000 2.540 132 A HA -0.374 4.095 4.320 0.011 -0.143 0.239 132 A C 0.954 178.536 177.584 -0.003 0.000 1.061 132 A CA 1.205 53.243 52.037 0.002 0.000 0.758 132 A CB -0.277 18.729 19.000 0.010 0.000 0.991 132 A HN 0.385 8.526 8.150 -0.014 0.000 0.502 133 G N 3.289 112.090 108.800 0.002 0.000 2.245 133 G HA2 -0.460 3.501 3.960 0.003 0.000 0.264 133 G HA3 -0.460 3.499 3.960 -0.002 0.000 0.264 133 G C -0.126 174.769 174.900 -0.008 0.000 0.985 133 G CA 0.011 45.110 45.100 -0.001 0.000 0.625 133 G HN 0.751 8.942 8.290 0.010 0.104 0.536 134 S N 1.611 117.300 115.700 -0.019 0.000 2.593 134 S HA -0.004 4.454 4.470 -0.021 0.000 0.269 134 S C -0.501 174.086 174.600 -0.021 0.000 1.334 134 S CA 0.354 58.538 58.200 -0.026 0.000 1.015 134 S CB 1.447 64.620 63.200 -0.044 0.000 0.912 134 S HN 0.214 8.226 8.310 -0.023 0.284 0.541 135 S N 2.762 118.451 115.700 -0.018 0.000 2.499 135 S HA 0.058 4.525 4.470 -0.006 0.000 0.279 135 S C -1.469 173.123 174.600 -0.013 0.000 1.219 135 S CA 0.867 59.062 58.200 -0.010 0.000 1.062 135 S CB 0.996 64.195 63.200 -0.003 0.000 0.978 135 S HN 0.349 8.648 8.310 -0.019 0.000 0.489 136 A N 3.755 126.568 122.820 -0.010 0.000 2.454 136 A HA 0.760 5.337 4.320 -0.005 -0.260 0.302 136 A C -1.966 175.619 177.584 0.001 0.000 1.079 136 A CA -1.720 50.309 52.037 -0.014 0.000 0.731 136 A CB 3.910 22.885 19.000 -0.041 0.000 1.299 136 A HN 0.610 8.756 8.150 -0.007 0.000 0.413 137 T N 3.349 117.918 114.554 0.025 0.000 2.841 137 T HA 0.738 5.291 4.350 0.031 -0.185 0.285 137 T C -1.010 173.688 174.700 -0.004 0.000 0.991 137 T CA -0.572 61.558 62.100 0.050 0.000 0.966 137 T CB 2.056 71.014 68.868 0.149 0.000 0.962 137 T HN 0.878 9.017 8.240 0.034 0.121 0.438 138 V N 6.427 126.308 119.914 -0.054 0.000 2.715 138 V HA 0.843 5.056 4.120 -0.147 -0.182 0.310 138 V C -2.364 173.600 176.094 -0.218 0.000 1.054 138 V CA -2.519 59.711 62.300 -0.116 0.000 0.928 138 V CB 3.372 35.184 31.823 -0.018 0.000 1.007 138 V HN 0.576 8.749 8.190 -0.028 0.000 0.437 139 A N 2.277 124.879 122.820 -0.363 0.000 2.539 139 A HA 1.028 5.272 4.320 -0.363 -0.142 0.296 139 A C -2.069 175.284 177.584 -0.385 0.000 1.073 139 A CA -1.749 49.991 52.037 -0.495 0.000 0.700 139 A CB 4.033 22.403 19.000 -1.050 0.000 1.296 139 A HN -0.155 7.804 8.150 -0.318 0.000 0.405 140 G N -1.323 107.225 108.800 -0.420 0.000 2.320 140 G HA2 0.231 3.950 3.960 -0.402 0.000 0.296 140 G HA3 0.231 4.276 3.960 -0.108 -0.150 0.296 140 G C -1.898 172.793 174.900 -0.347 0.000 1.306 140 G CA 0.566 45.472 45.100 -0.322 0.000 0.836 140 G HN 0.011 8.036 8.290 -0.441 0.000 0.517 141 W N 0.089 121.378 121.300 -0.018 0.000 2.966 141 W HA 0.341 5.002 4.660 0.003 0.000 0.406 141 W C -0.989 175.530 176.519 0.001 0.000 1.027 141 W CA -0.873 56.472 57.345 0.000 0.000 1.930 141 W CB 1.144 30.613 29.460 0.014 0.000 1.144 141 W HN 0.495 8.915 8.180 0.401 0.000 0.626 142 G N -1.439 107.454 108.800 0.156 0.000 2.653 142 G HA2 0.028 4.071 3.960 0.102 0.000 0.265 142 G HA3 0.028 4.133 3.960 0.058 -0.110 0.265 142 G C -0.810 174.129 174.900 0.065 0.000 1.237 142 G CA -1.073 44.082 45.100 0.092 0.000 0.946 142 G HN -0.503 8.111 8.290 0.114 -0.256 0.522 143 A N -0.032 122.814 122.820 0.044 0.000 2.531 143 A HA -0.136 4.210 4.320 0.044 0.000 0.236 143 A C 0.022 177.620 177.584 0.024 0.000 1.062 143 A CA 0.857 52.915 52.037 0.035 0.000 0.760 143 A CB 0.832 19.846 19.000 0.024 0.000 0.995 143 A HN -0.149 8.022 8.150 0.036 0.000 0.501 144 T N -4.319 110.249 114.554 0.024 0.000 3.060 144 T HA 0.189 4.818 4.350 0.012 -0.272 0.249 144 T C 0.169 174.877 174.700 0.014 0.000 1.079 144 T CA 0.016 62.126 62.100 0.016 0.000 1.013 144 T CB 1.042 69.921 68.868 0.017 0.000 0.975 144 T HN 0.341 8.598 8.240 0.028 0.000 0.518 145 S N 0.459 116.168 115.700 0.015 0.000 2.536 145 S HA 0.254 4.731 4.470 0.012 0.000 0.287 145 S C -1.140 173.466 174.600 0.011 0.000 1.101 145 S CA -1.287 56.920 58.200 0.012 0.000 0.950 145 S CB 2.718 65.925 63.200 0.013 0.000 1.056 145 S HN -0.412 7.854 8.310 0.017 0.055 0.481 146 E N 4.597 124.801 120.200 0.008 0.000 2.529 146 E HA -0.322 4.029 4.350 0.003 0.000 0.259 146 E C 0.836 177.439 176.600 0.005 0.000 0.966 146 E CA 1.708 58.110 56.400 0.004 0.000 0.937 146 E CB 0.339 30.040 29.700 0.002 0.000 0.923 146 E HN 0.440 8.805 8.360 0.009 0.000 0.468 147 G N 4.099 112.902 108.800 0.004 0.000 2.225 147 G HA2 -0.356 3.608 3.960 0.007 0.000 0.267 147 G HA3 -0.356 3.608 3.960 0.006 0.000 0.267 147 G C -0.219 174.689 174.900 0.012 0.000 1.024 147 G CA 0.034 45.139 45.100 0.007 0.000 0.784 147 G HN 0.525 8.816 8.290 0.002 0.000 0.507 148 G N -2.024 106.785 108.800 0.015 0.000 2.539 148 G HA2 0.107 4.077 3.960 0.018 0.000 0.258 148 G HA3 0.107 4.079 3.960 0.022 0.000 0.258 148 G C -0.678 174.236 174.900 0.024 0.000 1.202 148 G CA -1.389 43.723 45.100 0.020 0.000 0.851 148 G HN -0.242 7.969 8.290 0.015 0.088 0.556 149 S N -1.999 113.715 115.700 0.025 0.000 2.528 149 S HA -0.080 4.406 4.470 0.027 0.000 0.219 149 S C -0.535 174.084 174.600 0.032 0.000 0.985 149 S CA 0.941 59.157 58.200 0.027 0.000 0.914 149 S CB 0.446 63.659 63.200 0.022 0.000 0.776 149 S HN 0.110 8.434 8.310 0.023 0.000 0.526 150 S N 0.106 115.827 115.700 0.035 0.000 2.550 150 S HA 0.108 4.604 4.470 0.044 0.000 0.270 150 S C -2.300 172.330 174.600 0.050 0.000 1.145 150 S CA -0.184 58.041 58.200 0.042 0.000 0.852 150 S CB 2.308 65.531 63.200 0.038 0.000 1.119 150 S HN -0.590 7.695 8.310 0.033 0.045 0.465 151 T N 2.746 117.338 114.554 0.064 0.000 2.856 151 T HA 0.290 4.686 4.350 0.075 0.000 0.283 151 T C -1.638 173.124 174.700 0.103 0.000 1.008 151 T CA -2.932 59.218 62.100 0.084 0.000 0.997 151 T CB 0.791 69.711 68.868 0.088 0.000 0.992 151 T HN 0.059 8.336 8.240 0.062 0.000 0.454 152 P HA 0.173 4.655 4.420 0.105 0.000 0.271 152 P C -0.151 177.280 177.300 0.218 0.000 1.218 152 P CA -0.213 62.969 63.100 0.137 0.000 0.780 152 P CB 0.925 32.691 31.700 0.109 0.000 0.901 153 V N 1.102 121.124 119.914 0.181 0.000 2.453 153 V HA -0.344 3.886 4.120 0.183 0.000 0.247 153 V C -0.381 175.930 176.094 0.362 0.000 1.048 153 V CA 3.186 65.609 62.300 0.206 0.000 1.049 153 V CB 0.237 32.130 31.823 0.117 0.000 0.672 153 V HN 0.320 8.591 8.190 0.136 0.000 0.457 154 N N -3.392 115.473 118.700 0.276 0.000 2.456 154 N HA 0.266 5.448 4.740 0.367 -0.221 0.296 154 N C -0.083 175.437 175.510 0.018 0.000 1.102 154 N CA -1.332 51.862 53.050 0.239 0.000 0.924 154 N CB 0.936 39.499 38.487 0.126 0.000 1.186 154 N HN -0.604 7.893 8.380 0.195 0.000 0.492 155 L N 2.915 124.004 121.223 -0.223 0.000 2.490 155 L HA -0.128 3.379 4.340 -1.389 0.000 0.274 155 L C -1.254 175.403 176.870 -0.356 0.000 1.201 155 L CA 0.818 55.201 54.840 -0.761 0.000 0.869 155 L CB 0.674 42.309 42.059 -0.706 0.000 1.123 155 L HN -0.106 8.128 8.230 0.007 0.000 0.484 156 L N 4.857 125.859 121.223 -0.368 0.000 2.303 156 L HA 0.759 5.166 4.340 -0.121 -0.139 0.266 156 L C -1.396 175.370 176.870 -0.173 0.000 1.011 156 L CA -1.568 53.163 54.840 -0.182 0.000 0.818 156 L CB 3.041 45.028 42.059 -0.120 0.000 1.326 156 L HN 0.079 8.005 8.230 -0.507 0.000 0.435 157 K N -2.366 117.995 120.400 -0.066 0.000 2.512 157 K HA 0.999 5.426 4.320 -0.103 -0.169 0.263 157 K C -2.321 174.278 176.600 -0.002 0.000 0.966 157 K CA -1.766 54.504 56.287 -0.028 0.000 0.851 157 K CB 4.510 37.097 32.500 0.145 0.000 1.395 157 K HN 0.623 8.848 8.250 -0.042 0.000 0.440 158 V N 0.019 119.934 119.914 0.002 0.000 3.012 158 V HA 0.360 4.490 4.120 0.017 0.000 0.307 158 V C -2.856 173.251 176.094 0.021 0.000 1.166 158 V CA -1.304 61.004 62.300 0.013 0.000 0.974 158 V CB 3.350 35.177 31.823 0.007 0.000 1.040 158 V HN 0.462 8.645 8.190 -0.011 0.000 0.428 159 T N 8.904 123.472 114.554 0.023 0.000 2.771 159 T HA 0.811 5.363 4.350 0.022 -0.190 0.281 159 T C -1.151 173.559 174.700 0.016 0.000 0.982 159 T CA -0.335 61.778 62.100 0.021 0.000 0.978 159 T CB 0.834 69.716 68.868 0.023 0.000 0.930 159 T HN 0.245 8.498 8.240 0.021 0.000 0.447 160 V N 0.556 120.477 119.914 0.011 0.000 3.007 160 V HA 0.729 4.860 4.120 0.019 0.000 0.311 160 V C -2.875 173.227 176.094 0.012 0.000 1.120 160 V CA -4.533 57.777 62.300 0.017 0.000 0.980 160 V CB 1.867 33.708 31.823 0.030 0.000 1.033 160 V HN 0.595 8.788 8.190 0.005 0.000 0.429 161 P HA 0.434 5.041 4.420 0.008 -0.182 0.282 161 P C -0.652 176.668 177.300 0.034 0.000 1.249 161 P CA -1.677 61.433 63.100 0.016 0.000 0.806 161 P CB 1.039 32.748 31.700 0.014 0.000 0.984 162 I N 0.925 121.513 120.570 0.030 0.000 2.710 162 I HA -0.113 4.267 4.170 0.115 -0.141 0.286 162 I C 0.407 176.563 176.117 0.065 0.000 1.181 162 I CA -0.645 60.694 61.300 0.065 0.000 1.430 162 I CB -1.019 36.990 38.000 0.016 0.000 1.367 162 I HN 0.182 8.398 8.210 0.010 0.000 0.577 163 V N 7.594 127.566 119.914 0.096 0.000 2.435 163 V HA 0.196 4.347 4.120 0.052 0.000 0.290 163 V C -1.205 174.938 176.094 0.082 0.000 1.030 163 V CA -1.481 60.864 62.300 0.075 0.000 0.881 163 V CB 1.321 33.189 31.823 0.074 0.000 0.983 163 V HN 0.013 8.172 8.190 0.136 0.112 0.445 164 S N 5.612 121.345 115.700 0.056 0.000 2.563 164 S HA -0.094 4.410 4.470 0.056 0.000 0.284 164 S C 0.881 175.523 174.600 0.070 0.000 1.331 164 S CA -0.226 58.007 58.200 0.055 0.000 1.047 164 S CB 1.429 64.650 63.200 0.035 0.000 0.859 164 S HN 0.275 8.611 8.310 0.043 0.000 0.514 165 R N 4.516 125.062 120.500 0.077 0.000 2.120 165 R HA -0.415 3.982 4.340 0.096 0.000 0.234 165 R C 1.452 177.795 176.300 0.071 0.000 1.123 165 R CA 4.207 60.358 56.100 0.084 0.000 0.975 165 R CB -0.273 30.079 30.300 0.086 0.000 0.866 165 R HN 0.694 9.007 8.270 0.071 0.000 0.446 166 A N -2.442 120.410 122.820 0.054 0.000 1.877 166 A HA -0.184 4.165 4.320 0.048 0.000 0.216 166 A C 2.149 179.758 177.584 0.042 0.000 1.186 166 A CA 3.067 55.131 52.037 0.044 0.000 0.620 166 A CB -0.897 18.122 19.000 0.031 0.000 0.822 166 A HN 0.172 8.336 8.150 0.049 0.015 0.443 167 T N 1.293 115.868 114.554 0.036 0.000 2.746 167 T HA -0.443 3.913 4.350 0.010 0.000 0.267 167 T C 1.868 176.592 174.700 0.039 0.000 1.039 167 T CA 4.889 67.002 62.100 0.023 0.000 1.142 167 T CB -0.055 68.821 68.868 0.014 0.000 0.866 167 T HN -0.530 7.732 8.240 0.037 0.000 0.444 168 C N 1.104 120.450 119.300 0.076 0.000 2.425 168 C HA -0.231 4.475 4.460 0.151 -0.155 0.277 168 C C 2.400 177.506 174.990 0.192 0.000 1.280 168 C CA 3.090 62.193 59.018 0.143 0.000 1.744 168 C CB -1.900 25.915 27.740 0.125 0.000 1.989 168 C HN -0.054 8.220 8.230 0.073 0.000 0.491 169 R N -0.492 120.088 120.500 0.134 0.000 2.115 169 R HA -0.254 4.327 4.340 0.183 -0.131 0.230 169 R C 2.282 178.642 176.300 0.100 0.000 1.111 169 R CA 2.771 58.952 56.100 0.135 0.000 0.976 169 R CB -0.172 30.186 30.300 0.097 0.000 0.870 169 R HN 0.003 8.337 8.270 0.107 0.000 0.445 170 A N -2.682 120.169 122.820 0.052 0.000 1.969 170 A HA -0.246 4.085 4.320 0.018 0.000 0.218 170 A C 1.947 179.512 177.584 -0.032 0.000 1.169 170 A CA 2.455 54.498 52.037 0.010 0.000 0.635 170 A CB -0.627 18.365 19.000 -0.013 0.000 0.810 170 A HN -0.498 7.592 8.150 0.049 0.089 0.445 171 Q N -2.206 117.557 119.800 -0.062 0.000 2.049 171 Q HA -0.275 3.865 4.340 -0.333 0.000 0.198 171 Q C 1.388 177.273 176.000 -0.192 0.000 0.971 171 Q CA 2.785 58.434 55.803 -0.257 0.000 0.833 171 Q CB 0.687 29.186 28.738 -0.398 0.000 0.896 171 Q HN -0.585 7.565 8.270 -0.011 0.113 0.434 172 Y N -4.904 115.457 120.300 0.101 0.000 2.506 172 Y HA 0.053 4.753 4.550 0.251 0.000 0.287 172 Y C 2.553 178.546 175.900 0.154 0.000 1.147 172 Y CA 1.388 59.602 58.100 0.190 0.000 1.241 172 Y CB 0.626 39.227 38.460 0.236 0.000 1.279 172 Y HN -0.298 8.128 8.280 0.244 0.000 0.527 173 T N 0.328 114.940 114.554 0.097 0.000 2.737 173 T HA -0.209 4.192 4.350 0.085 0.000 0.265 173 T C 2.035 176.783 174.700 0.080 0.000 1.038 173 T CA 2.453 64.602 62.100 0.080 0.000 1.144 173 T CB -0.339 68.562 68.868 0.055 0.000 0.866 173 T HN 0.164 8.454 8.240 0.082 0.000 0.434 174 S N 1.246 116.987 115.700 0.067 0.000 2.481 174 S HA -0.098 4.398 4.470 0.044 0.000 0.231 174 S C -0.016 174.621 174.600 0.061 0.000 0.996 174 S CA 1.621 59.851 58.200 0.050 0.000 0.942 174 S CB -0.608 62.608 63.200 0.027 0.000 0.768 174 S HN 0.321 8.669 8.310 0.065 0.000 0.520 175 A N 0.207 123.090 122.820 0.106 0.000 2.014 175 A HA -0.136 4.216 4.320 0.052 0.000 0.218 175 A C -0.598 177.109 177.584 0.205 0.000 1.163 175 A CA 1.480 53.600 52.037 0.139 0.000 0.652 175 A CB 0.338 19.490 19.000 0.252 0.000 0.808 175 A HN -0.522 7.655 8.150 0.124 0.047 0.449 176 I N -1.368 119.312 120.570 0.182 0.000 2.328 176 I HA 0.292 4.587 4.170 0.208 0.000 0.287 176 I C -0.616 175.569 176.117 0.113 0.000 1.012 176 I CA -2.957 58.441 61.300 0.162 0.000 1.195 176 I CB -1.007 37.068 38.000 0.125 0.000 1.350 176 I HN -0.740 7.537 8.210 0.161 0.030 0.464 177 T N 4.902 119.519 114.554 0.104 0.000 2.884 177 T HA 0.341 4.729 4.350 0.063 0.000 0.277 177 T C 0.977 175.724 174.700 0.077 0.000 0.976 177 T CA -2.022 60.120 62.100 0.071 0.000 0.956 177 T CB 1.739 70.634 68.868 0.046 0.000 1.113 177 T HN -0.417 7.898 8.240 0.126 0.000 0.554 178 N N -2.329 116.408 118.700 0.062 0.000 2.571 178 N HA -0.134 4.653 4.740 0.078 0.000 0.189 178 N C -0.150 175.407 175.510 0.078 0.000 1.154 178 N CA 1.381 54.472 53.050 0.068 0.000 0.907 178 N CB -0.657 37.862 38.487 0.052 0.000 0.977 178 N HN 0.446 8.857 8.380 0.050 0.000 0.449 179 Q N -3.578 116.263 119.800 0.069 0.000 2.204 179 Q HA 0.203 4.594 4.340 0.086 0.000 0.209 179 Q C -1.263 174.802 176.000 0.109 0.000 0.861 179 Q CA -0.670 55.175 55.803 0.070 0.000 0.971 179 Q CB 0.030 28.767 28.738 -0.001 0.000 1.095 179 Q HN -0.675 7.566 8.270 0.058 0.065 0.486 180 M N -0.896 118.781 119.600 0.129 0.000 2.602 180 M HA 0.855 5.576 4.480 0.081 -0.193 0.312 180 M C -1.624 174.789 176.300 0.189 0.000 1.181 180 M CA -0.809 54.557 55.300 0.110 0.000 0.910 180 M CB 4.797 37.452 32.600 0.092 0.000 1.723 180 M HN -0.634 7.654 8.290 0.123 0.077 0.459 181 F N -2.547 117.450 119.950 0.077 0.000 2.650 181 F HA 0.603 5.157 4.527 0.045 0.000 0.320 181 F C -3.008 172.849 175.800 0.095 0.000 1.091 181 F CA -1.850 56.188 58.000 0.065 0.000 0.962 181 F CB 2.524 41.554 39.000 0.050 0.000 1.363 181 F HN 0.368 8.542 8.300 -0.209 0.000 0.482 182 C N -1.597 117.841 119.300 0.229 0.000 2.614 182 C HA 1.038 5.698 4.460 0.037 -0.178 0.320 182 C C -1.125 174.009 174.990 0.241 0.000 1.200 182 C CA -1.744 57.351 59.018 0.128 0.000 1.700 182 C CB 3.540 31.320 27.740 0.068 0.000 2.275 182 C HN 0.531 8.982 8.230 0.367 0.000 0.492 183 A N 1.429 124.378 122.820 0.216 0.000 2.513 183 A HA 0.690 5.229 4.320 0.134 -0.139 0.296 183 A C -2.831 174.841 177.584 0.147 0.000 1.052 183 A CA -0.418 51.717 52.037 0.163 0.000 0.714 183 A CB 3.512 22.556 19.000 0.072 0.000 1.279 183 A HN 0.774 9.057 8.150 0.222 0.000 0.397 184 V N 1.257 121.191 119.914 0.033 0.000 2.483 184 V HA 0.415 4.545 4.120 0.017 0.000 0.295 184 V C 0.345 176.444 176.094 0.009 0.000 1.035 184 V CA -2.958 59.353 62.300 0.019 0.000 0.896 184 V CB 3.373 35.206 31.823 0.017 0.000 0.986 184 V HN 0.163 8.376 8.190 0.037 0.000 0.447 185 S N 8.176 123.875 115.700 -0.002 0.000 2.382 185 S HA -0.163 4.290 4.470 -0.027 0.000 0.228 185 S C 0.836 175.424 174.600 -0.020 0.000 1.027 185 S CA 3.211 61.399 58.200 -0.020 0.000 0.991 185 S CB -0.032 63.153 63.200 -0.024 0.000 0.823 185 S HN 0.588 8.897 8.310 -0.001 0.000 0.469 186 S N -2.285 113.410 115.700 -0.009 0.000 2.603 186 S HA -0.054 4.410 4.470 -0.009 0.000 0.220 186 S C 0.023 174.626 174.600 0.006 0.000 0.967 186 S CA 0.059 58.256 58.200 -0.004 0.000 0.920 186 S CB -0.035 63.164 63.200 -0.002 0.000 0.773 186 S HN -0.345 7.947 8.310 -0.005 0.015 0.529 187 G N 1.586 110.393 108.800 0.012 0.000 3.153 187 G HA2 -0.343 3.635 3.960 0.029 0.000 0.686 187 G HA3 -0.343 3.716 3.960 0.025 -0.083 0.686 187 G C -1.093 173.819 174.900 0.020 0.000 0.995 187 G CA -0.080 45.034 45.100 0.022 0.000 0.783 187 G HN -0.464 7.633 8.290 0.009 0.198 0.551 188 K N 0.727 121.141 120.400 0.024 0.000 6.703 188 K HA -0.527 4.031 4.320 0.021 -0.226 0.800 188 K C -1.730 174.892 176.600 0.037 0.000 2.378 188 K CA 0.515 56.817 56.287 0.025 0.000 1.724 188 K CB -0.194 32.320 32.500 0.023 0.000 2.267 188 K HN 0.042 8.308 8.250 0.027 0.000 0.261 189 D N 1.269 121.691 120.400 0.036 0.000 2.755 189 D HA 0.287 4.974 4.640 0.078 0.000 0.277 189 D C -1.871 174.454 176.300 0.042 0.000 1.261 189 D CA -0.535 53.496 54.000 0.052 0.000 0.759 189 D CB 4.024 44.846 40.800 0.037 0.000 1.279 189 D HN -0.130 8.257 8.370 0.027 0.000 0.420 190 S N -1.025 114.709 115.700 0.057 0.000 2.617 190 S HA 0.134 4.715 4.470 0.018 -0.100 0.269 190 S C -1.234 173.358 174.600 -0.014 0.000 1.292 190 S CA 0.310 58.523 58.200 0.023 0.000 1.010 190 S CB 1.044 64.273 63.200 0.048 0.000 0.944 190 S HN 0.214 8.580 8.310 0.094 0.000 0.536 191 C N 0.117 119.408 119.300 -0.014 0.000 3.259 191 C HA 0.383 4.830 4.460 -0.020 0.000 0.328 191 C C -1.033 173.945 174.990 -0.020 0.000 1.425 191 C CA -1.105 57.904 59.018 -0.015 0.000 1.465 191 C CB 3.443 31.182 27.740 -0.001 0.000 1.890 191 C HN 0.277 8.797 8.230 -0.009 -0.295 0.450 192 Q N 1.767 121.554 119.800 -0.023 0.000 2.283 192 Q HA -0.177 4.132 4.340 -0.052 0.000 0.301 192 Q C 1.483 177.464 176.000 -0.030 0.000 1.063 192 Q CA 1.963 57.743 55.803 -0.038 0.000 0.952 192 Q CB 0.053 28.770 28.738 -0.034 0.000 1.166 192 Q HN 0.792 9.050 8.270 -0.020 0.000 0.381 193 G N 5.204 113.965 108.800 -0.065 0.000 2.217 193 G HA2 -0.445 3.638 3.960 -0.108 0.000 0.246 193 G HA3 -0.445 3.520 3.960 0.009 0.000 0.246 193 G C 0.599 175.510 174.900 0.019 0.000 0.990 193 G CA 0.965 46.041 45.100 -0.040 0.000 0.627 193 G HN 0.713 8.940 8.290 -0.106 0.000 0.522 194 D N 1.457 121.865 120.400 0.013 0.000 2.348 194 D HA 0.009 4.692 4.640 0.072 0.000 0.211 194 D C 0.061 176.370 176.300 0.015 0.000 0.998 194 D CA 1.421 55.441 54.000 0.032 0.000 0.873 194 D CB 0.186 40.993 40.800 0.012 0.000 0.925 194 D HN 0.212 8.493 8.370 -0.004 0.087 0.524 195 S N -1.078 114.610 115.700 -0.020 0.000 2.558 195 S HA -0.305 4.293 4.470 0.014 -0.120 0.291 195 S C 1.189 175.752 174.600 -0.061 0.000 1.306 195 S CA 2.663 60.848 58.200 -0.025 0.000 1.056 195 S CB -0.140 63.047 63.200 -0.021 0.000 0.836 195 S HN -0.209 8.028 8.310 -0.037 0.051 0.504 196 G N 4.745 113.521 108.800 -0.040 0.000 2.284 196 G HA2 -0.439 3.573 3.960 -0.027 0.000 0.247 196 G HA3 -0.439 3.596 3.960 -0.054 -0.107 0.247 196 G C -0.135 174.798 174.900 0.056 0.000 1.012 196 G CA 0.458 45.545 45.100 -0.022 0.000 0.618 196 G HN 0.589 8.764 8.290 -0.013 0.107 0.521 197 G N 1.058 109.900 108.800 0.070 0.000 2.616 197 G HA2 0.322 4.413 3.960 0.111 0.000 0.268 197 G HA3 0.322 4.321 3.960 0.065 0.000 0.268 197 G C -2.658 172.297 174.900 0.092 0.000 1.213 197 G CA -1.945 43.206 45.100 0.085 0.000 0.926 197 G HN -0.462 7.764 8.290 0.054 0.097 0.523 198 P HA 0.282 4.957 4.420 0.184 -0.145 0.282 198 P C -1.987 175.335 177.300 0.036 0.000 1.249 198 P CA -1.028 62.146 63.100 0.123 0.000 0.806 198 P CB 1.713 33.556 31.700 0.237 0.000 0.984 199 I N 2.291 122.916 120.570 0.091 0.000 2.418 199 I HA 0.754 5.104 4.170 -0.027 -0.196 0.287 199 I C -1.547 174.626 176.117 0.094 0.000 1.008 199 I CA -2.450 58.858 61.300 0.015 0.000 1.104 199 I CB 3.032 40.923 38.000 -0.180 0.000 1.264 199 I HN -0.267 8.030 8.210 0.145 0.000 0.438 200 V N 6.331 126.300 119.914 0.093 0.000 4.876 200 V HA 1.055 5.591 4.120 0.133 -0.336 0.280 200 V C 0.158 176.295 176.094 0.070 0.000 1.427 200 V CA -3.333 59.050 62.300 0.138 0.000 0.805 200 V CB 1.896 33.882 31.823 0.272 0.000 1.337 200 V HN 1.086 9.206 8.190 0.060 0.106 0.439 201 S N -0.446 115.263 115.700 0.016 0.000 2.528 201 S HA -0.041 4.446 4.470 0.029 0.000 0.219 201 S C 1.254 175.867 174.600 0.022 0.000 0.985 201 S CA 2.775 60.987 58.200 0.020 0.000 0.914 201 S CB -0.013 63.189 63.200 0.005 0.000 0.776 201 S HN 0.009 8.320 8.310 0.001 0.000 0.526 202 S N 2.696 118.410 115.700 0.024 0.000 2.575 202 S HA -0.053 4.426 4.470 0.015 0.000 0.215 202 S C -0.415 174.216 174.600 0.051 0.000 0.966 202 S CA 0.596 58.811 58.200 0.025 0.000 0.911 202 S CB 0.031 63.240 63.200 0.014 0.000 0.780 202 S HN -0.345 7.978 8.310 0.021 0.000 0.514 203 N N -2.863 115.891 118.700 0.090 0.000 2.850 203 N HA -0.356 4.522 4.740 0.230 0.000 0.249 203 N C -1.473 174.149 175.510 0.187 0.000 1.060 203 N CA 2.176 55.331 53.050 0.174 0.000 0.825 203 N CB -1.757 36.815 38.487 0.142 0.000 1.132 203 N HN 0.868 9.159 8.380 0.085 0.141 0.564 210 I N -0.841 119.766 120.570 0.062 0.000 4.187 210 I HA 0.460 4.640 4.170 0.016 0.000 0.326 210 I C -1.141 175.127 176.117 0.252 0.000 1.302 210 I CA -0.600 60.728 61.300 0.046 0.000 1.196 210 I CB 1.777 39.696 38.000 -0.135 0.000 1.095 210 I HN 0.230 8.490 8.210 0.084 0.000 0.411 211 G N -1.850 107.133 108.800 0.304 0.000 2.550 211 G HA2 0.336 4.634 3.960 0.354 0.000 0.293 211 G HA3 0.336 4.595 3.960 0.501 0.002 0.293 211 G C -3.293 171.756 174.900 0.249 0.000 1.402 211 G CA 0.137 45.460 45.100 0.372 0.000 0.784 211 G HN -0.659 7.769 8.290 0.229 0.000 0.482 212 A N -1.841 121.115 122.820 0.227 0.000 2.365 212 A HA 1.009 5.656 4.320 0.194 -0.211 0.318 212 A C -0.964 176.742 177.584 0.202 0.000 1.091 212 A CA -2.718 49.433 52.037 0.190 0.000 0.763 212 A CB 3.583 22.659 19.000 0.126 0.000 1.248 212 A HN -0.067 8.212 8.150 0.216 0.000 0.442 213 V N 0.989 121.013 119.914 0.184 0.000 2.584 213 V HA -0.277 3.725 4.120 -0.197 0.000 0.303 213 V C -0.396 175.670 176.094 -0.047 0.000 1.035 213 V CA 2.081 64.376 62.300 -0.008 0.000 1.172 213 V CB -1.309 30.528 31.823 0.024 0.000 0.896 213 V HN 0.075 8.375 8.190 0.183 0.000 0.486 214 S N 6.976 122.561 115.700 -0.192 0.000 3.526 214 S HA 0.249 4.869 4.470 0.249 0.000 0.222 214 S C -1.027 173.644 174.600 0.117 0.000 1.001 214 S CA 0.521 58.767 58.200 0.077 0.000 0.831 214 S CB 2.754 66.020 63.200 0.110 0.000 0.941 214 S HN 0.038 8.056 8.310 -0.486 0.000 0.585 215 W N -4.218 116.900 121.300 -0.304 0.000 2.959 215 W HA 0.206 4.710 4.660 -0.259 0.000 0.358 215 W C -2.896 173.452 176.519 -0.286 0.000 1.228 215 W CA -0.607 56.568 57.345 -0.282 0.000 1.183 215 W CB 0.612 29.905 29.460 -0.279 0.000 1.467 215 W HN -0.140 7.781 8.180 -0.431 0.000 0.578 216 G N -2.919 105.855 108.800 -0.043 0.000 2.356 216 G HA2 -0.078 3.568 3.960 -0.523 0.000 0.294 216 G HA3 -0.078 3.764 3.960 -0.197 0.000 0.294 216 G C -2.502 172.490 174.900 0.153 0.000 1.423 216 G CA 0.288 45.286 45.100 -0.169 0.000 0.806 216 G HN -0.013 8.414 8.290 0.227 0.000 0.527 220 C N 4.012 123.311 119.300 -0.002 0.000 3.206 220 C HA 0.294 4.879 4.460 0.001 -0.124 0.206 220 C C -1.909 173.093 174.990 0.020 0.000 1.836 220 C CA -0.346 58.675 59.018 0.005 0.000 1.382 220 C CB -1.715 26.024 27.740 -0.001 0.000 2.405 220 C HN 0.170 8.877 8.230 -0.004 -0.479 0.516 221 R N 0.041 120.583 120.500 0.070 0.000 3.197 221 R HA 0.240 4.621 4.340 0.068 0.000 0.261 221 R C -3.050 173.308 176.300 0.097 0.000 1.015 221 R CA -1.268 54.889 56.100 0.094 0.000 0.949 221 R CB 1.046 31.430 30.300 0.140 0.000 1.256 221 R HN 0.307 8.622 8.270 0.074 0.000 0.514 222 P HA -0.152 4.467 4.420 0.004 -0.196 0.266 222 P C -0.433 176.846 177.300 -0.034 0.000 1.195 222 P CA 0.527 63.637 63.100 0.016 0.000 0.768 222 P CB 0.119 31.821 31.700 0.003 0.000 0.838 223 N N -3.878 114.747 118.700 -0.125 0.000 2.753 223 N HA -0.474 4.114 4.740 -0.254 0.000 0.251 223 N C -1.797 173.316 175.510 -0.661 0.000 1.097 223 N CA 1.966 54.818 53.050 -0.331 0.000 0.786 223 N CB -1.125 37.128 38.487 -0.390 0.000 1.137 223 N HN 0.324 8.655 8.380 -0.082 0.000 0.566 224 Y N -1.922 118.307 120.300 -0.119 0.000 2.445 224 Y HA -0.010 4.334 4.550 -0.342 0.000 0.332 224 Y C -1.281 174.622 175.900 0.005 0.000 1.037 224 Y CA -1.064 56.928 58.100 -0.179 0.000 1.296 224 Y CB 0.761 39.104 38.460 -0.194 0.000 1.099 224 Y HN -0.857 7.347 8.280 -0.020 0.064 0.496 225 S N 3.000 118.813 115.700 0.188 0.000 2.576 225 S HA -0.088 4.441 4.470 0.100 0.000 0.272 225 S C 0.247 174.894 174.600 0.077 0.000 1.352 225 S CA 1.332 59.617 58.200 0.141 0.000 1.021 225 S CB 0.780 64.055 63.200 0.124 0.000 0.887 225 S HN -0.099 8.600 8.310 0.161 -0.292 0.542 226 G N 0.381 109.182 108.800 0.002 0.000 2.442 226 G HA2 0.227 4.004 3.960 -0.306 0.000 0.249 226 G HA3 0.227 4.200 3.960 -0.167 -0.113 0.249 226 G C -2.029 172.609 174.900 -0.436 0.000 1.263 226 G CA -0.123 44.842 45.100 -0.224 0.000 0.846 226 G HN -0.144 8.186 8.290 0.067 0.000 0.555 227 V N 2.787 122.153 119.914 -0.912 0.000 2.513 227 V HA 0.535 4.400 4.120 -0.662 -0.141 0.299 227 V C -1.008 174.443 176.094 -1.071 0.000 1.035 227 V CA -2.219 59.480 62.300 -1.002 0.000 0.889 227 V CB 1.769 32.592 31.823 -1.667 0.000 0.988 227 V HN 0.180 7.793 8.190 -0.961 0.000 0.440 228 Y N 4.412 124.333 120.300 -0.631 0.000 2.462 228 Y HA 0.389 4.841 4.550 -0.367 -0.122 0.346 228 Y C -1.317 174.336 175.900 -0.412 0.000 0.976 228 Y CA -2.061 55.680 58.100 -0.597 0.000 1.044 228 Y CB 4.227 42.023 38.460 -1.108 0.000 1.230 228 Y HN 0.698 8.646 8.280 -0.553 0.000 0.455 229 A N 2.333 125.138 122.820 -0.024 0.000 2.409 229 A HA 0.275 4.766 4.320 0.075 -0.126 0.262 229 A C -1.104 176.587 177.584 0.178 0.000 1.113 229 A CA -0.909 51.175 52.037 0.078 0.000 0.790 229 A CB 0.598 19.659 19.000 0.102 0.000 1.046 229 A HN 0.447 8.599 8.150 0.002 0.000 0.496 230 S N 3.852 119.699 115.700 0.243 0.000 2.439 230 S HA 0.225 5.180 4.470 0.596 -0.127 0.282 230 S C 0.961 175.701 174.600 0.232 0.000 1.170 230 S CA -2.139 56.287 58.200 0.378 0.000 1.054 230 S CB 0.683 64.097 63.200 0.357 0.000 0.956 230 S HN -0.051 8.371 8.310 0.186 0.000 0.490 231 V N 8.210 128.260 119.914 0.226 0.000 2.343 231 V HA -0.377 3.842 4.120 0.164 0.000 0.247 231 V C 1.897 178.060 176.094 0.116 0.000 1.051 231 V CA 3.303 65.695 62.300 0.153 0.000 1.036 231 V CB -0.474 31.421 31.823 0.119 0.000 0.654 231 V HN 0.362 8.722 8.190 0.283 0.000 0.451 232 G N -1.155 107.696 108.800 0.085 0.000 2.446 232 G HA2 -0.328 3.766 3.960 0.044 0.000 0.217 232 G HA3 -0.328 3.651 3.960 0.032 0.000 0.217 232 G C 0.117 175.062 174.900 0.076 0.000 1.168 232 G CA 2.074 47.207 45.100 0.055 0.000 0.771 232 G HN 0.054 8.394 8.290 0.083 0.000 0.551 233 A N -0.577 122.300 122.820 0.095 0.000 2.067 233 A HA -0.107 4.260 4.320 0.078 0.000 0.219 233 A C 0.393 178.042 177.584 0.110 0.000 1.158 233 A CA 1.738 53.830 52.037 0.091 0.000 0.661 233 A CB -0.002 19.052 19.000 0.090 0.000 0.801 233 A HN -0.690 7.525 8.150 0.109 0.000 0.452 234 L N -5.433 115.876 121.223 0.143 0.000 3.014 234 L HA 0.283 4.766 4.340 0.238 0.000 0.263 234 L C 0.212 177.247 176.870 0.275 0.000 1.207 234 L CA -1.265 53.709 54.840 0.223 0.000 1.017 234 L CB -0.157 42.020 42.059 0.196 0.000 1.360 234 L HN -0.826 7.327 8.230 0.140 0.161 0.560 235 R N 0.376 120.980 120.500 0.173 0.000 2.096 235 R HA -0.331 4.079 4.340 0.116 0.000 0.235 235 R C 1.644 178.012 176.300 0.113 0.000 1.127 235 R CA 2.604 58.777 56.100 0.121 0.000 0.968 235 R CB -0.698 29.642 30.300 0.067 0.000 0.861 235 R HN -0.807 7.479 8.270 0.143 0.070 0.440 236 S N -1.013 114.770 115.700 0.138 0.000 2.368 236 S HA -0.276 4.220 4.470 0.043 0.000 0.225 236 S C 1.836 176.508 174.600 0.120 0.000 1.030 236 S CA 3.847 62.108 58.200 0.100 0.000 0.999 236 S CB -0.665 62.600 63.200 0.109 0.000 0.844 236 S HN 0.228 8.630 8.310 0.152 0.000 0.459 237 F N 3.485 123.497 119.950 0.103 0.000 2.095 237 F HA -0.285 4.316 4.527 0.124 0.000 0.298 237 F C 1.105 176.997 175.800 0.153 0.000 1.104 237 F CA 2.856 60.940 58.000 0.140 0.000 1.232 237 F CB -0.090 39.024 39.000 0.190 0.000 0.987 237 F HN -0.869 7.684 8.300 0.423 0.000 0.475 238 I N -1.343 119.199 120.570 -0.047 0.000 2.163 238 I HA -0.697 3.237 4.170 -0.393 0.000 0.243 238 I C 1.676 177.671 176.117 -0.202 0.000 1.085 238 I CA 4.256 65.441 61.300 -0.193 0.000 1.347 238 I CB -0.418 37.582 38.000 -0.000 0.000 1.044 238 I HN -0.624 7.713 8.210 0.211 0.000 0.408 239 D N -0.727 119.591 120.400 -0.136 0.000 2.178 239 D HA -0.188 4.372 4.640 -0.133 0.000 0.202 239 D C 2.295 178.444 176.300 -0.252 0.000 0.974 239 D CA 2.982 56.892 54.000 -0.151 0.000 0.841 239 D CB -0.490 40.252 40.800 -0.096 0.000 0.953 239 D HN -0.144 8.179 8.370 -0.077 0.000 0.478 240 T N -0.023 114.296 114.554 -0.393 0.000 2.746 240 T HA -0.269 3.762 4.350 -0.532 0.000 0.267 240 T C 0.689 174.875 174.700 -0.858 0.000 1.039 240 T CA 3.396 65.057 62.100 -0.732 0.000 1.142 240 T CB 0.434 68.579 68.868 -1.204 0.000 0.866 240 T HN -0.423 7.594 8.240 -0.332 0.023 0.444 241 Y N -2.956 117.185 120.300 -0.266 0.000 2.442 241 Y HA 0.035 4.479 4.550 -0.176 0.000 0.250 241 Y C -0.998 174.778 175.900 -0.207 0.000 1.113 241 Y CA -0.134 57.816 58.100 -0.249 0.000 1.273 241 Y CB 0.773 39.013 38.460 -0.367 0.000 1.138 241 Y HN -0.877 7.111 8.280 -0.445 0.024 0.522 242 A N 0.000 122.747 122.820 -0.121 0.000 2.254 242 A HA 0.000 4.264 4.320 -0.094 0.000 0.244 242 A CA 0.000 51.972 52.037 -0.107 0.000 0.836 242 A CB 0.000 18.929 19.000 -0.118 0.000 0.831 242 A HN 0.000 8.047 8.150 -0.172 0.000 0.486