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 1gdu_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 4.167 4.170 -0.005 0.000 0.288 16 I C 0.000 176.116 176.117 -0.002 0.000 1.063 16 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 16 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 17 V N 5.697 125.615 119.914 0.006 0.000 2.427 17 V HA 0.273 4.398 4.120 0.009 0.000 0.286 17 V C 0.673 176.773 176.094 0.011 0.000 1.034 17 V CA -1.623 60.683 62.300 0.010 0.000 0.893 17 V CB 0.572 32.404 31.823 0.014 0.000 0.982 17 V HN 0.655 8.851 8.190 0.010 0.000 0.452 18 G N 6.299 115.104 108.800 0.009 0.000 2.143 18 G HA2 -0.355 3.610 3.960 0.009 0.000 0.248 18 G HA3 -0.355 3.766 3.960 0.012 -0.154 0.248 18 G C -0.620 174.284 174.900 0.006 0.000 0.991 18 G CA 0.228 45.334 45.100 0.009 0.000 0.689 18 G HN 0.558 8.853 8.290 0.008 0.000 0.522 19 G N -2.326 106.474 108.800 0.000 0.000 2.537 19 G HA2 0.337 4.358 3.960 -0.001 0.000 0.297 19 G HA3 0.337 4.311 3.960 -0.014 -0.022 0.297 19 G C -1.728 173.169 174.900 -0.005 0.000 1.310 19 G CA -0.907 44.190 45.100 -0.005 0.000 1.027 19 G HN -0.444 7.818 8.290 -0.001 0.028 0.505 20 T N -1.870 112.680 114.554 -0.007 0.000 2.906 20 T HA 0.322 4.669 4.350 -0.005 0.000 0.295 20 T C -0.949 173.744 174.700 -0.013 0.000 1.075 20 T CA -1.879 60.217 62.100 -0.006 0.000 1.005 20 T CB 1.202 70.070 68.868 0.000 0.000 1.136 20 T HN 0.077 8.312 8.240 -0.008 0.000 0.498 21 S N 2.342 118.035 115.700 -0.011 0.000 2.549 21 S HA 0.039 4.613 4.470 -0.030 -0.122 0.286 21 S C 0.382 174.977 174.600 -0.008 0.000 1.314 21 S CA -0.082 58.108 58.200 -0.016 0.000 1.062 21 S CB 0.030 63.227 63.200 -0.005 0.000 0.865 21 S HN 0.028 8.334 8.310 -0.007 0.000 0.498 22 A N 5.971 128.784 122.820 -0.012 0.000 2.407 22 A HA -0.047 4.389 4.320 0.041 -0.092 0.248 22 A C -0.315 177.271 177.584 0.003 0.000 1.082 22 A CA -0.128 51.924 52.037 0.024 0.000 0.785 22 A CB 1.166 20.205 19.000 0.066 0.000 1.020 22 A HN -0.062 8.064 8.150 -0.041 0.000 0.489 23 S N 2.149 117.841 115.700 -0.014 0.000 2.687 23 S HA 0.154 4.618 4.470 -0.010 0.000 0.283 23 S C -0.271 174.314 174.600 -0.024 0.000 1.170 23 S CA -0.417 57.769 58.200 -0.023 0.000 1.008 23 S CB 1.822 64.998 63.200 -0.040 0.000 1.026 23 S HN 0.070 8.698 8.310 -0.026 -0.334 0.541 24 A N 0.799 123.611 122.820 -0.014 0.000 2.546 24 A HA -0.147 4.176 4.320 0.005 0.000 0.243 24 A C 0.857 178.417 177.584 -0.039 0.000 1.063 24 A CA 1.651 53.682 52.037 -0.010 0.000 0.757 24 A CB -0.375 18.624 19.000 -0.002 0.000 0.991 24 A HN 0.262 8.406 8.150 -0.009 0.000 0.503 25 G N 3.655 112.429 108.800 -0.043 0.000 2.184 25 G HA2 -0.434 3.490 3.960 -0.060 0.000 0.264 25 G HA3 -0.434 3.488 3.960 -0.064 0.000 0.264 25 G C 0.108 174.918 174.900 -0.149 0.000 0.975 25 G CA 0.657 45.714 45.100 -0.073 0.000 0.642 25 G HN 0.114 8.390 8.290 -0.022 0.000 0.536 26 D N 0.484 120.759 120.400 -0.209 0.000 2.144 26 D HA -0.159 4.221 4.640 -0.434 0.000 0.199 26 D C 0.267 176.080 176.300 -0.813 0.000 0.984 26 D CA 2.290 55.994 54.000 -0.494 0.000 0.834 26 D CB 0.482 40.959 40.800 -0.537 0.000 0.955 26 D HN -0.311 7.905 8.370 -0.142 0.068 0.465 27 F N -4.188 115.616 119.950 -0.244 0.000 2.769 27 F HA 0.499 4.684 4.527 -0.571 0.000 0.358 27 F C -1.779 173.685 175.800 -0.560 0.000 1.285 27 F CA -3.519 54.157 58.000 -0.540 0.000 1.199 27 F CB -0.186 38.456 39.000 -0.597 0.000 1.558 27 F HN -0.505 7.681 8.300 -0.159 0.019 0.583 28 P HA -0.089 4.440 4.420 -0.052 -0.141 0.221 28 P C 0.488 177.781 177.300 -0.011 0.000 1.145 28 P CA 1.746 64.804 63.100 -0.071 0.000 0.795 28 P CB 0.174 31.887 31.700 0.022 0.000 0.775 29 F N -7.628 112.413 119.950 0.152 0.000 2.765 29 F HA 0.426 5.191 4.527 0.161 -0.141 0.302 29 F C -0.534 175.374 175.800 0.180 0.000 1.111 29 F CA -2.702 55.398 58.000 0.167 0.000 1.359 29 F CB -0.504 38.599 39.000 0.172 0.000 1.097 29 F HN -0.438 7.440 8.300 -0.613 0.054 0.577 30 I N 1.922 122.401 120.570 -0.152 0.000 2.634 30 I HA 0.180 4.596 4.170 0.164 -0.147 0.284 30 I C -0.921 175.323 176.117 0.211 0.000 1.124 30 I CA -0.218 61.114 61.300 0.052 0.000 1.417 30 I CB 1.288 39.233 38.000 -0.093 0.000 1.396 30 I HN -0.680 7.272 8.210 -0.342 0.053 0.571 31 V N 2.502 122.571 119.914 0.257 0.000 2.823 31 V HA 0.886 5.253 4.120 0.187 -0.135 0.312 31 V C -1.277 174.935 176.094 0.197 0.000 1.072 31 V CA -2.900 59.521 62.300 0.202 0.000 0.937 31 V CB 3.674 35.579 31.823 0.136 0.000 1.013 31 V HN 0.199 8.544 8.190 0.258 0.000 0.430 32 S N 1.550 117.189 115.700 -0.102 0.000 2.541 32 S HA 0.372 4.743 4.470 -0.164 0.000 0.283 32 S C -0.731 173.801 174.600 -0.114 0.000 1.196 32 S CA -1.561 56.428 58.200 -0.351 0.000 1.062 32 S CB 1.872 64.402 63.200 -1.117 0.000 1.009 32 S HN -0.023 8.207 8.310 -0.134 0.000 0.502 33 I N 3.043 123.611 120.570 -0.004 0.000 2.411 33 I HA 0.523 4.934 4.170 0.093 -0.185 0.284 33 I C -0.790 175.435 176.117 0.181 0.000 1.012 33 I CA -1.209 60.164 61.300 0.121 0.000 1.119 33 I CB 1.653 39.772 38.000 0.199 0.000 1.261 33 I HN 0.291 8.506 8.210 0.007 0.000 0.448 34 S N 7.365 123.135 115.700 0.116 0.000 2.654 34 S HA 0.912 5.580 4.470 0.136 -0.116 0.283 34 S C -1.341 173.277 174.600 0.031 0.000 1.180 34 S CA -1.559 56.691 58.200 0.084 0.000 1.021 34 S CB 2.905 66.098 63.200 -0.013 0.000 1.018 34 S HN 0.398 8.756 8.310 0.079 0.000 0.532 38 G N -0.527 108.195 108.800 -0.130 0.000 2.162 38 G HA2 -0.298 3.618 3.960 -0.075 0.000 0.260 38 G HA3 -0.298 3.619 3.960 -0.072 0.000 0.260 38 G C -0.790 174.079 174.900 -0.051 0.000 0.976 38 G CA 0.791 45.843 45.100 -0.080 0.000 0.655 38 G HN 0.343 8.507 8.290 -0.153 0.035 0.533 39 G N -0.649 108.127 108.800 -0.040 0.000 2.685 39 G HA2 0.516 4.480 3.960 0.006 0.000 0.298 39 G HA3 0.516 4.493 3.960 0.028 0.000 0.298 39 G C -3.133 171.809 174.900 0.069 0.000 1.277 39 G CA -2.433 42.675 45.100 0.014 0.000 0.986 39 G HN -0.493 7.589 8.290 -0.069 0.167 0.487 40 P HA -0.227 4.245 4.420 0.086 0.000 0.271 40 P C -1.735 175.744 177.300 0.300 0.000 1.218 40 P CA 0.158 63.337 63.100 0.131 0.000 0.780 40 P CB 1.125 32.880 31.700 0.092 0.000 0.901 41 W N 1.884 123.203 121.300 0.032 0.000 5.441 41 W HA 0.170 4.870 4.660 0.066 0.000 0.169 41 W C -1.629 174.943 176.519 0.087 0.000 1.574 41 W CA 0.458 57.845 57.345 0.069 0.000 2.017 41 W CB 1.902 31.420 29.460 0.096 0.000 0.678 41 W HN -0.130 8.211 8.180 0.268 0.000 1.088 42 c N -4.069 114.616 118.600 0.141 0.000 3.340 42 c HA 0.503 5.158 4.570 -0.051 -0.115 0.333 42 c C -1.429 172.739 174.090 0.130 0.000 1.464 42 c CA -0.439 55.906 56.329 0.027 0.000 1.337 42 c CB 3.770 46.267 42.510 -0.021 0.000 1.740 42 c HN -0.201 8.199 8.230 0.284 0.000 0.450 43 G N -1.252 107.626 108.800 0.129 0.000 2.667 43 G HA2 0.823 5.050 3.960 0.249 0.000 0.310 43 G HA3 0.823 4.926 3.960 0.240 0.000 0.310 43 G C -2.584 172.397 174.900 0.135 0.000 1.259 43 G CA -1.715 43.506 45.100 0.202 0.000 1.019 43 G HN 0.483 8.818 8.290 0.075 0.000 0.496 44 G N -3.822 105.079 108.800 0.168 0.000 2.550 44 G HA2 0.536 4.822 3.960 0.117 0.000 0.293 44 G HA3 0.536 4.566 3.960 0.117 0.000 0.293 44 G C -2.852 172.173 174.900 0.207 0.000 1.402 44 G CA 0.224 45.409 45.100 0.142 0.000 0.784 44 G HN -0.326 8.094 8.290 0.218 0.000 0.482 45 S N -0.610 115.218 115.700 0.212 0.000 2.532 45 S HA 0.633 5.538 4.470 0.462 -0.158 0.299 45 S C -1.424 173.319 174.600 0.238 0.000 1.105 45 S CA -0.743 57.652 58.200 0.325 0.000 1.018 45 S CB 3.424 66.791 63.200 0.278 0.000 1.021 45 S HN 0.230 8.635 8.310 0.158 0.000 0.483 46 L N 6.124 127.533 121.223 0.311 0.000 2.369 46 L HA 0.139 4.713 4.340 0.166 -0.134 0.279 46 L C -0.843 176.145 176.870 0.197 0.000 1.108 46 L CA -0.181 54.807 54.840 0.247 0.000 0.852 46 L CB 0.426 42.687 42.059 0.336 0.000 1.169 46 L HN 0.615 9.095 8.230 0.418 0.000 0.452 47 L N 7.763 129.011 121.223 0.041 0.000 2.298 47 L HA -0.062 4.273 4.340 -0.007 0.000 0.209 47 L C -0.056 176.670 176.870 -0.240 0.000 1.084 47 L CA 1.126 55.937 54.840 -0.048 0.000 0.816 47 L CB 0.295 42.313 42.059 -0.069 0.000 0.967 47 L HN 0.643 8.884 8.230 0.018 0.000 0.460 48 N N -4.159 114.259 118.700 -0.470 0.000 3.378 48 N HA 0.012 3.604 4.740 -1.913 0.000 0.294 48 N C -0.620 174.428 175.510 -0.771 0.000 1.544 48 N CA -0.285 52.166 53.050 -0.999 0.000 0.872 48 N CB 0.546 38.735 38.487 -0.497 0.000 1.670 48 N HN -0.754 7.449 8.380 -0.294 0.000 0.551 49 A N -3.197 119.289 122.820 -0.557 0.000 2.019 49 A HA -0.073 4.468 4.320 0.067 -0.181 0.219 49 A C 0.294 177.855 177.584 -0.039 0.000 1.164 49 A CA 2.501 54.476 52.037 -0.103 0.000 0.644 49 A CB 0.089 19.097 19.000 0.013 0.000 0.805 49 A HN 0.438 8.255 8.150 -0.556 0.000 0.449 50 N N -6.846 111.805 118.700 -0.082 0.000 2.299 50 N HA 0.173 4.906 4.740 -0.011 0.000 0.246 50 N C -1.847 173.637 175.510 -0.043 0.000 1.254 50 N CA -1.374 51.653 53.050 -0.037 0.000 0.879 50 N CB 1.306 39.777 38.487 -0.026 0.000 1.214 50 N HN -0.444 8.054 8.380 -0.133 -0.198 0.510 51 T N 2.594 117.111 114.554 -0.062 0.000 2.928 51 T HA 0.621 5.154 4.350 -0.042 -0.208 0.296 51 T C -2.088 172.599 174.700 -0.022 0.000 1.000 51 T CA 0.121 62.190 62.100 -0.052 0.000 0.989 51 T CB 3.237 72.057 68.868 -0.080 0.000 1.005 51 T HN -0.696 7.516 8.240 -0.081 -0.021 0.442 52 V N 6.517 126.428 119.914 -0.005 0.000 2.555 52 V HA 0.620 4.947 4.120 0.049 -0.177 0.302 52 V C -2.339 173.765 176.094 0.016 0.000 1.038 52 V CA -1.815 60.501 62.300 0.026 0.000 0.887 52 V CB 3.560 35.404 31.823 0.035 0.000 0.991 52 V HN 0.655 8.835 8.190 -0.016 0.000 0.434 53 L N 7.524 128.771 121.223 0.040 0.000 2.289 53 L HA 0.807 5.336 4.340 0.040 -0.165 0.285 53 L C -1.819 175.081 176.870 0.051 0.000 1.049 53 L CA -1.337 53.531 54.840 0.047 0.000 0.804 53 L CB 2.279 44.373 42.059 0.058 0.000 1.195 53 L HN 0.499 8.764 8.230 0.059 0.000 0.428 54 T N 5.118 119.687 114.554 0.025 0.000 2.681 54 T HA 0.479 5.012 4.350 0.019 -0.172 0.296 54 T C -2.100 172.573 174.700 -0.044 0.000 1.157 54 T CA -2.881 59.216 62.100 -0.006 0.000 1.025 54 T CB 2.124 70.970 68.868 -0.036 0.000 1.441 54 T HN 0.163 8.418 8.240 0.025 0.000 0.504 55 A N 0.074 122.824 122.820 -0.116 0.000 2.401 55 A HA 0.327 4.778 4.320 -0.112 -0.198 0.259 55 A C 0.498 177.922 177.584 -0.266 0.000 1.103 55 A CA -0.644 51.281 52.037 -0.187 0.000 0.789 55 A CB 0.997 19.808 19.000 -0.315 0.000 1.035 55 A HN 0.394 8.468 8.150 -0.126 0.000 0.491 56 A N 4.451 127.076 122.820 -0.325 0.000 1.940 56 A HA -0.349 3.743 4.320 -0.380 0.000 0.219 56 A C 1.037 178.403 177.584 -0.364 0.000 1.176 56 A CA 3.189 54.911 52.037 -0.524 0.000 0.631 56 A CB -0.263 17.992 19.000 -1.241 0.000 0.814 56 A HN 0.450 8.418 8.150 -0.287 0.010 0.446 57 H N -5.483 113.471 119.070 -0.192 0.000 2.521 57 H HA -0.107 4.517 4.556 0.114 0.000 0.286 57 H C -0.681 174.708 175.328 0.100 0.000 1.034 57 H CA 0.981 57.054 56.048 0.043 0.000 1.278 57 H CB -1.193 28.634 29.762 0.108 0.000 1.386 57 H HN -0.276 8.176 8.280 -0.151 -0.263 0.567 58 c N 2.056 120.491 118.600 -0.276 0.000 2.663 58 c HA -0.100 4.541 4.570 0.118 0.000 0.379 58 c C 0.218 174.498 174.090 0.318 0.000 1.255 58 c CA -0.263 56.089 56.329 0.037 0.000 1.503 58 c CB -3.298 39.156 42.510 -0.094 0.000 2.187 58 c HN -0.606 7.204 8.230 -0.465 0.141 0.580 59 A N 7.383 130.231 122.820 0.047 0.000 2.415 59 A HA -0.357 3.989 4.320 0.044 0.000 0.290 59 A C 0.624 178.276 177.584 0.114 0.000 0.912 59 A CA 1.201 53.258 52.037 0.032 0.000 1.181 59 A CB 0.233 19.208 19.000 -0.043 0.000 0.728 59 A HN 0.380 8.527 8.150 -0.006 0.000 0.348 60 Q N 3.892 123.780 119.800 0.147 0.000 2.230 60 Q HA -0.262 4.357 4.340 0.465 0.000 0.202 60 Q C 1.766 177.883 176.000 0.194 0.000 0.963 60 Q CA 2.388 58.338 55.803 0.244 0.000 0.866 60 Q CB -0.137 28.666 28.738 0.109 0.000 0.931 60 Q HN 0.785 9.112 8.270 0.095 0.000 0.452 61 S N -1.145 114.590 115.700 0.058 0.000 2.474 61 S HA -0.154 4.331 4.470 0.026 0.000 0.235 61 S C 1.127 175.689 174.600 -0.064 0.000 0.997 61 S CA 1.697 59.899 58.200 0.004 0.000 0.949 61 S CB -0.705 62.483 63.200 -0.020 0.000 0.766 61 S HN -0.077 8.225 8.310 0.039 0.032 0.517 62 G N -0.441 108.247 108.800 -0.188 0.000 2.598 62 G HA2 -0.083 3.702 3.960 -0.292 0.000 0.215 62 G HA3 -0.083 3.533 3.960 -0.573 0.000 0.215 62 G C -1.533 173.080 174.900 -0.478 0.000 1.131 62 G CA 0.325 45.184 45.100 -0.402 0.000 0.785 62 G HN -0.575 7.568 8.290 -0.167 0.047 0.539 63 F N -0.122 119.763 119.950 -0.109 0.000 2.399 63 F HA 0.755 5.435 4.527 -0.112 -0.220 0.334 63 F C -1.214 174.552 175.800 -0.057 0.000 1.097 63 F CA -0.562 57.384 58.000 -0.090 0.000 1.076 63 F CB 2.104 41.066 39.000 -0.064 0.000 1.162 63 F HN -0.838 7.398 8.300 0.001 0.064 0.495 64 Q N 0.520 120.402 119.800 0.137 0.000 3.093 64 Q HA 0.785 5.304 4.340 0.072 -0.136 0.330 64 Q C -1.836 174.205 176.000 0.069 0.000 0.947 64 Q CA -1.733 54.112 55.803 0.071 0.000 0.801 64 Q CB 4.882 33.628 28.738 0.014 0.000 1.470 64 Q HN 0.126 8.482 8.270 0.143 0.000 0.498 65 R N -1.923 118.564 120.500 -0.021 0.000 3.070 65 R HA 0.241 4.758 4.340 -0.006 -0.180 0.249 65 R C -2.915 173.389 176.300 0.007 0.000 1.124 65 R CA 0.651 56.734 56.100 -0.028 0.000 1.111 65 R CB 3.080 33.327 30.300 -0.087 0.000 1.268 65 R HN 0.449 8.698 8.270 -0.034 0.000 0.466 70 S N -0.981 114.786 115.700 0.112 0.000 2.549 70 S HA 0.229 4.759 4.470 0.100 0.000 0.280 70 S C 0.034 174.768 174.600 0.224 0.000 1.109 70 S CA -0.891 57.384 58.200 0.126 0.000 0.905 70 S CB 1.454 64.706 63.200 0.087 0.000 1.081 70 S HN -0.525 7.866 8.310 0.135 0.000 0.477 71 L N 3.222 124.566 121.223 0.201 0.000 2.313 71 L HA 0.054 4.570 4.340 0.294 0.000 0.214 71 L C 0.014 177.146 176.870 0.436 0.000 1.119 71 L CA 0.613 55.614 54.840 0.269 0.000 0.809 71 L CB 0.197 42.342 42.059 0.143 0.000 0.933 71 L HN 0.418 8.735 8.230 0.145 0.000 0.449 72 S N -2.939 112.932 115.700 0.284 0.000 2.554 72 S HA 0.254 5.127 4.470 0.315 -0.214 0.278 72 S C 0.440 175.054 174.600 0.022 0.000 1.242 72 S CA -1.202 57.127 58.200 0.216 0.000 1.051 72 S CB 1.371 64.630 63.200 0.099 0.000 0.986 72 S HN -0.706 7.685 8.310 0.202 0.039 0.502 73 R N 3.987 124.346 120.500 -0.235 0.000 2.275 73 R HA 0.079 3.977 4.340 -0.738 0.000 0.199 73 R C 1.527 177.661 176.300 -0.276 0.000 0.989 73 R CA 1.419 57.157 56.100 -0.603 0.000 1.016 73 R CB 0.424 30.118 30.300 -1.010 0.000 0.918 73 R HN 0.097 8.307 8.270 -0.099 0.000 0.473 74 T N -5.518 108.959 114.554 -0.129 0.000 2.990 74 T HA 0.144 4.439 4.350 -0.092 0.000 0.250 74 T C -0.344 174.329 174.700 -0.046 0.000 1.041 74 T CA 0.142 62.196 62.100 -0.076 0.000 1.010 74 T CB 1.139 69.984 68.868 -0.038 0.000 1.003 74 T HN -0.228 7.905 8.240 -0.088 0.054 0.499 75 S N 0.746 116.429 115.700 -0.029 0.000 2.556 75 S HA 0.175 4.637 4.470 -0.014 0.000 0.271 75 S C -1.575 173.026 174.600 0.003 0.000 1.135 75 S CA -0.005 58.189 58.200 -0.009 0.000 0.858 75 S CB 2.829 66.031 63.200 0.004 0.000 1.114 75 S HN -0.867 7.425 8.310 -0.031 0.000 0.468 81 I N 2.457 123.044 120.570 0.027 0.000 2.498 81 I HA 0.303 4.486 4.170 0.022 0.000 0.290 81 I C -0.965 175.166 176.117 0.024 0.000 1.032 81 I CA -0.512 60.804 61.300 0.027 0.000 1.073 81 I CB 2.762 40.785 38.000 0.038 0.000 1.251 81 I HN 0.203 8.433 8.210 0.032 0.000 0.426 82 T N 3.190 117.754 114.554 0.017 0.000 2.940 82 T HA 0.393 4.962 4.350 0.014 -0.210 0.288 82 T C -1.046 173.666 174.700 0.020 0.000 1.033 82 T CA -1.905 60.203 62.100 0.013 0.000 1.033 82 T CB 1.658 70.527 68.868 0.002 0.000 1.079 82 T HN 0.183 8.433 8.240 0.016 0.000 0.496 83 S N 1.753 117.467 115.700 0.023 0.000 2.541 83 S HA 0.326 4.809 4.470 0.021 0.000 0.271 83 S C -1.761 172.856 174.600 0.029 0.000 1.133 83 S CA -0.938 57.278 58.200 0.025 0.000 0.876 83 S CB 2.185 65.403 63.200 0.030 0.000 1.105 83 S HN -0.032 8.292 8.310 0.023 0.000 0.470 84 S N 3.445 119.161 115.700 0.026 0.000 2.661 84 S HA 0.278 4.776 4.470 0.047 0.000 0.265 84 S C -0.291 174.329 174.600 0.034 0.000 1.225 84 S CA 0.157 58.378 58.200 0.035 0.000 0.986 84 S CB 1.533 64.748 63.200 0.025 0.000 1.008 84 S HN 0.358 8.681 8.310 0.021 0.000 0.565 85 L N -1.312 119.937 121.223 0.042 0.000 2.325 85 L HA 0.313 4.775 4.340 0.012 -0.115 0.279 85 L C 0.296 177.176 176.870 0.016 0.000 1.054 85 L CA -0.416 54.438 54.840 0.023 0.000 0.804 85 L CB 1.105 43.177 42.059 0.021 0.000 1.200 85 L HN 0.444 8.708 8.230 0.058 0.000 0.436 86 S N 3.562 119.264 115.700 0.002 0.000 2.499 86 S HA 0.146 4.619 4.470 0.005 0.000 0.225 86 S C -0.191 174.405 174.600 -0.007 0.000 1.050 86 S CA 0.391 58.591 58.200 0.000 0.000 0.928 86 S CB 1.258 64.458 63.200 -0.002 0.000 0.803 86 S HN 0.608 8.917 8.310 -0.003 0.000 0.506 87 S N -1.647 114.042 115.700 -0.018 0.000 2.588 87 S HA 0.200 4.794 4.470 -0.022 -0.137 0.269 87 S C -2.448 172.122 174.600 -0.050 0.000 1.157 87 S CA -0.268 57.915 58.200 -0.029 0.000 0.824 87 S CB 2.227 65.409 63.200 -0.031 0.000 1.126 87 S HN -0.643 7.654 8.310 -0.022 0.000 0.464 88 V N 0.344 120.223 119.914 -0.057 0.000 2.686 88 V HA 0.423 4.631 4.120 -0.084 -0.138 0.306 88 V C -1.170 174.879 176.094 -0.075 0.000 1.065 88 V CA -0.754 61.501 62.300 -0.075 0.000 0.894 88 V CB 2.988 34.760 31.823 -0.084 0.000 1.004 88 V HN 0.157 8.318 8.190 -0.048 0.000 0.424 89 R N 8.029 128.484 120.500 -0.076 0.000 2.483 89 R HA 0.395 4.681 4.340 -0.089 0.000 0.303 89 R C -2.268 174.063 176.300 0.053 0.000 0.987 89 R CA -1.143 54.909 56.100 -0.079 0.000 0.881 89 R CB 3.113 33.261 30.300 -0.253 0.000 1.177 89 R HN 0.413 8.644 8.270 -0.066 0.000 0.451 90 V N 6.048 125.968 119.914 0.010 0.000 2.743 90 V HA 0.070 4.181 4.120 -0.015 0.000 0.301 90 V C -0.283 175.719 176.094 -0.153 0.000 1.057 90 V CA -0.858 61.421 62.300 -0.035 0.000 1.006 90 V CB 1.175 32.965 31.823 -0.055 0.000 1.024 90 V HN 0.387 8.565 8.190 -0.020 0.000 0.473 91 H N 6.112 124.842 119.070 -0.565 0.000 3.064 91 H HA -0.032 3.404 4.556 -1.867 0.000 0.329 91 H C 0.605 175.722 175.328 -0.352 0.000 1.020 91 H CA 0.606 56.065 56.048 -0.982 0.000 1.402 91 H CB 1.385 30.682 29.762 -0.776 0.000 1.379 91 H HN -0.191 7.908 8.280 -0.301 0.000 0.594 92 P HA 0.001 4.380 4.420 -0.069 0.000 0.225 92 P C -0.543 176.791 177.300 0.057 0.000 1.148 92 P CA 1.468 64.490 63.100 -0.130 0.000 0.779 92 P CB 0.277 31.893 31.700 -0.141 0.000 0.780 93 S N -2.249 113.629 115.700 0.296 0.000 2.601 93 S HA 0.108 4.646 4.470 0.114 0.000 0.244 93 S C -1.026 173.671 174.600 0.161 0.000 1.001 93 S CA -0.292 58.035 58.200 0.211 0.000 0.984 93 S CB 0.676 63.989 63.200 0.189 0.000 0.842 93 S HN -0.483 8.183 8.310 0.672 0.047 0.474 94 Y N 3.879 124.205 120.300 0.044 0.000 2.721 94 Y HA -0.198 4.515 4.550 -0.063 -0.201 0.329 94 Y C -0.300 175.581 175.900 -0.032 0.000 1.211 94 Y CA 0.498 58.581 58.100 -0.027 0.000 1.512 94 Y CB 0.343 38.790 38.460 -0.022 0.000 1.249 94 Y HN -0.697 7.706 8.280 0.309 0.062 0.549 95 S N 8.377 123.799 115.700 -0.463 0.000 2.584 95 S HA 0.136 4.261 4.470 -0.574 0.000 0.280 95 S C -1.378 172.958 174.600 -0.440 0.000 1.162 95 S CA -0.264 57.656 58.200 -0.467 0.000 0.951 95 S CB 2.606 65.675 63.200 -0.218 0.000 1.108 95 S HN -0.327 7.793 8.310 -0.316 0.000 0.464 100 N N 1.338 119.983 118.700 -0.092 0.000 2.518 100 N HA 0.081 4.830 4.740 0.015 0.000 0.283 100 N C -0.975 174.568 175.510 0.055 0.000 1.119 100 N CA 0.208 53.248 53.050 -0.017 0.000 0.983 100 N CB 1.301 39.752 38.487 -0.061 0.000 1.139 100 N HN -0.448 7.760 8.380 -0.164 0.073 0.465 101 N N -0.735 117.964 118.700 -0.000 0.000 2.738 101 N HA -0.378 4.246 4.740 -0.193 0.000 0.249 101 N C -1.468 174.044 175.510 0.004 0.000 1.047 101 N CA 1.402 54.374 53.050 -0.130 0.000 0.707 101 N CB -0.998 37.273 38.487 -0.360 0.000 0.937 101 N HN 0.768 9.147 8.380 -0.002 0.000 0.545 102 D N -0.372 120.068 120.400 0.068 0.000 2.713 102 D HA 0.038 4.652 4.640 -0.043 0.000 0.229 102 D C -1.774 174.488 176.300 -0.062 0.000 1.136 102 D CA -0.443 53.580 54.000 0.039 0.000 1.010 102 D CB -0.821 40.091 40.800 0.187 0.000 1.084 102 D HN 0.123 8.534 8.370 0.068 0.000 0.495 103 L N 0.367 121.521 121.223 -0.115 0.000 2.409 103 L HA 0.752 5.259 4.340 -0.011 -0.173 0.262 103 L C -2.465 174.404 176.870 -0.002 0.000 0.992 103 L CA -1.223 53.611 54.840 -0.010 0.000 0.817 103 L CB 4.876 47.019 42.059 0.140 0.000 1.350 103 L HN -0.459 7.614 8.230 -0.160 0.061 0.411 104 A N -0.055 122.812 122.820 0.079 0.000 2.539 104 A HA 0.846 5.432 4.320 0.228 -0.129 0.296 104 A C -2.335 175.328 177.584 0.131 0.000 1.073 104 A CA -1.490 50.616 52.037 0.114 0.000 0.700 104 A CB 4.248 23.212 19.000 -0.059 0.000 1.296 104 A HN 0.653 8.841 8.150 0.064 0.000 0.405 105 I N 0.711 121.346 120.570 0.108 0.000 2.339 105 I HA 0.603 4.922 4.170 -0.011 -0.156 0.290 105 I C -1.298 174.790 176.117 -0.049 0.000 0.994 105 I CA -2.179 59.111 61.300 -0.017 0.000 1.191 105 I CB 1.150 39.068 38.000 -0.138 0.000 1.343 105 I HN 0.243 8.555 8.210 0.170 0.000 0.458 106 L N 7.177 128.368 121.223 -0.052 0.000 2.317 106 L HA 0.540 4.985 4.340 -0.074 -0.150 0.281 106 L C -0.545 176.297 176.870 -0.047 0.000 1.024 106 L CA -1.521 53.281 54.840 -0.063 0.000 0.810 106 L CB 1.777 43.792 42.059 -0.073 0.000 1.240 106 L HN 0.835 9.040 8.230 -0.040 0.000 0.427 107 K N 2.298 122.672 120.400 -0.043 0.000 2.159 107 K HA 0.678 5.187 4.320 -0.030 -0.207 0.266 107 K C -0.575 176.014 176.600 -0.018 0.000 0.975 107 K CA -2.488 53.781 56.287 -0.030 0.000 0.865 107 K CB 1.729 34.212 32.500 -0.027 0.000 1.087 107 K HN 0.108 8.329 8.250 -0.048 0.000 0.446 108 L N 3.876 125.093 121.223 -0.009 0.000 2.334 108 L HA 0.260 4.737 4.340 0.006 -0.133 0.277 108 L C 0.046 176.920 176.870 0.006 0.000 1.075 108 L CA -0.381 54.461 54.840 0.004 0.000 0.804 108 L CB 0.547 42.614 42.059 0.013 0.000 1.174 108 L HN 0.122 8.344 8.230 -0.012 0.000 0.438 109 S N 1.470 117.177 115.700 0.010 0.000 2.406 109 S HA -0.076 4.398 4.470 0.007 0.000 0.228 109 S C 0.578 175.185 174.600 0.013 0.000 1.020 109 S CA 2.821 61.027 58.200 0.010 0.000 0.965 109 S CB 0.739 63.946 63.200 0.012 0.000 0.798 109 S HN 0.190 8.508 8.310 0.013 0.000 0.488 110 T N 4.454 119.018 114.554 0.018 0.000 2.786 110 T HA 0.121 4.483 4.350 0.020 0.000 0.283 110 T C -1.520 173.197 174.700 0.029 0.000 0.992 110 T CA -0.401 61.712 62.100 0.022 0.000 0.954 110 T CB 1.551 70.433 68.868 0.024 0.000 0.934 110 T HN -0.628 7.590 8.240 0.019 0.033 0.440 111 S N 5.726 121.445 115.700 0.031 0.000 2.576 111 S HA 0.038 4.691 4.470 0.038 -0.160 0.276 111 S C -0.366 174.273 174.600 0.066 0.000 1.339 111 S CA 0.863 59.088 58.200 0.042 0.000 1.039 111 S CB 0.858 64.080 63.200 0.036 0.000 0.902 111 S HN 0.260 8.587 8.310 0.027 0.000 0.516 112 I N 4.396 125.027 120.570 0.102 0.000 2.382 112 I HA 0.385 4.615 4.170 0.099 0.000 0.285 112 I C -1.939 174.295 176.117 0.195 0.000 1.007 112 I CA -3.169 58.210 61.300 0.132 0.000 1.142 112 I CB 1.702 39.791 38.000 0.148 0.000 1.289 112 I HN 0.280 8.441 8.210 0.105 0.112 0.453 113 P HA 0.299 4.835 4.420 0.194 0.000 0.278 113 P C -0.990 176.328 177.300 0.030 0.000 1.238 113 P CA -0.884 62.290 63.100 0.124 0.000 0.794 113 P CB 0.440 32.180 31.700 0.068 0.000 0.955 114 S N 2.211 117.855 115.700 -0.093 0.000 2.592 114 S HA -0.096 4.181 4.470 -0.323 0.000 0.271 114 S C -0.225 174.298 174.600 -0.130 0.000 1.326 114 S CA 0.302 58.321 58.200 -0.302 0.000 1.024 114 S CB 0.617 63.444 63.200 -0.621 0.000 0.921 114 S HN -0.043 8.265 8.310 -0.003 0.000 0.527 115 G N 3.972 112.702 108.800 -0.116 0.000 2.316 115 G HA2 -0.156 3.767 3.960 -0.060 0.000 0.468 115 G HA3 -0.156 3.777 3.960 -0.044 0.000 0.468 115 G C -1.282 173.592 174.900 -0.043 0.000 1.523 115 G CA -0.747 44.317 45.100 -0.061 0.000 0.972 115 G HN 0.156 8.357 8.290 -0.147 0.000 0.667 116 G N 1.681 110.463 108.800 -0.030 0.000 2.556 116 G HA2 -0.363 3.588 3.960 -0.016 0.000 0.283 116 G HA3 -0.363 3.589 3.960 -0.013 0.000 0.283 116 G C -0.775 174.112 174.900 -0.022 0.000 1.177 116 G CA 0.312 45.400 45.100 -0.019 0.000 0.978 116 G HN 0.183 8.455 8.290 -0.029 0.000 0.554 117 N N 3.150 121.842 118.700 -0.012 0.000 2.314 117 N HA 0.109 4.839 4.740 -0.018 0.000 0.200 117 N C -1.232 174.273 175.510 -0.008 0.000 1.135 117 N CA 0.068 53.112 53.050 -0.010 0.000 0.835 117 N CB 0.194 38.682 38.487 0.003 0.000 0.989 117 N HN 0.175 8.552 8.380 -0.006 0.000 0.478 118 I N -0.841 119.716 120.570 -0.021 0.000 2.377 118 I HA 0.344 4.718 4.170 0.006 -0.201 0.293 118 I C -1.125 174.931 176.117 -0.102 0.000 0.987 118 I CA -0.947 60.337 61.300 -0.027 0.000 1.185 118 I CB 2.133 40.126 38.000 -0.013 0.000 1.341 118 I HN -0.697 7.418 8.210 -0.028 0.079 0.455 119 G N 4.514 113.266 108.800 -0.081 0.000 2.682 119 G HA2 0.376 4.057 3.960 -0.465 0.000 0.290 119 G HA3 0.376 4.280 3.960 -0.093 0.000 0.290 119 G C -2.639 172.251 174.900 -0.016 0.000 1.425 119 G CA -0.639 44.341 45.100 -0.199 0.000 0.807 119 G HN -0.348 7.842 8.290 0.011 0.107 0.482 120 Y N -1.683 118.710 120.300 0.154 0.000 2.387 120 Y HA 0.424 5.219 4.550 0.167 -0.145 0.330 120 Y C 0.231 176.180 175.900 0.081 0.000 1.133 120 Y CA -2.689 55.489 58.100 0.129 0.000 1.152 120 Y CB 1.280 39.777 38.460 0.060 0.000 1.215 120 Y HN 0.093 8.295 8.280 -0.130 0.000 0.466 121 A N 2.950 125.827 122.820 0.095 0.000 2.462 121 A HA 0.015 4.006 4.320 -0.549 0.000 0.243 121 A C -0.959 176.531 177.584 -0.158 0.000 1.076 121 A CA -0.079 51.748 52.037 -0.351 0.000 0.773 121 A CB 0.862 19.467 19.000 -0.658 0.000 1.010 121 A HN 0.104 8.348 8.150 0.156 0.000 0.493 122 R N 3.323 123.723 120.500 -0.168 0.000 2.254 122 R HA 0.140 4.448 4.340 -0.053 0.000 0.318 122 R C -1.260 174.970 176.300 -0.115 0.000 1.031 122 R CA -0.733 55.315 56.100 -0.087 0.000 0.905 122 R CB 0.979 31.257 30.300 -0.038 0.000 1.050 122 R HN 0.381 8.526 8.270 -0.208 0.000 0.456 123 L N 5.021 126.199 121.223 -0.074 0.000 2.334 123 L HA 0.373 4.668 4.340 -0.076 0.000 0.275 123 L C 0.243 177.092 176.870 -0.035 0.000 1.036 123 L CA -1.435 53.370 54.840 -0.058 0.000 0.807 123 L CB 1.919 43.956 42.059 -0.038 0.000 1.231 123 L HN 0.355 8.552 8.230 -0.055 0.000 0.438 124 A N 0.851 123.656 122.820 -0.027 0.000 2.561 124 A HA -0.168 4.134 4.320 -0.030 0.000 0.234 124 A C -0.533 177.044 177.584 -0.012 0.000 1.055 124 A CA 0.207 52.230 52.037 -0.023 0.000 0.756 124 A CB 0.551 19.535 19.000 -0.026 0.000 0.986 124 A HN 0.075 8.210 8.150 -0.026 0.000 0.505 125 A N 2.063 124.874 122.820 -0.016 0.000 2.483 125 A HA -0.078 4.238 4.320 -0.006 0.000 0.238 125 A C 0.675 178.260 177.584 0.002 0.000 1.070 125 A CA -0.258 51.775 52.037 -0.008 0.000 0.770 125 A CB 0.504 19.497 19.000 -0.011 0.000 1.008 125 A HN 0.319 8.456 8.150 -0.022 0.000 0.497 126 S N 1.919 117.624 115.700 0.009 0.000 2.563 126 S HA -0.483 4.005 4.470 0.030 0.000 0.294 126 S C 1.755 176.365 174.600 0.017 0.000 1.279 126 S CA 2.077 60.289 58.200 0.020 0.000 1.069 126 S CB -0.277 62.935 63.200 0.021 0.000 0.828 126 S HN -0.017 8.297 8.310 0.006 0.000 0.497 127 G N 7.762 116.577 108.800 0.025 0.000 2.176 127 G HA2 -0.380 3.597 3.960 0.028 0.000 0.253 127 G HA3 -0.380 3.590 3.960 0.017 0.000 0.253 127 G C -0.431 174.473 174.900 0.008 0.000 0.979 127 G CA -0.147 44.965 45.100 0.020 0.000 0.641 127 G HN 0.175 8.485 8.290 0.034 0.000 0.530 128 S N 0.760 116.458 115.700 -0.003 0.000 2.617 128 S HA 0.080 4.536 4.470 -0.024 0.000 0.269 128 S C -1.322 173.255 174.600 -0.039 0.000 1.292 128 S CA 0.162 58.346 58.200 -0.025 0.000 1.010 128 S CB 1.817 64.994 63.200 -0.039 0.000 0.944 128 S HN -0.440 7.805 8.310 0.001 0.066 0.536 129 D N 0.497 120.857 120.400 -0.066 0.000 2.936 129 D HA 0.402 4.976 4.640 -0.110 0.000 0.238 129 D C -2.127 174.075 176.300 -0.163 0.000 1.248 129 D CA -2.694 51.249 54.000 -0.096 0.000 0.903 129 D CB 2.299 43.077 40.800 -0.037 0.000 1.544 129 D HN 0.108 8.440 8.370 -0.064 0.000 0.543 130 P HA 0.068 4.331 4.420 -0.262 0.000 0.268 130 P C -1.495 175.697 177.300 -0.181 0.000 1.205 130 P CA -0.396 62.508 63.100 -0.327 0.000 0.771 130 P CB 0.740 32.047 31.700 -0.655 0.000 0.858 131 V N 3.225 123.065 119.914 -0.123 0.000 2.498 131 V HA -0.017 4.070 4.120 -0.056 0.000 0.279 131 V C 0.143 176.208 176.094 -0.049 0.000 1.048 131 V CA -0.543 61.717 62.300 -0.067 0.000 0.967 131 V CB 0.847 32.638 31.823 -0.052 0.000 0.988 131 V HN 0.298 8.410 8.190 -0.131 0.000 0.473 132 A N 6.519 129.326 122.820 -0.022 0.000 2.540 132 A HA -0.284 4.154 4.320 0.003 -0.116 0.239 132 A C 0.753 178.331 177.584 -0.009 0.000 1.061 132 A CA 1.221 53.255 52.037 -0.004 0.000 0.758 132 A CB -0.199 18.805 19.000 0.007 0.000 0.991 132 A HN 0.286 8.424 8.150 -0.019 0.000 0.502 133 G N 2.781 111.579 108.800 -0.003 0.000 2.217 133 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.246 133 G HA3 -0.361 3.596 3.960 -0.006 0.000 0.246 133 G C 0.048 174.942 174.900 -0.011 0.000 0.990 133 G CA -0.155 44.942 45.100 -0.005 0.000 0.627 133 G HN 0.378 8.560 8.290 0.003 0.110 0.522 134 S N 1.021 116.708 115.700 -0.022 0.000 2.593 134 S HA 0.042 4.498 4.470 -0.023 0.000 0.269 134 S C -0.714 173.872 174.600 -0.023 0.000 1.334 134 S CA 0.111 58.294 58.200 -0.028 0.000 1.015 134 S CB 1.919 65.092 63.200 -0.045 0.000 0.912 134 S HN -0.475 7.735 8.310 -0.026 0.085 0.541 135 S N 0.533 116.220 115.700 -0.020 0.000 2.499 135 S HA 0.142 4.607 4.470 -0.008 0.000 0.279 135 S C -1.159 173.432 174.600 -0.014 0.000 1.219 135 S CA -0.424 57.769 58.200 -0.012 0.000 1.062 135 S CB 0.786 63.982 63.200 -0.007 0.000 0.978 135 S HN 0.086 8.383 8.310 -0.021 0.000 0.489 136 A N 5.202 128.016 122.820 -0.010 0.000 2.435 136 A HA 0.763 5.231 4.320 -0.002 -0.149 0.304 136 A C -2.008 175.583 177.584 0.010 0.000 1.064 136 A CA -1.586 50.446 52.037 -0.009 0.000 0.727 136 A CB 3.813 22.791 19.000 -0.036 0.000 1.284 136 A HN 0.507 8.654 8.150 -0.006 0.000 0.415 137 T N 4.043 118.624 114.554 0.046 0.000 2.824 137 T HA 0.769 5.338 4.350 0.057 -0.185 0.282 137 T C -0.840 173.905 174.700 0.075 0.000 0.993 137 T CA -0.723 61.429 62.100 0.086 0.000 0.967 137 T CB 1.936 70.903 68.868 0.165 0.000 0.960 137 T HN 0.319 8.595 8.240 0.059 0.000 0.441 138 V N 5.796 125.719 119.914 0.016 0.000 2.715 138 V HA 0.823 5.091 4.120 -0.051 -0.179 0.310 138 V C -2.282 173.728 176.094 -0.139 0.000 1.054 138 V CA -2.578 59.698 62.300 -0.041 0.000 0.928 138 V CB 2.978 34.814 31.823 0.021 0.000 1.007 138 V HN 0.511 8.715 8.190 0.023 0.000 0.437 139 A N 2.553 125.196 122.820 -0.295 0.000 2.475 139 A HA 1.042 5.310 4.320 -0.349 -0.157 0.301 139 A C -1.980 175.372 177.584 -0.388 0.000 1.059 139 A CA -1.747 50.009 52.037 -0.470 0.000 0.710 139 A CB 3.974 22.342 19.000 -1.053 0.000 1.288 139 A HN -0.141 7.856 8.150 -0.255 0.000 0.408 140 G N -0.663 107.883 108.800 -0.423 0.000 2.342 140 G HA2 0.258 3.964 3.960 -0.423 0.000 0.297 140 G HA3 0.258 4.286 3.960 -0.131 -0.146 0.297 140 G C -1.989 172.694 174.900 -0.361 0.000 1.313 140 G CA 0.500 45.397 45.100 -0.338 0.000 0.830 140 G HN -0.020 8.008 8.290 -0.436 0.000 0.506 141 W N 0.212 121.497 121.300 -0.025 0.000 2.926 141 W HA 0.372 5.029 4.660 -0.004 0.000 0.419 141 W C -1.175 175.343 176.519 -0.002 0.000 0.993 141 W CA -0.787 56.554 57.345 -0.005 0.000 2.025 141 W CB 0.618 30.082 29.460 0.008 0.000 1.152 141 W HN 0.493 8.883 8.180 0.350 0.000 0.659 142 G N -1.984 106.906 108.800 0.150 0.000 2.563 142 G HA2 0.128 4.150 3.960 0.104 0.000 0.283 142 G HA3 0.128 4.250 3.960 0.060 -0.127 0.283 142 G C -1.148 173.791 174.900 0.064 0.000 1.309 142 G CA -1.055 44.100 45.100 0.091 0.000 1.022 142 G HN -0.501 8.085 8.290 0.102 -0.235 0.501 143 A N 0.407 123.252 122.820 0.043 0.000 2.520 143 A HA -0.034 4.311 4.320 0.042 0.000 0.235 143 A C 0.371 177.970 177.584 0.025 0.000 1.065 143 A CA 0.682 52.740 52.037 0.034 0.000 0.764 143 A CB 0.889 19.902 19.000 0.023 0.000 1.002 143 A HN -0.044 8.127 8.150 0.035 0.000 0.502 144 T N -3.844 110.725 114.554 0.024 0.000 3.069 144 T HA 0.133 4.713 4.350 0.014 -0.221 0.252 144 T C -0.628 174.081 174.700 0.015 0.000 1.053 144 T CA -0.562 61.549 62.100 0.017 0.000 0.964 144 T CB 0.992 69.871 68.868 0.018 0.000 1.005 144 T HN 0.368 8.625 8.240 0.028 0.000 0.532 145 S N 0.006 115.715 115.700 0.015 0.000 2.550 145 S HA 0.206 4.684 4.470 0.012 0.000 0.270 145 S C -1.671 172.935 174.600 0.011 0.000 1.145 145 S CA -1.084 57.123 58.200 0.013 0.000 0.852 145 S CB 2.256 65.463 63.200 0.013 0.000 1.119 145 S HN -0.707 7.554 8.310 0.017 0.059 0.465 146 E N 4.780 124.985 120.200 0.008 0.000 2.480 146 E HA -0.273 4.078 4.350 0.003 0.000 0.258 146 E C 1.010 177.612 176.600 0.005 0.000 0.984 146 E CA 1.215 57.618 56.400 0.004 0.000 0.930 146 E CB 0.101 29.802 29.700 0.002 0.000 0.936 146 E HN 0.484 8.849 8.360 0.009 0.000 0.466 147 G N 5.512 114.314 108.800 0.004 0.000 2.159 147 G HA2 -0.346 3.618 3.960 0.005 0.000 0.256 147 G HA3 -0.346 3.617 3.960 0.005 0.000 0.256 147 G C 0.139 175.046 174.900 0.011 0.000 0.977 147 G CA -0.172 44.931 45.100 0.006 0.000 0.652 147 G HN 0.533 8.825 8.290 0.003 0.000 0.531 148 G N -0.170 108.639 108.800 0.014 0.000 2.441 148 G HA2 0.066 4.037 3.960 0.018 0.000 0.243 148 G HA3 0.066 4.038 3.960 0.020 0.000 0.243 148 G C -0.434 174.481 174.900 0.024 0.000 1.281 148 G CA -0.354 44.758 45.100 0.019 0.000 0.854 148 G HN -0.598 7.639 8.290 0.012 0.061 0.560 149 S N 2.310 118.026 115.700 0.026 0.000 2.492 149 S HA -0.061 4.429 4.470 0.032 0.000 0.218 149 S C 0.093 174.714 174.600 0.036 0.000 1.016 149 S CA 0.475 58.693 58.200 0.030 0.000 0.916 149 S CB 0.552 63.768 63.200 0.026 0.000 0.791 149 S HN 0.179 8.503 8.310 0.024 0.000 0.513 150 S N 2.363 118.084 115.700 0.035 0.000 2.489 150 S HA 0.216 4.710 4.470 0.042 0.000 0.291 150 S C -1.127 173.504 174.600 0.051 0.000 1.151 150 S CA -0.060 58.165 58.200 0.041 0.000 1.082 150 S CB 1.217 64.438 63.200 0.036 0.000 1.019 150 S HN -0.318 8.011 8.310 0.032 0.000 0.492 151 T N 7.067 121.659 114.554 0.063 0.000 2.856 151 T HA 0.378 4.776 4.350 0.080 0.000 0.283 151 T C -1.872 172.888 174.700 0.101 0.000 1.008 151 T CA -2.611 59.541 62.100 0.087 0.000 0.997 151 T CB 1.340 70.265 68.868 0.095 0.000 0.992 151 T HN 0.118 8.394 8.240 0.060 0.000 0.454 152 P HA 0.060 4.540 4.420 0.100 0.000 0.272 152 P C -0.017 177.406 177.300 0.206 0.000 1.223 152 P CA -0.351 62.829 63.100 0.132 0.000 0.784 152 P CB 0.789 32.554 31.700 0.109 0.000 0.923 153 V N 0.697 120.713 119.914 0.169 0.000 2.488 153 V HA -0.283 3.936 4.120 0.165 0.000 0.246 153 V C -0.372 175.921 176.094 0.332 0.000 1.046 153 V CA 2.234 64.647 62.300 0.189 0.000 1.053 153 V CB -0.141 31.748 31.823 0.109 0.000 0.679 153 V HN 0.313 8.579 8.190 0.127 0.000 0.458 154 N N -3.167 115.692 118.700 0.266 0.000 2.466 154 N HA 0.244 5.437 4.740 0.390 -0.219 0.294 154 N C -0.090 175.444 175.510 0.039 0.000 1.129 154 N CA -1.228 51.969 53.050 0.245 0.000 0.931 154 N CB 1.291 39.850 38.487 0.119 0.000 1.193 154 N HN -0.671 7.821 8.380 0.187 0.000 0.500 155 L N 2.456 123.567 121.223 -0.186 0.000 2.499 155 L HA -0.134 3.434 4.340 -1.288 0.000 0.273 155 L C -1.279 175.375 176.870 -0.360 0.000 1.195 155 L CA 0.817 55.226 54.840 -0.718 0.000 0.882 155 L CB 0.638 42.266 42.059 -0.717 0.000 1.133 155 L HN -0.170 8.074 8.230 0.024 0.000 0.483 156 L N 5.497 126.502 121.223 -0.363 0.000 2.322 156 L HA 0.688 5.095 4.340 -0.127 -0.143 0.269 156 L C -1.321 175.438 176.870 -0.185 0.000 1.012 156 L CA -1.450 53.278 54.840 -0.187 0.000 0.815 156 L CB 2.576 44.562 42.059 -0.121 0.000 1.295 156 L HN -0.024 7.915 8.230 -0.485 0.000 0.438 157 K N -1.844 118.509 120.400 -0.079 0.000 2.482 157 K HA 1.047 5.498 4.320 -0.093 -0.187 0.257 157 K C -2.300 174.299 176.600 -0.002 0.000 0.969 157 K CA -1.763 54.503 56.287 -0.034 0.000 0.842 157 K CB 4.503 37.067 32.500 0.107 0.000 1.359 157 K HN 0.626 8.845 8.250 -0.051 0.000 0.441 158 V N 0.320 120.241 119.914 0.012 0.000 3.012 158 V HA 0.357 4.489 4.120 0.020 0.000 0.307 158 V C -2.550 173.563 176.094 0.031 0.000 1.166 158 V CA -1.891 60.420 62.300 0.020 0.000 0.974 158 V CB 4.080 35.910 31.823 0.013 0.000 1.040 158 V HN 0.419 8.614 8.190 0.008 0.000 0.428 159 T N 8.624 123.194 114.554 0.028 0.000 2.771 159 T HA 0.790 5.359 4.350 0.028 -0.203 0.281 159 T C -0.824 173.887 174.700 0.019 0.000 0.982 159 T CA -0.282 61.833 62.100 0.025 0.000 0.978 159 T CB 0.892 69.773 68.868 0.022 0.000 0.930 159 T HN 0.191 8.445 8.240 0.024 0.000 0.447 160 V N 0.739 120.663 119.914 0.016 0.000 3.007 160 V HA 0.686 4.818 4.120 0.020 0.000 0.311 160 V C -3.085 173.017 176.094 0.013 0.000 1.120 160 V CA -4.556 57.756 62.300 0.019 0.000 0.980 160 V CB 2.768 34.611 31.823 0.033 0.000 1.033 160 V HN 0.600 8.797 8.190 0.011 0.000 0.429 161 P HA 0.412 5.023 4.420 0.006 -0.187 0.277 161 P C -0.634 176.685 177.300 0.030 0.000 1.240 161 P CA -1.539 61.569 63.100 0.015 0.000 0.798 161 P CB 0.774 32.482 31.700 0.013 0.000 0.979 162 I N 0.881 121.466 120.570 0.026 0.000 2.618 162 I HA -0.097 4.280 4.170 0.105 -0.143 0.284 162 I C 0.539 176.691 176.117 0.057 0.000 1.146 162 I CA -0.617 60.717 61.300 0.058 0.000 1.425 162 I CB -1.188 36.816 38.000 0.008 0.000 1.383 162 I HN -0.022 8.192 8.210 0.007 0.000 0.562 163 V N 8.245 128.212 119.914 0.089 0.000 2.439 163 V HA 0.158 4.307 4.120 0.047 0.000 0.282 163 V C -1.039 175.101 176.094 0.077 0.000 1.039 163 V CA -1.188 61.154 62.300 0.069 0.000 0.913 163 V CB 1.076 32.942 31.823 0.071 0.000 0.983 163 V HN -0.160 7.999 8.190 0.126 0.106 0.460 164 S N 5.663 121.394 115.700 0.051 0.000 2.563 164 S HA -0.059 4.442 4.470 0.052 0.000 0.284 164 S C 0.942 175.583 174.600 0.068 0.000 1.331 164 S CA -0.316 57.914 58.200 0.051 0.000 1.047 164 S CB 1.479 64.698 63.200 0.032 0.000 0.859 164 S HN 0.230 8.563 8.310 0.038 0.000 0.514 165 R N 4.364 124.909 120.500 0.075 0.000 2.105 165 R HA -0.429 3.970 4.340 0.098 0.000 0.239 165 R C 1.476 177.818 176.300 0.070 0.000 1.135 165 R CA 4.278 60.428 56.100 0.084 0.000 0.967 165 R CB -0.219 30.132 30.300 0.085 0.000 0.861 165 R HN 0.687 8.999 8.270 0.070 0.000 0.442 166 A N -2.894 119.957 122.820 0.052 0.000 1.902 166 A HA -0.168 4.180 4.320 0.047 0.000 0.217 166 A C 2.179 179.785 177.584 0.038 0.000 1.181 166 A CA 2.994 55.056 52.037 0.042 0.000 0.623 166 A CB -0.888 18.130 19.000 0.030 0.000 0.818 166 A HN 0.165 8.330 8.150 0.047 0.013 0.443 167 T N 0.801 115.374 114.554 0.031 0.000 2.821 167 T HA -0.403 3.948 4.350 0.003 0.000 0.267 167 T C 1.527 176.243 174.700 0.026 0.000 1.046 167 T CA 4.833 66.942 62.100 0.015 0.000 1.139 167 T CB -0.031 68.841 68.868 0.007 0.000 0.871 167 T HN -0.643 7.617 8.240 0.033 0.000 0.454 168 c N 2.184 120.824 118.600 0.067 0.000 2.429 168 c HA -0.299 4.348 4.570 0.127 0.000 0.277 168 c C 1.926 176.119 174.090 0.172 0.000 1.262 168 c CA 2.612 59.019 56.329 0.129 0.000 1.733 168 c CB -1.718 40.869 42.510 0.129 0.000 2.010 168 c HN -0.109 8.161 8.230 0.067 0.000 0.483 169 R N -0.648 119.927 120.500 0.125 0.000 2.148 169 R HA -0.266 4.304 4.340 0.177 -0.124 0.227 169 R C 2.200 178.554 176.300 0.090 0.000 1.103 169 R CA 2.756 58.933 56.100 0.128 0.000 0.983 169 R CB -0.137 30.219 30.300 0.093 0.000 0.874 169 R HN 0.052 8.382 8.270 0.101 0.000 0.451 170 A N -2.771 120.073 122.820 0.041 0.000 2.015 170 A HA -0.227 4.100 4.320 0.011 0.000 0.219 170 A C 1.803 179.358 177.584 -0.048 0.000 1.163 170 A CA 2.342 54.378 52.037 -0.001 0.000 0.646 170 A CB -0.612 18.374 19.000 -0.023 0.000 0.806 170 A HN -0.575 7.478 8.150 0.038 0.120 0.448 171 Q N -2.166 117.582 119.800 -0.087 0.000 2.062 171 Q HA -0.249 3.878 4.340 -0.354 0.000 0.196 171 Q C 1.463 177.329 176.000 -0.223 0.000 0.967 171 Q CA 2.798 58.426 55.803 -0.290 0.000 0.832 171 Q CB 0.752 29.211 28.738 -0.465 0.000 0.899 171 Q HN -0.638 7.488 8.270 -0.035 0.122 0.442 172 Y N -4.537 115.825 120.300 0.102 0.000 2.506 172 Y HA 0.040 4.738 4.550 0.247 0.000 0.287 172 Y C 2.607 178.596 175.900 0.148 0.000 1.147 172 Y CA 1.500 59.712 58.100 0.187 0.000 1.241 172 Y CB 0.497 39.098 38.460 0.235 0.000 1.279 172 Y HN -0.309 8.086 8.280 0.192 0.000 0.527 173 T N 1.411 116.023 114.554 0.096 0.000 2.746 173 T HA -0.238 4.161 4.350 0.083 0.000 0.267 173 T C 1.772 176.520 174.700 0.079 0.000 1.039 173 T CA 3.134 65.282 62.100 0.079 0.000 1.142 173 T CB -0.373 68.528 68.868 0.055 0.000 0.866 173 T HN 0.109 8.398 8.240 0.082 0.000 0.444 174 S N -0.361 115.381 115.700 0.071 0.000 2.496 174 S HA -0.051 4.447 4.470 0.047 0.000 0.224 174 S C -0.332 174.306 174.600 0.063 0.000 0.996 174 S CA 1.614 59.845 58.200 0.053 0.000 0.927 174 S CB -0.510 62.709 63.200 0.031 0.000 0.774 174 S HN 0.196 8.548 8.310 0.070 0.000 0.524 175 A N 0.976 123.859 122.820 0.105 0.000 2.014 175 A HA -0.109 4.245 4.320 0.057 0.000 0.218 175 A C -0.356 177.345 177.584 0.194 0.000 1.163 175 A CA 1.489 53.607 52.037 0.135 0.000 0.652 175 A CB 0.505 19.649 19.000 0.240 0.000 0.808 175 A HN -0.465 7.709 8.150 0.123 0.050 0.449 176 I N -1.311 119.364 120.570 0.175 0.000 2.328 176 I HA 0.284 4.570 4.170 0.194 0.000 0.287 176 I C -0.622 175.562 176.117 0.111 0.000 1.012 176 I CA -2.739 58.655 61.300 0.157 0.000 1.195 176 I CB -1.073 37.005 38.000 0.130 0.000 1.350 176 I HN -0.689 7.584 8.210 0.157 0.031 0.464 177 T N 4.883 119.499 114.554 0.104 0.000 2.897 177 T HA 0.347 4.736 4.350 0.066 0.000 0.278 177 T C 0.961 175.708 174.700 0.079 0.000 0.981 177 T CA -2.059 60.086 62.100 0.074 0.000 0.973 177 T CB 1.785 70.684 68.868 0.052 0.000 1.092 177 T HN -0.414 7.899 8.240 0.123 0.000 0.543 178 N N -2.193 116.546 118.700 0.065 0.000 2.571 178 N HA -0.140 4.648 4.740 0.080 0.000 0.189 178 N C -0.115 175.443 175.510 0.080 0.000 1.154 178 N CA 1.375 54.467 53.050 0.070 0.000 0.907 178 N CB -0.721 37.798 38.487 0.055 0.000 0.977 178 N HN 0.452 8.864 8.380 0.054 0.000 0.449 179 Q N -3.571 116.272 119.800 0.072 0.000 2.220 179 Q HA 0.202 4.594 4.340 0.087 0.000 0.205 179 Q C -1.277 174.787 176.000 0.107 0.000 0.865 179 Q CA -0.571 55.276 55.803 0.073 0.000 0.960 179 Q CB 0.211 28.954 28.738 0.008 0.000 1.097 179 Q HN -0.698 7.543 8.270 0.062 0.067 0.493 180 M N -0.932 118.743 119.600 0.126 0.000 2.602 180 M HA 0.862 5.580 4.480 0.067 -0.198 0.312 180 M C -1.619 174.793 176.300 0.187 0.000 1.181 180 M CA -0.852 54.510 55.300 0.103 0.000 0.910 180 M CB 4.789 37.438 32.600 0.082 0.000 1.723 180 M HN -0.665 7.623 8.290 0.121 0.075 0.459 181 F N -2.736 117.260 119.950 0.077 0.000 2.629 181 F HA 0.602 5.159 4.527 0.049 0.000 0.316 181 F C -2.996 172.864 175.800 0.100 0.000 1.081 181 F CA -1.797 56.243 58.000 0.067 0.000 0.954 181 F CB 2.480 41.510 39.000 0.050 0.000 1.337 181 F HN 0.273 8.443 8.300 -0.218 0.000 0.474 182 c N -1.441 117.312 118.600 0.255 0.000 2.614 182 c HA 1.038 5.835 4.570 0.074 -0.182 0.320 182 c C -1.121 173.122 174.090 0.255 0.000 1.200 182 c CA -1.684 54.738 56.329 0.156 0.000 1.700 182 c CB 3.456 46.022 42.510 0.092 0.000 2.275 182 c HN 0.624 9.079 8.230 0.375 0.000 0.492 183 A N 1.565 124.522 122.820 0.229 0.000 2.488 183 A HA 0.676 5.204 4.320 0.135 -0.127 0.295 183 A C -2.820 174.854 177.584 0.150 0.000 1.045 183 A CA -0.384 51.752 52.037 0.166 0.000 0.703 183 A CB 3.548 22.589 19.000 0.068 0.000 1.271 183 A HN 0.736 9.033 8.150 0.244 0.000 0.400 184 V N 0.599 120.533 119.914 0.033 0.000 2.483 184 V HA 0.503 4.632 4.120 0.016 0.000 0.295 184 V C 0.248 176.347 176.094 0.008 0.000 1.035 184 V CA -3.295 59.016 62.300 0.018 0.000 0.896 184 V CB 3.517 35.350 31.823 0.016 0.000 0.986 184 V HN 0.054 8.266 8.190 0.038 0.000 0.447 185 S N 9.082 124.779 115.700 -0.004 0.000 2.382 185 S HA -0.160 4.291 4.470 -0.032 0.000 0.228 185 S C 0.943 175.532 174.600 -0.018 0.000 1.027 185 S CA 3.121 61.309 58.200 -0.022 0.000 0.991 185 S CB -0.268 62.916 63.200 -0.028 0.000 0.823 185 S HN 0.501 8.810 8.310 -0.003 0.000 0.469 186 S N -0.489 115.208 115.700 -0.006 0.000 2.607 186 S HA -0.064 4.403 4.470 -0.005 0.000 0.224 186 S C 0.058 174.664 174.600 0.009 0.000 0.969 186 S CA -0.046 58.153 58.200 -0.001 0.000 0.927 186 S CB -0.137 63.063 63.200 0.000 0.000 0.772 186 S HN -0.402 7.888 8.310 -0.004 0.017 0.533 187 G N 1.259 110.068 108.800 0.015 0.000 3.153 187 G HA2 -0.391 3.588 3.960 0.032 0.000 0.686 187 G HA3 -0.391 3.666 3.960 0.029 -0.080 0.686 187 G C -1.160 173.754 174.900 0.023 0.000 0.995 187 G CA -0.276 44.839 45.100 0.026 0.000 0.783 187 G HN -0.682 7.433 8.290 0.012 0.182 0.551 188 K N 0.789 121.205 120.400 0.026 0.000 6.806 188 K HA -0.580 3.985 4.320 0.024 -0.231 0.764 188 K C -1.609 175.015 176.600 0.040 0.000 2.469 188 K CA 0.177 56.481 56.287 0.028 0.000 1.793 188 K CB 0.150 32.666 32.500 0.026 0.000 2.301 188 K HN 0.163 8.431 8.250 0.029 0.000 0.246 189 D N 1.055 121.479 120.400 0.040 0.000 2.755 189 D HA 0.278 4.966 4.640 0.080 0.000 0.277 189 D C -1.831 174.497 176.300 0.047 0.000 1.261 189 D CA -0.503 53.530 54.000 0.056 0.000 0.759 189 D CB 3.949 44.775 40.800 0.043 0.000 1.279 189 D HN -0.169 8.220 8.370 0.031 0.000 0.420 190 S N -1.066 114.671 115.700 0.061 0.000 2.632 190 S HA 0.176 4.756 4.470 0.025 -0.096 0.267 190 S C -1.273 173.324 174.600 -0.004 0.000 1.276 190 S CA 0.188 58.406 58.200 0.030 0.000 0.998 190 S CB 1.209 64.440 63.200 0.051 0.000 0.953 190 S HN 0.303 8.668 8.310 0.092 0.000 0.547 191 c N -0.588 118.007 118.600 -0.008 0.000 3.292 191 c HA 0.268 4.826 4.570 -0.019 0.000 0.369 191 c C -1.193 172.888 174.090 -0.014 0.000 1.664 191 c CA -0.648 55.675 56.329 -0.011 0.000 1.204 191 c CB 3.049 45.559 42.510 0.000 0.000 1.978 191 c HN 0.302 8.827 8.230 -0.004 -0.297 0.435 192 Q N 1.677 121.467 119.800 -0.016 0.000 2.286 192 Q HA -0.123 4.192 4.340 -0.042 0.000 0.290 192 Q C 1.512 177.496 176.000 -0.026 0.000 1.049 192 Q CA 1.876 57.660 55.803 -0.031 0.000 0.923 192 Q CB 0.121 28.840 28.738 -0.031 0.000 1.183 192 Q HN 0.740 9.002 8.270 -0.013 0.000 0.383 193 G N 5.529 114.292 108.800 -0.061 0.000 2.213 193 G HA2 -0.422 3.648 3.960 -0.094 0.000 0.236 193 G HA3 -0.422 3.544 3.960 0.011 0.000 0.236 193 G C 0.357 175.269 174.900 0.020 0.000 0.991 193 G CA 0.829 45.909 45.100 -0.035 0.000 0.629 193 G HN 0.701 8.933 8.290 -0.098 0.000 0.517 194 D N 1.427 121.834 120.400 0.012 0.000 2.348 194 D HA 0.030 4.708 4.640 0.063 0.000 0.211 194 D C 0.112 176.420 176.300 0.013 0.000 0.998 194 D CA 1.289 55.306 54.000 0.028 0.000 0.873 194 D CB 0.280 41.088 40.800 0.012 0.000 0.925 194 D HN -0.134 8.148 8.370 -0.003 0.087 0.524 195 S N -1.116 114.571 115.700 -0.022 0.000 2.558 195 S HA -0.288 4.300 4.470 -0.002 -0.120 0.291 195 S C 1.243 175.800 174.600 -0.071 0.000 1.306 195 S CA 2.532 60.709 58.200 -0.039 0.000 1.056 195 S CB -0.189 62.982 63.200 -0.049 0.000 0.836 195 S HN -0.202 8.039 8.310 -0.033 0.048 0.504 196 G N 4.655 113.423 108.800 -0.054 0.000 2.253 196 G HA2 -0.438 3.560 3.960 -0.036 0.000 0.251 196 G HA3 -0.438 3.595 3.960 -0.056 -0.106 0.251 196 G C -0.162 174.768 174.900 0.049 0.000 0.998 196 G CA 0.455 45.538 45.100 -0.029 0.000 0.621 196 G HN 0.550 8.821 8.290 -0.032 0.000 0.524 197 G N 0.953 109.792 108.800 0.066 0.000 2.616 197 G HA2 0.341 4.368 3.960 0.111 0.000 0.268 197 G HA3 0.341 4.338 3.960 0.062 0.000 0.268 197 G C -2.652 172.305 174.900 0.094 0.000 1.213 197 G CA -2.004 43.146 45.100 0.084 0.000 0.926 197 G HN -0.507 7.720 8.290 0.050 0.093 0.523 198 P HA 0.239 4.905 4.420 0.172 -0.143 0.282 198 P C -1.934 175.413 177.300 0.079 0.000 1.249 198 P CA -0.932 62.251 63.100 0.138 0.000 0.806 198 P CB 1.539 33.413 31.700 0.290 0.000 0.984 199 I N 2.166 122.807 120.570 0.117 0.000 2.465 199 I HA 0.841 5.242 4.170 0.036 -0.209 0.291 199 I C -1.609 174.581 176.117 0.122 0.000 1.014 199 I CA -2.515 58.818 61.300 0.054 0.000 1.093 199 I CB 3.218 41.133 38.000 -0.141 0.000 1.267 199 I HN -0.391 7.909 8.210 0.150 0.000 0.431 200 V N 5.595 125.593 119.914 0.141 0.000 4.781 200 V HA 1.006 5.353 4.120 0.121 -0.155 0.288 200 V C -0.020 176.118 176.094 0.073 0.000 1.442 200 V CA -3.351 59.039 62.300 0.150 0.000 0.846 200 V CB 1.989 33.981 31.823 0.282 0.000 1.330 200 V HN 0.720 8.991 8.190 0.135 0.000 0.450 201 S N -0.057 115.641 115.700 -0.003 0.000 2.548 201 S HA -0.022 4.451 4.470 0.005 0.000 0.215 201 S C 2.165 176.763 174.600 -0.003 0.000 0.976 201 S CA 2.339 60.538 58.200 -0.002 0.000 0.908 201 S CB -0.346 62.848 63.200 -0.010 0.000 0.781 201 S HN -0.131 8.170 8.310 -0.015 0.000 0.519 202 S N 0.882 116.582 115.700 0.000 0.000 2.556 202 S HA 0.040 4.507 4.470 -0.005 0.000 0.216 202 S C -0.229 174.381 174.600 0.017 0.000 0.970 202 S CA -0.631 57.570 58.200 0.001 0.000 0.912 202 S CB -0.886 62.312 63.200 -0.004 0.000 0.790 202 S HN 0.168 8.477 8.310 -0.001 0.000 0.504 203 N N -1.264 117.460 118.700 0.041 0.000 2.882 203 N HA -0.305 4.515 4.740 0.135 0.000 0.249 203 N C -0.613 174.965 175.510 0.114 0.000 1.079 203 N CA 1.108 54.218 53.050 0.099 0.000 0.800 203 N CB -1.156 37.375 38.487 0.073 0.000 1.124 203 N HN -0.050 8.232 8.380 0.037 0.121 0.557 210 I N -1.442 119.159 120.570 0.051 0.000 4.035 210 I HA 0.435 4.614 4.170 0.016 0.000 0.321 210 I C -1.117 175.136 176.117 0.227 0.000 1.289 210 I CA -0.526 60.802 61.300 0.047 0.000 1.236 210 I CB 1.567 39.509 38.000 -0.097 0.000 1.076 210 I HN 0.153 8.408 8.210 0.076 0.000 0.418 211 G N -1.751 107.214 108.800 0.274 0.000 2.488 211 G HA2 0.287 4.541 3.960 0.318 0.000 0.301 211 G HA3 0.287 4.543 3.960 0.481 -0.007 0.301 211 G C -3.238 171.796 174.900 0.224 0.000 1.339 211 G CA 0.376 45.681 45.100 0.341 0.000 0.803 211 G HN -0.713 7.699 8.290 0.204 0.000 0.482 212 A N -2.015 120.927 122.820 0.203 0.000 2.386 212 A HA 0.994 5.630 4.320 0.172 -0.213 0.311 212 A C -1.143 176.550 177.584 0.181 0.000 1.068 212 A CA -2.506 49.632 52.037 0.167 0.000 0.743 212 A CB 3.684 22.747 19.000 0.105 0.000 1.258 212 A HN -0.072 8.193 8.150 0.193 0.000 0.429 213 V N 0.984 120.999 119.914 0.167 0.000 2.557 213 V HA -0.256 3.762 4.120 -0.170 0.000 0.301 213 V C -0.441 175.616 176.094 -0.062 0.000 1.026 213 V CA 1.947 64.242 62.300 -0.008 0.000 1.137 213 V CB -1.268 30.570 31.823 0.026 0.000 0.917 213 V HN 0.018 8.307 8.190 0.166 0.000 0.484 214 S N 7.100 122.681 115.700 -0.197 0.000 3.334 214 S HA 0.213 4.823 4.470 0.234 0.000 0.224 214 S C -0.918 173.763 174.600 0.135 0.000 0.959 214 S CA 0.557 58.801 58.200 0.074 0.000 0.815 214 S CB 2.765 66.029 63.200 0.107 0.000 0.861 214 S HN 0.094 8.110 8.310 -0.490 0.000 0.596 215 W N -4.488 116.640 121.300 -0.287 0.000 2.959 215 W HA 0.207 4.727 4.660 -0.233 0.000 0.358 215 W C -2.798 173.555 176.519 -0.276 0.000 1.228 215 W CA -0.683 56.503 57.345 -0.265 0.000 1.183 215 W CB 0.582 29.883 29.460 -0.264 0.000 1.467 215 W HN -0.256 7.665 8.180 -0.430 0.000 0.578 216 G N -2.789 105.993 108.800 -0.031 0.000 2.349 216 G HA2 -0.076 3.592 3.960 -0.487 0.000 0.294 216 G HA3 -0.076 3.773 3.960 -0.185 0.000 0.294 216 G C -2.440 172.556 174.900 0.160 0.000 1.380 216 G CA 0.266 45.278 45.100 -0.147 0.000 0.811 216 G HN -0.007 8.418 8.290 0.225 0.000 0.519 220 c N 2.153 120.755 118.600 0.004 0.000 3.359 220 c HA 0.299 4.999 4.570 0.010 -0.124 0.194 220 c C -1.572 172.533 174.090 0.024 0.000 1.659 220 c CA -0.634 55.702 56.329 0.011 0.000 1.338 220 c CB -0.819 41.694 42.510 0.005 0.000 2.109 220 c HN 0.123 8.634 8.230 0.001 -0.281 0.518 221 R N -0.725 119.818 120.500 0.072 0.000 3.681 221 R HA 0.169 4.552 4.340 0.072 0.000 0.252 221 R C -3.184 173.181 176.300 0.107 0.000 1.000 221 R CA -1.187 54.971 56.100 0.098 0.000 1.056 221 R CB 0.864 31.246 30.300 0.136 0.000 1.243 221 R HN 0.216 8.531 8.270 0.076 0.000 0.549 222 P HA -0.205 4.345 4.420 0.015 -0.121 0.265 222 P C -0.370 176.923 177.300 -0.012 0.000 1.193 222 P CA 0.469 63.587 63.100 0.030 0.000 0.765 222 P CB 0.107 31.817 31.700 0.017 0.000 0.823 223 N N -4.164 114.470 118.700 -0.109 0.000 2.741 223 N HA -0.450 4.140 4.740 -0.251 0.000 0.251 223 N C -1.707 173.421 175.510 -0.637 0.000 1.112 223 N CA 1.926 54.787 53.050 -0.315 0.000 0.750 223 N CB -1.230 37.045 38.487 -0.353 0.000 1.119 223 N HN 0.269 8.605 8.380 -0.073 0.000 0.561 224 Y N -1.700 118.532 120.300 -0.113 0.000 2.445 224 Y HA -0.008 4.342 4.550 -0.333 0.000 0.332 224 Y C -1.196 174.697 175.900 -0.012 0.000 1.037 224 Y CA -1.101 56.897 58.100 -0.172 0.000 1.296 224 Y CB 0.535 38.897 38.460 -0.164 0.000 1.099 224 Y HN -0.900 7.312 8.280 -0.014 0.059 0.496 225 S N 2.978 118.765 115.700 0.144 0.000 2.576 225 S HA -0.092 4.438 4.470 0.099 0.000 0.272 225 S C 0.253 174.912 174.600 0.100 0.000 1.352 225 S CA 1.302 59.584 58.200 0.137 0.000 1.021 225 S CB 0.721 63.996 63.200 0.125 0.000 0.887 225 S HN -0.051 8.617 8.310 0.084 -0.308 0.542 226 G N 0.238 109.052 108.800 0.022 0.000 2.483 226 G HA2 0.309 4.098 3.960 -0.284 0.000 0.248 226 G HA3 0.309 4.180 3.960 -0.148 0.000 0.248 226 G C -2.087 172.575 174.900 -0.396 0.000 1.248 226 G CA -0.263 44.718 45.100 -0.197 0.000 0.838 226 G HN -0.168 8.172 8.290 0.083 0.000 0.566 227 V N 2.140 121.512 119.914 -0.903 0.000 2.555 227 V HA 0.582 4.471 4.120 -0.629 -0.147 0.302 227 V C -1.046 174.394 176.094 -1.091 0.000 1.038 227 V CA -2.213 59.496 62.300 -0.985 0.000 0.887 227 V CB 2.037 32.882 31.823 -1.630 0.000 0.991 227 V HN 0.190 7.804 8.190 -0.960 0.000 0.434 228 Y N 4.030 123.954 120.300 -0.627 0.000 2.462 228 Y HA 0.380 4.820 4.550 -0.376 -0.116 0.346 228 Y C -1.300 174.334 175.900 -0.442 0.000 0.976 228 Y CA -2.068 55.669 58.100 -0.606 0.000 1.044 228 Y CB 4.128 41.929 38.460 -1.098 0.000 1.230 228 Y HN 0.657 8.617 8.280 -0.534 0.000 0.455 229 A N 2.460 125.251 122.820 -0.049 0.000 2.450 229 A HA 0.258 4.735 4.320 0.051 -0.126 0.255 229 A C -1.091 176.583 177.584 0.151 0.000 1.096 229 A CA -0.853 51.215 52.037 0.052 0.000 0.778 229 A CB 0.607 19.651 19.000 0.074 0.000 1.031 229 A HN 0.416 8.553 8.150 -0.021 0.000 0.494 230 S N 3.689 119.524 115.700 0.224 0.000 2.439 230 S HA 0.205 5.015 4.470 0.566 0.000 0.282 230 S C 1.002 175.734 174.600 0.220 0.000 1.170 230 S CA -2.084 56.329 58.200 0.356 0.000 1.054 230 S CB 0.661 64.066 63.200 0.342 0.000 0.956 230 S HN -0.120 8.293 8.310 0.171 0.000 0.490 231 V N 8.468 128.509 119.914 0.212 0.000 2.343 231 V HA -0.352 3.857 4.120 0.148 0.000 0.247 231 V C 1.547 177.705 176.094 0.107 0.000 1.051 231 V CA 3.288 65.672 62.300 0.141 0.000 1.036 231 V CB -0.430 31.457 31.823 0.106 0.000 0.654 231 V HN 0.236 8.584 8.190 0.264 0.000 0.451 232 G N -1.609 107.239 108.800 0.080 0.000 2.442 232 G HA2 -0.299 3.808 3.960 0.039 0.000 0.219 232 G HA3 -0.299 3.836 3.960 0.026 -0.159 0.219 232 G C 0.185 175.127 174.900 0.070 0.000 1.141 232 G CA 2.008 47.137 45.100 0.049 0.000 0.763 232 G HN 0.081 8.419 8.290 0.080 0.000 0.554 233 A N 0.779 123.654 122.820 0.092 0.000 2.016 233 A HA 0.030 4.396 4.320 0.076 0.000 0.217 233 A C 0.787 178.437 177.584 0.109 0.000 1.162 233 A CA 2.123 54.214 52.037 0.089 0.000 0.662 233 A CB -0.162 18.892 19.000 0.090 0.000 0.812 233 A HN -0.634 7.564 8.150 0.108 0.017 0.450 234 L N -4.754 116.551 121.223 0.137 0.000 2.910 234 L HA 0.261 4.735 4.340 0.225 0.000 0.252 234 L C 0.358 177.379 176.870 0.252 0.000 1.195 234 L CA -1.264 53.702 54.840 0.211 0.000 1.003 234 L CB -0.544 41.629 42.059 0.190 0.000 1.328 234 L HN -0.875 7.294 8.230 0.133 0.141 0.540 235 R N 0.261 120.859 120.500 0.162 0.000 2.120 235 R HA -0.327 4.083 4.340 0.116 0.000 0.234 235 R C 1.601 177.970 176.300 0.115 0.000 1.123 235 R CA 2.442 58.613 56.100 0.119 0.000 0.975 235 R CB -0.719 29.622 30.300 0.068 0.000 0.866 235 R HN -0.555 7.724 8.270 0.135 0.072 0.446 236 S N -1.062 114.721 115.700 0.139 0.000 2.368 236 S HA -0.264 4.237 4.470 0.052 0.000 0.225 236 S C 1.796 176.474 174.600 0.130 0.000 1.030 236 S CA 3.759 62.022 58.200 0.104 0.000 0.999 236 S CB -0.642 62.620 63.200 0.103 0.000 0.844 236 S HN 0.209 8.588 8.310 0.153 0.023 0.459 237 F N 3.427 123.432 119.950 0.093 0.000 2.102 237 F HA -0.299 4.284 4.527 0.094 0.000 0.298 237 F C 1.110 176.998 175.800 0.147 0.000 1.105 237 F CA 2.850 60.925 58.000 0.125 0.000 1.239 237 F CB 0.012 39.119 39.000 0.178 0.000 0.991 237 F HN -0.948 7.596 8.300 0.406 0.000 0.474 238 I N -1.438 119.122 120.570 -0.017 0.000 2.226 238 I HA -0.684 3.276 4.170 -0.351 0.000 0.245 238 I C 1.654 177.675 176.117 -0.159 0.000 1.100 238 I CA 4.126 65.326 61.300 -0.165 0.000 1.374 238 I CB -0.429 37.573 38.000 0.004 0.000 1.057 238 I HN -0.734 7.601 8.210 0.207 0.000 0.413 239 D N -0.675 119.667 120.400 -0.097 0.000 2.178 239 D HA -0.162 4.421 4.640 -0.095 0.000 0.202 239 D C 2.257 178.452 176.300 -0.175 0.000 0.974 239 D CA 2.981 56.917 54.000 -0.106 0.000 0.841 239 D CB -0.441 40.321 40.800 -0.064 0.000 0.953 239 D HN -0.202 8.138 8.370 -0.049 0.000 0.478 240 T N -0.588 113.808 114.554 -0.263 0.000 2.788 240 T HA -0.265 3.865 4.350 -0.366 0.000 0.268 240 T C 0.763 175.102 174.700 -0.602 0.000 1.044 240 T CA 3.344 65.157 62.100 -0.478 0.000 1.139 240 T CB 0.494 68.966 68.868 -0.660 0.000 0.867 240 T HN -0.494 7.594 8.240 -0.222 0.019 0.454 241 Y N -2.382 117.771 120.300 -0.246 0.000 2.430 241 Y HA 0.074 4.523 4.550 -0.168 0.000 0.248 241 Y C -0.747 175.031 175.900 -0.204 0.000 1.108 241 Y CA -0.904 57.054 58.100 -0.236 0.000 1.264 241 Y CB 0.527 38.776 38.460 -0.353 0.000 1.172 241 Y HN -0.785 7.307 8.280 -0.314 0.000 0.520 242 A N 0.000 122.769 122.820 -0.086 0.000 2.254 242 A HA 0.000 4.273 4.320 -0.078 0.000 0.244 242 A CA 0.000 51.986 52.037 -0.086 0.000 0.836 242 A CB 0.000 18.939 19.000 -0.101 0.000 0.831 242 A HN 0.000 8.073 8.150 -0.128 0.000 0.486