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 2rcn_1_A DATA FIRST_RESID 43 DATA SEQUENCE LFGEPAEGIV ISRFGMHADV ESADGEVHRC NIRRTIRSLV TGDRVVWRPG DATA SEQUENCE KXXXXXXXVK GIVEAVHERT SVLTRPXXXX XVKPIAANID QIVIVSAILP DATA SEQUENCE ELSLNIIDRY LVGCETLQVE PLIVLNKIDL LDDEGMDFVN EQMDIYRNIG DATA SEQUENCE YRVLMVSSHT QDGLKPLEEA LTGRISIFAG QSGVGKSSLL NALLGLQNEI DATA SEQUENCE LTNXXXXXXX XXXXXXTAAR LYHFPHGGDV IDSPGVREFG LWHLEPEQIT DATA SEQUENCE QGFVEFHDYL GHCKYRDCKH DADPGCAIRE AVENGAIAET RFENYHRILE DATA SEQUENCE SMA 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 43 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 43 L C 0.000 176.581 176.870 -0.482 0.000 1.165 43 L CA 0.000 54.691 54.840 -0.249 0.000 0.813 43 L CB 0.000 41.979 42.059 -0.134 0.000 0.961 44 F N 1.858 121.794 119.950 -0.023 0.000 2.613 44 F HA 0.846 5.373 4.527 -0.001 0.000 0.342 44 F C 1.194 176.956 175.800 -0.063 0.000 1.066 44 F CA 0.247 58.226 58.000 -0.036 0.000 1.002 44 F CB 1.553 40.529 39.000 -0.039 0.000 1.319 44 F HN 0.515 8.815 8.300 -0.000 0.000 0.495 45 G N -0.757 108.110 108.800 0.111 0.000 2.666 45 G HA2 0.293 4.251 3.960 -0.003 0.000 0.207 45 G HA3 0.293 4.251 3.960 -0.003 0.000 0.207 45 G C -0.587 174.271 174.900 -0.070 0.000 1.481 45 G CA -0.489 44.606 45.100 -0.009 0.000 1.071 45 G HN 0.416 8.706 8.290 -0.000 0.000 0.572 46 E N 1.061 121.185 120.200 -0.127 0.000 2.373 46 E HA 0.230 4.578 4.350 -0.003 0.000 0.267 46 E C -2.051 174.381 176.600 -0.281 0.000 1.032 46 E CA -1.350 54.954 56.400 -0.160 0.000 0.889 46 E CB 0.920 30.540 29.700 -0.134 0.000 0.984 46 E HN 0.067 8.427 8.360 -0.000 0.000 0.425 47 P HA 0.199 4.619 4.420 -0.000 0.000 0.272 47 P C -1.133 175.931 177.300 -0.394 0.000 1.230 47 P CA 0.006 62.902 63.100 -0.339 0.000 0.788 47 P CB 0.784 32.365 31.700 -0.199 0.000 0.949 48 A N 0.567 123.064 122.820 -0.538 0.000 2.609 48 A HA 0.542 4.860 4.320 -0.003 0.000 0.291 48 A C -1.038 176.484 177.584 -0.104 0.000 1.096 48 A CA -0.592 51.231 52.037 -0.357 0.000 0.684 48 A CB 1.029 19.743 19.000 -0.477 0.000 1.282 48 A HN 0.369 8.519 8.150 -0.000 0.000 0.412 49 E N -0.245 120.034 120.200 0.131 0.000 2.318 49 E HA 0.656 5.004 4.350 -0.003 0.000 0.265 49 E C 0.232 177.089 176.600 0.427 0.000 1.069 49 E CA 0.323 56.879 56.400 0.261 0.000 0.893 49 E CB 1.675 31.485 29.700 0.184 0.000 1.076 49 E HN 1.171 9.531 8.360 -0.000 0.000 0.414 50 G N 0.135 109.135 108.800 0.333 0.000 2.559 50 G HA2 0.541 4.499 3.960 -0.003 0.000 0.291 50 G HA3 0.541 4.499 3.960 -0.003 0.000 0.291 50 G C -1.573 173.383 174.900 0.094 0.000 1.424 50 G CA -0.648 44.557 45.100 0.174 0.000 0.786 50 G HN 0.411 8.701 8.290 -0.000 0.000 0.485 51 I N 0.080 120.659 120.570 0.016 0.000 2.647 51 I HA 0.583 4.751 4.170 -0.003 0.000 0.295 51 I C -0.631 175.462 176.117 -0.040 0.000 1.078 51 I CA -1.148 60.162 61.300 0.016 0.000 1.048 51 I CB 2.258 40.281 38.000 0.038 0.000 1.239 51 I HN 0.310 8.520 8.210 -0.000 0.000 0.421 52 V N 8.007 127.901 119.914 -0.034 0.000 2.415 52 V HA 0.068 4.186 4.120 -0.003 0.000 0.267 52 V C 1.271 177.327 176.094 -0.065 0.000 1.042 52 V CA -0.153 62.116 62.300 -0.052 0.000 1.000 52 V CB 0.701 32.507 31.823 -0.029 0.000 1.015 52 V HN 0.598 8.788 8.190 -0.000 0.000 0.478 53 I N 2.947 123.464 120.570 -0.089 0.000 2.406 53 I HA 0.023 4.191 4.170 -0.003 0.000 0.249 53 I C 1.077 177.132 176.117 -0.102 0.000 1.122 53 I CA 1.269 62.492 61.300 -0.129 0.000 1.431 53 I CB -0.134 37.777 38.000 -0.149 0.000 1.087 53 I HN 0.688 8.898 8.210 -0.000 0.000 0.424 54 S N -0.221 115.467 115.700 -0.020 0.000 2.542 54 S HA 0.447 4.915 4.470 -0.003 0.000 0.276 54 S C -0.751 173.941 174.600 0.152 0.000 1.148 54 S CA -0.782 57.448 58.200 0.050 0.000 0.886 54 S CB 1.433 64.693 63.200 0.100 0.000 1.109 54 S HN 0.190 8.500 8.310 -0.000 0.000 0.458 55 R N 3.237 123.802 120.500 0.108 0.000 2.230 55 R HA 0.447 4.785 4.340 -0.003 0.000 0.337 55 R C -0.825 175.580 176.300 0.174 0.000 1.063 55 R CA -0.362 55.816 56.100 0.131 0.000 0.935 55 R CB -0.685 29.644 30.300 0.049 0.000 1.121 55 R HN 0.546 8.816 8.270 -0.000 0.000 0.486 56 F N 4.575 124.531 119.950 0.011 0.000 2.778 56 F HA 0.209 4.734 4.527 -0.003 0.000 0.295 56 F C 1.826 177.659 175.800 0.055 0.000 1.262 56 F CA 0.684 58.702 58.000 0.030 0.000 1.429 56 F CB -0.044 38.983 39.000 0.045 0.000 1.072 56 F HN 0.929 9.229 8.300 -0.000 0.000 0.514 57 G N 0.817 109.689 108.800 0.121 0.000 4.236 57 G HA2 -0.468 3.490 3.960 -0.003 0.000 0.222 57 G HA3 -0.468 3.490 3.960 -0.003 0.000 0.222 57 G C 1.341 176.297 174.900 0.093 0.000 1.354 57 G CA 0.892 46.039 45.100 0.080 0.000 0.966 57 G HN 0.408 8.698 8.290 -0.000 0.000 0.624 58 M N 0.066 119.764 119.600 0.163 0.000 2.449 58 M HA 0.388 4.866 4.480 -0.003 0.000 0.262 58 M C 0.815 177.064 176.300 -0.086 0.000 1.152 58 M CA 0.555 55.889 55.300 0.057 0.000 1.104 58 M CB 0.687 33.346 32.600 0.097 0.000 1.416 58 M HN 0.502 8.792 8.290 -0.000 0.000 0.519 59 H N -0.653 118.476 119.070 0.098 0.000 2.896 59 H HA 0.844 5.398 4.556 -0.004 0.000 0.318 59 H C -1.187 174.178 175.328 0.062 0.000 1.409 59 H CA -0.564 55.513 56.048 0.048 0.000 1.328 59 H CB 1.586 31.342 29.762 -0.010 0.000 1.940 59 H HN 0.138 8.418 8.280 -0.000 0.000 0.665 60 A N 0.304 123.186 122.820 0.103 0.000 2.547 60 A HA 0.420 4.738 4.320 -0.003 0.000 0.297 60 A C -1.605 175.912 177.584 -0.112 0.000 1.056 60 A CA -0.821 51.235 52.037 0.031 0.000 0.688 60 A CB 1.196 20.203 19.000 0.011 0.000 1.282 60 A HN 0.637 8.787 8.150 -0.000 0.000 0.400 61 D N 1.753 122.072 120.400 -0.135 0.000 2.359 61 D HA 0.446 5.084 4.640 -0.003 0.000 0.230 61 D C -0.495 175.700 176.300 -0.174 0.000 1.118 61 D CA 0.237 54.111 54.000 -0.210 0.000 0.844 61 D CB 1.647 42.319 40.800 -0.213 0.000 1.059 61 D HN 0.197 8.567 8.370 -0.000 0.000 0.493 62 V N 2.609 122.374 119.914 -0.249 0.000 2.394 62 V HA 0.190 4.308 4.120 -0.003 0.000 0.282 62 V C 0.471 176.372 176.094 -0.322 0.000 1.031 62 V CA -0.840 61.271 62.300 -0.315 0.000 0.881 62 V CB 1.740 33.250 31.823 -0.522 0.000 0.982 62 V HN 0.402 8.592 8.190 -0.000 0.000 0.451 63 E N 3.237 123.322 120.200 -0.191 0.000 2.194 63 E HA 0.346 4.694 4.350 -0.003 0.000 0.284 63 E C 0.035 176.583 176.600 -0.087 0.000 1.035 63 E CA -0.161 56.177 56.400 -0.103 0.000 0.836 63 E CB 1.135 30.837 29.700 0.005 0.000 1.070 63 E HN 0.707 9.068 8.360 -0.000 0.000 0.401 64 S N 2.807 118.492 115.700 -0.026 0.000 2.608 64 S HA 0.253 4.721 4.470 -0.003 0.000 0.261 64 S C 1.099 175.802 174.600 0.171 0.000 1.314 64 S CA 0.211 58.514 58.200 0.172 0.000 0.992 64 S CB 1.002 64.453 63.200 0.418 0.000 0.935 64 S HN 0.680 8.990 8.310 -0.000 0.000 0.564 65 A N 1.370 124.321 122.820 0.217 0.000 2.225 65 A HA -0.049 4.270 4.320 -0.003 0.000 0.215 65 A C 1.119 178.762 177.584 0.098 0.000 1.164 65 A CA 1.584 53.701 52.037 0.134 0.000 0.710 65 A CB -0.583 18.493 19.000 0.127 0.000 0.780 65 A HN 0.863 9.013 8.150 -0.000 0.000 0.473 66 D N -3.444 117.030 120.400 0.123 0.000 2.395 66 D HA 0.326 4.964 4.640 -0.003 0.000 0.213 66 D C 1.111 177.450 176.300 0.065 0.000 1.110 66 D CA 0.727 54.781 54.000 0.090 0.000 0.835 66 D CB -0.338 40.530 40.800 0.113 0.000 0.965 66 D HN 0.583 8.953 8.370 -0.000 0.000 0.505 67 G N 0.852 109.685 108.800 0.055 0.000 2.241 67 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.244 67 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.244 67 G C 0.015 174.925 174.900 0.017 0.000 0.998 67 G CA 0.140 45.247 45.100 0.011 0.000 0.621 67 G HN 0.611 8.901 8.290 -0.000 0.000 0.519 68 E N 0.831 121.069 120.200 0.064 0.000 2.338 68 E HA 0.543 4.891 4.350 -0.003 0.000 0.272 68 E C -0.121 176.432 176.600 -0.078 0.000 1.029 68 E CA -0.742 55.654 56.400 -0.007 0.000 0.872 68 E CB 2.145 31.875 29.700 0.050 0.000 1.015 68 E HN 0.159 8.519 8.360 -0.000 0.000 0.417 69 V N 3.551 123.323 119.914 -0.236 0.000 2.465 69 V HA 0.192 4.310 4.120 -0.003 0.000 0.279 69 V C -0.745 175.063 176.094 -0.476 0.000 1.045 69 V CA -0.566 61.582 62.300 -0.254 0.000 0.938 69 V CB 0.496 32.206 31.823 -0.188 0.000 0.986 69 V HN 0.647 8.837 8.190 -0.000 0.000 0.467 70 H N 2.847 121.711 119.070 -0.343 0.000 2.609 70 H HA 0.524 5.078 4.556 -0.003 0.000 0.344 70 H C -0.117 175.037 175.328 -0.290 0.000 1.040 70 H CA -0.683 55.182 56.048 -0.305 0.000 1.216 70 H CB 1.040 30.557 29.762 -0.408 0.000 1.529 70 H HN 0.565 8.845 8.280 -0.000 0.000 0.519 71 R N 2.681 123.105 120.500 -0.126 0.000 2.316 71 R HA 0.418 4.756 4.340 -0.003 0.000 0.314 71 R C -1.064 175.214 176.300 -0.037 0.000 1.069 71 R CA 0.017 56.010 56.100 -0.179 0.000 0.959 71 R CB -0.143 30.000 30.300 -0.260 0.000 0.987 71 R HN 0.652 8.922 8.270 -0.000 0.000 0.446 72 C N 3.338 122.628 119.300 -0.017 0.000 2.779 72 C HA 0.524 4.982 4.460 -0.003 0.000 0.314 72 C C -0.121 174.923 174.990 0.091 0.000 1.231 72 C CA -1.133 57.925 59.018 0.066 0.000 1.652 72 C CB 1.813 29.569 27.740 0.025 0.000 2.198 72 C HN 0.831 9.061 8.230 -0.000 0.000 0.483 73 N N 0.316 119.055 118.700 0.065 0.000 2.364 73 N HA 0.603 5.341 4.740 -0.003 0.000 0.264 73 N C -1.045 174.407 175.510 -0.098 0.000 1.263 73 N CA -0.074 52.929 53.050 -0.078 0.000 0.959 73 N CB 0.635 39.102 38.487 -0.035 0.000 1.204 73 N HN 0.535 8.915 8.380 -0.000 0.000 0.550 74 I N 1.232 121.721 120.570 -0.134 0.000 2.466 74 I HA 0.251 4.420 4.170 -0.003 0.000 0.289 74 I C 0.151 176.213 176.117 -0.091 0.000 1.026 74 I CA -0.865 60.376 61.300 -0.098 0.000 1.078 74 I CB 1.731 39.680 38.000 -0.084 0.000 1.249 74 I HN 0.100 8.310 8.210 -0.000 0.000 0.429 75 R N 4.806 125.253 120.500 -0.088 0.000 2.585 75 R HA 0.084 4.422 4.340 -0.003 0.000 0.275 75 R C 1.152 177.418 176.300 -0.056 0.000 1.018 75 R CA -0.152 55.903 56.100 -0.075 0.000 1.072 75 R CB 0.467 30.719 30.300 -0.080 0.000 0.953 75 R HN 0.538 8.808 8.270 -0.000 0.000 0.419 76 R N 1.032 121.506 120.500 -0.044 0.000 2.159 76 R HA -0.113 4.225 4.340 -0.003 0.000 0.237 76 R C 1.769 178.050 176.300 -0.031 0.000 1.131 76 R CA 2.018 58.098 56.100 -0.034 0.000 0.982 76 R CB -0.777 29.508 30.300 -0.024 0.000 0.868 76 R HN 0.761 9.031 8.270 -0.000 0.000 0.453 77 T N -1.125 113.409 114.554 -0.034 0.000 3.072 77 T HA 0.038 4.386 4.350 -0.003 0.000 0.266 77 T C 1.098 175.778 174.700 -0.033 0.000 1.127 77 T CA 0.119 62.200 62.100 -0.031 0.000 1.107 77 T CB -0.091 68.758 68.868 -0.032 0.000 0.910 77 T HN -0.115 8.125 8.240 -0.000 0.000 0.513 78 I N 2.874 123.421 120.570 -0.038 0.000 2.421 78 I HA 0.247 4.415 4.170 -0.003 0.000 0.291 78 I C 1.416 177.516 176.117 -0.029 0.000 1.089 78 I CA -0.147 61.131 61.300 -0.037 0.000 1.354 78 I CB 0.577 38.551 38.000 -0.043 0.000 1.413 78 I HN 0.265 8.475 8.210 -0.000 0.000 0.513 79 R N 3.583 124.069 120.500 -0.024 0.000 2.148 79 R HA -0.007 4.331 4.340 -0.003 0.000 0.223 79 R C 0.302 176.591 176.300 -0.018 0.000 1.088 79 R CA 0.725 56.814 56.100 -0.019 0.000 0.985 79 R CB 0.060 30.351 30.300 -0.015 0.000 0.880 79 R HN 0.775 9.045 8.270 -0.000 0.000 0.451 80 S N -0.442 115.247 115.700 -0.019 0.000 2.570 80 S HA 0.428 4.896 4.470 -0.003 0.000 0.286 80 S C -1.580 173.011 174.600 -0.016 0.000 1.143 80 S CA -1.124 57.066 58.200 -0.016 0.000 0.921 80 S CB 1.640 64.831 63.200 -0.015 0.000 1.108 80 S HN 0.024 8.334 8.310 -0.000 0.000 0.456 81 L N 3.712 124.927 121.223 -0.013 0.000 2.439 81 L HA 0.881 5.220 4.340 -0.003 0.000 0.270 81 L C -0.897 175.970 176.870 -0.006 0.000 0.972 81 L CA -0.343 54.490 54.840 -0.011 0.000 0.836 81 L CB 1.808 43.859 42.059 -0.013 0.000 1.255 81 L HN 1.126 9.356 8.230 -0.000 0.000 0.404 82 V N 0.285 120.195 119.914 -0.006 0.000 3.102 82 V HA 0.672 4.790 4.120 -0.003 0.000 0.312 82 V C 0.084 176.173 176.094 -0.009 0.000 1.135 82 V CA -0.716 61.580 62.300 -0.007 0.000 1.022 82 V CB 1.652 33.468 31.823 -0.011 0.000 1.056 82 V HN 0.687 8.877 8.190 -0.000 0.000 0.436 83 T N 2.196 116.742 114.554 -0.013 0.000 2.933 83 T HA 0.444 4.792 4.350 -0.003 0.000 0.306 83 T C 1.298 175.984 174.700 -0.023 0.000 1.045 83 T CA 1.635 63.721 62.100 -0.025 0.000 1.143 83 T CB 0.249 69.097 68.868 -0.035 0.000 1.003 83 T HN 2.222 10.462 8.240 -0.000 0.000 0.540 84 G N 3.077 111.862 108.800 -0.024 0.000 2.234 84 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.235 84 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.235 84 G C -0.035 174.869 174.900 0.008 0.000 0.997 84 G CA -0.232 44.862 45.100 -0.011 0.000 0.623 84 G HN 0.694 8.984 8.290 -0.000 0.000 0.514 85 D N 1.240 121.644 120.400 0.008 0.000 2.414 85 D HA 0.327 4.965 4.640 -0.003 0.000 0.242 85 D C 0.915 177.244 176.300 0.049 0.000 1.129 85 D CA 0.193 54.209 54.000 0.025 0.000 0.885 85 D CB 0.461 41.268 40.800 0.013 0.000 1.198 85 D HN 0.344 8.714 8.370 -0.000 0.000 0.437 86 R N 1.320 121.877 120.500 0.095 0.000 2.254 86 R HA 0.471 4.809 4.340 -0.003 0.000 0.318 86 R C -0.464 175.942 176.300 0.176 0.000 1.031 86 R CA -0.644 55.558 56.100 0.170 0.000 0.905 86 R CB 1.314 31.745 30.300 0.219 0.000 1.050 86 R HN 0.150 8.420 8.270 -0.000 0.000 0.456 87 V N 2.684 122.685 119.914 0.145 0.000 3.102 87 V HA 0.380 4.498 4.120 -0.003 0.000 0.312 87 V C -0.416 175.728 176.094 0.083 0.000 1.135 87 V CA -0.933 61.386 62.300 0.033 0.000 1.022 87 V CB 2.694 34.542 31.823 0.042 0.000 1.056 87 V HN 0.400 8.590 8.190 -0.000 0.000 0.436 88 V N 3.490 123.381 119.914 -0.039 0.000 2.347 88 V HA 0.516 4.634 4.120 -0.003 0.000 0.280 88 V C -0.638 175.490 176.094 0.056 0.000 1.021 88 V CA -0.337 61.959 62.300 -0.007 0.000 0.847 88 V CB 1.121 32.868 31.823 -0.126 0.000 0.990 88 V HN 0.888 9.078 8.190 -0.000 0.000 0.444 89 W N 5.070 126.307 121.300 -0.105 0.000 2.929 89 W HA 0.838 5.496 4.660 -0.003 0.000 0.345 89 W C -1.188 175.252 176.519 -0.131 0.000 1.151 89 W CA -1.475 55.789 57.345 -0.134 0.000 1.111 89 W CB 1.674 31.062 29.460 -0.119 0.000 1.449 89 W HN 0.352 8.532 8.180 -0.000 0.000 0.572 90 R N 1.747 122.067 120.500 -0.301 0.000 2.621 90 R HA 0.424 4.762 4.340 -0.003 0.000 0.284 90 R C -2.561 173.667 176.300 -0.121 0.000 0.998 90 R CA -1.813 54.007 56.100 -0.466 0.000 0.895 90 R CB 2.931 33.084 30.300 -0.245 0.000 1.195 90 R HN 0.117 8.387 8.270 -0.000 0.000 0.450 91 P HA 0.087 4.507 4.420 -0.000 0.000 0.278 91 P C -0.257 177.231 177.300 0.314 0.000 1.238 91 P CA -0.232 62.980 63.100 0.188 0.000 0.794 91 P CB 1.166 32.876 31.700 0.018 0.000 0.955 92 G N 2.673 111.684 108.800 0.353 0.000 2.444 92 G HA2 0.296 4.254 3.960 -0.003 0.000 0.268 92 G HA3 0.296 4.254 3.960 -0.003 0.000 0.268 92 G C -0.235 174.664 174.900 -0.002 0.000 1.203 92 G CA -0.511 44.661 45.100 0.120 0.000 0.835 92 G HN 0.398 8.688 8.290 -0.000 0.000 0.543 102 K N 2.349 122.828 120.400 0.133 0.000 2.273 102 K HA 0.616 4.934 4.320 -0.003 0.000 0.287 102 K C 0.879 177.658 176.600 0.298 0.000 1.089 102 K CA 0.484 56.871 56.287 0.167 0.000 0.909 102 K CB 0.752 33.332 32.500 0.134 0.000 1.123 102 K HN 0.627 8.877 8.250 -0.000 0.000 0.473 103 G N 3.493 112.490 108.800 0.329 0.000 2.494 103 G HA2 0.332 4.290 3.960 -0.003 0.000 0.270 103 G HA3 0.332 4.290 3.960 -0.003 0.000 0.270 103 G C -0.767 174.279 174.900 0.243 0.000 1.423 103 G CA -0.627 44.737 45.100 0.440 0.000 1.055 103 G HN 0.679 8.969 8.290 -0.000 0.000 0.536 104 I N -1.201 119.364 120.570 -0.008 0.000 2.656 104 I HA 0.405 4.573 4.170 -0.003 0.000 0.292 104 I C -0.924 175.129 176.117 -0.105 0.000 1.144 104 I CA -0.883 60.288 61.300 -0.216 0.000 1.038 104 I CB 2.267 39.827 38.000 -0.734 0.000 1.244 104 I HN 0.237 8.447 8.210 -0.000 0.000 0.420 105 V N 7.736 127.612 119.914 -0.064 0.000 2.455 105 V HA 0.210 4.328 4.120 -0.003 0.000 0.273 105 V C 0.855 176.898 176.094 -0.085 0.000 1.045 105 V CA -0.084 62.205 62.300 -0.019 0.000 0.976 105 V CB 0.975 32.784 31.823 -0.024 0.000 0.993 105 V HN 0.774 8.964 8.190 -0.000 0.000 0.475 106 E N 3.279 123.428 120.200 -0.084 0.000 2.127 106 E HA 0.301 4.649 4.350 -0.003 0.000 0.191 106 E C 0.565 177.106 176.600 -0.098 0.000 0.964 106 E CA 0.890 57.221 56.400 -0.114 0.000 0.832 106 E CB 0.831 30.452 29.700 -0.131 0.000 0.790 106 E HN 0.767 9.127 8.360 -0.000 0.000 0.465 107 A N 0.196 122.953 122.820 -0.106 0.000 2.609 107 A HA 0.566 4.884 4.320 -0.003 0.000 0.291 107 A C -1.316 176.170 177.584 -0.163 0.000 1.096 107 A CA -0.584 51.377 52.037 -0.128 0.000 0.684 107 A CB 1.758 20.668 19.000 -0.150 0.000 1.282 107 A HN -0.074 8.076 8.150 -0.000 0.000 0.412 108 V N 2.845 122.670 119.914 -0.149 0.000 2.444 108 V HA 0.365 4.483 4.120 -0.003 0.000 0.294 108 V C -0.318 175.707 176.094 -0.115 0.000 1.022 108 V CA -0.754 61.471 62.300 -0.126 0.000 0.850 108 V CB 1.227 33.021 31.823 -0.049 0.000 0.992 108 V HN 0.913 9.103 8.190 -0.000 0.000 0.426 109 H N 2.601 121.678 119.070 0.012 0.000 2.822 109 H HA 0.189 4.743 4.556 -0.003 0.000 0.373 109 H C 0.318 175.651 175.328 0.008 0.000 1.223 109 H CA -0.020 56.034 56.048 0.011 0.000 1.436 109 H CB 0.880 30.652 29.762 0.017 0.000 1.439 109 H HN 0.568 8.848 8.280 -0.000 0.000 0.618 110 E N 1.910 122.203 120.200 0.155 0.000 2.414 110 E HA 0.017 4.365 4.350 -0.003 0.000 0.263 110 E C 0.224 176.865 176.600 0.068 0.000 1.000 110 E CA 0.075 56.523 56.400 0.079 0.000 0.914 110 E CB 0.637 30.372 29.700 0.059 0.000 0.948 110 E HN 0.352 8.712 8.360 -0.000 0.000 0.444 111 R N 1.308 121.834 120.500 0.043 0.000 2.340 111 R HA 0.132 4.470 4.340 -0.003 0.000 0.300 111 R C 1.203 177.517 176.300 0.024 0.000 1.069 111 R CA -0.084 56.035 56.100 0.032 0.000 0.984 111 R CB 0.496 30.806 30.300 0.017 0.000 1.003 111 R HN 0.418 8.688 8.270 -0.000 0.000 0.459 112 T N 0.328 114.895 114.554 0.022 0.000 2.951 112 T HA -0.067 4.281 4.350 -0.003 0.000 0.268 112 T C 0.587 175.297 174.700 0.017 0.000 1.073 112 T CA 1.227 63.338 62.100 0.019 0.000 1.134 112 T CB 0.061 68.939 68.868 0.018 0.000 0.884 112 T HN 0.784 9.024 8.240 -0.000 0.000 0.479 113 S N -0.750 114.956 115.700 0.009 0.000 2.611 113 S HA 0.658 5.126 4.470 -0.003 0.000 0.268 113 S C -1.699 172.893 174.600 -0.014 0.000 1.156 113 S CA -0.871 57.330 58.200 0.001 0.000 0.817 113 S CB 2.135 65.333 63.200 -0.004 0.000 1.122 113 S HN 0.069 8.379 8.310 -0.000 0.000 0.466 114 V N 1.200 121.096 119.914 -0.030 0.000 2.752 114 V HA 0.667 4.786 4.120 -0.003 0.000 0.302 114 V C -1.883 174.165 176.094 -0.076 0.000 1.133 114 V CA -0.658 61.614 62.300 -0.047 0.000 0.919 114 V CB 1.628 33.424 31.823 -0.044 0.000 1.026 114 V HN 1.080 9.270 8.190 -0.000 0.000 0.429 115 L N 6.780 127.954 121.223 -0.081 0.000 2.289 115 L HA 0.892 5.231 4.340 -0.003 0.000 0.285 115 L C 0.377 177.205 176.870 -0.070 0.000 1.049 115 L CA 0.821 55.606 54.840 -0.093 0.000 0.804 115 L CB 1.734 43.726 42.059 -0.111 0.000 1.195 115 L HN 0.977 9.207 8.230 -0.000 0.000 0.428 116 T N 1.995 116.497 114.554 -0.086 0.000 2.907 116 T HA 0.676 5.024 4.350 -0.003 0.000 0.290 116 T C -0.194 174.486 174.700 -0.032 0.000 1.066 116 T CA -1.040 61.003 62.100 -0.095 0.000 1.012 116 T CB 1.424 70.172 68.868 -0.198 0.000 1.184 116 T HN 0.518 8.758 8.240 -0.000 0.000 0.522 117 R N 1.438 121.925 120.500 -0.021 0.000 2.460 117 R HA 0.557 4.895 4.340 -0.003 0.000 0.303 117 R C -2.152 174.157 176.300 0.014 0.000 0.968 117 R CA -1.938 54.179 56.100 0.029 0.000 0.889 117 R CB 1.303 31.624 30.300 0.034 0.000 1.123 117 R HN 0.572 8.842 8.270 -0.000 0.000 0.455 125 K N 3.661 124.029 120.400 -0.054 0.000 2.206 125 K HA 0.780 5.098 4.320 -0.003 0.000 0.264 125 K C -2.726 173.849 176.600 -0.042 0.000 0.967 125 K CA -2.345 53.919 56.287 -0.038 0.000 0.844 125 K CB 2.289 34.778 32.500 -0.020 0.000 1.099 125 K HN 0.390 8.640 8.250 -0.000 0.000 0.441 126 P HA 0.092 4.512 4.420 -0.000 0.000 0.276 126 P C 0.042 177.327 177.300 -0.024 0.000 1.230 126 P CA -0.007 63.069 63.100 -0.039 0.000 0.776 126 P CB 0.705 32.384 31.700 -0.036 0.000 0.888 127 I N -0.353 120.205 120.570 -0.020 0.000 4.433 127 I HA 0.563 4.731 4.170 -0.003 0.000 0.322 127 I C 0.394 176.502 176.117 -0.014 0.000 1.284 127 I CA -0.267 61.028 61.300 -0.009 0.000 1.269 127 I CB 0.583 38.587 38.000 0.006 0.000 1.219 127 I HN 0.207 8.417 8.210 -0.000 0.000 0.436 128 A N 1.215 124.021 122.820 -0.023 0.000 2.594 128 A HA 0.906 5.224 4.320 -0.003 0.000 0.295 128 A C -1.213 176.353 177.584 -0.031 0.000 1.071 128 A CA -0.060 51.962 52.037 -0.026 0.000 0.685 128 A CB 1.533 20.515 19.000 -0.030 0.000 1.285 128 A HN 0.421 8.571 8.150 -0.000 0.000 0.405 129 A N 0.884 123.690 122.820 -0.023 0.000 2.469 129 A HA 0.781 5.099 4.320 -0.003 0.000 0.299 129 A C 0.023 177.602 177.584 -0.008 0.000 1.098 129 A CA -0.357 51.670 52.037 -0.016 0.000 0.737 129 A CB 0.614 19.611 19.000 -0.006 0.000 1.312 129 A HN 1.552 9.702 8.150 -0.000 0.000 0.414 130 N N -0.428 118.270 118.700 -0.003 0.000 2.747 130 N HA -0.124 4.614 4.740 -0.003 0.000 0.249 130 N C -0.255 175.257 175.510 0.004 0.000 1.107 130 N CA 0.782 53.836 53.050 0.007 0.000 0.707 130 N CB -1.099 37.400 38.487 0.019 0.000 1.054 130 N HN 0.570 8.950 8.380 -0.000 0.000 0.555 131 I N 0.930 121.492 120.570 -0.014 0.000 2.556 131 I HA 0.034 4.202 4.170 -0.003 0.000 0.284 131 I C 1.516 177.629 176.117 -0.007 0.000 1.114 131 I CA 0.362 61.651 61.300 -0.018 0.000 1.418 131 I CB 0.738 38.700 38.000 -0.063 0.000 1.394 131 I HN 0.031 8.241 8.210 -0.000 0.000 0.552 132 D N 3.397 123.803 120.400 0.010 0.000 2.423 132 D HA 0.047 4.685 4.640 -0.003 0.000 0.212 132 D C 0.579 176.884 176.300 0.009 0.000 1.060 132 D CA 0.618 54.628 54.000 0.017 0.000 0.872 132 D CB 1.200 42.019 40.800 0.033 0.000 1.012 132 D HN 0.597 8.967 8.370 -0.000 0.000 0.503 133 Q N 1.054 120.854 119.800 0.000 0.000 2.295 133 Q HA 0.354 4.692 4.340 -0.003 0.000 0.268 133 Q C -1.852 174.117 176.000 -0.051 0.000 1.010 133 Q CA -0.777 55.014 55.803 -0.021 0.000 0.856 133 Q CB 2.078 30.814 28.738 -0.004 0.000 1.349 133 Q HN 0.047 8.317 8.270 -0.000 0.000 0.412 134 I N 1.848 122.360 120.570 -0.097 0.000 2.362 134 I HA 0.514 4.682 4.170 -0.003 0.000 0.289 134 I C -1.415 174.579 176.117 -0.206 0.000 0.994 134 I CA -0.465 60.750 61.300 -0.142 0.000 1.158 134 I CB 1.778 39.674 38.000 -0.173 0.000 1.315 134 I HN 0.340 8.550 8.210 -0.000 0.000 0.451 135 V N 8.237 127.969 119.914 -0.302 0.000 2.389 135 V HA 0.314 4.432 4.120 -0.003 0.000 0.264 135 V C 0.481 176.287 176.094 -0.479 0.000 1.049 135 V CA -0.256 61.748 62.300 -0.493 0.000 0.932 135 V CB 0.440 31.660 31.823 -1.005 0.000 1.011 135 V HN 0.612 8.802 8.190 -0.000 0.000 0.475 136 I N 6.017 126.347 120.570 -0.401 0.000 2.322 136 I HA 0.246 4.414 4.170 -0.003 0.000 0.292 136 I C -0.176 175.742 176.117 -0.333 0.000 1.060 136 I CA -0.175 60.879 61.300 -0.411 0.000 1.309 136 I CB 1.051 38.836 38.000 -0.358 0.000 1.415 136 I HN 0.286 8.496 8.210 -0.000 0.000 0.492 137 V N 5.762 125.503 119.914 -0.289 0.000 2.394 137 V HA 0.434 4.552 4.120 -0.003 0.000 0.282 137 V C 0.219 176.251 176.094 -0.103 0.000 1.031 137 V CA -0.165 62.029 62.300 -0.178 0.000 0.881 137 V CB 1.437 33.196 31.823 -0.107 0.000 0.982 137 V HN 0.760 8.950 8.190 -0.000 0.000 0.451 138 S N 2.172 117.824 115.700 -0.080 0.000 2.667 138 S HA 0.978 5.446 4.470 -0.003 0.000 0.292 138 S C -0.392 174.192 174.600 -0.026 0.000 1.126 138 S CA -0.315 57.862 58.200 -0.038 0.000 0.881 138 S CB 2.156 65.333 63.200 -0.038 0.000 1.132 138 S HN 1.169 9.479 8.310 -0.000 0.000 0.492 139 A N 0.575 123.389 122.820 -0.010 0.000 2.606 139 A HA 0.618 4.937 4.320 -0.003 0.000 0.293 139 A C 0.460 178.043 177.584 -0.001 0.000 1.082 139 A CA -0.655 51.375 52.037 -0.012 0.000 0.685 139 A CB 0.331 19.318 19.000 -0.021 0.000 1.284 139 A HN 0.577 8.727 8.150 -0.000 0.000 0.408 140 I N -0.159 120.409 120.570 -0.003 0.000 2.208 140 I HA -0.070 4.098 4.170 -0.003 0.000 0.245 140 I C 0.588 176.701 176.117 -0.007 0.000 1.097 140 I CA 1.733 63.033 61.300 -0.001 0.000 1.363 140 I CB -1.562 36.433 38.000 -0.008 0.000 1.051 140 I HN 0.418 8.628 8.210 -0.000 0.000 0.413 141 L N 1.171 122.387 121.223 -0.012 0.000 2.370 141 L HA 0.302 4.640 4.340 -0.003 0.000 0.266 141 L C -1.395 175.470 176.870 -0.008 0.000 1.002 141 L CA -1.498 53.336 54.840 -0.011 0.000 0.818 141 L CB 2.455 44.505 42.059 -0.014 0.000 1.325 141 L HN -0.211 8.019 8.230 -0.000 0.000 0.418 142 P HA -0.106 4.314 4.420 -0.000 0.000 0.219 142 P C -0.041 177.261 177.300 0.004 0.000 1.150 142 P CA 1.132 64.233 63.100 0.002 0.000 0.814 142 P CB 0.800 32.505 31.700 0.007 0.000 0.787 143 E N -0.625 119.581 120.200 0.009 0.000 2.343 143 E HA 0.313 4.661 4.350 -0.003 0.000 0.288 143 E C -1.710 174.904 176.600 0.023 0.000 0.907 143 E CA -0.801 55.607 56.400 0.015 0.000 0.792 143 E CB 1.408 31.118 29.700 0.017 0.000 1.275 143 E HN -0.167 8.193 8.360 -0.000 0.000 0.402 144 L N 4.326 125.566 121.223 0.029 0.000 2.352 144 L HA 0.366 4.704 4.340 -0.003 0.000 0.272 144 L C -0.790 176.118 176.870 0.063 0.000 1.109 144 L CA 0.154 55.021 54.840 0.045 0.000 0.952 144 L CB 0.796 42.890 42.059 0.058 0.000 1.314 144 L HN 0.341 8.571 8.230 -0.000 0.000 0.427 145 S N 3.564 119.298 115.700 0.056 0.000 2.422 145 S HA 0.282 4.750 4.470 -0.003 0.000 0.298 145 S C 1.098 175.746 174.600 0.081 0.000 1.118 145 S CA -0.654 57.585 58.200 0.064 0.000 1.083 145 S CB 0.600 63.826 63.200 0.044 0.000 0.971 145 S HN 0.627 8.937 8.310 -0.000 0.000 0.478 146 L N 5.446 126.740 121.223 0.120 0.000 2.217 146 L HA 0.073 4.411 4.340 -0.003 0.000 0.211 146 L C 2.261 179.221 176.870 0.150 0.000 1.107 146 L CA 1.423 56.370 54.840 0.178 0.000 0.783 146 L CB -1.086 41.111 42.059 0.228 0.000 0.919 146 L HN 0.792 9.022 8.230 -0.000 0.000 0.442 147 N N -0.419 118.343 118.700 0.103 0.000 2.188 147 N HA -0.182 4.556 4.740 -0.003 0.000 0.184 147 N C 1.761 177.276 175.510 0.008 0.000 1.018 147 N CA 1.117 54.210 53.050 0.071 0.000 0.858 147 N CB 0.037 38.551 38.487 0.045 0.000 0.989 147 N HN 0.126 8.506 8.380 -0.000 0.000 0.426 148 I N 0.831 121.398 120.570 -0.004 0.000 2.202 148 I HA -0.192 3.976 4.170 -0.003 0.000 0.242 148 I C 2.048 178.154 176.117 -0.018 0.000 1.091 148 I CA 0.954 62.217 61.300 -0.063 0.000 1.368 148 I CB -0.961 37.045 38.000 0.011 0.000 1.058 148 I HN 0.265 8.475 8.210 -0.000 0.000 0.410 149 I N 0.808 121.402 120.570 0.040 0.000 2.179 149 I HA -0.316 3.852 4.170 -0.003 0.000 0.242 149 I C 2.098 178.192 176.117 -0.038 0.000 1.088 149 I CA 1.455 62.752 61.300 -0.005 0.000 1.357 149 I CB -0.462 37.417 38.000 -0.202 0.000 1.051 149 I HN 0.185 8.395 8.210 -0.000 0.000 0.409 150 D N 0.660 121.063 120.400 0.003 0.000 2.178 150 D HA -0.140 4.498 4.640 -0.003 0.000 0.201 150 D C 2.330 178.537 176.300 -0.155 0.000 0.980 150 D CA 1.081 55.051 54.000 -0.049 0.000 0.842 150 D CB -0.222 40.634 40.800 0.094 0.000 0.948 150 D HN 0.319 8.689 8.370 -0.000 0.000 0.472 151 R N -0.502 119.911 120.500 -0.146 0.000 2.075 151 R HA -0.111 4.227 4.340 -0.003 0.000 0.232 151 R C 2.262 178.403 176.300 -0.263 0.000 1.126 151 R CA 0.811 56.769 56.100 -0.237 0.000 0.963 151 R CB -0.329 29.772 30.300 -0.331 0.000 0.858 151 R HN 0.254 8.524 8.270 -0.000 0.000 0.435 152 Y N 1.088 121.291 120.300 -0.161 0.000 2.181 152 Y HA -0.140 4.408 4.550 -0.003 0.000 0.288 152 Y C 2.182 178.013 175.900 -0.115 0.000 1.146 152 Y CA 1.030 59.054 58.100 -0.126 0.000 1.164 152 Y CB -0.438 37.967 38.460 -0.091 0.000 0.982 152 Y HN -0.024 8.256 8.280 -0.000 0.000 0.515 153 L N -1.434 119.759 121.223 -0.051 0.000 2.083 153 L HA -0.216 4.122 4.340 -0.003 0.000 0.209 153 L C 2.285 179.071 176.870 -0.141 0.000 1.083 153 L CA 0.789 55.522 54.840 -0.179 0.000 0.752 153 L CB -0.798 41.083 42.059 -0.296 0.000 0.899 153 L HN 0.057 8.287 8.230 -0.000 0.000 0.433 154 V N 0.202 120.000 119.914 -0.194 0.000 2.343 154 V HA -0.219 3.899 4.120 -0.003 0.000 0.247 154 V C 2.611 178.663 176.094 -0.070 0.000 1.051 154 V CA 2.035 64.238 62.300 -0.162 0.000 1.036 154 V CB -1.152 30.565 31.823 -0.176 0.000 0.654 154 V HN 0.578 8.768 8.190 -0.000 0.000 0.451 155 G N -1.314 107.460 108.800 -0.043 0.000 2.418 155 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.217 155 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.217 155 G C 1.743 176.833 174.900 0.318 0.000 1.158 155 G CA 1.315 46.489 45.100 0.123 0.000 0.771 155 G HN 0.535 8.825 8.290 -0.000 0.000 0.545 156 C N 0.307 119.744 119.300 0.228 0.000 2.432 156 C HA 0.016 4.474 4.460 -0.003 0.000 0.277 156 C C 2.817 177.887 174.990 0.132 0.000 1.249 156 C CA 0.879 59.992 59.018 0.160 0.000 1.725 156 C CB -0.502 27.263 27.740 0.042 0.000 2.028 156 C HN 0.443 8.673 8.230 -0.000 0.000 0.477 157 E N 0.661 120.923 120.200 0.103 0.000 2.118 157 E HA -0.150 4.198 4.350 -0.003 0.000 0.195 157 E C 2.174 178.860 176.600 0.143 0.000 0.992 157 E CA 1.658 58.132 56.400 0.123 0.000 0.804 157 E CB -0.829 28.940 29.700 0.116 0.000 0.741 157 E HN 0.625 8.985 8.360 -0.000 0.000 0.458 158 T N 1.617 116.264 114.554 0.156 0.000 2.777 158 T HA -0.046 4.302 4.350 -0.003 0.000 0.266 158 T C 2.016 176.872 174.700 0.261 0.000 1.040 158 T CA 0.707 62.930 62.100 0.205 0.000 1.141 158 T CB -0.136 68.860 68.868 0.212 0.000 0.868 158 T HN 0.101 8.341 8.240 -0.000 0.000 0.444 159 L N 0.513 121.912 121.223 0.294 0.000 2.478 159 L HA 0.099 4.437 4.340 -0.003 0.000 0.223 159 L C 0.663 177.613 176.870 0.133 0.000 1.140 159 L CA 0.444 55.418 54.840 0.224 0.000 0.842 159 L CB -0.515 41.675 42.059 0.218 0.000 0.953 159 L HN 0.366 8.596 8.230 -0.000 0.000 0.452 160 Q N 0.118 119.996 119.800 0.131 0.000 2.470 160 Q HA -0.153 4.185 4.340 -0.003 0.000 0.294 160 Q C -0.640 175.405 176.000 0.074 0.000 1.356 160 Q CA 0.433 56.295 55.803 0.100 0.000 0.805 160 Q CB -1.791 27.000 28.738 0.088 0.000 1.157 160 Q HN 0.431 8.701 8.270 -0.000 0.000 0.431 161 V N -3.157 116.798 119.914 0.068 0.000 2.680 161 V HA 0.622 4.740 4.120 -0.003 0.000 0.309 161 V C -0.009 176.106 176.094 0.036 0.000 1.052 161 V CA -1.022 61.300 62.300 0.036 0.000 0.908 161 V CB 2.178 34.003 31.823 0.002 0.000 1.001 161 V HN 0.302 8.492 8.190 -0.000 0.000 0.431 162 E N 5.376 125.593 120.200 0.029 0.000 2.360 162 E HA 0.407 4.756 4.350 -0.003 0.000 0.269 162 E C -2.393 174.193 176.600 -0.023 0.000 1.022 162 E CA -1.741 54.678 56.400 0.032 0.000 0.887 162 E CB 1.350 31.075 29.700 0.042 0.000 0.990 162 E HN 0.724 9.084 8.360 -0.000 0.000 0.426 163 P HA 0.230 4.650 4.420 -0.000 0.000 0.285 163 P C -1.336 175.869 177.300 -0.159 0.000 1.269 163 P CA -0.686 62.311 63.100 -0.171 0.000 0.844 163 P CB 1.215 32.710 31.700 -0.342 0.000 1.094 164 L N 2.330 123.434 121.223 -0.198 0.000 2.446 164 L HA 0.457 4.795 4.340 -0.003 0.000 0.268 164 L C -0.906 175.823 176.870 -0.235 0.000 0.975 164 L CA -0.628 54.105 54.840 -0.179 0.000 0.848 164 L CB 0.699 42.653 42.059 -0.176 0.000 1.225 164 L HN 0.208 8.438 8.230 -0.000 0.000 0.410 165 I N 5.858 126.304 120.570 -0.208 0.000 2.337 165 I HA 0.338 4.507 4.170 -0.003 0.000 0.291 165 I C -0.485 175.524 176.117 -0.180 0.000 1.046 165 I CA -0.503 60.656 61.300 -0.234 0.000 1.324 165 I CB 1.185 39.027 38.000 -0.263 0.000 1.409 165 I HN 0.277 8.487 8.210 -0.000 0.000 0.494 166 V N 7.596 127.391 119.914 -0.199 0.000 2.384 166 V HA 0.295 4.413 4.120 -0.003 0.000 0.287 166 V C -0.139 175.889 176.094 -0.111 0.000 1.020 166 V CA -0.669 61.540 62.300 -0.150 0.000 0.850 166 V CB 2.167 33.879 31.823 -0.185 0.000 0.987 166 V HN 0.450 8.640 8.190 -0.000 0.000 0.436 167 L N 5.538 126.720 121.223 -0.069 0.000 2.272 167 L HA 0.550 4.888 4.340 -0.003 0.000 0.284 167 L C -0.224 176.628 176.870 -0.030 0.000 1.045 167 L CA 0.202 55.017 54.840 -0.041 0.000 0.842 167 L CB 0.720 42.770 42.059 -0.014 0.000 1.224 167 L HN 0.780 9.010 8.230 -0.000 0.000 0.430 168 N N 4.178 122.858 118.700 -0.033 0.000 2.482 168 N HA 0.322 5.060 4.740 -0.003 0.000 0.279 168 N C -0.178 175.309 175.510 -0.039 0.000 1.182 168 N CA -0.070 52.961 53.050 -0.031 0.000 0.969 168 N CB 0.924 39.395 38.487 -0.027 0.000 1.201 168 N HN 0.465 8.845 8.380 -0.000 0.000 0.523 169 K N 0.421 120.787 120.400 -0.058 0.000 3.251 169 K HA -0.133 4.185 4.320 -0.003 0.000 0.282 169 K C 0.840 177.417 176.600 -0.038 0.000 1.201 169 K CA 0.826 57.067 56.287 -0.076 0.000 0.827 169 K CB -2.140 30.309 32.500 -0.084 0.000 1.286 169 K HN 0.663 8.913 8.250 -0.000 0.000 0.503 170 I N -1.353 119.206 120.570 -0.020 0.000 2.916 170 I HA -0.179 3.989 4.170 -0.003 0.000 0.267 170 I C 1.799 177.917 176.117 0.001 0.000 1.263 170 I CA 1.530 62.829 61.300 -0.002 0.000 1.471 170 I CB -0.331 37.673 38.000 0.006 0.000 1.089 170 I HN 0.179 8.389 8.210 -0.000 0.000 0.468 171 D N 1.434 121.831 120.400 -0.005 0.000 2.312 171 D HA -0.165 4.473 4.640 -0.003 0.000 0.211 171 D C 1.782 178.085 176.300 0.004 0.000 0.964 171 D CA 0.679 54.683 54.000 0.006 0.000 0.877 171 D CB -0.075 40.735 40.800 0.016 0.000 0.924 171 D HN 0.373 8.743 8.370 -0.000 0.000 0.515 172 L N 0.304 121.523 121.223 -0.007 0.000 2.599 172 L HA 0.264 4.602 4.340 -0.003 0.000 0.230 172 L C 0.480 177.348 176.870 -0.003 0.000 1.141 172 L CA 0.344 55.180 54.840 -0.006 0.000 0.877 172 L CB -0.486 41.563 42.059 -0.018 0.000 1.009 172 L HN 0.043 8.273 8.230 -0.000 0.000 0.447 173 L N -0.900 120.325 121.223 0.004 0.000 2.333 173 L HA 0.425 4.763 4.340 -0.003 0.000 0.269 173 L C -0.307 176.571 176.870 0.014 0.000 1.010 173 L CA -1.079 53.767 54.840 0.009 0.000 0.818 173 L CB 1.698 43.769 42.059 0.020 0.000 1.306 173 L HN 0.010 8.240 8.230 -0.000 0.000 0.430 174 D N -1.136 119.273 120.400 0.015 0.000 2.549 174 D HA 0.175 4.813 4.640 -0.003 0.000 0.270 174 D C 0.240 176.556 176.300 0.027 0.000 1.181 174 D CA -0.580 53.431 54.000 0.017 0.000 1.070 174 D CB 0.575 41.383 40.800 0.013 0.000 1.154 174 D HN 0.421 8.791 8.370 -0.000 0.000 0.602 175 D N -0.671 119.744 120.400 0.026 0.000 2.126 175 D HA -0.226 4.413 4.640 -0.003 0.000 0.190 175 D C 1.601 177.928 176.300 0.045 0.000 1.001 175 D CA 1.997 56.016 54.000 0.032 0.000 0.841 175 D CB -0.073 40.743 40.800 0.026 0.000 0.949 175 D HN 0.730 9.100 8.370 -0.000 0.000 0.446 176 E N -0.171 120.056 120.200 0.045 0.000 2.110 176 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 176 E C 2.194 178.849 176.600 0.092 0.000 0.988 176 E CA 1.316 57.756 56.400 0.065 0.000 0.804 176 E CB -0.322 29.408 29.700 0.050 0.000 0.745 176 E HN 0.297 8.657 8.360 -0.000 0.000 0.458 177 G N 0.989 109.825 108.800 0.060 0.000 2.418 177 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.217 177 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.217 177 G C 1.558 176.525 174.900 0.111 0.000 1.158 177 G CA 0.837 45.974 45.100 0.061 0.000 0.771 177 G HN 0.166 8.456 8.290 -0.000 0.000 0.545 178 M N 1.157 120.807 119.600 0.082 0.000 2.080 178 M HA -0.059 4.419 4.480 -0.003 0.000 0.260 178 M C 2.134 178.492 176.300 0.096 0.000 1.068 178 M CA 1.276 56.623 55.300 0.078 0.000 1.109 178 M CB -0.925 31.706 32.600 0.051 0.000 1.342 178 M HN 0.173 8.463 8.290 -0.000 0.000 0.405 179 D N -0.657 119.800 120.400 0.095 0.000 2.144 179 D HA -0.176 4.462 4.640 -0.003 0.000 0.199 179 D C 1.825 178.184 176.300 0.100 0.000 0.984 179 D CA 1.079 55.127 54.000 0.079 0.000 0.834 179 D CB -0.473 40.368 40.800 0.069 0.000 0.955 179 D HN 0.293 8.663 8.370 -0.000 0.000 0.465 180 F N 1.664 121.626 119.950 0.019 0.000 2.084 180 F HA -0.183 4.342 4.527 -0.003 0.000 0.296 180 F C 2.303 178.122 175.800 0.030 0.000 1.111 180 F CA 0.934 58.948 58.000 0.023 0.000 1.224 180 F CB -0.407 38.606 39.000 0.022 0.000 0.991 180 F HN -0.245 8.055 8.300 -0.000 0.000 0.471 181 V N 0.918 121.052 119.914 0.367 0.000 2.332 181 V HA -0.337 3.781 4.120 -0.003 0.000 0.248 181 V C 2.299 178.460 176.094 0.112 0.000 1.055 181 V CA 2.141 64.589 62.300 0.247 0.000 1.038 181 V CB -0.859 31.067 31.823 0.173 0.000 0.651 181 V HN 0.400 8.590 8.190 -0.000 0.000 0.450 182 N N -0.081 118.664 118.700 0.074 0.000 2.166 182 N HA -0.196 4.543 4.740 -0.003 0.000 0.186 182 N C 1.964 177.477 175.510 0.004 0.000 1.019 182 N CA 1.608 54.682 53.050 0.040 0.000 0.856 182 N CB -0.158 38.348 38.487 0.031 0.000 0.993 182 N HN 0.687 9.066 8.380 -0.000 0.000 0.426 183 E N 0.623 120.791 120.200 -0.053 0.000 2.110 183 E HA -0.170 4.178 4.350 -0.003 0.000 0.193 183 E C 1.562 178.098 176.600 -0.108 0.000 0.988 183 E CA 0.857 57.190 56.400 -0.112 0.000 0.804 183 E CB 0.219 29.790 29.700 -0.216 0.000 0.745 183 E HN 0.262 8.622 8.360 -0.000 0.000 0.458 184 Q N -0.242 119.499 119.800 -0.098 0.000 2.050 184 Q HA -0.132 4.206 4.340 -0.003 0.000 0.202 184 Q C 2.140 178.201 176.000 0.101 0.000 0.980 184 Q CA 1.095 56.893 55.803 -0.009 0.000 0.840 184 Q CB -0.205 28.586 28.738 0.089 0.000 0.898 184 Q HN 0.413 8.683 8.270 -0.000 0.000 0.424 185 M N 0.939 120.621 119.600 0.137 0.000 2.374 185 M HA -0.105 4.373 4.480 -0.003 0.000 0.264 185 M C 1.155 177.552 176.300 0.162 0.000 1.067 185 M CA 0.938 56.374 55.300 0.227 0.000 1.103 185 M CB -0.838 31.847 32.600 0.143 0.000 1.402 185 M HN 0.077 8.367 8.290 -0.000 0.000 0.444 186 D N 0.661 121.094 120.400 0.055 0.000 2.218 186 D HA -0.112 4.526 4.640 -0.003 0.000 0.204 186 D C 2.004 178.286 176.300 -0.030 0.000 0.976 186 D CA 0.801 54.809 54.000 0.014 0.000 0.853 186 D CB 0.034 40.823 40.800 -0.018 0.000 0.939 186 D HN 0.242 8.612 8.370 -0.000 0.000 0.481 187 I N 0.434 120.945 120.570 -0.098 0.000 2.194 187 I HA -0.291 3.877 4.170 -0.003 0.000 0.246 187 I C 2.075 177.991 176.117 -0.334 0.000 1.093 187 I CA 1.371 62.512 61.300 -0.265 0.000 1.355 187 I CB -1.153 36.568 38.000 -0.466 0.000 1.046 187 I HN 0.098 8.308 8.210 -0.000 0.000 0.413 188 Y N 0.648 120.987 120.300 0.065 0.000 2.286 188 Y HA -0.009 4.539 4.550 -0.003 0.000 0.293 188 Y C 2.737 178.687 175.900 0.084 0.000 1.124 188 Y CA 0.705 58.877 58.100 0.119 0.000 1.178 188 Y CB -0.566 37.972 38.460 0.131 0.000 1.010 188 Y HN 0.064 8.344 8.280 -0.000 0.000 0.536 189 R N 0.137 120.733 120.500 0.160 0.000 2.096 189 R HA -0.159 4.179 4.340 -0.003 0.000 0.235 189 R C 1.514 177.823 176.300 0.015 0.000 1.127 189 R CA 1.620 57.771 56.100 0.086 0.000 0.968 189 R CB -0.507 29.828 30.300 0.059 0.000 0.861 189 R HN 0.341 8.611 8.270 -0.000 0.000 0.440 190 N N 0.873 119.565 118.700 -0.013 0.000 2.520 190 N HA -0.066 4.672 4.740 -0.003 0.000 0.185 190 N C 1.345 176.810 175.510 -0.074 0.000 1.068 190 N CA 0.771 53.795 53.050 -0.043 0.000 0.911 190 N CB 0.082 38.542 38.487 -0.046 0.000 0.961 190 N HN 0.389 8.769 8.380 -0.000 0.000 0.446 191 I N -5.277 115.228 120.570 -0.107 0.000 3.914 191 I HA 0.486 4.654 4.170 -0.003 0.000 0.333 191 I C 0.965 176.873 176.117 -0.348 0.000 1.449 191 I CA -0.144 61.036 61.300 -0.200 0.000 1.135 191 I CB 0.104 37.977 38.000 -0.211 0.000 1.073 191 I HN -0.003 8.207 8.210 -0.000 0.000 0.401 192 G N 0.664 109.328 108.800 -0.226 0.000 2.176 192 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.232 192 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.232 192 G C -0.185 174.627 174.900 -0.147 0.000 0.986 192 G CA -0.267 44.703 45.100 -0.217 0.000 0.643 192 G HN 0.380 8.670 8.290 -0.000 0.000 0.522 193 Y N 2.141 122.456 120.300 0.026 0.000 2.299 193 Y HA 0.561 5.109 4.550 -0.003 0.000 0.326 193 Y C 1.387 177.299 175.900 0.020 0.000 1.164 193 Y CA -1.181 56.934 58.100 0.025 0.000 1.234 193 Y CB 0.652 39.143 38.460 0.052 0.000 1.219 193 Y HN 0.321 8.601 8.280 -0.000 0.000 0.497 194 R N 1.746 122.350 120.500 0.173 0.000 2.298 194 R HA 0.579 4.917 4.340 -0.003 0.000 0.310 194 R C -1.392 174.935 176.300 0.045 0.000 1.068 194 R CA -0.472 55.675 56.100 0.079 0.000 0.957 194 R CB 0.350 30.673 30.300 0.039 0.000 1.003 194 R HN 0.387 8.657 8.270 -0.000 0.000 0.454 195 V N 5.158 125.095 119.914 0.039 0.000 2.513 195 V HA 0.431 4.549 4.120 -0.003 0.000 0.299 195 V C 0.022 176.111 176.094 -0.007 0.000 1.035 195 V CA -0.908 61.398 62.300 0.011 0.000 0.889 195 V CB 1.830 33.682 31.823 0.049 0.000 0.988 195 V HN 0.628 8.818 8.190 -0.000 0.000 0.440 196 L N 5.103 126.307 121.223 -0.033 0.000 2.376 196 L HA 0.565 4.903 4.340 -0.003 0.000 0.275 196 L C -0.584 176.270 176.870 -0.027 0.000 0.987 196 L CA -0.533 54.289 54.840 -0.031 0.000 0.828 196 L CB 1.978 44.008 42.059 -0.047 0.000 1.249 196 L HN 0.440 8.670 8.230 -0.000 0.000 0.409 197 M N 5.117 124.710 119.600 -0.011 0.000 2.144 197 M HA 0.513 4.991 4.480 -0.003 0.000 0.356 197 M C -0.167 176.129 176.300 -0.007 0.000 1.217 197 M CA -0.389 54.908 55.300 -0.005 0.000 1.087 197 M CB 1.222 33.826 32.600 0.008 0.000 1.609 197 M HN 0.455 8.745 8.290 -0.000 0.000 0.467 198 V N 0.719 120.628 119.914 -0.009 0.000 3.202 198 V HA 0.922 5.040 4.120 -0.003 0.000 0.306 198 V C -0.981 175.110 176.094 -0.004 0.000 1.283 198 V CA -0.731 61.567 62.300 -0.004 0.000 1.065 198 V CB 2.270 34.091 31.823 -0.003 0.000 1.079 198 V HN 0.847 9.037 8.190 -0.000 0.000 0.448 199 S N -0.007 115.695 115.700 0.004 0.000 2.750 199 S HA 0.404 4.872 4.470 -0.003 0.000 0.276 199 S C 0.709 175.326 174.600 0.027 0.000 1.165 199 S CA 0.238 58.438 58.200 -0.000 0.000 1.047 199 S CB 1.491 64.697 63.200 0.010 0.000 1.056 199 S HN 1.638 9.948 8.310 -0.000 0.000 0.481 200 S N 3.009 118.722 115.700 0.021 0.000 2.356 200 S HA -0.141 4.327 4.470 -0.003 0.000 0.223 200 S C 1.453 176.159 174.600 0.177 0.000 1.032 200 S CA 1.684 59.934 58.200 0.084 0.000 1.005 200 S CB -0.656 62.597 63.200 0.088 0.000 0.867 200 S HN 0.907 9.217 8.310 -0.000 0.000 0.449 201 H N -0.690 118.388 119.070 0.013 0.000 2.421 201 H HA -0.026 4.529 4.556 -0.003 0.000 0.298 201 H C 1.680 177.014 175.328 0.010 0.000 1.087 201 H CA 1.491 57.544 56.048 0.010 0.000 1.330 201 H CB 0.017 29.784 29.762 0.009 0.000 1.388 201 H HN 0.411 8.691 8.280 -0.000 0.000 0.526 202 T N -0.422 114.214 114.554 0.136 0.000 3.022 202 T HA -0.010 4.338 4.350 -0.003 0.000 0.250 202 T C 0.489 175.222 174.700 0.054 0.000 1.060 202 T CA 0.124 62.269 62.100 0.075 0.000 1.013 202 T CB 0.421 69.323 68.868 0.057 0.000 0.982 202 T HN 0.223 8.463 8.240 -0.000 0.000 0.508 203 Q N 0.613 120.448 119.800 0.058 0.000 2.374 203 Q HA -0.125 4.213 4.340 -0.003 0.000 0.218 203 Q C -0.677 175.341 176.000 0.030 0.000 0.691 203 Q CA 0.689 56.518 55.803 0.043 0.000 1.340 203 Q CB -1.771 26.990 28.738 0.038 0.000 1.498 203 Q HN 0.401 8.671 8.270 -0.000 0.000 0.739 204 D N -0.310 120.107 120.400 0.027 0.000 2.424 204 D HA 0.418 5.056 4.640 -0.003 0.000 0.244 204 D C 1.543 177.850 176.300 0.012 0.000 1.134 204 D CA 1.639 55.650 54.000 0.018 0.000 0.881 204 D CB 0.371 41.181 40.800 0.017 0.000 1.191 204 D HN 0.350 8.720 8.370 -0.000 0.000 0.445 205 G N 1.654 110.458 108.800 0.006 0.000 2.189 205 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.267 205 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.267 205 G C 1.083 175.980 174.900 -0.004 0.000 0.975 205 G CA 0.251 45.351 45.100 -0.001 0.000 0.644 205 G HN 0.461 8.751 8.290 -0.000 0.000 0.537 206 L N 0.712 121.937 121.223 0.003 0.000 2.141 206 L HA 0.186 4.524 4.340 -0.003 0.000 0.209 206 L C 2.659 179.524 176.870 -0.009 0.000 1.094 206 L CA 2.723 57.565 54.840 0.004 0.000 0.763 206 L CB -0.528 41.543 42.059 0.019 0.000 0.908 206 L HN 0.506 8.736 8.230 -0.000 0.000 0.437 207 K N -0.330 120.064 120.400 -0.011 0.000 2.026 207 K HA -0.136 4.183 4.320 -0.003 0.000 0.208 207 K C -0.552 176.026 176.600 -0.036 0.000 1.048 207 K CA 1.429 57.700 56.287 -0.026 0.000 0.929 207 K CB -0.799 31.683 32.500 -0.031 0.000 0.713 207 K HN 0.197 8.447 8.250 -0.000 0.000 0.439 208 P HA -0.132 4.288 4.420 -0.000 0.000 0.221 208 P C 1.113 178.388 177.300 -0.042 0.000 1.150 208 P CA 0.710 63.791 63.100 -0.032 0.000 0.800 208 P CB 0.082 31.767 31.700 -0.024 0.000 0.787 209 L N 0.369 121.565 121.223 -0.045 0.000 2.056 209 L HA -0.129 4.209 4.340 -0.003 0.000 0.207 209 L C 1.935 178.748 176.870 -0.096 0.000 1.078 209 L CA 1.947 56.749 54.840 -0.063 0.000 0.749 209 L CB -1.326 40.705 42.059 -0.046 0.000 0.901 209 L HN -0.059 8.171 8.230 -0.000 0.000 0.433 210 E N -0.392 119.753 120.200 -0.091 0.000 2.077 210 E HA -0.245 4.104 4.350 -0.003 0.000 0.193 210 E C 1.980 178.534 176.600 -0.077 0.000 0.989 210 E CA 1.558 57.889 56.400 -0.116 0.000 0.800 210 E CB -0.170 29.517 29.700 -0.023 0.000 0.746 210 E HN 0.627 8.987 8.360 -0.000 0.000 0.452 211 E N 0.446 120.614 120.200 -0.052 0.000 2.153 211 E HA -0.168 4.180 4.350 -0.003 0.000 0.194 211 E C 1.911 178.495 176.600 -0.027 0.000 0.988 211 E CA 0.894 57.274 56.400 -0.033 0.000 0.811 211 E CB -0.070 29.610 29.700 -0.034 0.000 0.746 211 E HN 0.221 8.581 8.360 -0.000 0.000 0.466 212 A N 0.495 123.290 122.820 -0.042 0.000 2.123 212 A HA 0.019 4.337 4.320 -0.003 0.000 0.214 212 A C 2.000 179.565 177.584 -0.032 0.000 1.152 212 A CA 0.438 52.454 52.037 -0.035 0.000 0.728 212 A CB -0.097 18.874 19.000 -0.048 0.000 0.814 212 A HN 0.105 8.255 8.150 -0.000 0.000 0.464 213 L N -1.109 120.076 121.223 -0.062 0.000 2.307 213 L HA 0.034 4.372 4.340 -0.003 0.000 0.211 213 L C 1.495 178.395 176.870 0.050 0.000 1.099 213 L CA 0.324 55.135 54.840 -0.048 0.000 0.816 213 L CB -0.410 41.462 42.059 -0.312 0.000 0.952 213 L HN 0.257 8.487 8.230 -0.000 0.000 0.455 214 T N -0.258 114.319 114.554 0.039 0.000 2.937 214 T HA 0.220 4.569 4.350 -0.003 0.000 0.316 214 T C 1.158 175.913 174.700 0.092 0.000 1.079 214 T CA 0.909 63.066 62.100 0.095 0.000 1.131 214 T CB 0.601 69.516 68.868 0.078 0.000 1.000 214 T HN 0.626 8.866 8.240 -0.000 0.000 0.549 215 G N 3.660 112.525 108.800 0.109 0.000 2.168 215 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.257 215 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.257 215 G C 0.148 175.100 174.900 0.087 0.000 0.997 215 G CA 0.724 45.875 45.100 0.086 0.000 0.708 215 G HN 0.862 9.152 8.290 -0.000 0.000 0.520 216 R N -1.345 119.224 120.500 0.116 0.000 2.799 216 R HA 0.693 5.031 4.340 -0.003 0.000 0.270 216 R C -0.655 175.728 176.300 0.138 0.000 1.010 216 R CA -1.124 55.040 56.100 0.106 0.000 0.916 216 R CB 1.444 31.796 30.300 0.086 0.000 1.228 216 R HN 0.122 8.392 8.270 -0.000 0.000 0.469 217 I N 1.600 122.232 120.570 0.104 0.000 2.354 217 I HA 0.279 4.447 4.170 -0.003 0.000 0.286 217 I C -0.353 175.824 176.117 0.101 0.000 1.007 217 I CA -0.197 61.164 61.300 0.101 0.000 1.167 217 I CB 1.697 39.733 38.000 0.059 0.000 1.320 217 I HN 0.499 8.709 8.210 -0.000 0.000 0.458 218 S N 6.836 122.635 115.700 0.165 0.000 2.739 218 S HA 0.789 5.257 4.470 -0.003 0.000 0.306 218 S C -0.345 174.365 174.600 0.184 0.000 1.115 218 S CA -0.699 57.605 58.200 0.173 0.000 0.985 218 S CB 2.469 65.837 63.200 0.281 0.000 1.133 218 S HN 0.587 8.897 8.310 -0.000 0.000 0.541 219 I N -2.271 118.408 120.570 0.182 0.000 2.894 219 I HA 0.669 4.838 4.170 -0.003 0.000 0.302 219 I C -1.886 174.424 176.117 0.323 0.000 1.188 219 I CA -0.976 60.443 61.300 0.198 0.000 1.014 219 I CB 1.625 39.643 38.000 0.029 0.000 1.242 219 I HN 0.367 8.577 8.210 -0.000 0.000 0.430 220 F N 3.448 123.383 119.950 -0.025 0.000 2.347 220 F HA 0.769 5.295 4.527 -0.003 0.000 0.366 220 F C 0.525 176.287 175.800 -0.063 0.000 1.107 220 F CA -0.711 57.263 58.000 -0.044 0.000 1.058 220 F CB 1.543 40.531 39.000 -0.020 0.000 1.236 220 F HN 0.689 8.989 8.300 -0.000 0.000 0.456 221 A N 2.240 125.022 122.820 -0.065 0.000 2.306 221 A HA 0.969 5.287 4.320 -0.003 0.000 0.330 221 A C 0.126 177.517 177.584 -0.322 0.000 1.146 221 A CA -0.020 51.929 52.037 -0.147 0.000 0.827 221 A CB 1.094 19.973 19.000 -0.202 0.000 1.178 221 A HN 1.050 9.200 8.150 -0.000 0.000 0.490 222 G N 0.229 108.911 108.800 -0.198 0.000 2.340 222 G HA2 0.464 4.422 3.960 -0.003 0.000 0.300 222 G HA3 0.464 4.422 3.960 -0.003 0.000 0.300 222 G C -1.022 173.953 174.900 0.124 0.000 1.488 222 G CA -0.374 44.681 45.100 -0.075 0.000 0.878 222 G HN 1.192 9.482 8.290 -0.000 0.000 0.618 223 Q N 0.250 120.143 119.800 0.155 0.000 2.417 223 Q HA 0.549 4.887 4.340 -0.003 0.000 0.241 223 Q C 0.131 176.176 176.000 0.074 0.000 1.008 223 Q CA -0.125 55.750 55.803 0.120 0.000 0.901 223 Q CB 0.743 29.539 28.738 0.096 0.000 1.259 223 Q HN 0.387 8.657 8.270 -0.000 0.000 0.489 224 S N 0.245 115.982 115.700 0.061 0.000 2.558 224 S HA 0.331 4.799 4.470 -0.003 0.000 0.288 224 S C 1.045 175.666 174.600 0.034 0.000 1.318 224 S CA 0.466 58.693 58.200 0.045 0.000 1.056 224 S CB 0.344 63.566 63.200 0.038 0.000 0.853 224 S HN 1.003 9.313 8.310 -0.000 0.000 0.505 225 G N 0.434 109.251 108.800 0.029 0.000 2.176 225 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.253 225 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.253 225 G C 0.748 175.655 174.900 0.012 0.000 0.979 225 G CA 0.328 45.440 45.100 0.020 0.000 0.641 225 G HN 1.364 9.654 8.290 -0.000 0.000 0.530 226 V N -1.953 117.971 119.914 0.017 0.000 3.217 226 V HA 0.524 4.642 4.120 -0.003 0.000 0.264 226 V C 1.862 177.958 176.094 0.002 0.000 1.135 226 V CA 1.534 63.838 62.300 0.006 0.000 1.142 226 V CB -0.264 31.564 31.823 0.008 0.000 0.754 226 V HN 2.289 10.479 8.190 -0.000 0.000 0.484 227 G N 0.234 109.044 108.800 0.017 0.000 2.181 227 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.152 227 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.152 227 G C 0.481 175.419 174.900 0.063 0.000 1.026 227 G CA 0.290 45.404 45.100 0.023 0.000 0.699 227 G HN 0.468 8.758 8.290 -0.000 0.000 0.497 228 K N 0.290 120.737 120.400 0.078 0.000 1.984 228 K HA -0.010 4.308 4.320 -0.003 0.000 0.209 228 K C 2.622 179.242 176.600 0.033 0.000 1.046 228 K CA 1.634 57.998 56.287 0.129 0.000 0.934 228 K CB -0.273 32.305 32.500 0.130 0.000 0.717 228 K HN 0.269 8.519 8.250 -0.000 0.000 0.438 229 S N 0.786 116.487 115.700 0.001 0.000 2.383 229 S HA -0.164 4.304 4.470 -0.003 0.000 0.229 229 S C 2.101 176.682 174.600 -0.033 0.000 1.030 229 S CA 1.433 59.607 58.200 -0.043 0.000 1.002 229 S CB -0.247 62.937 63.200 -0.027 0.000 0.829 229 S HN 0.320 8.630 8.310 -0.000 0.000 0.467 230 S N 1.119 116.827 115.700 0.014 0.000 2.356 230 S HA -0.004 4.464 4.470 -0.003 0.000 0.223 230 S C 1.804 176.425 174.600 0.036 0.000 1.032 230 S CA 0.983 59.208 58.200 0.042 0.000 1.005 230 S CB -0.434 62.816 63.200 0.084 0.000 0.867 230 S HN 0.432 8.742 8.310 -0.000 0.000 0.449 231 L N 0.919 122.170 121.223 0.047 0.000 2.017 231 L HA -0.082 4.256 4.340 -0.003 0.000 0.208 231 L C 2.508 179.369 176.870 -0.015 0.000 1.073 231 L CA 1.178 56.059 54.840 0.069 0.000 0.745 231 L CB -0.515 41.662 42.059 0.196 0.000 0.894 231 L HN 0.353 8.583 8.230 -0.000 0.000 0.432 232 L N -0.433 120.700 121.223 -0.149 0.000 2.046 232 L HA -0.234 4.104 4.340 -0.003 0.000 0.208 232 L C 2.418 179.204 176.870 -0.140 0.000 1.077 232 L CA 1.109 55.791 54.840 -0.263 0.000 0.747 232 L CB -0.639 41.160 42.059 -0.434 0.000 0.896 232 L HN 0.392 8.622 8.230 -0.000 0.000 0.432 233 N N 0.175 118.811 118.700 -0.107 0.000 2.120 233 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 233 N C 1.862 177.356 175.510 -0.027 0.000 1.024 233 N CA 1.540 54.545 53.050 -0.075 0.000 0.852 233 N CB -0.163 38.292 38.487 -0.053 0.000 1.003 233 N HN 0.311 8.691 8.380 -0.000 0.000 0.424 234 A N 1.084 123.904 122.820 -0.001 0.000 1.930 234 A HA -0.032 4.286 4.320 -0.003 0.000 0.217 234 A C 2.382 179.987 177.584 0.036 0.000 1.175 234 A CA 0.889 52.941 52.037 0.024 0.000 0.627 234 A CB -0.543 18.482 19.000 0.042 0.000 0.815 234 A HN 0.188 8.338 8.150 -0.000 0.000 0.443 235 L N -1.058 120.193 121.223 0.047 0.000 2.095 235 L HA -0.039 4.299 4.340 -0.003 0.000 0.204 235 L C 2.461 179.431 176.870 0.167 0.000 1.080 235 L CA 0.706 55.604 54.840 0.098 0.000 0.759 235 L CB -0.387 41.728 42.059 0.094 0.000 0.914 235 L HN 0.324 8.554 8.230 -0.000 0.000 0.439 236 L N -0.363 120.928 121.223 0.113 0.000 2.131 236 L HA 0.070 4.409 4.340 -0.003 0.000 0.206 236 L C 1.323 178.201 176.870 0.015 0.000 1.087 236 L CA 0.713 55.581 54.840 0.046 0.000 0.767 236 L CB -0.741 41.245 42.059 -0.122 0.000 0.917 236 L HN 0.459 8.689 8.230 -0.000 0.000 0.441 237 G N 1.370 110.169 108.800 -0.001 0.000 2.314 237 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.292 237 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.292 237 G C 0.074 174.969 174.900 -0.008 0.000 1.059 237 G CA -0.207 44.892 45.100 -0.002 0.000 0.982 237 G HN 0.182 8.472 8.290 -0.000 0.000 0.505 238 L N -0.750 120.458 121.223 -0.024 0.000 2.483 238 L HA 0.201 4.539 4.340 -0.003 0.000 0.276 238 L C 1.447 178.314 176.870 -0.006 0.000 1.213 238 L CA 0.038 54.870 54.840 -0.013 0.000 0.843 238 L CB 0.661 42.701 42.059 -0.030 0.000 1.107 238 L HN 0.266 8.496 8.230 -0.000 0.000 0.487 239 Q N 0.733 120.535 119.800 0.003 0.000 2.313 239 Q HA 0.165 4.503 4.340 -0.003 0.000 0.263 239 Q C 0.270 176.272 176.000 0.003 0.000 0.820 239 Q CA 0.405 56.209 55.803 0.002 0.000 0.974 239 Q CB 0.756 29.495 28.738 0.002 0.000 1.156 239 Q HN 0.643 8.913 8.270 -0.000 0.000 0.517 240 N N 0.735 119.441 118.700 0.009 0.000 2.305 240 N HA 0.193 4.931 4.740 -0.003 0.000 0.248 240 N C -0.791 174.730 175.510 0.018 0.000 1.290 240 N CA 0.214 53.270 53.050 0.009 0.000 0.873 240 N CB 1.626 40.116 38.487 0.005 0.000 1.261 240 N HN 0.181 8.561 8.380 -0.000 0.000 0.504 241 E N 0.807 121.024 120.200 0.028 0.000 2.413 241 E HA 0.553 4.901 4.350 -0.003 0.000 0.277 241 E C -0.830 175.793 176.600 0.038 0.000 0.958 241 E CA -0.790 55.641 56.400 0.052 0.000 0.779 241 E CB 2.730 32.496 29.700 0.111 0.000 1.278 241 E HN 0.093 8.453 8.360 -0.000 0.000 0.456 242 I N -1.115 119.481 120.570 0.042 0.000 2.607 242 I HA 0.431 4.599 4.170 -0.003 0.000 0.290 242 I C -0.619 175.503 176.117 0.008 0.000 1.129 242 I CA -1.205 60.097 61.300 0.003 0.000 1.042 242 I CB 1.151 39.148 38.000 -0.005 0.000 1.242 242 I HN 0.351 8.561 8.210 -0.000 0.000 0.421 243 L N 3.611 124.795 121.223 -0.065 0.000 2.483 243 L HA 0.142 4.480 4.340 -0.003 0.000 0.275 243 L C 0.889 177.745 176.870 -0.023 0.000 1.220 243 L CA 0.083 54.874 54.840 -0.081 0.000 0.833 243 L CB 0.264 42.214 42.059 -0.182 0.000 1.102 243 L HN 0.669 8.899 8.230 -0.000 0.000 0.490 244 T N 2.294 116.848 114.554 0.000 0.000 4.578 244 T HA 0.034 4.382 4.350 -0.003 0.000 0.236 244 T C 0.572 175.266 174.700 -0.011 0.000 1.038 244 T CA -0.311 61.788 62.100 -0.001 0.000 1.067 244 T CB -1.290 67.581 68.868 0.005 0.000 1.390 244 T HN 0.428 8.668 8.240 -0.000 0.000 1.076 260 A N 0.595 123.387 122.820 -0.047 0.000 2.238 260 A HA 0.792 5.110 4.320 -0.003 0.000 0.210 260 A C 1.382 178.946 177.584 -0.034 0.000 1.179 260 A CA 0.572 52.575 52.037 -0.056 0.000 0.827 260 A CB -0.177 18.801 19.000 -0.038 0.000 0.856 260 A HN 0.984 9.134 8.150 -0.000 0.000 0.488 261 A N 0.595 123.403 122.820 -0.020 0.000 2.548 261 A HA 0.423 4.741 4.320 -0.003 0.000 0.247 261 A C 0.544 178.107 177.584 -0.034 0.000 1.067 261 A CA 0.266 52.299 52.037 -0.007 0.000 0.757 261 A CB -0.154 18.842 19.000 -0.006 0.000 0.996 261 A HN 0.599 8.749 8.150 -0.000 0.000 0.504 262 R N 2.031 122.512 120.500 -0.033 0.000 2.673 262 R HA 0.584 4.922 4.340 -0.003 0.000 0.281 262 R C -1.433 174.733 176.300 -0.223 0.000 0.991 262 R CA -0.834 55.163 56.100 -0.172 0.000 0.896 262 R CB 1.203 31.339 30.300 -0.274 0.000 1.201 262 R HN 0.829 9.099 8.270 -0.000 0.000 0.457 263 L N 1.879 122.893 121.223 -0.350 0.000 2.322 263 L HA 0.606 4.944 4.340 -0.003 0.000 0.279 263 L C -1.798 174.721 176.870 -0.586 0.000 1.036 263 L CA -0.533 54.126 54.840 -0.302 0.000 0.807 263 L CB 1.006 42.934 42.059 -0.218 0.000 1.226 263 L HN 0.521 8.751 8.230 -0.000 0.000 0.433 264 Y N 1.579 121.620 120.300 -0.432 0.000 2.562 264 Y HA 0.623 5.171 4.550 -0.003 0.000 0.343 264 Y C -0.117 175.398 175.900 -0.642 0.000 1.025 264 Y CA -0.730 57.060 58.100 -0.516 0.000 1.082 264 Y CB 1.517 39.728 38.460 -0.416 0.000 1.264 264 Y HN 0.544 8.824 8.280 -0.000 0.000 0.478 265 H N 1.791 120.793 119.070 -0.113 0.000 2.488 265 H HA 0.303 4.857 4.556 -0.003 0.000 0.322 265 H C -0.950 174.289 175.328 -0.149 0.000 1.078 265 H CA -0.900 55.070 56.048 -0.130 0.000 1.260 265 H CB 0.787 30.522 29.762 -0.045 0.000 1.425 265 H HN 0.521 8.801 8.280 -0.000 0.000 0.471 266 F N 3.128 123.155 119.950 0.129 0.000 2.418 266 F HA 0.097 4.622 4.527 -0.003 0.000 0.341 266 F C -0.916 174.884 175.800 -0.000 0.000 1.120 266 F CA -1.699 56.329 58.000 0.047 0.000 1.232 266 F CB 0.526 39.560 39.000 0.057 0.000 1.175 266 F HN 0.438 8.738 8.300 -0.000 0.000 0.569 267 P HA -0.193 4.227 4.420 -0.000 0.000 0.216 267 P C 0.560 177.704 177.300 -0.260 0.000 1.150 267 P CA 1.626 64.624 63.100 -0.170 0.000 0.843 267 P CB 0.081 31.562 31.700 -0.366 0.000 0.787 268 H N -1.179 117.970 119.070 0.131 0.000 2.524 268 H HA 0.499 5.053 4.556 -0.003 0.000 0.299 268 H C 1.054 176.441 175.328 0.098 0.000 1.074 268 H CA 0.546 56.645 56.048 0.086 0.000 1.115 268 H CB -0.290 29.500 29.762 0.047 0.000 1.522 268 H HN 0.097 8.377 8.280 -0.000 0.000 0.543 269 G N -0.393 108.530 108.800 0.205 0.000 2.617 269 G HA2 0.288 4.246 3.960 -0.003 0.000 0.686 269 G HA3 0.288 4.246 3.960 -0.003 0.000 0.686 269 G C -0.007 175.055 174.900 0.269 0.000 1.214 269 G CA -0.334 44.880 45.100 0.190 0.000 0.796 269 G HN 0.783 9.073 8.290 -0.000 0.000 0.654 270 G N 0.594 109.542 108.800 0.247 0.000 2.733 270 G HA2 0.416 4.374 3.960 -0.003 0.000 0.686 270 G HA3 0.416 4.374 3.960 -0.003 0.000 0.686 270 G C -0.612 174.510 174.900 0.371 0.000 1.373 270 G CA 0.399 45.683 45.100 0.306 0.000 0.838 270 G HN 1.424 9.714 8.290 -0.000 0.000 0.588 271 D N -1.359 119.199 120.400 0.264 0.000 2.533 271 D HA 0.748 5.386 4.640 -0.003 0.000 0.247 271 D C -0.478 175.839 176.300 0.027 0.000 1.056 271 D CA -0.197 53.830 54.000 0.045 0.000 1.054 271 D CB 2.230 43.042 40.800 0.020 0.000 1.400 271 D HN 1.050 9.420 8.370 -0.000 0.000 0.533 272 V N 0.549 120.357 119.914 -0.178 0.000 2.777 272 V HA 0.456 4.574 4.120 -0.003 0.000 0.306 272 V C -1.415 174.668 176.094 -0.019 0.000 1.112 272 V CA -0.580 61.684 62.300 -0.061 0.000 0.917 272 V CB 1.700 33.405 31.823 -0.196 0.000 1.018 272 V HN 0.456 8.646 8.190 -0.000 0.000 0.426 273 I N 5.305 125.893 120.570 0.031 0.000 2.336 273 I HA 0.561 4.729 4.170 -0.003 0.000 0.292 273 I C -0.643 175.511 176.117 0.062 0.000 0.991 273 I CA -0.109 61.214 61.300 0.038 0.000 1.227 273 I CB 1.732 39.736 38.000 0.007 0.000 1.366 273 I HN 0.722 8.932 8.210 -0.000 0.000 0.466 274 D N 4.053 124.519 120.400 0.110 0.000 2.581 274 D HA 0.780 5.418 4.640 -0.003 0.000 0.232 274 D C -1.230 175.117 176.300 0.077 0.000 1.143 274 D CA 0.019 54.060 54.000 0.068 0.000 0.881 274 D CB 1.943 42.722 40.800 -0.035 0.000 1.500 274 D HN 0.650 9.020 8.370 -0.000 0.000 0.458 275 S N 0.659 116.385 115.700 0.043 0.000 2.719 275 S HA 0.212 4.680 4.470 -0.003 0.000 0.272 275 S C -2.615 172.007 174.600 0.037 0.000 0.964 275 S CA -0.904 57.317 58.200 0.036 0.000 0.944 275 S CB 0.455 63.673 63.200 0.030 0.000 1.199 275 S HN 0.242 8.552 8.310 -0.000 0.000 0.461 276 P HA 0.045 4.465 4.420 -0.000 0.000 0.214 276 P C 1.822 179.158 177.300 0.062 0.000 1.163 276 P CA 2.274 65.398 63.100 0.041 0.000 0.883 276 P CB -0.520 31.197 31.700 0.028 0.000 0.788 277 G N -0.341 108.494 108.800 0.058 0.000 2.446 277 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.217 277 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.217 277 G C 1.663 176.631 174.900 0.115 0.000 1.168 277 G CA 0.958 46.105 45.100 0.078 0.000 0.771 277 G HN 0.141 8.431 8.290 -0.000 0.000 0.551 278 V N 0.942 120.913 119.914 0.095 0.000 2.282 278 V HA -0.246 3.872 4.120 -0.003 0.000 0.249 278 V C 2.951 179.142 176.094 0.161 0.000 1.057 278 V CA 2.315 64.679 62.300 0.107 0.000 1.032 278 V CB -0.506 31.354 31.823 0.062 0.000 0.645 278 V HN 0.366 8.556 8.190 -0.000 0.000 0.447 279 R N -0.083 120.498 120.500 0.135 0.000 2.148 279 R HA -0.109 4.229 4.340 -0.003 0.000 0.227 279 R C 1.870 178.286 176.300 0.194 0.000 1.103 279 R CA 1.151 57.340 56.100 0.148 0.000 0.983 279 R CB -0.250 30.113 30.300 0.105 0.000 0.874 279 R HN 0.616 8.886 8.270 -0.000 0.000 0.451 280 E N 0.837 121.147 120.200 0.184 0.000 2.494 280 E HA -0.049 4.299 4.350 -0.003 0.000 0.193 280 E C -0.314 176.435 176.600 0.248 0.000 1.074 280 E CA -0.372 56.137 56.400 0.182 0.000 0.867 280 E CB -0.161 29.613 29.700 0.122 0.000 0.924 280 E HN 0.242 8.602 8.360 -0.000 0.000 0.502 281 F N 1.852 121.899 119.950 0.162 0.000 2.332 281 F HA -0.117 4.408 4.527 -0.003 0.000 0.390 281 F C 0.714 176.679 175.800 0.277 0.000 1.004 281 F CA -0.273 57.848 58.000 0.202 0.000 0.990 281 F CB 0.252 39.367 39.000 0.191 0.000 0.867 281 F HN -0.117 8.183 8.300 -0.000 0.000 0.519 282 G N 5.809 114.553 108.800 -0.093 0.000 2.552 282 G HA2 0.509 4.467 3.960 -0.003 0.000 0.324 282 G HA3 0.509 4.467 3.960 -0.003 0.000 0.324 282 G C -1.681 173.053 174.900 -0.277 0.000 1.217 282 G CA -1.095 43.867 45.100 -0.229 0.000 0.989 282 G HN 0.590 8.880 8.290 -0.000 0.000 0.490 283 L N 1.086 122.148 121.223 -0.269 0.000 2.264 283 L HA 0.533 4.871 4.340 -0.003 0.000 0.289 283 L C 0.202 177.028 176.870 -0.073 0.000 1.044 283 L CA -1.163 53.508 54.840 -0.282 0.000 0.807 283 L CB 0.349 42.150 42.059 -0.430 0.000 1.192 283 L HN 0.706 8.936 8.230 -0.000 0.000 0.425 284 W N 2.715 123.984 121.300 -0.051 0.000 1.835 284 W HA 0.353 5.011 4.660 -0.003 0.000 0.458 284 W C -0.142 176.401 176.519 0.041 0.000 1.983 284 W CA -0.594 56.760 57.345 0.015 0.000 2.219 284 W CB -0.293 29.197 29.460 0.050 0.000 1.539 284 W HN 0.623 8.803 8.180 -0.000 0.000 0.760 285 H N 0.933 120.090 119.070 0.144 0.000 2.878 285 H HA 0.354 4.908 4.556 -0.003 0.000 0.290 285 H C -0.780 174.503 175.328 -0.075 0.000 1.065 285 H CA -0.059 55.994 56.048 0.008 0.000 1.477 285 H CB 0.035 29.849 29.762 0.087 0.000 1.484 285 H HN 0.397 8.677 8.280 -0.000 0.000 0.504 286 L N 4.277 125.093 121.223 -0.679 0.000 2.342 286 L HA 0.352 4.690 4.340 -0.003 0.000 0.271 286 L C 0.160 176.736 176.870 -0.490 0.000 1.008 286 L CA -1.233 53.300 54.840 -0.512 0.000 0.818 286 L CB 1.809 43.586 42.059 -0.471 0.000 1.296 286 L HN 0.573 8.803 8.230 -0.000 0.000 0.427 287 E N 1.907 121.966 120.200 -0.236 0.000 2.373 287 E HA 0.155 4.503 4.350 -0.003 0.000 0.263 287 E C -1.753 174.804 176.600 -0.071 0.000 1.073 287 E CA -1.790 54.535 56.400 -0.124 0.000 0.894 287 E CB 0.886 30.576 29.700 -0.016 0.000 1.008 287 E HN 0.296 8.656 8.360 -0.000 0.000 0.420 288 P HA -0.207 4.213 4.420 -0.000 0.000 0.215 288 P C 0.730 178.093 177.300 0.104 0.000 1.163 288 P CA 1.586 64.699 63.100 0.022 0.000 0.894 288 P CB 0.311 32.031 31.700 0.034 0.000 0.791 289 E N -0.618 119.641 120.200 0.100 0.000 2.118 289 E HA -0.221 4.127 4.350 -0.003 0.000 0.195 289 E C 2.148 178.825 176.600 0.129 0.000 0.992 289 E CA 1.233 57.711 56.400 0.131 0.000 0.804 289 E CB -0.716 29.042 29.700 0.096 0.000 0.741 289 E HN 0.424 8.784 8.360 -0.000 0.000 0.458 290 Q N -0.280 119.569 119.800 0.082 0.000 2.119 290 Q HA -0.116 4.222 4.340 -0.003 0.000 0.201 290 Q C 1.973 178.032 176.000 0.099 0.000 0.972 290 Q CA 0.782 56.626 55.803 0.069 0.000 0.847 290 Q CB 0.015 28.759 28.738 0.011 0.000 0.903 290 Q HN 0.295 8.565 8.270 -0.000 0.000 0.433 291 I N 0.444 121.082 120.570 0.115 0.000 2.202 291 I HA -0.204 3.964 4.170 -0.003 0.000 0.242 291 I C 2.141 178.531 176.117 0.455 0.000 1.091 291 I CA 1.452 62.881 61.300 0.215 0.000 1.368 291 I CB -1.529 36.547 38.000 0.127 0.000 1.058 291 I HN 0.193 8.403 8.210 -0.000 0.000 0.410 292 T N 0.925 115.759 114.554 0.467 0.000 2.684 292 T HA -0.183 4.165 4.350 -0.003 0.000 0.267 292 T C 1.834 176.734 174.700 0.332 0.000 1.036 292 T CA 1.156 63.528 62.100 0.453 0.000 1.148 292 T CB -0.190 68.918 68.868 0.399 0.000 0.863 292 T HN 0.294 8.534 8.240 -0.000 0.000 0.436 293 Q N 0.531 120.485 119.800 0.257 0.000 2.291 293 Q HA 0.026 4.364 4.340 -0.003 0.000 0.206 293 Q C 2.536 178.724 176.000 0.312 0.000 0.976 293 Q CA 1.049 56.993 55.803 0.235 0.000 0.875 293 Q CB -0.780 28.020 28.738 0.102 0.000 0.927 293 Q HN 0.628 8.898 8.270 -0.000 0.000 0.450 294 G N -0.817 108.122 108.800 0.232 0.000 2.625 294 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.214 294 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.214 294 G C -0.061 174.767 174.900 -0.119 0.000 1.132 294 G CA 0.013 45.168 45.100 0.091 0.000 0.782 294 G HN 0.126 8.416 8.290 -0.000 0.000 0.538 295 F N 0.844 120.681 119.950 -0.187 0.000 2.359 295 F HA 0.271 4.797 4.527 -0.003 0.000 0.370 295 F C 1.337 176.887 175.800 -0.416 0.000 1.077 295 F CA -1.397 56.305 58.000 -0.497 0.000 1.136 295 F CB 1.379 39.515 39.000 -1.440 0.000 1.387 295 F HN -0.055 8.245 8.300 -0.000 0.000 0.468 296 V N 0.142 119.894 119.914 -0.271 0.000 2.370 296 V HA -0.261 3.857 4.120 -0.003 0.000 0.252 296 V C 1.989 177.782 176.094 -0.503 0.000 1.068 296 V CA 2.295 64.202 62.300 -0.655 0.000 1.061 296 V CB -0.466 31.085 31.823 -0.453 0.000 0.656 296 V HN 0.737 8.927 8.190 -0.000 0.000 0.455 297 E N -0.437 119.663 120.200 -0.166 0.000 2.478 297 E HA -0.146 4.202 4.350 -0.003 0.000 0.198 297 E C 1.789 178.619 176.600 0.383 0.000 1.046 297 E CA 0.907 57.345 56.400 0.062 0.000 0.870 297 E CB -0.450 29.323 29.700 0.121 0.000 0.818 297 E HN 0.585 8.945 8.360 -0.000 0.000 0.527 298 F N 1.793 121.801 119.950 0.097 0.000 2.335 298 F HA 0.097 4.622 4.527 -0.003 0.000 0.296 298 F C 2.123 178.072 175.800 0.248 0.000 1.091 298 F CA 0.164 58.264 58.000 0.167 0.000 1.399 298 F CB -1.081 37.929 39.000 0.018 0.000 1.067 298 F HN 0.160 8.460 8.300 -0.000 0.000 0.520 299 H N 0.015 119.232 119.070 0.245 0.000 2.272 299 H HA -0.250 4.304 4.556 -0.003 0.000 0.289 299 H C 1.499 176.869 175.328 0.070 0.000 1.100 299 H CA 1.390 57.513 56.048 0.125 0.000 1.209 299 H CB -0.242 29.563 29.762 0.071 0.000 1.348 299 H HN 0.109 8.389 8.280 -0.000 0.000 0.481 300 D N 0.025 120.489 120.400 0.107 0.000 2.309 300 D HA -0.114 4.524 4.640 -0.003 0.000 0.212 300 D C 1.393 177.616 176.300 -0.130 0.000 0.968 300 D CA 1.048 54.992 54.000 -0.092 0.000 0.882 300 D CB -0.196 40.422 40.800 -0.303 0.000 0.918 300 D HN 0.510 8.880 8.370 -0.000 0.000 0.503 301 Y N 0.151 120.533 120.300 0.137 0.000 2.510 301 Y HA 0.204 4.752 4.550 -0.003 0.000 0.273 301 Y C 1.089 177.082 175.900 0.155 0.000 1.119 301 Y CA -0.233 57.941 58.100 0.124 0.000 1.286 301 Y CB 0.003 38.444 38.460 -0.033 0.000 1.061 301 Y HN -0.159 8.121 8.280 -0.000 0.000 0.542 302 L N 0.230 121.583 121.223 0.216 0.000 2.490 302 L HA 0.168 4.506 4.340 -0.003 0.000 0.274 302 L C 1.453 178.307 176.870 -0.026 0.000 1.201 302 L CA 1.030 55.931 54.840 0.102 0.000 0.869 302 L CB 0.015 42.126 42.059 0.087 0.000 1.123 302 L HN 0.545 8.775 8.230 -0.000 0.000 0.484 303 G N 1.550 110.314 108.800 -0.060 0.000 2.176 303 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.253 303 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.253 303 G C 0.582 175.227 174.900 -0.425 0.000 0.979 303 G CA -0.092 44.866 45.100 -0.236 0.000 0.641 303 G HN 0.798 9.088 8.290 -0.000 0.000 0.530 304 H N -0.716 118.398 119.070 0.073 0.000 2.674 304 H HA 0.341 4.895 4.556 -0.003 0.000 0.274 304 H C 0.966 176.326 175.328 0.055 0.000 1.121 304 H CA 0.112 56.193 56.048 0.056 0.000 1.132 304 H CB 0.058 29.858 29.762 0.063 0.000 1.606 304 H HN 0.414 8.694 8.280 -0.000 0.000 0.558 305 C N 1.301 120.675 119.300 0.123 0.000 2.459 305 C HA 0.092 4.550 4.460 -0.003 0.000 0.374 305 C C 2.364 177.371 174.990 0.029 0.000 1.241 305 C CA -0.494 58.584 59.018 0.101 0.000 2.352 305 C CB 2.126 29.966 27.740 0.166 0.000 2.490 305 C HN 0.535 8.765 8.230 -0.000 0.000 0.583 306 K N 0.652 121.027 120.400 -0.042 0.000 2.034 306 K HA -0.171 4.147 4.320 -0.003 0.000 0.214 306 K C -0.327 176.100 176.600 -0.287 0.000 1.051 306 K CA 1.853 58.012 56.287 -0.213 0.000 0.931 306 K CB -0.162 32.122 32.500 -0.359 0.000 0.715 306 K HN 0.695 8.945 8.250 -0.000 0.000 0.446 307 Y N 0.107 120.418 120.300 0.018 0.000 2.323 307 Y HA 0.181 4.729 4.550 -0.003 0.000 0.331 307 Y C 1.014 176.918 175.900 0.007 0.000 1.092 307 Y CA -0.782 57.322 58.100 0.006 0.000 1.150 307 Y CB 1.544 40.000 38.460 -0.006 0.000 1.200 307 Y HN -0.053 8.227 8.280 -0.000 0.000 0.472 308 R N 1.729 122.326 120.500 0.161 0.000 2.120 308 R HA -0.122 4.216 4.340 -0.003 0.000 0.234 308 R C 0.477 176.827 176.300 0.082 0.000 1.123 308 R CA 1.914 58.069 56.100 0.091 0.000 0.975 308 R CB -0.352 29.987 30.300 0.065 0.000 0.866 308 R HN 0.806 9.076 8.270 -0.000 0.000 0.446 309 D N -1.321 119.128 120.400 0.083 0.000 2.587 309 D HA -0.003 4.635 4.640 -0.003 0.000 0.233 309 D C -0.352 175.929 176.300 -0.032 0.000 1.213 309 D CA -0.410 53.600 54.000 0.017 0.000 0.827 309 D CB -1.251 39.547 40.800 -0.005 0.000 1.006 309 D HN 0.100 8.470 8.370 -0.000 0.000 0.490 310 C N 1.581 120.879 119.300 -0.003 0.000 2.596 310 C HA 0.058 4.516 4.460 -0.003 0.000 0.414 310 C C 1.508 176.235 174.990 -0.439 0.000 1.396 310 C CA -0.188 58.782 59.018 -0.080 0.000 1.698 310 C CB -0.175 27.594 27.740 0.048 0.000 2.572 310 C HN 0.197 8.427 8.230 -0.000 0.000 0.604 311 K N 4.331 124.553 120.400 -0.297 0.000 2.444 311 K HA 0.069 4.387 4.320 -0.003 0.000 0.193 311 K C 0.817 177.326 176.600 -0.152 0.000 1.024 311 K CA 0.274 56.392 56.287 -0.281 0.000 1.077 311 K CB -0.378 32.078 32.500 -0.073 0.000 0.833 311 K HN 0.946 9.196 8.250 -0.000 0.000 0.517 312 H N -0.129 119.059 119.070 0.196 0.000 2.791 312 H HA -0.203 4.351 4.556 -0.003 0.000 0.302 312 H C 0.416 176.024 175.328 0.466 0.000 1.198 312 H CA 1.200 57.404 56.048 0.260 0.000 1.145 312 H CB -1.572 28.305 29.762 0.192 0.000 1.385 312 H HN 0.385 8.665 8.280 -0.000 0.000 0.409 313 D N -0.298 120.316 120.400 0.356 0.000 3.012 313 D HA 0.468 5.106 4.640 -0.003 0.000 0.230 313 D C 1.833 178.223 176.300 0.151 0.000 1.477 313 D CA 1.189 55.301 54.000 0.187 0.000 1.329 313 D CB -0.182 40.597 40.800 -0.036 0.000 0.951 313 D HN 0.158 8.528 8.370 -0.000 0.000 0.224 314 A N -0.277 122.575 122.820 0.053 0.000 2.348 314 A HA 0.283 4.601 4.320 -0.003 0.000 0.224 314 A C -0.314 177.307 177.584 0.061 0.000 1.227 314 A CA -0.147 51.918 52.037 0.047 0.000 0.885 314 A CB -0.352 18.649 19.000 0.003 0.000 0.933 314 A HN 0.338 8.488 8.150 -0.000 0.000 0.506 315 D N 2.138 122.584 120.400 0.077 0.000 2.583 315 D HA 0.261 4.899 4.640 -0.003 0.000 0.232 315 D C -2.470 173.914 176.300 0.140 0.000 1.128 315 D CA -0.049 54.013 54.000 0.104 0.000 0.859 315 D CB 0.030 40.900 40.800 0.117 0.000 1.169 315 D HN 0.177 8.547 8.370 -0.000 0.000 0.481 316 P HA 0.150 4.570 4.420 -0.000 0.000 0.268 316 P C 0.818 178.173 177.300 0.091 0.000 1.204 316 P CA 0.158 63.343 63.100 0.141 0.000 0.768 316 P CB 0.754 32.573 31.700 0.198 0.000 0.842 317 G N 2.100 110.915 108.800 0.023 0.000 2.225 317 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.267 317 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.267 317 G C 0.383 175.289 174.900 0.010 0.000 1.024 317 G CA -0.087 45.005 45.100 -0.014 0.000 0.784 317 G HN 0.814 9.104 8.290 -0.000 0.000 0.507 318 C N 0.572 119.894 119.300 0.037 0.000 2.627 318 C HA 0.641 5.099 4.460 -0.003 0.000 0.404 318 C C 2.162 177.133 174.990 -0.032 0.000 1.340 318 C CA 0.463 59.516 59.018 0.058 0.000 1.758 318 C CB -0.145 27.658 27.740 0.105 0.000 2.501 318 C HN 1.232 9.462 8.230 -0.000 0.000 0.588 319 A N 5.446 128.258 122.820 -0.013 0.000 1.969 319 A HA -0.040 4.279 4.320 -0.003 0.000 0.218 319 A C 1.967 179.349 177.584 -0.337 0.000 1.169 319 A CA 1.576 53.569 52.037 -0.075 0.000 0.635 319 A CB -0.390 18.672 19.000 0.103 0.000 0.810 319 A HN 0.923 9.073 8.150 -0.000 0.000 0.445 320 I N -1.227 119.112 120.570 -0.386 0.000 2.202 320 I HA -0.217 3.951 4.170 -0.003 0.000 0.242 320 I C 2.724 178.413 176.117 -0.713 0.000 1.091 320 I CA 1.554 62.434 61.300 -0.700 0.000 1.368 320 I CB -0.353 37.155 38.000 -0.820 0.000 1.058 320 I HN 0.363 8.573 8.210 -0.000 0.000 0.410 321 R N 1.239 121.409 120.500 -0.550 0.000 2.081 321 R HA -0.196 4.142 4.340 -0.003 0.000 0.235 321 R C 2.128 178.129 176.300 -0.500 0.000 1.131 321 R CA 1.684 57.365 56.100 -0.698 0.000 0.960 321 R CB -0.095 30.008 30.300 -0.328 0.000 0.856 321 R HN 0.380 8.650 8.270 -0.000 0.000 0.436 322 E N -0.250 119.747 120.200 -0.339 0.000 2.110 322 E HA -0.186 4.162 4.350 -0.003 0.000 0.193 322 E C 1.883 178.307 176.600 -0.293 0.000 0.988 322 E CA 1.125 57.373 56.400 -0.252 0.000 0.804 322 E CB -0.090 29.508 29.700 -0.170 0.000 0.745 322 E HN 0.468 8.828 8.360 -0.000 0.000 0.458 323 A N 0.775 123.339 122.820 -0.426 0.000 1.972 323 A HA -0.126 4.192 4.320 -0.003 0.000 0.219 323 A C 2.422 179.802 177.584 -0.341 0.000 1.169 323 A CA 0.969 52.744 52.037 -0.437 0.000 0.635 323 A CB -0.381 18.107 19.000 -0.854 0.000 0.810 323 A HN 0.110 8.260 8.150 -0.000 0.000 0.446 324 V N 0.254 119.915 119.914 -0.422 0.000 2.379 324 V HA -0.220 3.898 4.120 -0.003 0.000 0.245 324 V C 2.249 178.209 176.094 -0.225 0.000 1.044 324 V CA 2.068 64.164 62.300 -0.340 0.000 1.036 324 V CB -0.779 30.707 31.823 -0.562 0.000 0.664 324 V HN 0.659 8.849 8.190 -0.000 0.000 0.453 325 E N 0.560 120.621 120.200 -0.232 0.000 2.268 325 E HA -0.153 4.195 4.350 -0.003 0.000 0.195 325 E C 1.598 178.133 176.600 -0.109 0.000 0.995 325 E CA 1.010 57.322 56.400 -0.146 0.000 0.836 325 E CB -0.168 29.450 29.700 -0.138 0.000 0.763 325 E HN 0.612 8.972 8.360 -0.000 0.000 0.491 326 N N -0.371 118.257 118.700 -0.120 0.000 2.392 326 N HA 0.014 4.752 4.740 -0.003 0.000 0.177 326 N C 1.252 176.721 175.510 -0.069 0.000 1.066 326 N CA 1.008 54.008 53.050 -0.084 0.000 0.895 326 N CB 1.117 39.556 38.487 -0.080 0.000 0.988 326 N HN 0.297 8.677 8.380 -0.000 0.000 0.457 327 G N -0.111 108.640 108.800 -0.081 0.000 2.179 327 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.220 327 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.220 327 G C 1.011 175.881 174.900 -0.049 0.000 0.990 327 G CA 0.432 45.497 45.100 -0.059 0.000 0.646 327 G HN 0.518 8.808 8.290 -0.000 0.000 0.517 328 A N -0.935 121.851 122.820 -0.057 0.000 2.014 328 A HA 0.584 4.902 4.320 -0.003 0.000 0.218 328 A C 0.884 178.463 177.584 -0.008 0.000 1.163 328 A CA 1.465 53.492 52.037 -0.016 0.000 0.652 328 A CB 0.058 19.069 19.000 0.019 0.000 0.808 328 A HN 0.749 8.899 8.150 -0.000 0.000 0.449 329 I N -0.750 119.786 120.570 -0.057 0.000 2.509 329 I HA 0.518 4.686 4.170 -0.003 0.000 0.293 329 I C 0.409 176.521 176.117 -0.008 0.000 1.020 329 I CA -0.986 60.308 61.300 -0.009 0.000 1.088 329 I CB 1.639 39.615 38.000 -0.039 0.000 1.267 329 I HN 0.141 8.351 8.210 -0.000 0.000 0.430 330 A N 5.019 127.855 122.820 0.026 0.000 2.477 330 A HA 0.209 4.527 4.320 -0.003 0.000 0.246 330 A C 1.143 178.779 177.584 0.086 0.000 1.078 330 A CA -0.013 52.037 52.037 0.022 0.000 0.770 330 A CB -0.018 18.972 19.000 -0.018 0.000 1.011 330 A HN 0.879 9.029 8.150 -0.000 0.000 0.494 331 E N 1.057 121.302 120.200 0.074 0.000 2.085 331 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 331 E C 2.051 178.767 176.600 0.194 0.000 0.994 331 E CA 1.911 58.392 56.400 0.134 0.000 0.801 331 E CB -0.284 29.472 29.700 0.093 0.000 0.743 331 E HN 0.987 9.347 8.360 -0.000 0.000 0.453 332 T N -0.334 114.306 114.554 0.144 0.000 2.788 332 T HA -0.102 4.246 4.350 -0.003 0.000 0.268 332 T C 1.878 176.706 174.700 0.214 0.000 1.044 332 T CA 0.542 62.737 62.100 0.159 0.000 1.139 332 T CB -0.068 68.878 68.868 0.130 0.000 0.867 332 T HN -0.033 8.207 8.240 -0.000 0.000 0.454 333 R N 0.109 120.748 120.500 0.232 0.000 2.073 333 R HA 0.066 4.404 4.340 -0.003 0.000 0.234 333 R C 2.138 178.638 176.300 0.334 0.000 1.134 333 R CA 1.157 57.467 56.100 0.350 0.000 0.952 333 R CB -1.187 29.299 30.300 0.310 0.000 0.850 333 R HN 0.510 8.780 8.270 -0.000 0.000 0.433 334 F N 2.147 122.193 119.950 0.160 0.000 2.113 334 F HA -0.169 4.356 4.527 -0.003 0.000 0.297 334 F C 2.514 178.415 175.800 0.168 0.000 1.103 334 F CA 1.801 59.883 58.000 0.138 0.000 1.248 334 F CB -0.364 38.692 39.000 0.093 0.000 0.999 334 F HN 0.110 8.410 8.300 -0.000 0.000 0.475 335 E N -0.031 120.291 120.200 0.204 0.000 2.058 335 E HA -0.261 4.087 4.350 -0.003 0.000 0.194 335 E C 1.923 178.557 176.600 0.056 0.000 0.997 335 E CA 1.682 58.147 56.400 0.108 0.000 0.801 335 E CB -0.269 29.520 29.700 0.149 0.000 0.746 335 E HN 0.359 8.719 8.360 -0.000 0.000 0.450 336 N N -0.199 118.573 118.700 0.120 0.000 2.244 336 N HA -0.174 4.564 4.740 -0.003 0.000 0.183 336 N C 1.612 177.183 175.510 0.101 0.000 1.016 336 N CA 1.092 54.225 53.050 0.140 0.000 0.866 336 N CB -0.551 38.079 38.487 0.238 0.000 0.980 336 N HN 0.349 8.729 8.380 -0.000 0.000 0.430 337 Y N 1.863 122.030 120.300 -0.222 0.000 2.128 337 Y HA -0.241 4.307 4.550 -0.003 0.000 0.284 337 Y C 2.337 177.987 175.900 -0.415 0.000 1.154 337 Y CA 1.801 59.524 58.100 -0.627 0.000 1.149 337 Y CB -0.569 37.174 38.460 -1.196 0.000 0.976 337 Y HN 0.198 8.478 8.280 -0.000 0.000 0.505 338 H N 0.088 118.890 119.070 -0.447 0.000 2.389 338 H HA -0.019 4.535 4.556 -0.003 0.000 0.299 338 H C 2.392 177.546 175.328 -0.290 0.000 1.081 338 H CA 1.673 57.436 56.048 -0.474 0.000 1.345 338 H CB -0.122 29.402 29.762 -0.396 0.000 1.393 338 H HN 0.393 8.673 8.280 -0.000 0.000 0.520 339 R N 0.156 120.615 120.500 -0.069 0.000 2.081 339 R HA -0.077 4.261 4.340 -0.003 0.000 0.235 339 R C 2.514 178.768 176.300 -0.077 0.000 1.131 339 R CA 1.206 57.276 56.100 -0.049 0.000 0.960 339 R CB -0.158 30.136 30.300 -0.010 0.000 0.856 339 R HN 0.252 8.522 8.270 -0.000 0.000 0.436 340 I N 0.352 120.870 120.570 -0.088 0.000 2.252 340 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 340 I C 2.114 178.144 176.117 -0.146 0.000 1.102 340 I CA 0.733 61.979 61.300 -0.090 0.000 1.385 340 I CB -0.229 37.761 38.000 -0.016 0.000 1.064 340 I HN 0.110 8.320 8.210 -0.000 0.000 0.414 341 L N 0.706 121.781 121.223 -0.246 0.000 2.013 341 L HA -0.237 4.101 4.340 -0.003 0.000 0.212 341 L C 2.565 179.351 176.870 -0.140 0.000 1.073 341 L CA 1.916 56.604 54.840 -0.254 0.000 0.753 341 L CB -0.939 40.871 42.059 -0.414 0.000 0.890 341 L HN 0.215 8.445 8.230 -0.000 0.000 0.432 342 E N -0.665 119.465 120.200 -0.115 0.000 2.077 342 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 342 E C 2.228 178.798 176.600 -0.050 0.000 0.989 342 E CA 1.401 57.759 56.400 -0.071 0.000 0.800 342 E CB -0.378 29.285 29.700 -0.062 0.000 0.746 342 E HN 0.639 8.999 8.360 -0.000 0.000 0.452 343 S N -0.401 115.266 115.700 -0.056 0.000 2.603 343 S HA -0.015 4.453 4.470 -0.003 0.000 0.229 343 S C 1.690 176.278 174.600 -0.020 0.000 0.972 343 S CA 0.420 58.596 58.200 -0.040 0.000 0.935 343 S CB 0.021 63.190 63.200 -0.052 0.000 0.769 343 S HN 0.012 8.322 8.310 -0.000 0.000 0.536 344 M N 1.456 121.045 119.600 -0.019 0.000 2.369 344 M HA 0.547 5.025 4.480 -0.003 0.000 0.254 344 M C 1.061 177.442 176.300 0.134 0.000 1.136 344 M CA 1.062 56.388 55.300 0.044 0.000 1.190 344 M CB -1.003 31.558 32.600 -0.066 0.000 1.289 344 M HN 0.533 8.823 8.290 -0.000 0.000 0.468 345 A N 0.000 122.867 122.820 0.079 0.000 2.254 345 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 345 A CA 0.000 52.082 52.037 0.075 0.000 0.836 345 A CB 0.000 19.094 19.000 0.156 0.000 0.831 345 A HN 0.000 8.150 8.150 -0.000 0.000 0.486