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 1ixg_1_A DATA FIRST_RESID 1 DATA SEQUENCE EASLTGAGAT FPAPVYAKWA DTYQKETGNK VNYQGIGSSG GVKQIIANTV DATA SEQUENCE DFGASDAPLS DEKLAQEGLF QFPTVIGGVV LAVNIPGLKS GELVLDGKTL DATA SEQUENCE GDIYLGKIKK WDDEAIAKLN PGLKLPSQNI AVVRRADGSG DSFVFTSYLA DATA SEQUENCE KVNEEWKNNV GTGSTVKWPI GLGGKGNDGI AAFVQRLPGA IGYVEYAYAK DATA SEQUENCE QNNLAYTKLI SADGKPVSPT EENFANAAKG ADWSKTFAQD LTNQKGEDAW DATA SEQUENCE PITSTTFILI HKDQKKPEQG TEVLKFFDWA YKTGAKQAND LDYASLPDSV DATA SEQUENCE VEQVRAAWKT NIKDSSGKPL Y VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 4.282 4.350 -0.114 0.000 0.291 1 E C 0.000 176.563 176.600 -0.061 0.000 1.382 1 E CA 0.000 56.350 56.400 -0.084 0.000 0.976 1 E CB 0.000 29.653 29.700 -0.078 0.000 0.812 2 A N 5.576 128.359 122.820 -0.062 0.000 2.320 2 A HA 0.462 4.766 4.320 -0.026 0.000 0.334 2 A C -2.189 175.371 177.584 -0.039 0.000 1.147 2 A CA -0.735 51.282 52.037 -0.034 0.000 0.820 2 A CB 3.202 22.197 19.000 -0.009 0.000 1.218 2 A HN 0.702 9.116 8.150 -0.084 -0.314 0.482 3 S N 0.754 116.440 115.700 -0.022 0.000 2.566 3 S HA 0.702 5.326 4.470 -0.034 -0.174 0.324 3 S C -0.600 173.999 174.600 -0.002 0.000 1.081 3 S CA -0.415 57.772 58.200 -0.022 0.000 1.105 3 S CB 0.685 63.873 63.200 -0.021 0.000 0.981 3 S HN 0.243 8.545 8.310 -0.014 0.000 0.464 4 L N 7.054 128.278 121.223 0.001 0.000 2.334 4 L HA 0.543 5.091 4.340 0.062 -0.171 0.273 4 L C -0.804 176.082 176.870 0.026 0.000 1.013 4 L CA -1.568 53.301 54.840 0.049 0.000 0.816 4 L CB 3.255 45.370 42.059 0.095 0.000 1.278 4 L HN 0.924 9.142 8.230 -0.020 0.000 0.431 5 T N -0.954 113.602 114.554 0.002 0.000 2.841 5 T HA 0.823 5.296 4.350 -0.097 -0.181 0.283 5 T C -0.601 173.859 174.700 -0.400 0.000 1.000 5 T CA -2.170 59.860 62.100 -0.117 0.000 0.977 5 T CB 2.593 71.405 68.868 -0.095 0.000 0.979 5 T HN 0.441 9.027 8.240 0.035 -0.325 0.446 6 G N 0.843 109.267 108.800 -0.628 0.000 2.574 6 G HA2 0.875 4.276 3.960 -1.299 0.000 0.299 6 G HA3 0.875 3.620 3.960 -2.026 0.000 0.299 6 G C -3.290 171.276 174.900 -0.557 0.000 1.298 6 G CA -1.576 42.815 45.100 -1.183 0.000 0.952 6 G HN 0.528 8.607 8.290 -0.350 0.000 0.477 7 A N -1.149 121.421 122.820 -0.416 0.000 2.589 7 A HA 1.015 5.040 4.320 -0.789 -0.178 0.296 7 A C -2.069 175.440 177.584 -0.126 0.000 1.062 7 A CA -1.118 50.665 52.037 -0.423 0.000 0.686 7 A CB 3.231 22.076 19.000 -0.259 0.000 1.282 7 A HN -0.284 7.664 8.150 -0.336 0.000 0.404 8 G N -0.722 108.000 108.800 -0.130 0.000 2.384 8 G HA2 -0.156 4.044 3.960 0.053 0.000 0.113 8 G HA3 -0.156 4.108 3.960 0.191 -0.189 0.113 8 G C -1.896 173.132 174.900 0.213 0.000 1.224 8 G CA 0.613 45.776 45.100 0.104 0.000 1.126 8 G HN 0.230 8.314 8.290 -0.344 0.000 0.461 9 A N 1.288 124.290 122.820 0.303 0.000 2.598 9 A HA -0.083 4.363 4.320 0.210 0.000 0.239 9 A C 0.921 178.713 177.584 0.347 0.000 1.032 9 A CA 1.190 53.395 52.037 0.280 0.000 0.760 9 A CB 0.291 19.438 19.000 0.245 0.000 0.946 9 A HN -0.145 8.072 8.150 0.300 0.113 0.512 10 T N 3.431 118.141 114.554 0.260 0.000 3.067 10 T HA -0.318 4.236 4.350 0.340 0.000 0.261 10 T C 1.657 176.553 174.700 0.326 0.000 1.110 10 T CA 2.038 64.299 62.100 0.267 0.000 1.113 10 T CB 0.226 69.167 68.868 0.122 0.000 0.917 10 T HN 0.297 8.660 8.240 0.205 0.000 0.499 11 F N 4.238 124.262 119.950 0.124 0.000 2.087 11 F HA -0.180 4.468 4.527 0.202 0.000 0.299 11 F C -1.896 173.987 175.800 0.139 0.000 1.100 11 F CA 3.822 61.913 58.000 0.151 0.000 1.226 11 F CB -1.752 37.309 39.000 0.101 0.000 0.983 11 F HN 0.357 8.888 8.300 0.385 0.000 0.479 12 P HA 0.274 4.395 4.420 -0.499 0.000 0.268 12 P C -0.247 176.660 177.300 -0.655 0.000 1.329 12 P CA -0.363 62.441 63.100 -0.493 0.000 0.899 12 P CB -1.219 29.881 31.700 -1.000 0.000 1.378 13 A N 1.014 123.735 122.820 -0.164 0.000 1.948 13 A HA -0.202 4.056 4.320 -0.103 0.000 0.220 13 A C -0.461 177.076 177.584 -0.078 0.000 1.177 13 A CA 5.169 57.202 52.037 -0.007 0.000 0.636 13 A CB -2.646 16.552 19.000 0.330 0.000 0.815 13 A HN -0.185 7.818 8.150 0.059 0.183 0.449 14 P HA -0.223 4.134 4.420 -0.105 0.000 0.215 14 P C 1.181 178.359 177.300 -0.202 0.000 1.153 14 P CA 2.993 66.003 63.100 -0.150 0.000 0.853 14 P CB -0.496 31.083 31.700 -0.202 0.000 0.788 15 V N -1.560 118.091 119.914 -0.438 0.000 2.379 15 V HA -0.319 3.500 4.120 -0.503 0.000 0.245 15 V C 1.065 176.815 176.094 -0.573 0.000 1.044 15 V CA 2.750 64.636 62.300 -0.691 0.000 1.036 15 V CB -0.323 30.786 31.823 -1.191 0.000 0.664 15 V HN -0.714 7.155 8.190 -0.535 0.000 0.453 16 Y N -0.677 119.329 120.300 -0.490 0.000 2.224 16 Y HA -0.392 4.153 4.550 -0.010 0.000 0.289 16 Y C 2.156 178.094 175.900 0.064 0.000 1.146 16 Y CA 1.588 59.597 58.100 -0.151 0.000 1.182 16 Y CB -1.822 36.473 38.460 -0.276 0.000 0.983 16 Y HN -0.070 7.898 8.280 -0.521 0.000 0.524 17 A N -1.611 121.309 122.820 0.167 0.000 1.902 17 A HA -0.403 4.050 4.320 0.223 0.000 0.217 17 A C 1.681 179.371 177.584 0.176 0.000 1.181 17 A CA 3.036 55.180 52.037 0.178 0.000 0.623 17 A CB -0.887 18.192 19.000 0.131 0.000 0.818 17 A HN 0.220 8.417 8.150 0.079 0.000 0.443 18 K N -0.734 119.736 120.400 0.116 0.000 2.026 18 K HA -0.191 4.220 4.320 0.153 0.000 0.208 18 K C 2.113 178.932 176.600 0.365 0.000 1.048 18 K CA 2.565 58.948 56.287 0.160 0.000 0.929 18 K CB -0.656 31.880 32.500 0.059 0.000 0.713 18 K HN -0.661 7.608 8.250 0.032 0.000 0.439 19 W N -1.677 119.779 121.300 0.260 0.000 2.335 19 W HA -0.273 4.685 4.660 0.497 0.000 0.311 19 W C 2.147 178.936 176.519 0.450 0.000 1.213 19 W CA 1.664 59.262 57.345 0.422 0.000 1.274 19 W CB -1.084 28.577 29.460 0.335 0.000 1.148 19 W HN -0.027 8.339 8.180 0.310 0.000 0.498 20 A N -2.309 120.848 122.820 0.563 0.000 1.902 20 A HA -0.421 3.980 4.320 0.135 0.000 0.217 20 A C 1.946 179.638 177.584 0.180 0.000 1.181 20 A CA 3.115 55.296 52.037 0.240 0.000 0.623 20 A CB -0.941 18.122 19.000 0.106 0.000 0.818 20 A HN -0.027 8.457 8.150 0.556 0.000 0.443 21 D N -2.439 118.082 120.400 0.203 0.000 2.097 21 D HA -0.262 4.436 4.640 0.097 0.000 0.195 21 D C 2.209 178.604 176.300 0.159 0.000 0.989 21 D CA 3.333 57.420 54.000 0.145 0.000 0.827 21 D CB 0.076 40.958 40.800 0.138 0.000 0.966 21 D HN -0.298 8.213 8.370 0.235 0.000 0.456 22 T N 2.330 117.043 114.554 0.264 0.000 2.746 22 T HA -0.360 4.127 4.350 0.228 0.000 0.267 22 T C 1.872 176.685 174.700 0.188 0.000 1.039 22 T CA 4.714 66.997 62.100 0.305 0.000 1.142 22 T CB -0.069 69.106 68.868 0.512 0.000 0.866 22 T HN -0.356 8.082 8.240 0.330 0.000 0.444 23 Y N 2.194 122.389 120.300 -0.175 0.000 2.224 23 Y HA -0.426 3.532 4.550 -0.986 0.000 0.289 23 Y C 1.471 177.167 175.900 -0.341 0.000 1.146 23 Y CA 3.202 60.905 58.100 -0.661 0.000 1.182 23 Y CB -0.240 37.738 38.460 -0.803 0.000 0.983 23 Y HN 0.047 8.453 8.280 0.210 0.000 0.524 24 Q N -0.379 119.338 119.800 -0.138 0.000 2.084 24 Q HA -0.367 3.950 4.340 -0.272 -0.141 0.202 24 Q C 2.830 178.746 176.000 -0.139 0.000 0.978 24 Q CA 3.129 58.829 55.803 -0.173 0.000 0.844 24 Q CB -0.027 28.662 28.738 -0.081 0.000 0.898 24 Q HN -0.333 7.925 8.270 -0.020 0.000 0.426 25 K N -0.788 119.578 120.400 -0.057 0.000 2.063 25 K HA -0.286 4.017 4.320 -0.028 0.000 0.208 25 K C 2.175 178.747 176.600 -0.046 0.000 1.048 25 K CA 2.881 59.154 56.287 -0.024 0.000 0.928 25 K CB -0.049 32.473 32.500 0.037 0.000 0.713 25 K HN -0.504 7.735 8.250 -0.018 0.000 0.442 26 E N -3.238 116.921 120.200 -0.068 0.000 2.170 26 E HA -0.106 4.239 4.350 -0.007 0.000 0.191 26 E C 1.511 178.014 176.600 -0.162 0.000 0.981 26 E CA 2.123 58.490 56.400 -0.054 0.000 0.830 26 E CB 0.653 30.385 29.700 0.053 0.000 0.775 26 E HN -0.311 7.980 8.360 -0.081 0.020 0.470 27 T N -7.239 107.115 114.554 -0.333 0.000 2.958 27 T HA 0.208 4.393 4.350 -0.276 0.000 0.256 27 T C 0.887 175.384 174.700 -0.339 0.000 0.983 27 T CA -0.999 60.858 62.100 -0.405 0.000 0.924 27 T CB 1.748 70.161 68.868 -0.760 0.000 1.136 27 T HN -0.241 7.769 8.240 -0.383 0.000 0.506 28 G N 0.948 109.566 108.800 -0.303 0.000 2.284 28 G HA2 -0.405 3.519 3.960 -0.170 0.000 0.247 28 G HA3 -0.405 3.446 3.960 -0.182 0.000 0.247 28 G C 0.005 174.761 174.900 -0.240 0.000 1.012 28 G CA 0.096 45.065 45.100 -0.219 0.000 0.618 28 G HN -0.308 7.696 8.290 -0.304 0.103 0.521 29 N N 2.712 121.201 118.700 -0.353 0.000 2.458 29 N HA -0.196 4.546 4.740 -0.191 -0.116 0.258 29 N C -1.356 174.037 175.510 -0.194 0.000 1.219 29 N CA 1.129 54.010 53.050 -0.283 0.000 0.902 29 N CB 0.790 39.062 38.487 -0.358 0.000 1.076 29 N HN -0.614 7.380 8.380 -0.495 0.089 0.455 30 K N 3.508 123.838 120.400 -0.118 0.000 2.307 30 K HA 0.284 4.548 4.320 -0.093 0.000 0.263 30 K C -1.981 174.559 176.600 -0.100 0.000 0.973 30 K CA -0.962 55.270 56.287 -0.091 0.000 0.846 30 K CB 2.260 34.721 32.500 -0.064 0.000 1.100 30 K HN 0.577 8.765 8.250 -0.102 0.000 0.438 31 V N 5.107 124.937 119.914 -0.140 0.000 2.378 31 V HA 0.281 4.492 4.120 -0.110 -0.158 0.288 31 V C -0.827 175.247 176.094 -0.033 0.000 1.016 31 V CA -1.642 60.558 62.300 -0.165 0.000 0.840 31 V CB 0.386 31.893 31.823 -0.525 0.000 0.994 31 V HN 0.358 8.469 8.190 -0.131 0.000 0.431 32 N N 8.881 127.587 118.700 0.011 0.000 2.426 32 N HA 0.174 4.950 4.740 0.059 0.000 0.275 32 N C -2.332 173.234 175.510 0.093 0.000 1.019 32 N CA -0.886 52.188 53.050 0.041 0.000 0.941 32 N CB 2.614 41.098 38.487 -0.005 0.000 1.123 32 N HN 0.149 8.527 8.380 -0.003 0.000 0.486 33 Y N 6.704 127.020 120.300 0.028 0.000 2.338 33 Y HA 0.404 5.141 4.550 -0.017 -0.197 0.333 33 Y C -1.276 174.662 175.900 0.063 0.000 0.968 33 Y CA -1.233 56.904 58.100 0.062 0.000 1.123 33 Y CB 2.043 40.634 38.460 0.219 0.000 1.165 33 Y HN 0.409 8.812 8.280 0.204 0.000 0.452 34 Q N 8.234 127.665 119.800 -0.615 0.000 2.340 34 Q HA 0.281 4.492 4.340 -0.215 0.000 0.259 34 Q C -0.768 174.918 176.000 -0.523 0.000 0.964 34 Q CA -1.771 53.788 55.803 -0.407 0.000 0.900 34 Q CB 1.576 30.164 28.738 -0.250 0.000 1.228 34 Q HN 0.174 7.997 8.270 -0.745 0.000 0.449 35 G N 2.929 111.604 108.800 -0.208 0.000 2.530 35 G HA2 0.238 4.338 3.960 -0.047 0.000 0.313 35 G HA3 0.238 4.258 3.960 0.100 0.000 0.313 35 G C -0.472 174.418 174.900 -0.017 0.000 0.971 35 G CA -0.232 44.847 45.100 -0.034 0.000 1.237 35 G HN 0.552 8.785 8.290 -0.096 0.000 0.446 36 I N -1.598 118.952 120.570 -0.033 0.000 4.154 36 I HA 0.359 4.528 4.170 -0.002 0.000 0.334 36 I C -0.424 175.710 176.117 0.029 0.000 1.371 36 I CA -1.222 60.072 61.300 -0.010 0.000 1.110 36 I CB 1.149 39.126 38.000 -0.038 0.000 1.085 36 I HN -0.257 7.921 8.210 -0.053 0.000 0.398 37 G N 0.617 109.453 108.800 0.061 0.000 2.712 37 G HA2 -0.299 3.725 3.960 0.107 0.000 0.686 37 G HA3 -0.299 3.708 3.960 0.078 0.000 0.686 37 G C 0.155 175.111 174.900 0.093 0.000 1.321 37 G CA -0.406 44.747 45.100 0.087 0.000 0.813 37 G HN -0.622 7.711 8.290 0.071 0.000 0.599 38 S N 1.027 116.791 115.700 0.107 0.000 2.368 38 S HA -0.228 4.482 4.470 0.110 -0.174 0.225 38 S C 2.236 176.873 174.600 0.062 0.000 1.030 38 S CA 4.181 62.437 58.200 0.093 0.000 0.999 38 S CB 0.296 63.545 63.200 0.082 0.000 0.844 38 S HN 0.363 8.742 8.310 0.116 0.000 0.459 39 S N 2.244 117.981 115.700 0.061 0.000 2.368 39 S HA -0.331 4.156 4.470 0.028 0.000 0.225 39 S C 1.852 176.474 174.600 0.037 0.000 1.030 39 S CA 3.702 61.928 58.200 0.044 0.000 0.999 39 S CB -0.332 62.903 63.200 0.058 0.000 0.844 39 S HN -0.751 7.605 8.310 0.077 0.000 0.459 40 G N -0.182 108.642 108.800 0.039 0.000 2.422 40 G HA2 -0.261 3.713 3.960 0.023 0.000 0.218 40 G HA3 -0.261 3.711 3.960 0.019 0.000 0.218 40 G C 0.894 175.806 174.900 0.019 0.000 1.146 40 G CA 1.410 46.525 45.100 0.025 0.000 0.769 40 G HN 0.235 8.553 8.290 0.047 0.000 0.547 41 G N 1.536 110.356 108.800 0.033 0.000 2.446 41 G HA2 -0.311 3.744 3.960 0.021 0.000 0.217 41 G HA3 -0.311 3.849 3.960 0.075 -0.155 0.217 41 G C 1.159 176.083 174.900 0.040 0.000 1.168 41 G CA 1.921 47.047 45.100 0.043 0.000 0.771 41 G HN -0.323 7.914 8.290 0.045 0.079 0.551 42 V N 2.602 122.534 119.914 0.031 0.000 2.295 42 V HA -0.535 3.593 4.120 0.014 0.000 0.246 42 V C 1.461 177.567 176.094 0.020 0.000 1.049 42 V CA 4.272 66.581 62.300 0.015 0.000 1.024 42 V CB -0.375 31.445 31.823 -0.005 0.000 0.648 42 V HN -0.486 7.724 8.190 0.033 0.000 0.447 43 K N -1.065 119.348 120.400 0.022 0.000 2.063 43 K HA -0.461 3.874 4.320 0.026 0.000 0.208 43 K C 2.344 178.962 176.600 0.031 0.000 1.048 43 K CA 3.420 59.722 56.287 0.025 0.000 0.928 43 K CB -0.238 32.275 32.500 0.022 0.000 0.713 43 K HN -0.635 7.628 8.250 0.021 0.000 0.442 44 Q N -1.917 117.898 119.800 0.025 0.000 2.123 44 Q HA -0.236 4.118 4.340 0.024 0.000 0.199 44 Q C 2.694 178.727 176.000 0.055 0.000 0.966 44 Q CA 2.101 57.919 55.803 0.025 0.000 0.845 44 Q CB -0.426 28.309 28.738 -0.005 0.000 0.907 44 Q HN -0.279 8.003 8.270 0.020 0.000 0.439 45 I N 1.518 122.127 120.570 0.066 0.000 2.315 45 I HA -0.302 3.958 4.170 0.150 0.000 0.248 45 I C 1.589 177.820 176.117 0.190 0.000 1.117 45 I CA 1.334 62.705 61.300 0.118 0.000 1.404 45 I CB -0.015 38.027 38.000 0.070 0.000 1.071 45 I HN -0.491 7.748 8.210 0.049 0.000 0.419 46 I N 0.234 120.871 120.570 0.113 0.000 2.286 46 I HA -0.475 3.813 4.170 0.196 0.000 0.248 46 I C 1.744 177.948 176.117 0.144 0.000 1.115 46 I CA 3.674 65.058 61.300 0.140 0.000 1.392 46 I CB -0.182 37.861 38.000 0.072 0.000 1.065 46 I HN -0.472 7.780 8.210 0.070 0.000 0.418 47 A N -3.752 119.126 122.820 0.097 0.000 2.206 47 A HA -0.097 4.256 4.320 0.055 0.000 0.211 47 A C -0.538 177.081 177.584 0.058 0.000 1.158 47 A CA 0.293 52.368 52.037 0.063 0.000 0.761 47 A CB 0.105 19.129 19.000 0.040 0.000 0.801 47 A HN -0.448 7.738 8.150 0.085 0.015 0.473 48 N N -5.673 113.085 118.700 0.096 0.000 2.776 48 N HA -0.323 4.481 4.740 0.107 0.000 0.249 48 N C 0.536 176.066 175.510 0.034 0.000 1.111 48 N CA 1.195 54.280 53.050 0.058 0.000 0.711 48 N CB -1.075 37.394 38.487 -0.030 0.000 1.065 48 N HN -0.457 7.830 8.380 0.153 0.186 0.556 49 T N -4.747 109.828 114.554 0.035 0.000 3.060 49 T HA 0.085 4.438 4.350 0.006 0.000 0.249 49 T C -0.516 174.182 174.700 -0.004 0.000 1.079 49 T CA 0.934 63.040 62.100 0.009 0.000 1.013 49 T CB 0.728 69.596 68.868 0.000 0.000 0.975 49 T HN -0.215 8.054 8.240 0.048 0.000 0.518 50 V N -4.034 115.884 119.914 0.007 0.000 3.130 50 V HA 0.507 4.603 4.120 -0.041 0.000 0.310 50 V C -1.160 174.958 176.094 0.040 0.000 1.158 50 V CA -3.532 58.752 62.300 -0.026 0.000 1.029 50 V CB 2.820 34.580 31.823 -0.106 0.000 1.057 50 V HN -0.905 7.260 8.190 0.035 0.047 0.436 51 D N 0.029 120.456 120.400 0.044 0.000 2.183 51 D HA -0.079 4.665 4.640 0.174 0.000 0.203 51 D C -0.474 176.027 176.300 0.336 0.000 0.969 51 D CA 3.547 57.655 54.000 0.180 0.000 0.842 51 D CB 1.378 42.315 40.800 0.227 0.000 0.957 51 D HN -0.181 8.179 8.370 -0.016 0.000 0.484 52 F N -6.979 113.075 119.950 0.173 0.000 2.619 52 F HA 0.615 5.360 4.527 0.165 -0.119 0.308 52 F C -2.210 173.687 175.800 0.162 0.000 1.097 52 F CA -2.175 55.933 58.000 0.181 0.000 0.953 52 F CB 2.161 41.302 39.000 0.234 0.000 1.287 52 F HN -0.733 7.513 8.300 -0.090 0.000 0.446 53 G N -1.888 107.076 108.800 0.274 0.000 2.509 53 G HA2 0.724 4.936 3.960 0.116 0.000 0.328 53 G HA3 0.724 4.762 3.960 0.129 0.000 0.328 53 G C -2.654 172.431 174.900 0.308 0.000 1.194 53 G CA -2.292 42.921 45.100 0.189 0.000 0.967 53 G HN 0.365 8.828 8.290 0.288 0.000 0.488 54 A N -1.006 121.986 122.820 0.288 0.000 2.427 54 A HA 0.911 5.574 4.320 0.248 -0.194 0.298 54 A C -1.911 175.809 177.584 0.227 0.000 1.036 54 A CA -1.024 51.208 52.037 0.325 0.000 0.701 54 A CB 3.376 22.738 19.000 0.604 0.000 1.250 54 A HN -0.085 8.203 8.150 0.230 0.000 0.412 55 S N 2.462 118.267 115.700 0.175 0.000 2.548 55 S HA 0.470 5.011 4.470 0.118 0.000 0.276 55 S C -0.385 174.305 174.600 0.150 0.000 1.129 55 S CA -1.500 56.775 58.200 0.126 0.000 0.931 55 S CB 2.147 65.382 63.200 0.058 0.000 1.068 55 S HN 0.094 8.511 8.310 0.179 0.000 0.480 56 D N 7.496 127.931 120.400 0.060 0.000 2.234 56 D HA -0.080 4.521 4.640 -0.065 0.000 0.205 56 D C 0.276 176.660 176.300 0.139 0.000 0.962 56 D CA 1.826 55.814 54.000 -0.021 0.000 0.855 56 D CB 0.234 40.878 40.800 -0.260 0.000 0.951 56 D HN 0.288 8.688 8.370 0.051 0.000 0.500 57 A N 1.032 123.862 122.820 0.018 0.000 2.309 57 A HA 0.304 4.540 4.320 -0.139 0.000 0.290 57 A C -2.149 175.291 177.584 -0.240 0.000 1.206 57 A CA -2.398 49.508 52.037 -0.218 0.000 0.850 57 A CB -0.104 18.523 19.000 -0.622 0.000 1.118 57 A HN -0.785 7.361 8.150 -0.006 0.000 0.523 58 P HA -0.050 3.947 4.420 -0.895 -0.114 0.275 58 P C -1.398 175.655 177.300 -0.411 0.000 1.228 58 P CA -0.757 61.960 63.100 -0.639 0.000 0.786 58 P CB 0.838 32.110 31.700 -0.713 0.000 0.927 59 L N 1.926 122.932 121.223 -0.362 0.000 2.395 59 L HA 0.121 4.335 4.340 -0.211 0.000 0.269 59 L C 0.295 177.046 176.870 -0.198 0.000 1.133 59 L CA -0.632 54.069 54.840 -0.232 0.000 0.812 59 L CB 0.291 42.246 42.059 -0.174 0.000 1.125 59 L HN -0.072 8.224 8.230 -0.415 -0.315 0.452 60 S N 1.318 116.939 115.700 -0.132 0.000 2.584 60 S HA -0.134 4.277 4.470 -0.098 0.000 0.270 60 S C 0.564 175.120 174.600 -0.074 0.000 1.346 60 S CA -0.636 57.509 58.200 -0.092 0.000 1.018 60 S CB 1.235 64.400 63.200 -0.060 0.000 0.899 60 S HN -0.173 8.064 8.310 -0.121 0.000 0.542 61 D N 2.876 123.244 120.400 -0.054 0.000 2.133 61 D HA -0.335 4.287 4.640 -0.030 0.000 0.195 61 D C 2.393 178.684 176.300 -0.014 0.000 0.997 61 D CA 3.756 57.738 54.000 -0.030 0.000 0.840 61 D CB -0.375 40.412 40.800 -0.020 0.000 0.947 61 D HN 0.559 8.897 8.370 -0.053 0.000 0.452 62 E N -0.512 119.678 120.200 -0.016 0.000 2.051 62 E HA -0.300 4.050 4.350 0.001 0.000 0.192 62 E C 1.940 178.536 176.600 -0.008 0.000 0.991 62 E CA 2.851 59.247 56.400 -0.007 0.000 0.799 62 E CB -0.155 29.540 29.700 -0.008 0.000 0.748 62 E HN 0.047 8.393 8.360 -0.022 0.000 0.449 63 K N -0.136 120.251 120.400 -0.022 0.000 2.057 63 K HA -0.225 4.249 4.320 -0.014 -0.162 0.207 63 K C 2.488 179.078 176.600 -0.018 0.000 1.049 63 K CA 2.235 58.508 56.287 -0.024 0.000 0.931 63 K CB -0.435 32.039 32.500 -0.044 0.000 0.714 63 K HN -0.531 7.700 8.250 -0.031 0.000 0.440 64 L N -2.084 119.124 121.223 -0.025 0.000 2.012 64 L HA -0.428 3.901 4.340 -0.017 0.000 0.210 64 L C 2.015 178.902 176.870 0.029 0.000 1.073 64 L CA 3.218 58.054 54.840 -0.006 0.000 0.748 64 L CB -0.476 41.578 42.059 -0.008 0.000 0.891 64 L HN -0.117 8.090 8.230 -0.037 0.000 0.431 65 A N -2.084 120.755 122.820 0.032 0.000 1.902 65 A HA -0.338 4.020 4.320 0.062 0.000 0.217 65 A C 2.783 180.392 177.584 0.042 0.000 1.181 65 A CA 2.692 54.756 52.037 0.045 0.000 0.623 65 A CB -0.664 18.359 19.000 0.038 0.000 0.818 65 A HN -0.327 7.835 8.150 0.020 0.000 0.443 66 Q N -1.448 118.369 119.800 0.029 0.000 2.170 66 Q HA -0.281 4.077 4.340 0.031 0.000 0.203 66 Q C 2.041 178.066 176.000 0.041 0.000 0.976 66 Q CA 2.640 58.461 55.803 0.029 0.000 0.858 66 Q CB 0.160 28.909 28.738 0.018 0.000 0.907 66 Q HN -0.244 8.038 8.270 0.020 0.000 0.433 67 E N -4.107 116.117 120.200 0.040 0.000 2.474 67 E HA 0.085 4.473 4.350 0.064 0.000 0.194 67 E C 0.687 177.337 176.600 0.084 0.000 1.041 67 E CA -0.554 55.877 56.400 0.052 0.000 0.874 67 E CB 0.415 30.128 29.700 0.021 0.000 0.914 67 E HN -0.640 7.709 8.360 0.030 0.029 0.498 68 G N -0.760 108.092 108.800 0.086 0.000 2.249 68 G HA2 -0.409 3.619 3.960 0.113 0.000 0.273 68 G HA3 -0.409 3.644 3.960 0.154 0.000 0.273 68 G C -1.435 173.532 174.900 0.111 0.000 1.036 68 G CA 0.713 45.886 45.100 0.121 0.000 0.824 68 G HN -0.397 7.764 8.290 0.071 0.171 0.504 69 L N -2.870 118.389 121.223 0.059 0.000 2.334 69 L HA 0.773 5.268 4.340 0.006 -0.151 0.270 69 L C -1.708 175.269 176.870 0.177 0.000 1.018 69 L CA -1.232 53.630 54.840 0.036 0.000 0.811 69 L CB 2.220 44.242 42.059 -0.061 0.000 1.271 69 L HN -0.503 7.736 8.230 0.054 0.023 0.443 70 F N 0.882 120.882 119.950 0.084 0.000 2.540 70 F HA 0.351 4.971 4.527 0.155 0.000 0.317 70 F C -2.856 173.073 175.800 0.215 0.000 1.104 70 F CA -1.038 57.066 58.000 0.174 0.000 0.913 70 F CB 4.062 43.205 39.000 0.238 0.000 1.170 70 F HN 0.432 8.893 8.300 0.268 0.000 0.450 71 Q N 7.319 126.702 119.800 -0.695 0.000 2.365 71 Q HA 1.007 5.436 4.340 -0.249 -0.238 0.269 71 Q C -1.834 173.888 176.000 -0.465 0.000 1.061 71 Q CA -2.015 53.537 55.803 -0.420 0.000 0.816 71 Q CB 4.012 32.571 28.738 -0.298 0.000 1.325 71 Q HN 0.087 7.810 8.270 -0.911 0.000 0.446 72 F N -0.260 119.527 119.950 -0.273 0.000 2.608 72 F HA 0.591 4.767 4.527 -0.586 0.000 0.309 72 F C -3.471 172.220 175.800 -0.182 0.000 1.103 72 F CA -3.402 54.394 58.000 -0.340 0.000 0.954 72 F CB 1.615 40.482 39.000 -0.222 0.000 1.267 72 F HN 0.164 8.243 8.300 -0.368 0.000 0.444 73 P HA 0.753 5.050 4.420 -0.557 -0.211 0.281 73 P C -0.183 177.044 177.300 -0.123 0.000 1.249 73 P CA -0.873 62.012 63.100 -0.358 0.000 0.810 73 P CB 2.373 33.848 31.700 -0.376 0.000 1.008 74 T N -2.917 111.581 114.554 -0.093 0.000 3.182 74 T HA 0.138 4.674 4.350 0.310 0.000 0.244 74 T C -0.119 174.708 174.700 0.212 0.000 0.981 74 T CA 0.413 62.612 62.100 0.166 0.000 1.182 74 T CB 1.642 70.650 68.868 0.234 0.000 1.043 74 T HN 0.060 8.173 8.240 -0.212 0.000 0.424 75 V N -3.642 116.333 119.914 0.102 0.000 3.182 75 V HA 0.531 4.745 4.120 0.157 0.000 0.308 75 V C -2.621 173.566 176.094 0.154 0.000 1.240 75 V CA -2.854 59.524 62.300 0.130 0.000 1.063 75 V CB 3.091 34.935 31.823 0.035 0.000 1.076 75 V HN -0.749 7.460 8.190 0.032 0.000 0.446 76 I N -1.087 119.627 120.570 0.240 0.000 2.436 76 I HA 0.475 4.953 4.170 0.281 -0.140 0.289 76 I C -1.330 174.987 176.117 0.332 0.000 1.010 76 I CA -1.123 60.350 61.300 0.289 0.000 1.098 76 I CB 2.274 40.442 38.000 0.280 0.000 1.266 76 I HN 0.242 8.599 8.210 0.244 0.000 0.434 77 G N 4.555 113.547 108.800 0.321 0.000 3.140 77 G HA2 0.781 4.564 3.960 -0.297 0.000 0.271 77 G HA3 0.781 4.660 3.960 -0.317 -0.108 0.271 77 G C -2.558 172.004 174.900 -0.563 0.000 1.370 77 G CA -1.661 43.327 45.100 -0.186 0.000 1.014 77 G HN 0.438 9.021 8.290 0.488 0.000 0.541 78 G N -3.497 104.531 108.800 -1.285 0.000 2.638 78 G HA2 0.778 4.592 3.960 -0.441 0.000 0.302 78 G HA3 0.778 3.478 3.960 -2.099 0.000 0.302 78 G C -2.318 172.317 174.900 -0.441 0.000 1.365 78 G CA -0.698 43.747 45.100 -1.092 0.000 0.987 78 G HN -0.474 7.212 8.290 -1.346 -0.204 0.495 79 V N 3.647 123.609 119.914 0.079 0.000 2.432 79 V HA 0.438 4.781 4.120 0.110 -0.156 0.275 79 V C -0.505 175.799 176.094 0.349 0.000 1.043 79 V CA -0.693 61.731 62.300 0.206 0.000 0.925 79 V CB 0.346 32.348 31.823 0.298 0.000 0.985 79 V HN 0.269 8.587 8.190 0.213 0.000 0.466 80 V N 2.721 122.779 119.914 0.240 0.000 3.113 80 V HA 0.471 4.944 4.120 0.590 0.000 0.316 80 V C -2.315 173.950 176.094 0.285 0.000 1.125 80 V CA -3.310 59.190 62.300 0.334 0.000 1.026 80 V CB 3.742 35.641 31.823 0.127 0.000 1.080 80 V HN 0.865 9.145 8.190 0.150 0.000 0.444 81 L N 0.542 121.972 121.223 0.345 0.000 2.272 81 L HA 0.380 5.027 4.340 0.248 -0.158 0.284 81 L C -0.309 176.729 176.870 0.280 0.000 1.045 81 L CA -1.485 53.537 54.840 0.303 0.000 0.842 81 L CB -1.588 40.688 42.059 0.363 0.000 1.224 81 L HN 0.499 8.982 8.230 0.421 0.000 0.430 82 A N 6.042 128.984 122.820 0.204 0.000 2.409 82 A HA 0.479 5.119 4.320 0.211 -0.193 0.262 82 A C -1.249 176.419 177.584 0.141 0.000 1.113 82 A CA -0.598 51.540 52.037 0.169 0.000 0.790 82 A CB 1.213 20.277 19.000 0.107 0.000 1.046 82 A HN 0.386 8.635 8.150 0.164 0.000 0.496 83 V N -3.678 116.287 119.914 0.085 0.000 3.040 83 V HA 0.940 5.301 4.120 0.090 -0.187 0.312 83 V C -2.124 173.944 176.094 -0.044 0.000 1.115 83 V CA -3.277 59.035 62.300 0.020 0.000 0.998 83 V CB 3.531 35.291 31.823 -0.105 0.000 1.042 83 V HN 0.181 8.415 8.190 0.074 0.000 0.433 84 N N 1.136 119.795 118.700 -0.069 0.000 2.716 84 N HA 0.191 4.877 4.740 -0.089 0.000 0.253 84 N C -2.044 173.363 175.510 -0.170 0.000 1.170 84 N CA -1.094 51.909 53.050 -0.079 0.000 0.807 84 N CB 1.319 39.803 38.487 -0.004 0.000 1.183 84 N HN -0.112 8.242 8.380 -0.042 0.000 0.524 85 I N 4.225 124.626 120.570 -0.282 0.000 2.382 85 I HA 0.406 4.329 4.170 -0.411 0.000 0.285 85 I C -2.205 173.782 176.117 -0.217 0.000 1.007 85 I CA -3.274 57.783 61.300 -0.404 0.000 1.142 85 I CB 2.517 40.094 38.000 -0.704 0.000 1.289 85 I HN -0.009 8.054 8.210 -0.245 0.000 0.453 86 P HA -0.065 4.316 4.420 -0.065 0.000 0.261 86 P C 0.153 177.409 177.300 -0.073 0.000 1.183 86 P CA 1.158 64.214 63.100 -0.073 0.000 0.761 86 P CB 0.364 32.047 31.700 -0.029 0.000 0.785 87 G N 2.030 110.791 108.800 -0.064 0.000 2.217 87 G HA2 -0.266 3.668 3.960 -0.044 0.000 0.246 87 G HA3 -0.266 3.668 3.960 -0.044 0.000 0.246 87 G C -0.754 174.106 174.900 -0.067 0.000 0.990 87 G CA 0.087 45.155 45.100 -0.054 0.000 0.627 87 G HN 0.124 8.377 8.290 -0.062 0.000 0.522 88 L N 1.137 122.301 121.223 -0.098 0.000 2.334 88 L HA 0.332 4.737 4.340 -0.085 -0.117 0.276 88 L C -0.570 176.232 176.870 -0.114 0.000 1.014 88 L CA -1.027 53.748 54.840 -0.108 0.000 0.815 88 L CB 2.781 44.752 42.059 -0.147 0.000 1.268 88 L HN -0.664 7.429 8.230 -0.113 0.069 0.428 89 K N 1.705 122.042 120.400 -0.105 0.000 2.132 89 K HA 0.262 4.512 4.320 -0.116 0.000 0.241 89 K C -0.431 176.073 176.600 -0.159 0.000 1.000 89 K CA -1.592 54.625 56.287 -0.117 0.000 0.911 89 K CB 1.159 33.603 32.500 -0.094 0.000 1.093 89 K HN -0.134 8.296 8.250 -0.093 -0.235 0.460 90 S N -0.446 115.132 115.700 -0.203 0.000 2.558 90 S HA -0.395 3.865 4.470 -0.350 0.000 0.288 90 S C 1.405 175.801 174.600 -0.340 0.000 1.318 90 S CA 2.054 60.046 58.200 -0.347 0.000 1.056 90 S CB -0.060 62.880 63.200 -0.434 0.000 0.853 90 S HN -0.021 8.184 8.310 -0.176 0.000 0.505 91 G N 7.488 116.053 108.800 -0.392 0.000 2.184 91 G HA2 -0.446 3.497 3.960 -0.112 0.000 0.264 91 G HA3 -0.446 3.412 3.960 -0.171 0.000 0.264 91 G C -0.496 174.368 174.900 -0.061 0.000 0.975 91 G CA 0.697 45.687 45.100 -0.184 0.000 0.642 91 G HN 0.654 8.670 8.290 -0.457 0.000 0.536 92 E N -1.430 118.723 120.200 -0.078 0.000 2.122 92 E HA -0.160 4.176 4.350 -0.023 0.000 0.190 92 E C 0.133 176.731 176.600 -0.003 0.000 0.977 92 E CA 0.846 57.224 56.400 -0.038 0.000 0.820 92 E CB 0.564 30.231 29.700 -0.055 0.000 0.770 92 E HN -0.660 7.575 8.360 -0.118 0.054 0.462 93 L N -0.174 121.045 121.223 -0.007 0.000 2.349 93 L HA -0.044 4.459 4.340 0.037 -0.140 0.275 93 L C -1.642 175.283 176.870 0.092 0.000 1.115 93 L CA 0.431 55.292 54.840 0.035 0.000 0.820 93 L CB 1.421 43.485 42.059 0.007 0.000 1.135 93 L HN -0.311 7.898 8.230 -0.036 0.000 0.445 94 V N 5.224 125.200 119.914 0.104 0.000 2.435 94 V HA 0.226 4.588 4.120 0.139 -0.158 0.290 94 V C -0.770 175.406 176.094 0.138 0.000 1.030 94 V CA -1.376 60.996 62.300 0.120 0.000 0.881 94 V CB 0.721 32.599 31.823 0.092 0.000 0.983 94 V HN -0.085 8.496 8.190 0.091 -0.336 0.445 95 L N 5.095 126.408 121.223 0.150 0.000 2.341 95 L HA 0.321 4.746 4.340 0.141 0.000 0.267 95 L C -1.573 175.357 176.870 0.100 0.000 1.009 95 L CA -1.947 52.981 54.840 0.147 0.000 0.819 95 L CB 3.188 45.369 42.059 0.202 0.000 1.323 95 L HN -0.027 8.296 8.230 0.155 0.000 0.425 96 D N -0.980 119.469 120.400 0.083 0.000 2.442 96 D HA 0.112 4.782 4.640 0.050 0.000 0.254 96 D C 0.745 177.081 176.300 0.060 0.000 1.069 96 D CA -1.734 52.300 54.000 0.056 0.000 1.017 96 D CB 1.799 42.618 40.800 0.033 0.000 1.172 96 D HN -0.125 8.298 8.370 0.088 0.000 0.561 97 G N -1.802 107.020 108.800 0.036 0.000 2.402 97 G HA2 -0.455 3.544 3.960 0.064 0.000 0.216 97 G HA3 -0.455 3.415 3.960 -0.151 0.000 0.216 97 G C 1.018 175.854 174.900 -0.106 0.000 1.162 97 G CA 2.303 47.379 45.100 -0.039 0.000 0.777 97 G HN 0.645 8.952 8.290 0.028 0.000 0.539 98 K N 1.586 121.938 120.400 -0.080 0.000 2.032 98 K HA -0.255 4.113 4.320 -0.088 -0.102 0.209 98 K C 2.399 178.991 176.600 -0.013 0.000 1.048 98 K CA 2.175 58.426 56.287 -0.059 0.000 0.927 98 K CB -0.944 31.533 32.500 -0.039 0.000 0.712 98 K HN -0.130 8.081 8.250 -0.066 0.000 0.441 99 T N 2.090 116.654 114.554 0.017 0.000 2.821 99 T HA -0.245 4.128 4.350 0.038 0.000 0.267 99 T C 1.829 176.573 174.700 0.074 0.000 1.046 99 T CA 4.507 66.635 62.100 0.045 0.000 1.139 99 T CB -0.136 68.767 68.868 0.059 0.000 0.871 99 T HN -0.444 8.101 8.240 0.016 -0.296 0.454 100 L N 1.535 122.813 121.223 0.091 0.000 2.042 100 L HA -0.332 4.141 4.340 0.221 0.000 0.210 100 L C 1.578 178.528 176.870 0.133 0.000 1.076 100 L CA 3.253 58.188 54.840 0.158 0.000 0.749 100 L CB -0.554 41.601 42.059 0.160 0.000 0.893 100 L HN -0.107 8.169 8.230 0.077 0.000 0.432 101 G N -2.683 106.109 108.800 -0.013 0.000 2.418 101 G HA2 -0.440 3.428 3.960 -0.153 0.000 0.217 101 G HA3 -0.440 3.469 3.960 -0.086 0.000 0.217 101 G C 0.907 175.895 174.900 0.146 0.000 1.158 101 G CA 2.365 47.445 45.100 -0.033 0.000 0.771 101 G HN 0.122 8.381 8.290 -0.052 0.000 0.545 102 D N 2.203 122.666 120.400 0.105 0.000 2.219 102 D HA -0.183 4.533 4.640 0.127 0.000 0.205 102 D C 2.000 178.356 176.300 0.094 0.000 0.970 102 D CA 2.931 56.992 54.000 0.102 0.000 0.851 102 D CB -0.504 40.329 40.800 0.054 0.000 0.943 102 D HN -0.474 7.860 8.370 0.067 0.077 0.488 103 I N 0.418 121.043 120.570 0.091 0.000 2.163 103 I HA -0.417 3.720 4.170 -0.055 0.000 0.240 103 I C 2.697 178.837 176.117 0.038 0.000 1.081 103 I CA 4.077 65.387 61.300 0.016 0.000 1.353 103 I CB 0.292 38.287 38.000 -0.008 0.000 1.054 103 I HN -0.314 7.961 8.210 0.109 0.000 0.407 104 Y N -1.441 118.952 120.300 0.154 0.000 2.421 104 Y HA -0.328 4.395 4.550 0.288 0.000 0.292 104 Y C 1.265 177.435 175.900 0.450 0.000 1.136 104 Y CA 3.873 62.153 58.100 0.301 0.000 1.255 104 Y CB -0.234 38.366 38.460 0.233 0.000 0.991 104 Y HN -0.590 7.940 8.280 0.417 0.000 0.552 105 L N -5.924 115.565 121.223 0.443 0.000 2.478 105 L HA -0.214 4.355 4.340 0.382 0.000 0.223 105 L C 0.732 177.703 176.870 0.168 0.000 1.140 105 L CA 0.803 55.839 54.840 0.326 0.000 0.842 105 L CB 0.107 42.317 42.059 0.251 0.000 0.953 105 L HN -0.562 7.861 8.230 0.371 0.029 0.452 106 G N -2.485 106.380 108.800 0.109 0.000 2.143 106 G HA2 -0.378 3.579 3.960 -0.005 0.000 0.249 106 G HA3 -0.378 3.607 3.960 0.042 0.000 0.249 106 G C 0.111 175.018 174.900 0.012 0.000 0.981 106 G CA 0.723 45.843 45.100 0.034 0.000 0.665 106 G HN -0.380 7.794 8.290 0.116 0.185 0.528 107 K N -0.114 120.301 120.400 0.025 0.000 2.116 107 K HA -0.181 4.145 4.320 0.009 0.000 0.203 107 K C 0.647 177.238 176.600 -0.016 0.000 1.052 107 K CA 1.497 57.791 56.287 0.011 0.000 0.952 107 K CB 0.513 33.029 32.500 0.027 0.000 0.729 107 K HN -0.478 7.754 8.250 0.050 0.047 0.446 108 I N -0.730 119.817 120.570 -0.038 0.000 2.321 108 I HA 0.029 4.163 4.170 -0.060 0.000 0.291 108 I C -0.275 175.761 176.117 -0.135 0.000 0.998 108 I CA -0.275 60.978 61.300 -0.078 0.000 1.227 108 I CB 0.687 38.637 38.000 -0.084 0.000 1.368 108 I HN -0.885 7.306 8.210 -0.030 0.000 0.466 109 K N 5.787 126.112 120.400 -0.126 0.000 2.367 109 K HA 0.090 4.314 4.320 -0.159 0.000 0.195 109 K C -0.864 175.626 176.600 -0.183 0.000 1.060 109 K CA 0.485 56.688 56.287 -0.140 0.000 1.022 109 K CB 1.384 33.838 32.500 -0.077 0.000 0.894 109 K HN 0.483 8.675 8.250 -0.097 0.000 0.540 110 K N -1.203 119.092 120.400 -0.175 0.000 2.375 110 K HA 0.434 4.821 4.320 -0.146 -0.155 0.249 110 K C 0.666 177.180 176.600 -0.144 0.000 0.942 110 K CA -1.470 54.738 56.287 -0.132 0.000 0.806 110 K CB 3.204 35.691 32.500 -0.022 0.000 1.227 110 K HN -0.715 7.445 8.250 -0.149 0.000 0.430 111 W N 2.806 124.121 121.300 0.024 0.000 2.525 111 W HA -0.315 4.365 4.660 0.034 0.000 0.259 111 W C -0.604 175.931 176.519 0.027 0.000 1.253 111 W CA 2.520 59.882 57.345 0.028 0.000 1.262 111 W CB 0.182 29.658 29.460 0.027 0.000 1.122 111 W HN 0.424 8.686 8.180 0.136 0.000 0.607 112 D N -6.432 114.090 120.400 0.203 0.000 2.427 112 D HA -0.048 4.684 4.640 0.154 0.000 0.224 112 D C -0.768 175.582 176.300 0.083 0.000 1.157 112 D CA -1.461 52.620 54.000 0.135 0.000 0.828 112 D CB -0.901 39.962 40.800 0.105 0.000 0.974 112 D HN -0.576 7.850 8.370 0.169 0.046 0.498 113 D N 0.975 121.411 120.400 0.060 0.000 2.506 113 D HA -0.249 4.404 4.640 0.022 0.000 0.234 113 D C 1.363 177.689 176.300 0.043 0.000 1.143 113 D CA 1.260 55.278 54.000 0.030 0.000 0.871 113 D CB 2.109 42.908 40.800 -0.003 0.000 1.190 113 D HN -0.767 7.565 8.370 0.058 0.073 0.459 114 E N 5.644 125.863 120.200 0.032 0.000 2.130 114 E HA -0.333 4.039 4.350 0.038 0.000 0.196 114 E C 1.099 177.722 176.600 0.037 0.000 0.998 114 E CA 2.684 59.104 56.400 0.033 0.000 0.806 114 E CB -0.469 29.246 29.700 0.024 0.000 0.738 114 E HN 0.547 8.922 8.360 0.025 0.000 0.459 115 A N -1.903 120.938 122.820 0.034 0.000 1.969 115 A HA -0.226 4.114 4.320 0.034 0.000 0.218 115 A C 2.286 179.904 177.584 0.057 0.000 1.169 115 A CA 2.750 54.809 52.037 0.038 0.000 0.635 115 A CB -0.403 18.614 19.000 0.030 0.000 0.810 115 A HN -0.046 8.432 8.150 0.027 -0.312 0.445 116 I N -0.958 119.657 120.570 0.074 0.000 2.286 116 I HA -0.513 3.728 4.170 0.118 0.000 0.245 116 I C 1.553 177.731 176.117 0.102 0.000 1.104 116 I CA 3.268 64.636 61.300 0.115 0.000 1.397 116 I CB 0.009 38.113 38.000 0.172 0.000 1.072 116 I HN -0.661 7.571 8.210 0.064 0.016 0.417 117 A N -1.004 121.866 122.820 0.084 0.000 1.940 117 A HA -0.275 4.090 4.320 0.075 0.000 0.219 117 A C 2.261 179.878 177.584 0.055 0.000 1.176 117 A CA 2.979 55.057 52.037 0.069 0.000 0.631 117 A CB -0.435 18.599 19.000 0.057 0.000 0.814 117 A HN -0.169 8.029 8.150 0.080 0.000 0.446 118 K N -1.456 118.974 120.400 0.049 0.000 2.147 118 K HA -0.268 4.073 4.320 0.036 0.000 0.205 118 K C 1.281 177.907 176.600 0.043 0.000 1.049 118 K CA 2.532 58.843 56.287 0.040 0.000 0.936 118 K CB -0.517 32.003 32.500 0.034 0.000 0.722 118 K HN -0.272 8.008 8.250 0.050 0.000 0.446 119 L N -2.555 118.700 121.223 0.054 0.000 2.395 119 L HA -0.116 4.253 4.340 0.048 0.000 0.218 119 L C 0.290 177.194 176.870 0.058 0.000 1.130 119 L CA 1.151 56.025 54.840 0.057 0.000 0.826 119 L CB 0.123 42.226 42.059 0.072 0.000 0.941 119 L HN -0.489 7.758 8.230 0.060 0.019 0.451 120 N N -3.414 115.321 118.700 0.058 0.000 2.679 120 N HA 0.412 5.181 4.740 0.049 0.000 0.302 120 N C -1.287 174.248 175.510 0.042 0.000 1.941 120 N CA -1.547 51.535 53.050 0.053 0.000 0.875 120 N CB 1.483 40.008 38.487 0.064 0.000 1.278 120 N HN -0.524 7.701 8.380 0.059 0.191 0.490 121 P HA 0.078 4.517 4.420 0.031 0.000 0.220 121 P C 0.411 177.726 177.300 0.025 0.000 1.148 121 P CA 1.767 64.885 63.100 0.029 0.000 0.803 121 P CB 0.323 32.038 31.700 0.025 0.000 0.782 122 G N -3.681 105.133 108.800 0.023 0.000 3.337 122 G HA2 0.079 4.050 3.960 0.017 0.000 0.246 122 G HA3 0.079 4.048 3.960 0.015 0.000 0.246 122 G C -0.668 174.242 174.900 0.016 0.000 1.131 122 G CA -0.762 44.349 45.100 0.018 0.000 0.773 122 G HN -0.218 8.077 8.290 0.024 0.010 0.544 123 L N 0.692 121.928 121.223 0.021 0.000 2.312 123 L HA 0.097 4.442 4.340 0.009 0.000 0.281 123 L C -0.379 176.503 176.870 0.021 0.000 1.070 123 L CA -0.452 54.398 54.840 0.017 0.000 0.805 123 L CB 1.020 43.090 42.059 0.019 0.000 1.174 123 L HN -0.776 7.408 8.230 0.026 0.061 0.434 124 K N 3.504 123.912 120.400 0.013 0.000 2.316 124 K HA 0.023 4.357 4.320 0.024 0.000 0.289 124 K C -0.820 175.792 176.600 0.020 0.000 1.070 124 K CA -0.809 55.488 56.287 0.018 0.000 0.928 124 K CB -0.381 32.125 32.500 0.011 0.000 1.039 124 K HN 0.194 8.448 8.250 0.007 0.000 0.480 125 L N 5.276 126.523 121.223 0.040 0.000 2.322 125 L HA 0.400 4.765 4.340 0.042 0.000 0.279 125 L C -1.413 175.499 176.870 0.070 0.000 1.036 125 L CA -2.683 52.195 54.840 0.062 0.000 0.807 125 L CB 0.247 42.370 42.059 0.108 0.000 1.226 125 L HN 0.086 8.343 8.230 0.044 0.000 0.433 126 P HA 0.200 4.656 4.420 0.059 0.000 0.284 126 P C -0.845 176.531 177.300 0.126 0.000 1.258 126 P CA -0.865 62.284 63.100 0.081 0.000 0.824 126 P CB 1.050 32.784 31.700 0.057 0.000 1.038 127 S N 1.797 117.553 115.700 0.095 0.000 3.456 127 S HA -0.070 4.702 4.470 0.102 -0.241 0.229 127 S C -1.018 173.645 174.600 0.105 0.000 1.416 127 S CA -0.105 58.151 58.200 0.093 0.000 1.197 127 S CB -0.879 62.356 63.200 0.059 0.000 1.201 127 S HN 0.274 8.628 8.310 0.073 0.000 0.479 128 Q N 1.221 121.123 119.800 0.169 0.000 2.256 128 Q HA 0.047 4.470 4.340 0.139 0.000 0.254 128 Q C -1.158 174.959 176.000 0.195 0.000 0.916 128 Q CA -1.237 54.687 55.803 0.201 0.000 0.932 128 Q CB 1.375 30.280 28.738 0.279 0.000 1.207 128 Q HN -0.708 7.585 8.270 0.212 0.105 0.426 129 N N 5.780 124.545 118.700 0.110 0.000 2.412 129 N HA -0.128 4.743 4.740 -0.020 -0.143 0.254 129 N C 0.124 175.650 175.510 0.026 0.000 1.232 129 N CA 0.969 54.037 53.050 0.031 0.000 0.880 129 N CB 0.324 38.827 38.487 0.026 0.000 1.076 129 N HN 0.441 8.881 8.380 0.099 0.000 0.458 130 I N 1.397 121.848 120.570 -0.199 0.000 2.471 130 I HA -0.118 4.117 4.170 -0.169 -0.167 0.286 130 I C -0.049 176.011 176.117 -0.094 0.000 1.079 130 I CA 0.647 61.766 61.300 -0.302 0.000 1.398 130 I CB 0.098 37.688 38.000 -0.684 0.000 1.403 130 I HN -0.103 7.963 8.210 -0.241 0.000 0.530 131 A N 9.828 132.669 122.820 0.035 0.000 2.412 131 A HA 0.371 4.684 4.320 -0.012 0.000 0.334 131 A C -1.258 176.315 177.584 -0.018 0.000 1.419 131 A CA -1.532 50.518 52.037 0.023 0.000 0.930 131 A CB 0.417 19.467 19.000 0.083 0.000 1.149 131 A HN 0.319 8.448 8.150 0.146 0.109 0.515 132 V N 5.672 125.513 119.914 -0.120 0.000 2.637 132 V HA 0.099 4.197 4.120 -0.238 -0.121 0.296 132 V C -0.678 175.301 176.094 -0.191 0.000 1.046 132 V CA 0.580 62.738 62.300 -0.237 0.000 1.066 132 V CB 0.426 32.010 31.823 -0.399 0.000 0.968 132 V HN 0.376 8.492 8.190 -0.124 0.000 0.483 133 V N 6.314 126.114 119.914 -0.189 0.000 2.604 133 V HA 0.612 4.670 4.120 -0.359 -0.153 0.305 133 V C -1.328 174.578 176.094 -0.313 0.000 1.043 133 V CA -1.950 60.177 62.300 -0.289 0.000 0.888 133 V CB 1.937 33.592 31.823 -0.280 0.000 0.995 133 V HN 0.465 8.567 8.190 -0.146 0.000 0.429 134 R N 3.495 123.688 120.500 -0.512 0.000 2.846 134 R HA 0.453 4.352 4.340 -0.735 0.000 0.263 134 R C -1.769 174.121 176.300 -0.684 0.000 1.080 134 R CA -2.641 53.039 56.100 -0.700 0.000 0.961 134 R CB 2.128 31.744 30.300 -1.140 0.000 1.231 134 R HN 0.951 8.893 8.270 -0.547 0.000 0.465 135 R N -0.650 119.540 120.500 -0.517 0.000 2.357 135 R HA 0.367 4.700 4.340 -0.309 -0.179 0.296 135 R C 0.321 176.544 176.300 -0.127 0.000 1.052 135 R CA -1.770 54.185 56.100 -0.241 0.000 0.988 135 R CB 0.440 30.752 30.300 0.019 0.000 1.025 135 R HN -0.190 7.827 8.270 -0.423 0.000 0.469 136 A N 3.627 126.390 122.820 -0.095 0.000 1.935 136 A HA -0.087 4.239 4.320 0.009 0.000 0.214 136 A C -0.328 177.299 177.584 0.073 0.000 1.178 136 A CA 1.576 53.608 52.037 -0.007 0.000 0.640 136 A CB 0.449 19.432 19.000 -0.028 0.000 0.825 136 A HN 0.543 8.505 8.150 -0.134 0.108 0.447 137 D N -1.570 118.868 120.400 0.065 0.000 2.312 137 D HA 0.003 4.694 4.640 0.085 0.000 0.248 137 D C -0.178 176.202 176.300 0.133 0.000 1.086 137 D CA -0.988 53.063 54.000 0.085 0.000 0.948 137 D CB 0.908 41.741 40.800 0.056 0.000 1.162 137 D HN -0.559 7.830 8.370 0.032 0.000 0.446 138 G N -2.338 106.537 108.800 0.124 0.000 2.334 138 G HA2 -0.095 4.122 3.960 0.179 0.000 0.261 138 G HA3 -0.095 3.936 3.960 0.118 0.000 0.261 138 G C -0.951 174.037 174.900 0.147 0.000 1.257 138 G CA 0.132 45.319 45.100 0.144 0.000 0.935 138 G HN 0.161 8.511 8.290 0.102 0.000 0.480 139 S N 4.388 120.207 115.700 0.198 0.000 2.548 139 S HA 0.309 4.880 4.470 0.168 0.000 0.276 139 S C 0.540 175.285 174.600 0.241 0.000 1.129 139 S CA -1.462 56.864 58.200 0.210 0.000 0.931 139 S CB 2.317 65.668 63.200 0.251 0.000 1.068 139 S HN -0.346 8.101 8.310 0.227 0.000 0.480 140 G N 4.875 113.791 108.800 0.194 0.000 2.403 140 G HA2 -0.191 3.899 3.960 0.216 0.000 0.216 140 G HA3 -0.191 3.977 3.960 0.113 -0.139 0.216 140 G C 0.545 175.593 174.900 0.248 0.000 1.154 140 G CA 2.122 47.336 45.100 0.190 0.000 0.784 140 G HN 0.750 9.139 8.290 0.164 0.000 0.538 141 D N 1.974 122.538 120.400 0.272 0.000 2.123 141 D HA -0.295 4.540 4.640 0.326 0.000 0.196 141 D C 2.368 178.878 176.300 0.350 0.000 0.992 141 D CA 4.381 58.591 54.000 0.351 0.000 0.833 141 D CB -0.067 40.980 40.800 0.413 0.000 0.954 141 D HN -0.428 8.095 8.370 0.254 0.000 0.455 142 S N 0.970 116.926 115.700 0.426 0.000 2.368 142 S HA -0.329 4.327 4.470 0.310 0.000 0.225 142 S C 1.844 176.619 174.600 0.291 0.000 1.030 142 S CA 2.994 61.443 58.200 0.416 0.000 0.999 142 S CB 0.027 63.575 63.200 0.580 0.000 0.844 142 S HN -0.490 8.080 8.310 0.432 0.000 0.459 143 F N 3.830 123.880 119.950 0.167 0.000 2.095 143 F HA -0.302 4.434 4.527 0.092 -0.154 0.298 143 F C 1.537 177.385 175.800 0.080 0.000 1.104 143 F CA 3.314 61.376 58.000 0.103 0.000 1.232 143 F CB 0.234 39.281 39.000 0.079 0.000 0.987 143 F HN -0.459 8.033 8.300 0.441 0.072 0.475 144 V N -1.184 118.827 119.914 0.161 0.000 2.307 144 V HA -0.527 3.594 4.120 0.003 0.000 0.245 144 V C 1.917 178.014 176.094 0.005 0.000 1.045 144 V CA 4.160 66.502 62.300 0.069 0.000 1.024 144 V CB -0.771 31.148 31.823 0.160 0.000 0.651 144 V HN -0.006 8.363 8.190 0.299 0.000 0.449 145 F N 0.520 120.381 119.950 -0.149 0.000 2.102 145 F HA -0.343 4.061 4.527 -0.206 0.000 0.298 145 F C 1.428 177.048 175.800 -0.300 0.000 1.105 145 F CA 4.006 61.836 58.000 -0.283 0.000 1.239 145 F CB 0.214 38.821 39.000 -0.655 0.000 0.991 145 F HN 0.332 8.734 8.300 0.170 0.000 0.474 146 T N -1.817 112.594 114.554 -0.238 0.000 2.951 146 T HA -0.351 3.691 4.350 -0.513 0.000 0.268 146 T C 2.306 176.826 174.700 -0.300 0.000 1.073 146 T CA 4.149 66.081 62.100 -0.280 0.000 1.134 146 T CB -0.789 68.074 68.868 -0.009 0.000 0.884 146 T HN 0.181 8.385 8.240 -0.061 0.000 0.479 147 S N 4.028 119.519 115.700 -0.348 0.000 2.368 147 S HA -0.258 4.019 4.470 -0.322 0.000 0.225 147 S C 1.510 175.964 174.600 -0.243 0.000 1.030 147 S CA 4.173 62.174 58.200 -0.332 0.000 0.999 147 S CB -0.374 62.588 63.200 -0.396 0.000 0.844 147 S HN -0.345 7.743 8.310 -0.370 0.000 0.459 148 Y N 3.151 123.234 120.300 -0.362 0.000 2.114 148 Y HA -0.339 4.043 4.550 -0.280 0.000 0.284 148 Y C 1.368 177.002 175.900 -0.444 0.000 1.143 148 Y CA 3.115 60.994 58.100 -0.368 0.000 1.135 148 Y CB 0.026 38.253 38.460 -0.387 0.000 0.980 148 Y HN -0.546 7.645 8.280 -0.149 0.000 0.499 149 L N -2.639 118.105 121.223 -0.798 0.000 2.079 149 L HA -0.529 3.216 4.340 -0.991 0.000 0.210 149 L C 2.177 178.711 176.870 -0.560 0.000 1.081 149 L CA 2.761 57.036 54.840 -0.942 0.000 0.752 149 L CB -0.427 40.732 42.059 -1.500 0.000 0.896 149 L HN -0.106 7.680 8.230 -0.740 0.000 0.433 150 A N -3.981 118.652 122.820 -0.310 0.000 2.019 150 A HA -0.240 4.107 4.320 0.045 0.000 0.219 150 A C 1.088 178.563 177.584 -0.181 0.000 1.164 150 A CA 2.437 54.418 52.037 -0.092 0.000 0.644 150 A CB -0.429 18.549 19.000 -0.036 0.000 0.805 150 A HN -0.270 7.679 8.150 -0.335 0.000 0.449 151 K N -3.516 116.711 120.400 -0.290 0.000 2.155 151 K HA -0.160 4.049 4.320 -0.184 0.000 0.203 151 K C 0.883 177.310 176.600 -0.289 0.000 1.052 151 K CA 2.262 58.391 56.287 -0.263 0.000 0.948 151 K CB 0.240 32.579 32.500 -0.268 0.000 0.728 151 K HN -0.561 7.354 8.250 -0.359 0.121 0.448 152 V N -8.449 111.217 119.914 -0.414 0.000 3.605 152 V HA 0.207 4.163 4.120 -0.273 0.000 0.284 152 V C -0.754 175.196 176.094 -0.241 0.000 1.386 152 V CA -0.568 61.511 62.300 -0.367 0.000 1.053 152 V CB 1.363 32.849 31.823 -0.562 0.000 0.857 152 V HN -0.685 7.056 8.190 -0.506 0.145 0.436 153 N N 1.076 119.661 118.700 -0.192 0.000 2.558 153 N HA 0.169 4.868 4.740 -0.069 0.000 0.285 153 N C -0.182 175.323 175.510 -0.009 0.000 1.112 153 N CA -0.203 52.801 53.050 -0.078 0.000 0.857 153 N CB 2.047 40.499 38.487 -0.057 0.000 1.376 153 N HN -0.535 7.716 8.380 -0.214 0.000 0.526 154 E N 6.729 126.918 120.200 -0.018 0.000 2.106 154 E HA -0.386 3.950 4.350 -0.025 0.000 0.192 154 E C 1.355 177.956 176.600 0.003 0.000 0.984 154 E CA 3.685 60.075 56.400 -0.016 0.000 0.806 154 E CB 0.051 29.734 29.700 -0.027 0.000 0.750 154 E HN 0.558 8.901 8.360 -0.028 0.000 0.458 155 E N 0.439 120.651 120.200 0.020 0.000 2.085 155 E HA -0.312 4.027 4.350 -0.018 0.000 0.194 155 E C 1.815 178.421 176.600 0.011 0.000 0.994 155 E CA 2.768 59.175 56.400 0.013 0.000 0.801 155 E CB -0.129 29.587 29.700 0.027 0.000 0.743 155 E HN -0.374 8.057 8.360 0.023 -0.057 0.453 156 W N 0.453 121.703 121.300 -0.084 0.000 2.355 156 W HA -0.372 4.238 4.660 -0.082 0.000 0.309 156 W C 1.557 178.000 176.519 -0.127 0.000 1.206 156 W CA 3.852 61.136 57.345 -0.103 0.000 1.284 156 W CB 0.209 29.590 29.460 -0.132 0.000 1.145 156 W HN -0.096 8.533 8.180 0.222 -0.315 0.502 157 K N -0.641 119.820 120.400 0.101 0.000 2.044 157 K HA -0.538 3.810 4.320 0.045 0.000 0.210 157 K C 2.657 179.197 176.600 -0.098 0.000 1.049 157 K CA 3.684 59.974 56.287 0.005 0.000 0.927 157 K CB -0.250 32.242 32.500 -0.013 0.000 0.713 157 K HN -0.314 8.024 8.250 0.147 0.000 0.443 158 N N -2.869 115.773 118.700 -0.097 0.000 2.416 158 N HA -0.089 4.593 4.740 -0.095 0.000 0.177 158 N C 1.487 176.908 175.510 -0.149 0.000 1.036 158 N CA 2.164 55.151 53.050 -0.105 0.000 0.901 158 N CB 0.063 38.505 38.487 -0.075 0.000 0.976 158 N HN -0.223 8.100 8.380 -0.072 0.014 0.444 159 N N -2.766 115.804 118.700 -0.216 0.000 2.463 159 N HA 0.027 4.652 4.740 -0.193 0.000 0.183 159 N C 0.603 175.887 175.510 -0.376 0.000 1.064 159 N CA 1.692 54.592 53.050 -0.249 0.000 0.879 159 N CB 2.486 40.843 38.487 -0.216 0.000 1.148 159 N HN -0.410 7.830 8.380 -0.233 0.000 0.451 160 V N -3.182 116.373 119.914 -0.599 0.000 2.911 160 V HA 0.208 3.960 4.120 -0.614 0.000 0.237 160 V C 0.655 176.408 176.094 -0.568 0.000 1.156 160 V CA 0.543 62.361 62.300 -0.803 0.000 1.180 160 V CB 1.678 32.497 31.823 -1.672 0.000 0.932 160 V HN -0.289 7.527 8.190 -0.623 0.000 0.483 161 G N -0.524 107.986 108.800 -0.483 0.000 2.593 161 G HA2 -0.351 3.630 3.960 -0.138 0.000 0.237 161 G HA3 -0.351 3.496 3.960 -0.188 0.000 0.237 161 G C -2.129 172.723 174.900 -0.079 0.000 1.312 161 G CA 0.031 45.007 45.100 -0.206 0.000 0.896 161 G HN -0.065 7.863 8.290 -0.604 0.000 0.574 162 T N 2.344 116.848 114.554 -0.083 0.000 2.856 162 T HA 0.164 4.464 4.350 -0.083 0.000 0.283 162 T C -0.472 174.194 174.700 -0.057 0.000 1.008 162 T CA -0.682 61.352 62.100 -0.109 0.000 0.997 162 T CB 1.739 70.478 68.868 -0.216 0.000 0.992 162 T HN 0.052 8.238 8.240 -0.089 0.000 0.454 163 G N 2.882 111.675 108.800 -0.012 0.000 2.368 163 G HA2 0.241 4.401 3.960 0.333 0.000 0.293 163 G HA3 0.241 4.266 3.960 0.109 0.000 0.293 163 G C -1.137 173.937 174.900 0.290 0.000 1.467 163 G CA -0.280 44.929 45.100 0.182 0.000 0.804 163 G HN 0.062 8.314 8.290 -0.064 0.000 0.535 164 S N -0.090 115.823 115.700 0.354 0.000 2.453 164 S HA -0.056 4.792 4.470 0.368 -0.158 0.231 164 S C -0.517 174.240 174.600 0.261 0.000 1.005 164 S CA 2.043 60.424 58.200 0.302 0.000 0.949 164 S CB 0.575 63.896 63.200 0.201 0.000 0.774 164 S HN 0.267 8.782 8.310 0.341 0.000 0.510 165 T N -0.137 114.532 114.554 0.192 0.000 2.921 165 T HA 0.288 4.806 4.350 0.279 0.000 0.297 165 T C -1.791 172.923 174.700 0.022 0.000 1.013 165 T CA -0.412 61.792 62.100 0.173 0.000 0.990 165 T CB 1.883 70.838 68.868 0.144 0.000 1.023 165 T HN -0.758 7.545 8.240 0.160 0.033 0.447 166 V N 1.675 121.506 119.914 -0.139 0.000 3.167 166 V HA 0.438 4.421 4.120 -0.229 0.000 0.310 166 V C -1.862 173.998 176.094 -0.390 0.000 1.207 166 V CA -2.699 59.380 62.300 -0.370 0.000 1.059 166 V CB 2.436 33.893 31.823 -0.611 0.000 1.079 166 V HN 0.092 8.241 8.190 -0.068 0.000 0.446 167 K N 2.259 122.457 120.400 -0.337 0.000 2.150 167 K HA 0.006 4.287 4.320 -0.066 0.000 0.261 167 K C -0.440 176.032 176.600 -0.213 0.000 1.127 167 K CA -0.873 55.302 56.287 -0.186 0.000 0.989 167 K CB -0.913 31.507 32.500 -0.134 0.000 1.475 167 K HN 0.123 8.167 8.250 -0.343 0.000 0.391 168 W N 5.513 126.846 121.300 0.055 0.000 2.322 168 W HA -0.048 4.704 4.660 0.152 0.000 0.328 168 W C -1.084 175.472 176.519 0.061 0.000 1.395 168 W CA -1.408 56.009 57.345 0.121 0.000 1.267 168 W CB -0.685 28.897 29.460 0.203 0.000 1.259 168 W HN -0.328 7.924 8.180 0.121 0.000 0.560 169 P HA -0.136 4.325 4.420 0.068 0.000 0.216 169 P C -0.774 176.632 177.300 0.177 0.000 1.150 169 P CA 0.892 64.078 63.100 0.143 0.000 0.837 169 P CB 0.443 32.212 31.700 0.116 0.000 0.786 170 I N -4.819 115.902 120.570 0.253 0.000 2.984 170 I HA 0.031 4.270 4.170 0.115 0.000 0.303 170 I C -2.135 174.062 176.117 0.133 0.000 1.381 170 I CA -0.156 61.232 61.300 0.147 0.000 0.988 170 I CB 3.003 41.048 38.000 0.075 0.000 1.307 170 I HN -0.529 7.881 8.210 0.377 0.026 0.460 171 G N 4.108 112.922 108.800 0.023 0.000 2.653 171 G HA2 -0.107 3.980 3.960 -0.114 0.000 0.656 171 G HA3 -0.107 3.793 3.960 -0.101 0.000 0.656 171 G C -2.430 172.392 174.900 -0.130 0.000 1.419 171 G CA -0.554 44.495 45.100 -0.084 0.000 0.862 171 G HN -0.009 8.294 8.290 0.022 0.000 0.639 172 L N 1.017 122.126 121.223 -0.190 0.000 2.417 172 L HA 0.087 4.343 4.340 -0.141 0.000 0.268 172 L C -0.025 176.578 176.870 -0.446 0.000 1.158 172 L CA -0.142 54.550 54.840 -0.247 0.000 0.819 172 L CB 0.719 42.647 42.059 -0.218 0.000 1.112 172 L HN 0.428 8.547 8.230 -0.184 0.000 0.458 173 G N -0.079 108.500 108.800 -0.368 0.000 2.319 173 G HA2 0.338 4.212 3.960 -0.431 0.000 0.308 173 G HA3 0.338 4.163 3.960 -0.225 0.000 0.308 173 G C -0.856 173.755 174.900 -0.482 0.000 1.117 173 G CA -0.886 43.989 45.100 -0.375 0.000 0.903 173 G HN 0.103 8.253 8.290 -0.233 0.000 0.436 174 G N 3.328 111.800 108.800 -0.547 0.000 2.388 174 G HA2 0.241 4.075 3.960 -0.210 0.000 0.330 174 G HA3 0.241 3.936 3.960 -0.441 0.000 0.330 174 G C -1.831 172.972 174.900 -0.161 0.000 1.142 174 G CA -1.273 43.609 45.100 -0.363 0.000 0.908 174 G HN 0.389 8.348 8.290 -0.552 0.000 0.473 175 K N 5.899 126.279 120.400 -0.033 0.000 2.262 175 K HA 0.034 4.493 4.320 -0.028 -0.156 0.282 175 K C 0.269 176.848 176.600 -0.035 0.000 1.066 175 K CA -0.932 55.345 56.287 -0.018 0.000 0.901 175 K CB 0.651 33.165 32.500 0.022 0.000 1.089 175 K HN 0.303 8.575 8.250 0.037 0.000 0.476 176 G N 7.382 116.148 108.800 -0.056 0.000 2.860 176 G HA2 -0.465 3.458 3.960 -0.063 0.000 0.553 176 G HA3 -0.465 3.458 3.960 -0.062 0.000 0.553 176 G C 0.313 175.095 174.900 -0.196 0.000 1.439 176 G CA -0.445 44.604 45.100 -0.086 0.000 0.879 176 G HN 0.196 8.878 8.290 -0.044 -0.418 0.545 177 N N 0.729 119.225 118.700 -0.342 0.000 2.104 177 N HA -0.363 4.083 4.740 -0.490 0.000 0.190 177 N C 1.212 176.432 175.510 -0.483 0.000 1.024 177 N CA 3.962 56.628 53.050 -0.640 0.000 0.853 177 N CB 0.136 37.738 38.487 -1.474 0.000 1.008 177 N HN -0.109 8.091 8.380 -0.299 0.000 0.424 178 D N -0.139 120.095 120.400 -0.277 0.000 2.123 178 D HA -0.229 4.465 4.640 0.090 0.000 0.196 178 D C 1.911 178.212 176.300 0.002 0.000 0.992 178 D CA 3.110 57.109 54.000 -0.003 0.000 0.833 178 D CB -0.511 40.346 40.800 0.094 0.000 0.954 178 D HN 0.141 8.349 8.370 -0.269 0.000 0.455 179 G N -0.518 108.273 108.800 -0.014 0.000 2.402 179 G HA2 -0.216 3.817 3.960 0.121 0.000 0.216 179 G HA3 -0.216 3.896 3.960 0.071 -0.109 0.216 179 G C 1.288 176.250 174.900 0.104 0.000 1.162 179 G CA 1.781 46.928 45.100 0.077 0.000 0.777 179 G HN -0.502 7.671 8.290 -0.051 0.086 0.539 180 I N 2.542 123.062 120.570 -0.083 0.000 2.226 180 I HA -0.557 3.527 4.170 -0.143 0.000 0.245 180 I C 1.536 177.647 176.117 -0.011 0.000 1.100 180 I CA 3.852 65.071 61.300 -0.134 0.000 1.374 180 I CB -0.258 37.542 38.000 -0.333 0.000 1.057 180 I HN -0.579 7.540 8.210 -0.152 0.000 0.413 181 A N -1.124 121.686 122.820 -0.016 0.000 1.908 181 A HA -0.386 3.951 4.320 0.029 0.000 0.218 181 A C 1.718 179.340 177.584 0.064 0.000 1.181 181 A CA 3.279 55.337 52.037 0.036 0.000 0.627 181 A CB -1.065 17.978 19.000 0.072 0.000 0.818 181 A HN -0.109 8.004 8.150 -0.062 0.000 0.445 182 A N -1.710 121.157 122.820 0.078 0.000 1.930 182 A HA -0.220 4.113 4.320 0.021 0.000 0.217 182 A C 2.043 179.653 177.584 0.043 0.000 1.175 182 A CA 2.739 54.803 52.037 0.044 0.000 0.627 182 A CB -0.678 18.333 19.000 0.019 0.000 0.815 182 A HN -0.363 7.836 8.150 0.082 0.000 0.443 183 F N -1.402 118.523 119.950 -0.042 0.000 2.102 183 F HA -0.370 4.138 4.527 -0.031 0.000 0.298 183 F C 1.943 177.728 175.800 -0.025 0.000 1.105 183 F CA 4.264 62.240 58.000 -0.039 0.000 1.239 183 F CB 0.044 39.008 39.000 -0.061 0.000 0.991 183 F HN -0.561 7.957 8.300 0.365 0.000 0.474 184 V N -2.141 117.871 119.914 0.164 0.000 2.343 184 V HA -0.430 3.758 4.120 0.114 0.000 0.247 184 V C 2.478 178.607 176.094 0.059 0.000 1.051 184 V CA 3.649 66.008 62.300 0.099 0.000 1.036 184 V CB -0.775 31.090 31.823 0.071 0.000 0.654 184 V HN -0.169 8.117 8.190 0.160 0.000 0.451 185 Q N 0.484 120.307 119.800 0.038 0.000 2.135 185 Q HA -0.228 4.117 4.340 0.008 0.000 0.204 185 Q C 1.715 177.713 176.000 -0.003 0.000 0.981 185 Q CA 2.508 58.317 55.803 0.010 0.000 0.856 185 Q CB -0.021 28.718 28.738 0.001 0.000 0.902 185 Q HN -0.451 7.846 8.270 0.045 0.000 0.425 186 R N -3.936 116.555 120.500 -0.016 0.000 2.276 186 R HA 0.032 4.351 4.340 -0.035 0.000 0.196 186 R C 0.192 176.484 176.300 -0.015 0.000 0.961 186 R CA 0.940 57.016 56.100 -0.040 0.000 1.024 186 R CB 0.721 30.961 30.300 -0.100 0.000 0.940 186 R HN -0.584 7.679 8.270 -0.011 0.000 0.480 187 L N 1.437 122.674 121.223 0.024 0.000 2.324 187 L HA 0.542 4.903 4.340 0.035 0.000 0.274 187 L C -2.417 174.490 176.870 0.063 0.000 1.012 187 L CA -3.297 51.574 54.840 0.052 0.000 0.859 187 L CB 0.689 42.808 42.059 0.100 0.000 1.224 187 L HN -0.675 7.531 8.230 0.037 0.046 0.429 188 P HA -0.370 4.231 4.420 0.037 -0.160 0.262 188 P C 0.587 177.954 177.300 0.112 0.000 1.182 188 P CA 0.886 64.020 63.100 0.056 0.000 0.761 188 P CB -0.052 31.673 31.700 0.042 0.000 0.795 189 G N 3.065 111.953 108.800 0.147 0.000 2.176 189 G HA2 -0.477 3.770 3.960 0.411 0.000 0.253 189 G HA3 -0.477 3.873 3.960 0.363 -0.172 0.253 189 G C -0.292 174.876 174.900 0.446 0.000 0.979 189 G CA -0.079 45.236 45.100 0.358 0.000 0.641 189 G HN 0.501 8.839 8.290 0.080 0.000 0.530 190 A N 0.591 123.560 122.820 0.248 0.000 2.425 190 A HA 0.389 5.075 4.320 0.204 -0.243 0.242 190 A C -1.663 176.104 177.584 0.305 0.000 1.077 190 A CA -0.160 52.012 52.037 0.224 0.000 0.781 190 A CB 1.486 20.575 19.000 0.147 0.000 1.020 190 A HN -0.323 7.875 8.150 0.172 0.055 0.494 191 I N 0.630 121.362 120.570 0.270 0.000 2.533 191 I HA 0.871 5.414 4.170 0.284 -0.203 0.290 191 I C -1.974 174.245 176.117 0.169 0.000 1.056 191 I CA -2.186 59.290 61.300 0.292 0.000 1.057 191 I CB 4.184 42.448 38.000 0.441 0.000 1.240 191 I HN -0.100 8.223 8.210 0.189 0.000 0.423 192 G N 5.868 114.754 108.800 0.142 0.000 2.706 192 G HA2 0.588 4.738 3.960 0.028 0.000 0.297 192 G HA3 0.588 4.485 3.960 -0.105 0.000 0.297 192 G C -2.952 171.923 174.900 -0.041 0.000 1.403 192 G CA -0.556 44.542 45.100 -0.003 0.000 0.954 192 G HN 0.249 8.636 8.290 0.163 0.000 0.500 193 Y N 1.133 121.301 120.300 -0.221 0.000 2.327 193 Y HA 0.880 5.538 4.550 -0.192 -0.224 0.336 193 Y C -1.101 174.681 175.900 -0.197 0.000 1.035 193 Y CA -2.200 55.702 58.100 -0.330 0.000 1.165 193 Y CB 1.067 38.962 38.460 -0.941 0.000 1.181 193 Y HN -0.187 7.758 8.280 -0.558 0.000 0.494 194 V N -4.129 115.773 119.914 -0.020 0.000 3.049 194 V HA 0.665 4.873 4.120 -0.115 -0.157 0.309 194 V C -1.099 175.005 176.094 0.017 0.000 1.148 194 V CA -3.447 58.819 62.300 -0.058 0.000 0.990 194 V CB 3.878 35.654 31.823 -0.077 0.000 1.039 194 V HN 0.276 8.499 8.190 0.055 0.000 0.430 195 E N 2.380 122.572 120.200 -0.012 0.000 2.413 195 E HA -0.066 4.343 4.350 -0.198 -0.178 0.263 195 E C 1.057 177.599 176.600 -0.097 0.000 1.015 195 E CA -0.082 56.229 56.400 -0.147 0.000 0.916 195 E CB 0.863 30.334 29.700 -0.382 0.000 0.947 195 E HN -0.209 8.416 8.360 -0.041 -0.290 0.440 196 Y N 8.866 128.932 120.300 -0.389 0.000 2.151 196 Y HA -0.528 3.838 4.550 -0.307 0.000 0.284 196 Y C 0.895 176.620 175.900 -0.291 0.000 1.166 196 Y CA 3.865 61.755 58.100 -0.351 0.000 1.163 196 Y CB 0.162 38.400 38.460 -0.370 0.000 0.974 196 Y HN 0.421 8.514 8.280 -0.313 0.000 0.511 197 A N -1.834 120.712 122.820 -0.456 0.000 1.978 197 A HA -0.389 3.581 4.320 -0.583 0.000 0.220 197 A C 1.895 179.220 177.584 -0.432 0.000 1.170 197 A CA 2.773 54.501 52.037 -0.516 0.000 0.636 197 A CB -0.922 17.781 19.000 -0.495 0.000 0.810 197 A HN -0.145 8.030 8.150 -0.450 -0.295 0.448 198 Y N -4.080 116.068 120.300 -0.254 0.000 2.439 198 Y HA -0.297 4.172 4.550 -0.136 0.000 0.292 198 Y C 1.727 177.531 175.900 -0.159 0.000 1.130 198 Y CA 3.054 61.055 58.100 -0.165 0.000 1.254 198 Y CB -0.349 38.043 38.460 -0.114 0.000 1.000 198 Y HN -0.382 7.871 8.280 -0.010 0.021 0.554 199 A N -1.511 121.259 122.820 -0.083 0.000 1.855 199 A HA -0.283 4.039 4.320 0.003 0.000 0.213 199 A C 1.013 178.505 177.584 -0.152 0.000 1.195 199 A CA 2.458 54.450 52.037 -0.074 0.000 0.610 199 A CB -0.028 18.952 19.000 -0.033 0.000 0.837 199 A HN -0.396 7.556 8.150 -0.134 0.118 0.444 200 K N -0.849 119.308 120.400 -0.405 0.000 2.026 200 K HA -0.346 3.855 4.320 -0.198 0.000 0.208 200 K C 2.992 179.466 176.600 -0.211 0.000 1.048 200 K CA 3.092 59.169 56.287 -0.350 0.000 0.929 200 K CB -0.026 32.092 32.500 -0.637 0.000 0.713 200 K HN -0.224 7.652 8.250 -0.622 0.000 0.439 201 Q N -2.910 116.751 119.800 -0.232 0.000 2.369 201 Q HA -0.105 4.148 4.340 -0.144 0.000 0.206 201 Q C 1.191 177.127 176.000 -0.107 0.000 0.963 201 Q CA 1.792 57.495 55.803 -0.167 0.000 0.894 201 Q CB -0.264 28.351 28.738 -0.205 0.000 0.965 201 Q HN -0.232 7.861 8.270 -0.296 0.000 0.475 202 N N -2.997 115.652 118.700 -0.085 0.000 2.230 202 N HA 0.058 4.776 4.740 -0.037 0.000 0.202 202 N C -1.244 174.247 175.510 -0.032 0.000 1.119 202 N CA -0.071 52.955 53.050 -0.039 0.000 0.851 202 N CB 0.388 38.872 38.487 -0.005 0.000 0.990 202 N HN -0.764 7.515 8.380 -0.102 0.041 0.497 203 N N -2.967 115.707 118.700 -0.043 0.000 2.740 203 N HA -0.466 4.254 4.740 -0.033 0.000 0.248 203 N C -1.559 173.939 175.510 -0.020 0.000 1.062 203 N CA 1.206 54.237 53.050 -0.032 0.000 0.704 203 N CB -2.260 36.207 38.487 -0.033 0.000 0.968 203 N HN -0.342 7.822 8.380 -0.062 0.179 0.547 204 L N -1.035 120.188 121.223 0.001 0.000 2.325 204 L HA 0.082 4.421 4.340 -0.002 0.000 0.279 204 L C -0.885 176.003 176.870 0.031 0.000 1.054 204 L CA -0.675 54.175 54.840 0.018 0.000 0.804 204 L CB 0.927 43.012 42.059 0.044 0.000 1.200 204 L HN -0.315 7.901 8.230 0.000 0.014 0.436 205 A N 1.140 123.940 122.820 -0.033 0.000 2.425 205 A HA -0.052 4.120 4.320 -0.246 0.000 0.242 205 A C -1.330 176.249 177.584 -0.008 0.000 1.077 205 A CA 0.127 52.088 52.037 -0.127 0.000 0.781 205 A CB 0.961 19.872 19.000 -0.148 0.000 1.020 205 A HN 0.414 8.540 8.150 -0.039 0.000 0.494 206 Y N -4.532 115.783 120.300 0.025 0.000 2.644 206 Y HA 1.015 5.791 4.550 0.079 -0.179 0.338 206 Y C -0.897 175.057 175.900 0.089 0.000 1.119 206 Y CA -3.069 55.077 58.100 0.076 0.000 1.060 206 Y CB 2.711 41.242 38.460 0.118 0.000 1.294 206 Y HN -0.380 7.557 8.280 -0.572 0.000 0.472 207 T N -1.510 113.274 114.554 0.383 0.000 2.927 207 T HA 0.330 4.864 4.350 0.184 -0.074 0.281 207 T C 0.471 175.436 174.700 0.441 0.000 0.998 207 T CA -1.627 60.657 62.100 0.307 0.000 1.019 207 T CB 2.161 71.192 68.868 0.272 0.000 1.061 207 T HN -0.182 8.325 8.240 0.446 0.000 0.518 208 K N 0.694 121.289 120.400 0.325 0.000 2.138 208 K HA 0.222 4.922 4.320 0.502 -0.079 0.251 208 K C -0.652 176.127 176.600 0.298 0.000 1.015 208 K CA 0.387 56.889 56.287 0.359 0.000 0.917 208 K CB 1.400 34.038 32.500 0.230 0.000 1.021 208 K HN 0.018 8.407 8.250 0.232 0.000 0.485 209 L N -2.287 119.057 121.223 0.202 0.000 2.350 209 L HA 0.896 5.465 4.340 0.030 -0.211 0.260 209 L C -1.020 175.818 176.870 -0.053 0.000 1.015 209 L CA -2.144 52.670 54.840 -0.044 0.000 0.821 209 L CB 4.758 46.566 42.059 -0.418 0.000 1.370 209 L HN -0.223 8.191 8.230 0.306 0.000 0.416 210 I N 0.606 121.148 120.570 -0.046 0.000 2.416 210 I HA 0.120 4.455 4.170 -0.008 -0.169 0.288 210 I C 0.053 176.128 176.117 -0.070 0.000 1.051 210 I CA -2.196 59.087 61.300 -0.028 0.000 1.375 210 I CB -1.628 36.375 38.000 0.004 0.000 1.407 210 I HN -0.357 7.836 8.210 -0.028 0.000 0.516 211 S N 5.809 121.476 115.700 -0.055 0.000 2.608 211 S HA 0.083 4.482 4.470 -0.119 0.000 0.261 211 S C 1.702 176.284 174.600 -0.029 0.000 1.314 211 S CA -0.215 57.947 58.200 -0.062 0.000 0.992 211 S CB 1.533 64.719 63.200 -0.024 0.000 0.935 211 S HN 0.098 8.392 8.310 -0.028 0.000 0.564 212 A N 1.622 124.429 122.820 -0.022 0.000 1.986 212 A HA -0.270 4.119 4.320 -0.005 -0.071 0.220 212 A C 0.549 178.127 177.584 -0.010 0.000 1.171 212 A CA 2.769 54.801 52.037 -0.009 0.000 0.640 212 A CB -0.460 18.536 19.000 -0.007 0.000 0.811 212 A HN 0.841 8.972 8.150 -0.032 0.000 0.451 213 D N -4.267 116.129 120.400 -0.007 0.000 2.363 213 D HA -0.022 4.615 4.640 -0.005 0.000 0.226 213 D C 0.620 176.919 176.300 -0.002 0.000 1.020 213 D CA -0.014 53.984 54.000 -0.004 0.000 0.892 213 D CB -0.070 40.731 40.800 0.001 0.000 0.900 213 D HN -0.061 8.284 8.370 -0.007 0.021 0.531 214 G N -2.887 105.911 108.800 -0.003 0.000 2.134 214 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.209 214 G HA3 -0.379 3.581 3.960 0.000 0.000 0.209 214 G C -0.834 174.069 174.900 0.006 0.000 0.993 214 G CA -0.019 45.081 45.100 0.000 0.000 0.669 214 G HN -0.413 7.694 8.290 -0.006 0.180 0.519 215 K N 0.672 121.077 120.400 0.009 0.000 2.207 215 K HA 0.514 4.845 4.320 0.019 0.000 0.255 215 K C -2.386 174.229 176.600 0.025 0.000 0.941 215 K CA -3.545 52.753 56.287 0.018 0.000 0.825 215 K CB 1.376 33.888 32.500 0.019 0.000 1.119 215 K HN -0.589 7.664 8.250 0.005 0.000 0.430 216 P HA 0.038 4.641 4.420 0.057 -0.149 0.268 216 P C -1.250 176.097 177.300 0.078 0.000 1.204 216 P CA -0.217 62.918 63.100 0.058 0.000 0.768 216 P CB 0.392 32.129 31.700 0.060 0.000 0.842 217 V N 3.093 123.082 119.914 0.124 0.000 2.841 217 V HA 0.364 4.566 4.120 0.136 0.000 0.310 217 V C -1.845 174.446 176.094 0.327 0.000 1.090 217 V CA -2.723 59.691 62.300 0.189 0.000 0.930 217 V CB 4.226 36.167 31.823 0.197 0.000 1.014 217 V HN 0.613 8.879 8.190 0.127 0.000 0.425 218 S N 7.760 123.588 115.700 0.213 0.000 2.585 218 S HA 0.359 4.973 4.470 0.239 0.000 0.277 218 S C -2.299 172.221 174.600 -0.134 0.000 1.241 218 S CA -2.376 55.904 58.200 0.134 0.000 1.041 218 S CB 0.423 63.646 63.200 0.038 0.000 0.987 218 S HN 0.185 8.576 8.310 0.135 0.000 0.512 219 P HA 0.135 3.675 4.420 -1.468 0.000 0.287 219 P C -1.510 175.010 177.300 -1.300 0.000 1.294 219 P CA -0.471 61.791 63.100 -1.396 0.000 0.776 219 P CB 0.597 31.218 31.700 -1.798 0.000 0.889 220 T N -1.196 112.489 114.554 -1.448 0.000 2.843 220 T HA 0.183 3.861 4.350 -1.120 0.000 0.302 220 T C 0.267 174.032 174.700 -1.558 0.000 1.232 220 T CA -2.837 58.558 62.100 -1.174 0.000 1.009 220 T CB 3.464 71.984 68.868 -0.580 0.000 1.254 220 T HN -0.450 6.877 8.240 -1.521 0.000 0.504 221 E N 2.948 122.619 120.200 -0.883 0.000 2.070 221 E HA -0.444 3.622 4.350 -0.473 0.000 0.197 221 E C 1.433 177.809 176.600 -0.374 0.000 1.004 221 E CA 4.218 60.312 56.400 -0.509 0.000 0.805 221 E CB -0.003 29.593 29.700 -0.173 0.000 0.744 221 E HN 0.738 8.723 8.360 -0.626 0.000 0.451 222 E N -1.595 118.420 120.200 -0.308 0.000 2.153 222 E HA -0.274 4.022 4.350 -0.091 0.000 0.194 222 E C 2.442 178.949 176.600 -0.153 0.000 0.988 222 E CA 3.454 59.755 56.400 -0.166 0.000 0.811 222 E CB -0.669 28.954 29.700 -0.128 0.000 0.746 222 E HN 0.327 8.492 8.360 -0.326 0.000 0.466 223 N N -0.176 118.352 118.700 -0.286 0.000 2.354 223 N HA -0.014 4.807 4.740 -0.035 -0.102 0.179 223 N C 2.093 177.627 175.510 0.040 0.000 1.021 223 N CA 1.953 54.919 53.050 -0.140 0.000 0.887 223 N CB -0.164 38.233 38.487 -0.150 0.000 0.974 223 N HN -0.655 7.329 8.380 -0.461 0.119 0.437 224 F N 0.931 120.874 119.950 -0.011 0.000 2.102 224 F HA -0.049 4.561 4.527 0.138 0.000 0.298 224 F C 1.974 177.831 175.800 0.095 0.000 1.105 224 F CA 0.845 58.878 58.000 0.056 0.000 1.239 224 F CB -1.390 37.593 39.000 -0.027 0.000 0.991 224 F HN -0.162 7.738 8.300 -0.667 0.000 0.474 225 A N -1.555 121.393 122.820 0.213 0.000 1.908 225 A HA -0.407 4.043 4.320 0.218 0.000 0.218 225 A C 2.471 180.147 177.584 0.154 0.000 1.181 225 A CA 3.048 55.190 52.037 0.175 0.000 0.627 225 A CB -0.542 18.522 19.000 0.107 0.000 0.818 225 A HN -0.126 8.107 8.150 0.138 0.000 0.445 226 N N -1.102 117.666 118.700 0.113 0.000 2.149 226 N HA -0.281 4.510 4.740 0.085 0.000 0.188 226 N C 2.342 177.921 175.510 0.115 0.000 1.019 226 N CA 2.607 55.715 53.050 0.096 0.000 0.857 226 N CB -0.519 38.008 38.487 0.067 0.000 0.997 226 N HN -0.143 8.290 8.380 0.088 0.000 0.426 227 A N -1.346 121.568 122.820 0.157 0.000 2.070 227 A HA -0.196 4.187 4.320 0.105 0.000 0.220 227 A C 0.091 177.744 177.584 0.115 0.000 1.159 227 A CA 2.293 54.415 52.037 0.142 0.000 0.656 227 A CB -0.430 18.689 19.000 0.198 0.000 0.800 227 A HN -0.555 7.695 8.150 0.191 0.015 0.453 228 A N -5.261 117.650 122.820 0.152 0.000 2.308 228 A HA -0.066 4.293 4.320 0.065 0.000 0.217 228 A C 1.261 178.923 177.584 0.130 0.000 1.216 228 A CA 0.274 52.399 52.037 0.147 0.000 0.864 228 A CB -0.267 18.924 19.000 0.318 0.000 0.902 228 A HN -0.544 7.566 8.150 0.182 0.149 0.499 229 K N 0.340 120.808 120.400 0.113 0.000 2.209 229 K HA -0.279 4.129 4.320 0.147 0.000 0.204 229 K C 1.150 177.784 176.600 0.057 0.000 1.048 229 K CA 2.382 58.731 56.287 0.104 0.000 0.940 229 K CB -0.134 32.415 32.500 0.082 0.000 0.729 229 K HN -0.518 7.629 8.250 0.107 0.167 0.451 230 G N -3.913 104.894 108.800 0.012 0.000 3.088 230 G HA2 0.105 4.060 3.960 -0.008 0.000 0.212 230 G HA3 0.105 4.050 3.960 -0.025 0.000 0.212 230 G C -0.943 173.901 174.900 -0.092 0.000 1.173 230 G CA -0.678 44.407 45.100 -0.025 0.000 0.779 230 G HN -0.146 8.128 8.290 0.016 0.025 0.540 231 A N 1.000 123.711 122.820 -0.182 0.000 2.409 231 A HA -0.050 4.060 4.320 -0.350 0.000 0.267 231 A C -0.933 176.425 177.584 -0.377 0.000 1.127 231 A CA -0.407 51.372 52.037 -0.430 0.000 0.795 231 A CB 0.608 19.053 19.000 -0.925 0.000 1.061 231 A HN -0.682 7.319 8.150 -0.127 0.072 0.502 232 D N 5.574 125.822 120.400 -0.253 0.000 2.619 232 D HA 0.112 4.736 4.640 -0.026 0.000 0.224 232 D C 0.182 176.459 176.300 -0.039 0.000 1.133 232 D CA -1.540 52.404 54.000 -0.093 0.000 1.017 232 D CB -1.358 39.412 40.800 -0.051 0.000 1.077 232 D HN 0.597 8.821 8.370 -0.245 0.000 0.503 233 W N 2.715 124.045 121.300 0.051 0.000 2.331 233 W HA -0.252 4.609 4.660 0.102 -0.140 0.291 233 W C 1.585 178.113 176.519 0.015 0.000 1.214 233 W CA 1.756 59.146 57.345 0.075 0.000 1.228 233 W CB -0.330 29.197 29.460 0.112 0.000 1.135 233 W HN -0.385 7.810 8.180 0.097 0.043 0.537 234 S N -2.901 112.923 115.700 0.208 0.000 2.402 234 S HA -0.270 4.243 4.470 0.073 0.000 0.233 234 S C 1.190 175.795 174.600 0.009 0.000 1.030 234 S CA 2.691 60.940 58.200 0.081 0.000 1.003 234 S CB -0.445 62.790 63.200 0.059 0.000 0.813 234 S HN -0.032 8.382 8.310 0.218 0.027 0.477 235 K N -0.388 120.016 120.400 0.007 0.000 2.062 235 K HA -0.046 4.253 4.320 -0.034 0.000 0.205 235 K C -0.024 176.538 176.600 -0.063 0.000 1.051 235 K CA 1.395 57.665 56.287 -0.030 0.000 0.941 235 K CB 0.719 33.202 32.500 -0.028 0.000 0.719 235 K HN -0.412 7.821 8.250 0.030 0.034 0.440 236 T N -2.262 112.264 114.554 -0.046 0.000 2.977 236 T HA 0.099 4.334 4.350 -0.191 0.000 0.345 236 T C -0.726 174.046 174.700 0.121 0.000 1.562 236 T CA -1.175 60.885 62.100 -0.067 0.000 1.090 236 T CB 0.931 69.781 68.868 -0.030 0.000 1.383 236 T HN -0.985 7.258 8.240 0.005 0.000 0.484 237 F N 4.527 124.616 119.950 0.232 0.000 2.407 237 F HA -0.025 4.880 4.527 0.630 0.000 0.299 237 F C 0.720 176.785 175.800 0.442 0.000 1.097 237 F CA 0.559 58.816 58.000 0.428 0.000 1.422 237 F CB -0.289 38.938 39.000 0.379 0.000 1.067 237 F HN 0.531 8.760 8.300 -0.120 0.000 0.539 238 A N -1.159 121.859 122.820 0.331 0.000 3.077 238 A HA 0.032 4.530 4.320 0.296 0.000 0.255 238 A C -1.079 176.592 177.584 0.146 0.000 1.728 238 A CA -0.854 51.293 52.037 0.184 0.000 1.383 238 A CB -1.222 17.758 19.000 -0.035 0.000 1.097 238 A HN -0.592 7.636 8.150 0.218 0.053 0.634 239 Q N 0.078 119.976 119.800 0.163 0.000 2.286 239 Q HA -0.060 4.226 4.340 -0.089 0.000 0.257 239 Q C -0.516 175.495 176.000 0.019 0.000 0.941 239 Q CA -0.701 55.068 55.803 -0.057 0.000 0.912 239 Q CB 0.994 29.467 28.738 -0.441 0.000 1.192 239 Q HN -0.574 7.828 8.270 0.319 0.059 0.410 240 D N 2.455 122.850 120.400 -0.009 0.000 2.325 240 D HA -0.039 4.642 4.640 0.069 0.000 0.251 240 D C -0.268 176.029 176.300 -0.005 0.000 1.196 240 D CA -0.014 53.999 54.000 0.023 0.000 0.866 240 D CB 0.262 41.068 40.800 0.010 0.000 1.101 240 D HN 0.240 8.587 8.370 -0.039 0.000 0.476 241 L N 3.042 124.285 121.223 0.034 0.000 2.910 241 L HA 0.237 4.585 4.340 0.013 0.000 0.252 241 L C -0.381 176.516 176.870 0.045 0.000 1.195 241 L CA -1.300 53.564 54.840 0.040 0.000 1.003 241 L CB -0.396 41.713 42.059 0.083 0.000 1.328 241 L HN 0.191 8.458 8.230 0.062 0.000 0.540 242 T N -1.657 112.918 114.554 0.034 0.000 2.882 242 T HA 0.219 4.715 4.350 -0.004 -0.149 0.287 242 T C 0.576 175.304 174.700 0.047 0.000 0.992 242 T CA -1.461 60.660 62.100 0.035 0.000 1.076 242 T CB 1.843 70.755 68.868 0.074 0.000 0.961 242 T HN -0.413 8.070 8.240 0.034 -0.223 0.490 243 N N 3.485 122.219 118.700 0.057 0.000 2.705 243 N HA -0.432 4.340 4.740 0.054 0.000 0.255 243 N C -1.548 173.970 175.510 0.014 0.000 1.008 243 N CA 1.544 54.635 53.050 0.068 0.000 0.742 243 N CB -0.622 37.928 38.487 0.105 0.000 0.906 243 N HN 0.515 8.780 8.380 -0.003 0.114 0.541 244 Q N -2.427 117.375 119.800 0.002 0.000 2.230 244 Q HA 0.143 4.480 4.340 -0.005 0.000 0.248 244 Q C -0.061 175.940 176.000 0.002 0.000 0.915 244 Q CA -1.075 54.729 55.803 0.001 0.000 0.900 244 Q CB 1.405 30.147 28.738 0.007 0.000 1.229 244 Q HN -0.011 8.258 8.270 -0.002 0.000 0.439 245 K N 0.609 121.009 120.400 -0.001 0.000 2.276 245 K HA -0.251 4.192 4.320 0.000 -0.123 0.259 245 K C 0.443 177.049 176.600 0.010 0.000 1.001 245 K CA 0.228 56.516 56.287 0.001 0.000 0.927 245 K CB 0.601 33.099 32.500 -0.003 0.000 0.969 245 K HN 0.250 8.497 8.250 -0.005 0.000 0.490 246 G N -0.423 108.384 108.800 0.012 0.000 2.392 246 G HA2 -0.181 3.788 3.960 0.014 0.000 0.677 246 G HA3 -0.181 3.792 3.960 0.022 0.000 0.677 246 G C -2.508 172.405 174.900 0.022 0.000 1.334 246 G CA -1.009 44.101 45.100 0.017 0.000 0.961 246 G HN -0.441 8.276 8.290 0.008 -0.423 0.616 247 E N 0.876 121.089 120.200 0.022 0.000 2.384 247 E HA -0.116 4.246 4.350 0.021 0.000 0.266 247 E C -0.602 176.016 176.600 0.031 0.000 1.012 247 E CA 1.082 57.495 56.400 0.023 0.000 0.901 247 E CB 0.484 30.196 29.700 0.019 0.000 0.967 247 E HN 0.180 8.552 8.360 0.020 0.000 0.435 248 D N -1.139 119.283 120.400 0.036 0.000 2.751 248 D HA -0.319 4.355 4.640 0.058 0.000 0.233 248 D C -1.632 174.713 176.300 0.075 0.000 1.149 248 D CA 1.150 55.179 54.000 0.049 0.000 0.682 248 D CB -1.244 39.572 40.800 0.026 0.000 1.068 248 D HN 0.183 8.572 8.370 0.033 0.000 0.429 249 A N -3.077 119.789 122.820 0.077 0.000 2.316 249 A HA 0.171 4.568 4.320 0.129 0.000 0.311 249 A C -1.106 176.559 177.584 0.136 0.000 1.339 249 A CA -1.242 50.857 52.037 0.103 0.000 0.960 249 A CB 0.571 19.607 19.000 0.061 0.000 1.152 249 A HN -0.576 7.588 8.150 0.056 0.020 0.547 250 W N 7.007 128.329 121.300 0.037 0.000 2.347 250 W HA 0.057 4.730 4.660 0.021 0.000 0.333 250 W C -1.101 175.427 176.519 0.015 0.000 1.383 250 W CA -0.958 56.419 57.345 0.054 0.000 1.283 250 W CB 1.287 30.866 29.460 0.198 0.000 1.253 250 W HN -0.269 8.137 8.180 0.377 0.000 0.563 251 P HA -0.001 4.236 4.420 -0.305 0.000 0.236 251 P C -1.569 175.306 177.300 -0.708 0.000 1.177 251 P CA 1.224 63.959 63.100 -0.608 0.000 0.773 251 P CB 0.567 31.907 31.700 -0.600 0.000 0.878 252 I N -2.265 117.793 120.570 -0.853 0.000 2.692 252 I HA 0.269 4.230 4.170 -0.349 0.000 0.285 252 I C -2.187 174.006 176.117 0.127 0.000 1.191 252 I CA -1.304 59.778 61.300 -0.362 0.000 1.128 252 I CB -1.391 36.400 38.000 -0.348 0.000 1.585 252 I HN -0.326 6.986 8.210 -1.436 0.037 0.558 253 T N 6.470 121.113 114.554 0.148 0.000 2.925 253 T HA 0.566 5.166 4.350 0.220 -0.117 0.285 253 T C -1.297 173.505 174.700 0.170 0.000 1.021 253 T CA -0.825 61.409 62.100 0.223 0.000 1.042 253 T CB 1.729 70.764 68.868 0.279 0.000 1.037 253 T HN -0.405 7.864 8.240 0.049 0.000 0.481 254 S N 1.667 117.488 115.700 0.201 0.000 2.550 254 S HA 0.315 4.855 4.470 0.116 0.000 0.270 254 S C -2.038 172.635 174.600 0.121 0.000 1.145 254 S CA -1.043 57.228 58.200 0.120 0.000 0.852 254 S CB 2.178 65.366 63.200 -0.021 0.000 1.119 254 S HN 0.253 8.707 8.310 0.240 0.000 0.465 255 T N 3.858 118.436 114.554 0.039 0.000 2.867 255 T HA 0.721 5.241 4.350 0.034 -0.149 0.286 255 T C -0.438 174.019 174.700 -0.405 0.000 1.022 255 T CA -1.234 60.815 62.100 -0.085 0.000 0.933 255 T CB 1.244 70.103 68.868 -0.015 0.000 1.280 255 T HN 0.533 8.817 8.240 0.074 0.000 0.566 256 T N -0.631 113.549 114.554 -0.624 0.000 2.885 256 T HA 0.202 4.230 4.350 -0.537 0.000 0.322 256 T C -2.274 171.980 174.700 -0.744 0.000 1.387 256 T CA -0.560 61.187 62.100 -0.589 0.000 1.041 256 T CB 1.723 70.405 68.868 -0.309 0.000 1.287 256 T HN -0.241 7.641 8.240 -0.596 0.000 0.491 257 F N 2.030 121.925 119.950 -0.092 0.000 2.577 257 F HA 0.669 5.212 4.527 -0.277 -0.182 0.318 257 F C -0.993 174.642 175.800 -0.276 0.000 1.065 257 F CA -1.933 55.940 58.000 -0.212 0.000 0.929 257 F CB 4.228 43.120 39.000 -0.180 0.000 1.237 257 F HN 0.054 8.348 8.300 -0.011 0.000 0.468 258 I N -0.062 120.220 120.570 -0.479 0.000 2.412 258 I HA 0.562 4.760 4.170 -0.234 -0.168 0.296 258 I C -1.201 174.669 176.117 -0.412 0.000 0.987 258 I CA -2.258 58.676 61.300 -0.611 0.000 1.180 258 I CB 1.456 38.555 38.000 -1.501 0.000 1.340 258 I HN 0.623 8.412 8.210 -0.701 0.000 0.455 259 L N 5.795 126.968 121.223 -0.084 0.000 2.341 259 L HA 0.842 5.379 4.340 -0.010 -0.204 0.278 259 L C -0.791 176.159 176.870 0.134 0.000 1.005 259 L CA -1.174 53.674 54.840 0.012 0.000 0.818 259 L CB 2.092 44.152 42.059 0.001 0.000 1.259 259 L HN 0.472 8.610 8.230 0.017 0.103 0.418 260 I N -5.501 115.184 120.570 0.191 0.000 2.969 260 I HA 0.518 4.819 4.170 0.219 0.000 0.307 260 I C -1.931 174.265 176.117 0.130 0.000 1.149 260 I CA -2.538 58.903 61.300 0.234 0.000 1.008 260 I CB 4.031 42.244 38.000 0.355 0.000 1.232 260 I HN 0.398 8.735 8.210 0.212 0.000 0.435 261 H N 2.560 121.748 119.070 0.195 0.000 2.764 261 H HA 0.071 4.864 4.556 0.159 -0.141 0.341 261 H C 0.698 176.122 175.328 0.160 0.000 1.072 261 H CA 1.564 57.707 56.048 0.158 0.000 1.444 261 H CB 0.464 30.294 29.762 0.114 0.000 1.458 261 H HN 0.506 8.975 8.280 0.315 0.000 0.572 262 K N 0.770 121.313 120.400 0.238 0.000 2.103 262 K HA -0.158 4.257 4.320 0.157 0.000 0.204 262 K C -0.215 176.466 176.600 0.135 0.000 1.052 262 K CA 3.373 59.764 56.287 0.173 0.000 0.945 262 K CB 0.828 33.422 32.500 0.157 0.000 0.722 262 K HN -0.028 8.361 8.250 0.230 0.000 0.443 263 D N -1.871 118.619 120.400 0.149 0.000 2.467 263 D HA 0.353 5.178 4.640 0.080 -0.137 0.220 263 D C -0.878 175.479 176.300 0.094 0.000 1.103 263 D CA -1.606 52.454 54.000 0.100 0.000 0.886 263 D CB -0.017 40.832 40.800 0.082 0.000 1.025 263 D HN -0.285 8.197 8.370 0.187 0.000 0.514 264 Q N 7.403 127.251 119.800 0.080 0.000 2.323 264 Q HA 0.106 4.497 4.340 0.085 0.000 0.257 264 Q C 0.386 176.407 176.000 0.034 0.000 1.022 264 Q CA -0.822 55.022 55.803 0.069 0.000 0.919 264 Q CB 0.243 29.022 28.738 0.069 0.000 1.220 264 Q HN 0.169 8.482 8.270 0.072 0.000 0.427 265 K N 2.450 122.856 120.400 0.010 0.000 2.432 265 K HA -0.051 4.272 4.320 0.005 0.000 0.196 265 K C 0.036 176.639 176.600 0.006 0.000 1.038 265 K CA 0.314 56.600 56.287 -0.000 0.000 0.986 265 K CB 0.111 32.597 32.500 -0.023 0.000 0.782 265 K HN 0.349 8.598 8.250 -0.002 0.000 0.485 266 K N -0.524 119.886 120.400 0.015 0.000 2.606 266 K HA 0.520 4.873 4.320 0.014 -0.024 0.196 266 K C -1.678 174.940 176.600 0.030 0.000 1.048 266 K CA -2.807 53.492 56.287 0.020 0.000 1.017 266 K CB 0.140 32.653 32.500 0.022 0.000 1.413 266 K HN -0.502 7.723 8.250 0.021 0.038 0.568 267 P HA -0.039 4.400 4.420 0.032 0.000 0.225 267 P C 0.718 178.032 177.300 0.023 0.000 1.156 267 P CA 1.701 64.816 63.100 0.026 0.000 0.787 267 P CB 0.212 31.924 31.700 0.020 0.000 0.802 268 E N -1.217 118.995 120.200 0.020 0.000 2.110 268 E HA -0.298 4.061 4.350 0.015 0.000 0.193 268 E C 2.277 178.893 176.600 0.028 0.000 0.988 268 E CA 3.213 59.624 56.400 0.018 0.000 0.804 268 E CB -1.962 27.745 29.700 0.012 0.000 0.745 268 E HN 0.632 9.003 8.360 0.017 0.000 0.458 269 Q N -0.213 119.609 119.800 0.037 0.000 2.030 269 Q HA -0.248 4.125 4.340 0.055 0.000 0.204 269 Q C 2.546 178.589 176.000 0.073 0.000 0.986 269 Q CA 2.638 58.475 55.803 0.058 0.000 0.843 269 Q CB -0.576 28.204 28.738 0.069 0.000 0.904 269 Q HN -0.599 7.692 8.270 0.034 0.000 0.420 270 G N -1.826 107.014 108.800 0.067 0.000 2.418 270 G HA2 -0.317 3.699 3.960 0.092 0.000 0.217 270 G HA3 -0.317 3.796 3.960 0.055 -0.119 0.217 270 G C 1.229 176.131 174.900 0.005 0.000 1.158 270 G CA 2.141 47.277 45.100 0.059 0.000 0.771 270 G HN -0.321 8.005 8.290 0.061 0.000 0.545 271 T N 4.586 119.142 114.554 0.004 0.000 2.699 271 T HA -0.365 3.969 4.350 -0.027 0.000 0.268 271 T C 2.085 176.783 174.700 -0.002 0.000 1.036 271 T CA 5.208 67.303 62.100 -0.008 0.000 1.147 271 T CB -0.284 68.590 68.868 0.009 0.000 0.862 271 T HN -0.240 8.010 8.240 0.016 0.000 0.446 272 E N 0.563 120.778 120.200 0.026 0.000 2.152 272 E HA -0.213 4.173 4.350 0.060 0.000 0.192 272 E C 2.206 178.840 176.600 0.057 0.000 0.983 272 E CA 2.430 58.861 56.400 0.051 0.000 0.818 272 E CB -0.514 29.218 29.700 0.053 0.000 0.758 272 E HN -0.649 7.719 8.360 0.030 0.010 0.467 273 V N 1.165 121.116 119.914 0.063 0.000 2.295 273 V HA -0.457 3.731 4.120 0.112 0.000 0.246 273 V C 1.784 177.886 176.094 0.013 0.000 1.049 273 V CA 4.606 66.964 62.300 0.098 0.000 1.024 273 V CB -0.423 31.513 31.823 0.190 0.000 0.648 273 V HN -0.088 8.142 8.190 0.067 0.000 0.447 274 L N -1.800 119.305 121.223 -0.196 0.000 2.046 274 L HA -0.484 3.373 4.340 -0.805 0.000 0.208 274 L C 2.195 178.885 176.870 -0.301 0.000 1.077 274 L CA 3.418 57.901 54.840 -0.594 0.000 0.747 274 L CB -1.039 40.467 42.059 -0.922 0.000 0.896 274 L HN -0.460 7.671 8.230 -0.166 0.000 0.432 275 K N -1.137 119.222 120.400 -0.068 0.000 2.097 275 K HA -0.383 4.007 4.320 0.116 0.000 0.206 275 K C 2.535 179.139 176.600 0.008 0.000 1.049 275 K CA 3.202 59.529 56.287 0.066 0.000 0.933 275 K CB -0.338 32.241 32.500 0.131 0.000 0.717 275 K HN -0.505 7.715 8.250 -0.051 0.000 0.442 276 F N 1.733 121.488 119.950 -0.324 0.000 2.075 276 F HA -0.351 3.403 4.527 -1.288 0.000 0.297 276 F C 1.397 176.779 175.800 -0.696 0.000 1.113 276 F CA 2.882 60.383 58.000 -0.831 0.000 1.218 276 F CB -0.034 38.417 39.000 -0.915 0.000 0.984 276 F HN -0.426 7.880 8.300 0.010 0.000 0.472 277 F N -2.547 117.066 119.950 -0.562 0.000 2.234 277 F HA -0.400 3.454 4.527 -1.121 0.000 0.299 277 F C 1.991 177.467 175.800 -0.540 0.000 1.087 277 F CA 3.904 61.478 58.000 -0.709 0.000 1.340 277 F CB -0.589 38.230 39.000 -0.301 0.000 1.031 277 F HN -0.421 7.668 8.300 -0.352 0.000 0.500 278 D N -0.084 120.338 120.400 0.036 0.000 2.097 278 D HA -0.354 4.547 4.640 0.435 0.000 0.195 278 D C 1.759 178.087 176.300 0.047 0.000 0.989 278 D CA 3.537 57.680 54.000 0.238 0.000 0.827 278 D CB -0.157 40.871 40.800 0.381 0.000 0.966 278 D HN -0.043 8.339 8.370 0.020 0.000 0.456 279 W N 0.858 122.010 121.300 -0.248 0.000 2.338 279 W HA -0.436 4.148 4.660 -0.126 0.000 0.304 279 W C 1.115 177.342 176.519 -0.487 0.000 1.212 279 W CA 3.923 61.105 57.345 -0.272 0.000 1.264 279 W CB 0.083 29.421 29.460 -0.202 0.000 1.142 279 W HN -0.310 7.923 8.180 0.088 0.000 0.512 280 A N -0.972 121.400 122.820 -0.746 0.000 1.898 280 A HA -0.356 2.893 4.320 -1.785 0.000 0.216 280 A C 2.364 179.354 177.584 -0.991 0.000 1.181 280 A CA 2.646 53.808 52.037 -1.459 0.000 0.620 280 A CB -0.733 16.939 19.000 -2.212 0.000 0.819 280 A HN -0.285 7.380 8.150 -0.642 0.099 0.442 281 Y N -3.139 116.839 120.300 -0.536 0.000 2.181 281 Y HA -0.305 4.073 4.550 -0.286 0.000 0.288 281 Y C 2.177 177.895 175.900 -0.303 0.000 1.146 281 Y CA 2.944 60.852 58.100 -0.319 0.000 1.164 281 Y CB -0.497 37.842 38.460 -0.201 0.000 0.982 281 Y HN -0.336 7.575 8.280 -0.615 0.000 0.515 282 K N -3.420 116.880 120.400 -0.167 0.000 2.103 282 K HA -0.145 4.115 4.320 -0.099 0.000 0.204 282 K C 1.302 177.736 176.600 -0.278 0.000 1.052 282 K CA 2.299 58.483 56.287 -0.170 0.000 0.945 282 K CB 0.620 33.047 32.500 -0.121 0.000 0.722 282 K HN -0.358 7.774 8.250 -0.195 0.000 0.443 283 T N -6.415 107.822 114.554 -0.528 0.000 2.986 283 T HA 0.200 4.343 4.350 -0.345 0.000 0.264 283 T C 1.319 175.686 174.700 -0.554 0.000 0.964 283 T CA -0.158 61.606 62.100 -0.561 0.000 0.895 283 T CB 1.119 69.523 68.868 -0.774 0.000 1.163 283 T HN -0.272 7.555 8.240 -0.689 0.000 0.517 284 G N 0.561 108.976 108.800 -0.641 0.000 3.141 284 G HA2 0.144 4.037 3.960 -0.370 0.000 0.218 284 G HA3 0.144 3.708 3.960 -0.778 -0.071 0.218 284 G C 0.149 175.105 174.900 0.094 0.000 1.170 284 G CA -0.212 44.635 45.100 -0.421 0.000 0.769 284 G HN -0.196 7.685 8.290 -0.681 0.000 0.546 285 A N 1.618 124.447 122.820 0.015 0.000 1.898 285 A HA -0.244 4.188 4.320 0.187 0.000 0.216 285 A C 1.180 178.833 177.584 0.115 0.000 1.181 285 A CA 2.497 54.597 52.037 0.106 0.000 0.620 285 A CB -0.468 18.560 19.000 0.046 0.000 0.819 285 A HN 0.051 8.090 8.150 -0.084 0.061 0.442 286 K N -1.145 119.297 120.400 0.070 0.000 2.032 286 K HA -0.430 3.927 4.320 0.061 0.000 0.209 286 K C 2.063 178.725 176.600 0.105 0.000 1.048 286 K CA 3.598 59.927 56.287 0.070 0.000 0.927 286 K CB -0.457 32.070 32.500 0.045 0.000 0.712 286 K HN 0.255 8.525 8.250 0.034 0.000 0.441 287 Q N -1.886 118.008 119.800 0.157 0.000 2.124 287 Q HA -0.312 4.100 4.340 0.121 0.000 0.202 287 Q C 2.567 178.630 176.000 0.105 0.000 0.977 287 Q CA 3.205 59.108 55.803 0.167 0.000 0.850 287 Q CB -0.298 28.616 28.738 0.294 0.000 0.901 287 Q HN 0.094 8.463 8.270 0.165 0.000 0.429 288 A N -0.739 122.174 122.820 0.156 0.000 1.873 288 A HA -0.313 3.972 4.320 -0.058 0.000 0.215 288 A C 1.913 179.595 177.584 0.163 0.000 1.186 288 A CA 2.919 55.008 52.037 0.087 0.000 0.616 288 A CB -0.670 18.430 19.000 0.166 0.000 0.823 288 A HN -0.349 7.968 8.150 0.279 0.000 0.442 289 N N -1.284 117.496 118.700 0.133 0.000 2.166 289 N HA -0.247 4.847 4.740 0.110 -0.288 0.186 289 N C 2.624 178.173 175.510 0.065 0.000 1.019 289 N CA 2.505 55.613 53.050 0.097 0.000 0.856 289 N CB -0.034 38.496 38.487 0.073 0.000 0.993 289 N HN 0.010 8.471 8.380 0.135 0.000 0.426 290 D N -0.094 120.342 120.400 0.060 0.000 2.182 290 D HA -0.196 4.459 4.640 0.025 0.000 0.201 290 D C 0.557 176.867 176.300 0.018 0.000 0.986 290 D CA 2.718 56.739 54.000 0.035 0.000 0.847 290 D CB -0.276 40.545 40.800 0.036 0.000 0.942 290 D HN 0.051 8.465 8.370 0.072 0.000 0.467 291 L N -3.547 117.704 121.223 0.045 0.000 2.653 291 L HA 0.031 4.341 4.340 -0.050 0.000 0.231 291 L C -1.397 175.425 176.870 -0.081 0.000 1.153 291 L CA -0.579 54.268 54.840 0.012 0.000 0.933 291 L CB -0.060 42.068 42.059 0.114 0.000 1.175 291 L HN -0.877 7.282 8.230 0.081 0.120 0.473 292 D N -6.911 113.482 120.400 -0.012 0.000 2.907 292 D HA -0.424 4.447 4.640 0.011 -0.225 0.226 292 D C -1.277 174.986 176.300 -0.061 0.000 1.141 292 D CA 1.963 55.957 54.000 -0.010 0.000 0.779 292 D CB -2.010 38.865 40.800 0.126 0.000 1.095 292 D HN -0.404 7.786 8.370 0.031 0.199 0.430 293 Y N -1.969 118.362 120.300 0.053 0.000 2.320 293 Y HA 0.150 4.871 4.550 0.118 -0.100 0.334 293 Y C -0.608 175.349 175.900 0.096 0.000 1.055 293 Y CA -0.460 57.678 58.100 0.064 0.000 1.143 293 Y CB 0.855 39.291 38.460 -0.041 0.000 1.193 293 Y HN -0.626 7.734 8.280 0.209 0.046 0.477 294 A N 2.644 125.637 122.820 0.288 0.000 2.371 294 A HA 0.257 4.976 4.320 0.159 -0.303 0.257 294 A C -0.917 176.783 177.584 0.193 0.000 1.089 294 A CA -0.882 51.279 52.037 0.206 0.000 0.794 294 A CB 1.293 20.416 19.000 0.204 0.000 1.029 294 A HN 0.410 8.761 8.150 0.334 0.000 0.488 295 S N 0.785 116.570 115.700 0.142 0.000 2.586 295 S HA 0.086 4.650 4.470 0.157 0.000 0.274 295 S C 0.379 175.012 174.600 0.055 0.000 1.281 295 S CA 0.001 58.272 58.200 0.119 0.000 1.035 295 S CB 0.767 64.023 63.200 0.093 0.000 0.962 295 S HN 0.263 8.646 8.310 0.122 0.000 0.512 296 L N 4.925 126.144 121.223 -0.006 0.000 2.483 296 L HA 0.025 4.256 4.340 -0.183 0.000 0.276 296 L C -1.539 175.226 176.870 -0.176 0.000 1.213 296 L CA -0.967 53.769 54.840 -0.174 0.000 0.843 296 L CB -0.681 41.179 42.059 -0.331 0.000 1.107 296 L HN 0.353 8.608 8.230 0.041 0.000 0.487 297 P HA 0.067 4.435 4.420 -0.087 0.000 0.267 297 P C -0.317 176.861 177.300 -0.204 0.000 1.200 297 P CA -0.546 62.464 63.100 -0.150 0.000 0.772 297 P CB 0.773 32.407 31.700 -0.109 0.000 0.855 298 D N 2.104 122.418 120.400 -0.144 0.000 2.190 298 D HA -0.355 4.163 4.640 -0.203 0.000 0.200 298 D C 1.861 178.054 176.300 -0.177 0.000 0.992 298 D CA 3.808 57.711 54.000 -0.162 0.000 0.854 298 D CB -0.404 40.334 40.800 -0.103 0.000 0.936 298 D HN 0.448 8.757 8.370 -0.102 0.000 0.462 299 S N -1.186 114.432 115.700 -0.136 0.000 2.382 299 S HA -0.249 4.167 4.470 -0.090 0.000 0.228 299 S C 1.705 176.214 174.600 -0.151 0.000 1.027 299 S CA 3.155 61.291 58.200 -0.107 0.000 0.991 299 S CB -0.590 62.585 63.200 -0.041 0.000 0.823 299 S HN 0.116 8.335 8.310 -0.113 0.023 0.469 300 V N 2.840 122.600 119.914 -0.257 0.000 2.358 300 V HA -0.250 3.959 4.120 -0.150 -0.180 0.246 300 V C 1.989 177.848 176.094 -0.392 0.000 1.047 300 V CA 2.937 65.043 62.300 -0.323 0.000 1.035 300 V CB -0.821 30.597 31.823 -0.676 0.000 0.658 300 V HN -0.632 7.371 8.190 -0.288 0.013 0.452 301 V N 0.395 119.997 119.914 -0.520 0.000 2.332 301 V HA -0.522 2.960 4.120 -1.064 0.000 0.248 301 V C 2.360 178.141 176.094 -0.523 0.000 1.055 301 V CA 4.371 66.221 62.300 -0.750 0.000 1.038 301 V CB -1.206 30.172 31.823 -0.742 0.000 0.651 301 V HN -0.588 7.322 8.190 -0.467 0.000 0.450 302 E N -1.348 118.666 120.200 -0.311 0.000 2.106 302 E HA -0.335 3.892 4.350 -0.205 0.000 0.192 302 E C 2.727 179.228 176.600 -0.166 0.000 0.984 302 E CA 3.109 59.389 56.400 -0.201 0.000 0.806 302 E CB -0.741 28.888 29.700 -0.119 0.000 0.750 302 E HN -0.180 8.013 8.360 -0.279 0.000 0.458 303 Q N -0.440 119.293 119.800 -0.111 0.000 2.084 303 Q HA -0.287 4.055 4.340 0.003 0.000 0.202 303 Q C 2.738 178.745 176.000 0.012 0.000 0.978 303 Q CA 2.967 58.779 55.803 0.015 0.000 0.844 303 Q CB -0.025 28.826 28.738 0.188 0.000 0.898 303 Q HN -0.480 7.641 8.270 -0.120 0.077 0.426 304 V N -0.063 119.725 119.914 -0.210 0.000 2.295 304 V HA -0.502 3.501 4.120 -0.195 0.000 0.246 304 V C 1.879 177.410 176.094 -0.939 0.000 1.049 304 V CA 4.125 66.087 62.300 -0.563 0.000 1.024 304 V CB -0.772 30.501 31.823 -0.918 0.000 0.648 304 V HN -0.085 7.934 8.190 -0.285 0.000 0.447 305 R N -1.132 118.877 120.500 -0.818 0.000 2.091 305 R HA -0.391 3.419 4.340 -0.882 0.000 0.238 305 R C 2.262 178.470 176.300 -0.155 0.000 1.136 305 R CA 3.806 59.573 56.100 -0.556 0.000 0.959 305 R CB -0.391 29.809 30.300 -0.167 0.000 0.856 305 R HN -0.208 7.647 8.270 -0.692 0.000 0.437 306 A N -1.752 121.009 122.820 -0.099 0.000 1.902 306 A HA -0.182 4.168 4.320 0.050 0.000 0.217 306 A C 1.842 179.424 177.584 -0.004 0.000 1.181 306 A CA 2.801 54.837 52.037 -0.002 0.000 0.623 306 A CB -0.809 18.188 19.000 -0.004 0.000 0.818 306 A HN -0.288 7.778 8.150 -0.140 0.000 0.443 307 A N -1.648 121.145 122.820 -0.044 0.000 1.968 307 A HA -0.102 4.215 4.320 -0.005 0.000 0.217 307 A C 1.847 179.305 177.584 -0.211 0.000 1.169 307 A CA 2.182 54.195 52.037 -0.039 0.000 0.638 307 A CB -0.399 18.738 19.000 0.228 0.000 0.812 307 A HN -0.444 7.664 8.150 -0.070 0.000 0.446 308 W N -2.267 118.821 121.300 -0.354 0.000 2.338 308 W HA -0.362 3.916 4.660 -0.637 0.000 0.304 308 W C 2.286 178.693 176.519 -0.186 0.000 1.212 308 W CA 1.989 59.078 57.345 -0.426 0.000 1.264 308 W CB -0.801 28.358 29.460 -0.501 0.000 1.142 308 W HN 0.057 8.082 8.180 -0.257 0.000 0.512 309 K N -4.786 115.741 120.400 0.211 0.000 2.097 309 K HA -0.178 4.422 4.320 0.223 -0.146 0.206 309 K C 1.312 177.954 176.600 0.071 0.000 1.049 309 K CA 2.919 59.315 56.287 0.181 0.000 0.933 309 K CB -0.293 32.315 32.500 0.180 0.000 0.717 309 K HN -0.657 7.722 8.250 0.215 0.000 0.442 310 T N -7.278 107.290 114.554 0.024 0.000 3.044 310 T HA -0.020 4.342 4.350 0.021 0.000 0.250 310 T C 0.250 174.940 174.700 -0.017 0.000 1.081 310 T CA 1.280 63.385 62.100 0.008 0.000 1.040 310 T CB 0.533 69.409 68.868 0.014 0.000 0.962 310 T HN -0.693 7.536 8.240 0.013 0.018 0.506 311 N N -0.217 118.431 118.700 -0.086 0.000 2.460 311 N HA 0.144 4.867 4.740 -0.028 0.000 0.193 311 N C -0.546 174.922 175.510 -0.069 0.000 1.080 311 N CA 1.555 54.541 53.050 -0.107 0.000 0.869 311 N CB 2.365 40.673 38.487 -0.298 0.000 1.201 311 N HN -0.694 7.617 8.380 -0.116 0.000 0.457 312 I N 1.310 121.832 120.570 -0.079 0.000 2.307 312 I HA 0.159 4.476 4.170 0.001 -0.145 0.289 312 I C -1.519 174.603 176.117 0.007 0.000 1.021 312 I CA -1.999 59.282 61.300 -0.031 0.000 1.224 312 I CB -1.917 36.034 38.000 -0.081 0.000 1.376 312 I HN -0.468 7.690 8.210 -0.086 0.000 0.470 313 K N 6.398 126.814 120.400 0.028 0.000 2.480 313 K HA 0.748 5.250 4.320 0.026 -0.166 0.258 313 K C -1.292 175.329 176.600 0.035 0.000 0.990 313 K CA -1.891 54.414 56.287 0.030 0.000 0.857 313 K CB 4.581 37.099 32.500 0.031 0.000 1.384 313 K HN 0.476 8.750 8.250 0.040 0.000 0.446 314 D N -0.696 119.720 120.400 0.028 0.000 2.447 314 D HA 0.287 5.104 4.640 0.030 -0.159 0.265 314 D C 1.991 178.307 176.300 0.026 0.000 1.250 314 D CA -1.465 52.550 54.000 0.026 0.000 1.046 314 D CB 0.755 41.567 40.800 0.019 0.000 1.095 314 D HN 0.073 8.458 8.370 0.024 0.000 0.555 315 S N -1.690 114.024 115.700 0.022 0.000 2.555 315 S HA -0.139 4.454 4.470 0.025 -0.108 0.230 315 S C 0.534 175.145 174.600 0.018 0.000 0.978 315 S CA 2.564 60.777 58.200 0.021 0.000 0.934 315 S CB -0.696 62.513 63.200 0.016 0.000 0.766 315 S HN 0.374 8.696 8.310 0.020 0.000 0.533 316 S N 0.526 116.236 115.700 0.016 0.000 2.575 316 S HA 0.109 4.588 4.470 0.014 0.000 0.215 316 S C 0.201 174.811 174.600 0.016 0.000 0.966 316 S CA 0.434 58.643 58.200 0.014 0.000 0.911 316 S CB 0.410 63.617 63.200 0.011 0.000 0.780 316 S HN -0.501 7.972 8.310 0.016 -0.154 0.514 317 G N 0.841 109.652 108.800 0.019 0.000 2.176 317 G HA2 -0.452 3.523 3.960 0.024 0.000 0.253 317 G HA3 -0.452 3.520 3.960 0.019 0.000 0.253 317 G C -1.394 173.517 174.900 0.019 0.000 0.979 317 G CA -0.058 45.055 45.100 0.021 0.000 0.641 317 G HN -0.411 7.765 8.290 0.021 0.127 0.530 318 K N 2.354 122.765 120.400 0.017 0.000 2.339 318 K HA 0.354 4.683 4.320 0.014 0.000 0.286 318 K C -2.252 174.359 176.600 0.019 0.000 1.050 318 K CA -2.620 53.676 56.287 0.015 0.000 0.956 318 K CB 0.883 33.389 32.500 0.011 0.000 0.990 318 K HN -0.604 7.881 8.250 0.017 -0.225 0.475 319 P HA -0.005 4.620 4.420 0.033 -0.185 0.267 319 P C -0.770 176.549 177.300 0.031 0.000 1.200 319 P CA 0.345 63.465 63.100 0.032 0.000 0.772 319 P CB 0.536 32.260 31.700 0.041 0.000 0.855 320 L N 0.079 121.326 121.223 0.040 0.000 2.667 320 L HA 0.172 4.525 4.340 0.023 0.000 0.232 320 L C -0.972 175.950 176.870 0.087 0.000 1.138 320 L CA -0.468 54.393 54.840 0.035 0.000 0.921 320 L CB 0.078 42.144 42.059 0.010 0.000 1.180 320 L HN 0.047 8.302 8.230 0.042 0.000 0.487 321 Y N 0.000 120.283 120.300 -0.029 0.000 2.660 321 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 321 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 321 Y CB 0.000 38.485 38.460 0.041 0.000 1.050 321 Y HN 0.000 8.301 8.280 0.145 0.066 0.758