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 3g3g_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTILGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREKVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKRSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE cNLTQIGGLI DSKGYGVGTP MGSPYRDKIT IAILQLQEEG KLHMMKEKWW DATA SEQUENCE RXXXcP 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 3 N HA 0.000 4.777 4.740 0.062 0.000 0.220 3 N C 0.000 175.545 175.510 0.059 0.000 1.280 3 N CA 0.000 53.084 53.050 0.056 0.000 0.885 3 N CB 0.000 38.509 38.487 0.037 0.000 1.341 4 R N 1.879 122.412 120.500 0.056 0.000 2.522 4 R HA 0.020 4.382 4.340 0.036 0.000 0.284 4 R C -0.594 175.740 176.300 0.056 0.000 1.032 4 R CA -0.071 56.056 56.100 0.045 0.000 1.049 4 R CB 0.766 31.089 30.300 0.038 0.000 0.956 4 R HN -0.037 8.267 8.270 0.056 0.000 0.422 5 S N 3.965 119.692 115.700 0.046 0.000 2.531 5 S HA -0.183 4.515 4.470 0.104 -0.166 0.279 5 S C 0.047 174.663 174.600 0.026 0.000 1.305 5 S CA 0.422 58.660 58.200 0.062 0.000 1.058 5 S CB 0.631 63.855 63.200 0.041 0.000 0.899 5 S HN 0.073 8.405 8.310 0.035 0.000 0.493 6 L N 5.216 126.441 121.223 0.002 0.000 2.453 6 L HA -0.134 4.241 4.340 -0.151 -0.126 0.272 6 L C -0.173 176.663 176.870 -0.056 0.000 1.182 6 L CA 0.145 54.907 54.840 -0.131 0.000 0.858 6 L CB 0.333 42.138 42.059 -0.424 0.000 1.120 6 L HN 0.143 8.406 8.230 0.056 0.000 0.474 7 I N 2.957 123.471 120.570 -0.092 0.000 2.352 7 I HA 0.135 4.438 4.170 -0.022 -0.146 0.290 7 I C -0.357 175.691 176.117 -0.115 0.000 1.036 7 I CA -2.141 59.120 61.300 -0.065 0.000 1.336 7 I CB -1.171 36.794 38.000 -0.058 0.000 1.407 7 I HN 0.269 8.753 8.210 -0.116 -0.344 0.497 8 V N 8.865 128.724 119.914 -0.092 0.000 2.334 8 V HA 0.411 4.623 4.120 -0.183 -0.201 0.281 8 V C -0.990 175.009 176.094 -0.157 0.000 1.016 8 V CA -1.509 60.700 62.300 -0.150 0.000 0.832 8 V CB 1.740 33.467 31.823 -0.160 0.000 0.999 8 V HN 0.587 8.749 8.190 -0.046 0.000 0.439 9 T N 8.799 123.254 114.554 -0.165 0.000 2.909 9 T HA 0.730 5.214 4.350 -0.162 -0.232 0.289 9 T C -0.749 173.829 174.700 -0.203 0.000 1.005 9 T CA -0.821 61.179 62.100 -0.167 0.000 1.084 9 T CB 0.909 69.693 68.868 -0.141 0.000 0.975 9 T HN 0.264 8.404 8.240 -0.167 0.000 0.509 10 T N 4.827 119.240 114.554 -0.234 0.000 2.671 10 T HA 0.380 4.584 4.350 -0.242 0.000 0.300 10 T C -2.651 171.882 174.700 -0.278 0.000 1.238 10 T CA -2.109 59.830 62.100 -0.269 0.000 1.020 10 T CB 1.831 70.501 68.868 -0.331 0.000 1.503 10 T HN -0.300 7.804 8.240 -0.225 0.000 0.497 11 I N -0.469 119.925 120.570 -0.294 0.000 2.827 11 I HA 0.263 4.284 4.170 -0.249 0.000 0.298 11 I C -2.698 173.287 176.117 -0.220 0.000 1.235 11 I CA -1.143 59.983 61.300 -0.290 0.000 1.021 11 I CB 3.277 40.989 38.000 -0.480 0.000 1.259 11 I HN 0.267 8.309 8.210 -0.282 0.000 0.427 12 L N 5.567 126.691 121.223 -0.165 0.000 2.410 12 L HA -0.096 4.281 4.340 -0.146 -0.124 0.273 12 L C -0.750 176.100 176.870 -0.033 0.000 1.144 12 L CA 0.083 54.852 54.840 -0.118 0.000 0.863 12 L CB -0.088 41.910 42.059 -0.101 0.000 1.140 12 L HN 0.221 8.360 8.230 -0.151 0.000 0.463 13 E N 4.293 124.493 120.200 -0.000 0.000 2.428 13 E HA 0.146 4.555 4.350 0.098 0.000 0.307 13 E C -2.303 174.334 176.600 0.063 0.000 0.902 13 E CA -1.129 55.330 56.400 0.098 0.000 0.799 13 E CB 3.468 33.278 29.700 0.185 0.000 1.351 13 E HN 0.174 8.516 8.360 -0.031 0.000 0.392 14 E N 5.984 126.152 120.200 -0.053 0.000 2.360 14 E HA 0.045 4.186 4.350 -0.350 0.000 0.269 14 E C -1.223 174.946 176.600 -0.718 0.000 1.022 14 E CA -2.706 53.497 56.400 -0.329 0.000 0.887 14 E CB 0.921 30.476 29.700 -0.242 0.000 0.990 14 E HN 0.265 8.618 8.360 -0.012 0.000 0.426 15 P HA 0.293 4.267 4.420 -0.742 0.000 0.266 15 P C -0.501 176.286 177.300 -0.856 0.000 1.561 15 P CA -0.176 62.286 63.100 -1.063 0.000 1.089 15 P CB 0.268 31.146 31.700 -1.370 0.000 1.534 16 Y N 0.663 120.710 120.300 -0.421 0.000 2.206 16 Y HA -0.110 4.326 4.550 -0.189 0.000 0.292 16 Y C 0.174 175.883 175.900 -0.319 0.000 1.123 16 Y CA 4.102 62.049 58.100 -0.256 0.000 1.142 16 Y CB 0.723 39.117 38.460 -0.110 0.000 1.006 16 Y HN -0.305 7.638 8.280 -0.440 0.073 0.518 17 V N -3.684 116.157 119.914 -0.122 0.000 2.655 17 V HA 0.415 4.566 4.120 -0.198 -0.149 0.301 17 V C -1.929 174.081 176.094 -0.139 0.000 1.082 17 V CA -0.631 61.573 62.300 -0.160 0.000 0.899 17 V CB 2.590 34.317 31.823 -0.160 0.000 1.014 17 V HN -0.426 7.716 8.190 -0.080 0.000 0.429 18 L N 3.815 124.972 121.223 -0.109 0.000 2.424 18 L HA 0.417 4.708 4.340 -0.081 0.000 0.258 18 L C -1.415 175.457 176.870 0.004 0.000 0.995 18 L CA -1.005 53.800 54.840 -0.059 0.000 0.821 18 L CB 4.358 46.404 42.059 -0.022 0.000 1.383 18 L HN 0.458 8.630 8.230 -0.097 0.000 0.410 19 F N 0.866 120.837 119.950 0.034 0.000 2.467 19 F HA 0.084 4.683 4.527 -0.169 -0.174 0.362 19 F C 0.807 176.581 175.800 -0.043 0.000 1.090 19 F CA -0.021 57.932 58.000 -0.078 0.000 1.202 19 F CB 0.672 39.605 39.000 -0.111 0.000 1.113 19 F HN 0.142 8.483 8.300 0.068 0.000 0.541 20 K N 4.398 124.891 120.400 0.155 0.000 2.527 20 K HA -0.246 4.145 4.320 0.119 0.000 0.278 20 K C 0.338 176.973 176.600 0.058 0.000 0.981 20 K CA 0.858 57.204 56.287 0.099 0.000 1.009 20 K CB 0.423 32.962 32.500 0.065 0.000 0.895 20 K HN -0.240 8.090 8.250 0.132 0.000 0.493 21 K N 3.891 124.325 120.400 0.056 0.000 2.312 21 K HA 0.022 4.346 4.320 0.008 0.000 0.287 21 K C -0.585 176.016 176.600 0.002 0.000 1.062 21 K CA 0.642 56.943 56.287 0.023 0.000 0.934 21 K CB 0.191 32.713 32.500 0.037 0.000 1.027 21 K HN 0.368 8.664 8.250 0.075 0.000 0.478 22 S N 3.641 119.324 115.700 -0.027 0.000 2.543 22 S HA 0.210 4.670 4.470 -0.016 0.000 0.274 22 S C -0.627 173.945 174.600 -0.046 0.000 1.149 22 S CA -1.275 56.907 58.200 -0.031 0.000 0.866 22 S CB 2.357 65.533 63.200 -0.039 0.000 1.111 22 S HN 0.174 8.458 8.310 -0.043 0.000 0.457 23 D N 0.829 121.209 120.400 -0.033 0.000 2.162 23 D HA -0.005 4.610 4.640 -0.042 0.000 0.203 23 D C 0.371 176.645 176.300 -0.044 0.000 0.967 23 D CA 1.332 55.310 54.000 -0.036 0.000 0.840 23 D CB 0.398 41.184 40.800 -0.022 0.000 0.972 23 D HN 0.172 8.528 8.370 -0.023 0.000 0.482 24 K N 1.745 122.124 120.400 -0.036 0.000 2.416 24 K HA 0.145 4.451 4.320 -0.024 0.000 0.283 24 K C -2.483 174.069 176.600 -0.079 0.000 1.037 24 K CA -1.820 54.447 56.287 -0.034 0.000 0.995 24 K CB 0.875 33.368 32.500 -0.011 0.000 0.938 24 K HN -0.337 7.896 8.250 -0.027 0.000 0.475 25 P HA -0.089 4.171 4.420 -0.267 0.000 0.264 25 P C -1.321 175.772 177.300 -0.345 0.000 1.193 25 P CA 0.187 63.145 63.100 -0.237 0.000 0.763 25 P CB 0.475 32.063 31.700 -0.188 0.000 0.810 26 L N 2.368 123.302 121.223 -0.483 0.000 2.330 26 L HA 0.258 4.468 4.340 -0.217 0.000 0.271 26 L C -1.032 175.456 176.870 -0.637 0.000 1.013 26 L CA -1.169 53.436 54.840 -0.392 0.000 0.816 26 L CB 2.169 44.099 42.059 -0.215 0.000 1.287 26 L HN -0.177 7.765 8.230 -0.480 0.000 0.435 27 Y N -0.299 119.975 120.300 -0.043 0.000 2.512 27 Y HA 0.117 4.647 4.550 -0.034 0.000 0.348 27 Y C 0.457 176.363 175.900 0.010 0.000 0.990 27 Y CA -0.505 57.581 58.100 -0.023 0.000 1.033 27 Y CB 3.236 41.688 38.460 -0.014 0.000 1.259 27 Y HN 0.151 8.470 8.280 0.065 0.000 0.461 28 G N 1.960 110.876 108.800 0.194 0.000 2.566 28 G HA2 -0.510 3.569 3.960 0.199 0.000 0.280 28 G HA3 -0.510 3.547 3.960 0.162 0.000 0.280 28 G C 0.859 175.899 174.900 0.233 0.000 1.225 28 G CA 0.884 46.097 45.100 0.188 0.000 0.966 28 G HN 0.159 8.569 8.290 0.201 0.000 0.560 29 N N 3.160 121.997 118.700 0.228 0.000 2.309 29 N HA -0.225 4.825 4.740 0.516 0.000 0.182 29 N C 1.763 177.441 175.510 0.279 0.000 1.018 29 N CA 2.251 55.495 53.050 0.325 0.000 0.876 29 N CB -0.571 38.035 38.487 0.198 0.000 0.972 29 N HN 0.292 8.769 8.380 0.162 0.000 0.434 30 D N 0.841 121.332 120.400 0.151 0.000 2.309 30 D HA -0.207 4.500 4.640 0.113 0.000 0.212 30 D C 1.461 177.782 176.300 0.036 0.000 0.968 30 D CA 1.961 56.020 54.000 0.098 0.000 0.882 30 D CB -0.274 40.571 40.800 0.076 0.000 0.918 30 D HN -0.539 7.886 8.370 0.133 0.024 0.503 31 R N -2.446 118.013 120.500 -0.068 0.000 2.189 31 R HA -0.251 3.979 4.340 -0.183 0.000 0.223 31 R C -0.022 176.120 176.300 -0.262 0.000 1.092 31 R CA 2.507 58.447 56.100 -0.267 0.000 0.989 31 R CB 0.429 30.410 30.300 -0.530 0.000 0.876 31 R HN -0.661 7.535 8.270 -0.038 0.052 0.457 32 F N -4.016 116.011 119.950 0.128 0.000 2.470 32 F HA 0.795 5.531 4.527 0.038 -0.187 0.329 32 F C -1.002 174.814 175.800 0.027 0.000 1.072 32 F CA -1.730 56.297 58.000 0.045 0.000 0.989 32 F CB 3.095 42.081 39.000 -0.024 0.000 1.193 32 F HN -0.695 7.671 8.300 0.181 0.042 0.481 33 E N -2.575 117.723 120.200 0.164 0.000 2.458 33 E HA 0.369 4.770 4.350 0.085 0.000 0.278 33 E C -1.960 174.482 176.600 -0.262 0.000 1.004 33 E CA -1.820 54.613 56.400 0.055 0.000 0.823 33 E CB 3.712 33.532 29.700 0.200 0.000 1.396 33 E HN 0.361 8.804 8.360 0.139 0.000 0.463 34 G N -2.918 105.437 108.800 -0.741 0.000 2.353 34 G HA2 -0.208 1.892 3.960 -3.100 0.000 0.424 34 G HA3 -0.208 3.261 3.960 -1.032 -0.129 0.424 34 G C -1.402 172.660 174.900 -1.396 0.000 1.320 34 G CA -0.434 43.682 45.100 -1.641 0.000 0.995 34 G HN -0.239 7.742 8.290 -0.514 0.000 0.580 35 Y N 0.801 120.183 120.300 -1.530 0.000 2.128 35 Y HA -0.294 3.920 4.550 -0.561 0.000 0.284 35 Y C 1.196 176.929 175.900 -0.278 0.000 1.154 35 Y CA 3.885 61.594 58.100 -0.650 0.000 1.149 35 Y CB 0.710 39.105 38.460 -0.108 0.000 0.976 35 Y HN -0.232 7.279 8.280 -1.280 0.000 0.505 36 C N -3.412 115.881 119.300 -0.012 0.000 2.446 36 C HA -0.401 3.971 4.460 -0.147 0.000 0.279 36 C C 1.465 176.315 174.990 -0.232 0.000 1.366 36 C CA 4.353 63.311 59.018 -0.100 0.000 1.763 36 C CB -0.399 27.328 27.740 -0.021 0.000 1.929 36 C HN -0.197 7.935 8.230 0.022 0.110 0.509 37 I N 0.966 121.397 120.570 -0.232 0.000 2.252 37 I HA -0.386 3.676 4.170 -0.179 0.000 0.245 37 I C 1.778 177.813 176.117 -0.137 0.000 1.102 37 I CA 2.434 63.632 61.300 -0.169 0.000 1.385 37 I CB -1.040 36.905 38.000 -0.092 0.000 1.064 37 I HN -0.811 7.241 8.210 -0.263 0.000 0.414 38 D N -0.129 120.188 120.400 -0.138 0.000 2.117 38 D HA -0.275 4.357 4.640 -0.014 0.000 0.197 38 D C 2.525 178.711 176.300 -0.190 0.000 0.987 38 D CA 3.474 57.425 54.000 -0.081 0.000 0.829 38 D CB -0.353 40.467 40.800 0.033 0.000 0.961 38 D HN -0.212 8.051 8.370 -0.178 0.000 0.460 39 L N 0.470 121.494 121.223 -0.332 0.000 2.017 39 L HA -0.219 3.929 4.340 -0.320 0.000 0.208 39 L C 1.525 178.240 176.870 -0.259 0.000 1.073 39 L CA 2.893 57.520 54.840 -0.355 0.000 0.745 39 L CB -0.128 41.613 42.059 -0.529 0.000 0.894 39 L HN -0.356 7.633 8.230 -0.402 0.000 0.432 40 L N -1.334 119.725 121.223 -0.274 0.000 2.042 40 L HA -0.416 3.771 4.340 -0.255 0.000 0.210 40 L C 1.534 178.224 176.870 -0.300 0.000 1.076 40 L CA 3.285 57.940 54.840 -0.308 0.000 0.749 40 L CB -0.677 41.127 42.059 -0.425 0.000 0.893 40 L HN -0.210 7.849 8.230 -0.285 0.000 0.432 41 R N -1.189 119.202 120.500 -0.182 0.000 2.081 41 R HA -0.404 3.936 4.340 0.001 0.000 0.235 41 R C 2.264 178.499 176.300 -0.107 0.000 1.131 41 R CA 3.225 59.286 56.100 -0.065 0.000 0.960 41 R CB -0.301 30.011 30.300 0.020 0.000 0.856 41 R HN -0.388 7.789 8.270 -0.154 0.000 0.436 42 E N -0.840 119.293 120.200 -0.112 0.000 2.077 42 E HA -0.263 4.041 4.350 -0.076 0.000 0.193 42 E C 2.567 179.098 176.600 -0.115 0.000 0.989 42 E CA 2.498 58.841 56.400 -0.095 0.000 0.800 42 E CB -0.403 29.247 29.700 -0.083 0.000 0.746 42 E HN -0.570 7.719 8.360 -0.118 0.000 0.452 43 L N -1.847 119.299 121.223 -0.129 0.000 2.046 43 L HA -0.384 3.939 4.340 -0.028 0.000 0.208 43 L C 2.305 178.988 176.870 -0.311 0.000 1.077 43 L CA 3.199 57.988 54.840 -0.086 0.000 0.747 43 L CB -0.468 41.621 42.059 0.051 0.000 0.896 43 L HN 0.170 8.317 8.230 -0.137 0.000 0.432 44 S N -0.957 114.362 115.700 -0.634 0.000 2.382 44 S HA -0.302 2.706 4.470 -2.438 0.000 0.228 44 S C 2.469 176.748 174.600 -0.535 0.000 1.027 44 S CA 3.661 61.154 58.200 -1.178 0.000 0.991 44 S CB -0.863 61.915 63.200 -0.704 0.000 0.823 44 S HN 0.064 8.095 8.310 -0.465 0.000 0.469 45 T N 4.224 118.622 114.554 -0.261 0.000 2.851 45 T HA -0.284 3.991 4.350 -0.124 0.000 0.262 45 T C 1.151 175.795 174.700 -0.094 0.000 1.043 45 T CA 3.806 65.825 62.100 -0.135 0.000 1.140 45 T CB 0.092 68.912 68.868 -0.080 0.000 0.872 45 T HN -0.660 7.445 8.240 -0.225 0.000 0.446 46 I N -0.635 119.887 120.570 -0.080 0.000 2.252 46 I HA -0.340 3.822 4.170 -0.012 0.000 0.245 46 I C 1.136 177.260 176.117 0.013 0.000 1.102 46 I CA 2.933 64.222 61.300 -0.020 0.000 1.385 46 I CB 0.396 38.397 38.000 0.003 0.000 1.064 46 I HN -0.429 7.722 8.210 -0.098 0.000 0.414 47 L N -5.442 115.794 121.223 0.023 0.000 2.585 47 L HA 0.141 4.565 4.340 0.139 0.000 0.226 47 L C 0.362 177.327 176.870 0.157 0.000 1.113 47 L CA -0.137 54.795 54.840 0.154 0.000 0.876 47 L CB 0.731 43.019 42.059 0.381 0.000 1.072 47 L HN -0.318 7.885 8.230 -0.045 0.000 0.468 48 G N -1.161 107.643 108.800 0.008 0.000 2.353 48 G HA2 -0.309 3.671 3.960 -0.032 0.000 0.294 48 G HA3 -0.309 3.689 3.960 0.063 0.000 0.294 48 G C -0.668 174.322 174.900 0.150 0.000 1.077 48 G CA 0.245 45.363 45.100 0.031 0.000 1.098 48 G HN -0.483 7.748 8.290 -0.097 0.000 0.511 49 F N -2.263 117.748 119.950 0.101 0.000 2.603 49 F HA 0.536 5.117 4.527 0.090 0.000 0.317 49 F C -1.870 174.000 175.800 0.116 0.000 1.066 49 F CA -2.915 55.147 58.000 0.102 0.000 0.941 49 F CB 2.404 41.459 39.000 0.092 0.000 1.291 49 F HN -0.792 7.285 8.300 -0.371 0.000 0.472 50 T N -3.604 111.163 114.554 0.356 0.000 2.952 50 T HA 0.440 4.842 4.350 0.087 0.000 0.286 50 T C -1.912 173.009 174.700 0.368 0.000 1.024 50 T CA -2.006 60.206 62.100 0.186 0.000 1.029 50 T CB 2.328 71.207 68.868 0.018 0.000 1.094 50 T HN 0.261 8.704 8.240 0.340 0.000 0.515 51 Y N -4.747 115.648 120.300 0.157 0.000 2.656 51 Y HA 0.744 5.578 4.550 0.074 -0.240 0.334 51 Y C -2.309 173.624 175.900 0.056 0.000 1.179 51 Y CA -1.838 56.330 58.100 0.113 0.000 1.050 51 Y CB 3.129 41.698 38.460 0.181 0.000 1.308 51 Y HN -0.122 7.897 8.280 -0.435 0.000 0.456 52 E N 1.355 121.672 120.200 0.194 0.000 2.216 52 E HA 0.389 4.955 4.350 0.109 -0.151 0.260 52 E C -1.171 175.510 176.600 0.133 0.000 0.880 52 E CA -1.951 54.525 56.400 0.127 0.000 0.765 52 E CB 4.028 33.767 29.700 0.065 0.000 1.174 52 E HN 0.209 8.686 8.360 0.195 0.000 0.417 53 I N 7.225 127.878 120.570 0.138 0.000 2.441 53 I HA 0.162 4.455 4.170 -0.086 -0.175 0.287 53 I C -0.052 176.039 176.117 -0.043 0.000 1.049 53 I CA 0.611 61.883 61.300 -0.046 0.000 1.381 53 I CB 0.264 38.114 38.000 -0.249 0.000 1.409 53 I HN 0.195 8.846 8.210 0.190 -0.327 0.523 54 R N 6.878 127.313 120.500 -0.107 0.000 2.532 54 R HA 0.364 4.728 4.340 0.041 0.000 0.297 54 R C -1.508 174.730 176.300 -0.102 0.000 0.984 54 R CA -1.844 54.233 56.100 -0.039 0.000 0.884 54 R CB 3.271 33.564 30.300 -0.013 0.000 1.182 54 R HN 0.465 8.646 8.270 -0.148 0.000 0.442 55 L N 3.768 124.962 121.223 -0.049 0.000 2.455 55 L HA -0.046 4.365 4.340 -0.159 -0.166 0.272 55 L C 0.572 177.406 176.870 -0.060 0.000 1.174 55 L CA 0.036 54.830 54.840 -0.077 0.000 0.869 55 L CB 0.538 42.602 42.059 0.009 0.000 1.130 55 L HN 0.373 8.630 8.230 0.045 0.000 0.474 56 V N 4.144 123.998 119.914 -0.101 0.000 2.557 56 V HA -0.317 4.016 4.120 -0.068 -0.255 0.301 56 V C 0.948 177.018 176.094 -0.039 0.000 1.026 56 V CA 0.944 63.196 62.300 -0.080 0.000 1.137 56 V CB 1.099 32.851 31.823 -0.117 0.000 0.917 56 V HN 0.229 8.335 8.190 -0.140 0.000 0.484 57 E N 9.513 129.703 120.200 -0.016 0.000 2.110 57 E HA -0.288 4.069 4.350 0.013 0.000 0.193 57 E C 0.587 177.193 176.600 0.009 0.000 0.988 57 E CA 2.740 59.143 56.400 0.005 0.000 0.804 57 E CB 0.163 29.870 29.700 0.012 0.000 0.745 57 E HN 0.064 8.622 8.360 -0.017 -0.208 0.458 58 D N -4.414 115.990 120.400 0.005 0.000 2.340 58 D HA -0.028 4.625 4.640 0.022 0.000 0.220 58 D C 0.851 177.158 176.300 0.012 0.000 1.039 58 D CA -0.789 53.221 54.000 0.016 0.000 0.866 58 D CB -0.729 40.088 40.800 0.028 0.000 0.913 58 D HN -0.069 8.301 8.370 -0.000 0.000 0.523 59 G N -0.405 108.386 108.800 -0.014 0.000 2.179 59 G HA2 -0.416 3.509 3.960 -0.059 0.000 0.257 59 G HA3 -0.416 3.543 3.960 -0.002 0.000 0.257 59 G C -0.495 174.385 174.900 -0.033 0.000 1.010 59 G CA 0.786 45.869 45.100 -0.029 0.000 0.736 59 G HN -0.466 7.759 8.290 -0.026 0.050 0.513 60 K N -1.717 118.662 120.400 -0.034 0.000 2.267 60 K HA 0.351 4.717 4.320 0.077 0.000 0.246 60 K C -0.696 175.872 176.600 -0.054 0.000 0.954 60 K CA -2.193 54.109 56.287 0.024 0.000 0.824 60 K CB 2.447 35.002 32.500 0.092 0.000 1.167 60 K HN -0.777 7.659 8.250 -0.036 -0.208 0.431 61 Y N 0.106 120.443 120.300 0.063 0.000 2.153 61 Y HA -0.269 4.300 4.550 0.031 0.000 0.289 61 Y C -0.001 175.963 175.900 0.105 0.000 1.119 61 Y CA 3.335 61.472 58.100 0.062 0.000 1.116 61 Y CB 1.084 39.583 38.460 0.065 0.000 1.004 61 Y HN 0.469 8.979 8.280 0.383 0.000 0.501 62 G N -6.737 102.260 108.800 0.329 0.000 2.350 62 G HA2 -0.135 4.314 3.960 0.304 0.000 0.274 62 G HA3 -0.135 4.079 3.960 0.370 -0.032 0.274 62 G C -3.075 172.084 174.900 0.432 0.000 1.621 62 G CA -0.058 45.255 45.100 0.354 0.000 0.935 62 G HN -0.543 7.955 8.290 0.346 0.000 0.694 63 A N 3.136 126.135 122.820 0.298 0.000 2.594 63 A HA 0.477 4.794 4.320 -0.004 0.000 0.291 63 A C -2.434 174.859 177.584 -0.486 0.000 1.105 63 A CA -0.837 51.180 52.037 -0.033 0.000 0.694 63 A CB 3.813 22.799 19.000 -0.024 0.000 1.291 63 A HN 0.231 8.810 8.150 0.248 -0.280 0.410 64 Q N 0.526 119.719 119.800 -1.012 0.000 2.278 64 Q HA 0.046 3.876 4.340 -1.129 -0.167 0.257 64 Q C -0.827 174.893 176.000 -0.468 0.000 0.928 64 Q CA -1.109 54.053 55.803 -1.067 0.000 0.932 64 Q CB 1.806 29.730 28.738 -1.356 0.000 1.221 64 Q HN 0.330 8.041 8.270 -0.932 0.000 0.434 65 D N 6.341 126.555 120.400 -0.310 0.000 2.417 65 D HA -0.119 4.449 4.640 -0.120 0.000 0.250 65 D C 0.253 176.472 176.300 -0.136 0.000 1.166 65 D CA 0.935 54.842 54.000 -0.155 0.000 0.881 65 D CB 1.812 42.556 40.800 -0.093 0.000 1.164 65 D HN 0.060 8.241 8.370 -0.314 0.000 0.467 66 D N 4.577 124.924 120.400 -0.088 0.000 2.363 66 D HA -0.147 4.439 4.640 -0.089 0.000 0.220 66 D C 0.554 176.831 176.300 -0.038 0.000 0.994 66 D CA 1.772 55.733 54.000 -0.065 0.000 0.890 66 D CB -0.466 40.315 40.800 -0.032 0.000 0.906 66 D HN 0.213 8.544 8.370 -0.064 0.000 0.530 67 V N -4.082 115.813 119.914 -0.032 0.000 2.908 67 V HA 0.167 4.279 4.120 -0.014 0.000 0.240 67 V C 1.264 177.347 176.094 -0.019 0.000 1.117 67 V CA 1.165 63.454 62.300 -0.018 0.000 1.133 67 V CB 1.207 33.026 31.823 -0.006 0.000 0.857 67 V HN -0.461 7.895 8.190 -0.036 -0.187 0.478 68 N N -0.167 118.518 118.700 -0.025 0.000 2.254 68 N HA 0.036 4.771 4.740 -0.010 0.000 0.190 68 N C 1.065 176.561 175.510 -0.024 0.000 1.107 68 N CA -0.443 52.597 53.050 -0.017 0.000 0.869 68 N CB 0.651 39.133 38.487 -0.008 0.000 0.983 68 N HN -0.281 8.350 8.380 -0.031 -0.270 0.487 69 G N -0.114 108.652 108.800 -0.057 0.000 2.179 69 G HA2 -0.497 3.471 3.960 -0.109 0.000 0.260 69 G HA3 -0.497 3.444 3.960 -0.031 0.000 0.260 69 G C -0.666 174.187 174.900 -0.079 0.000 0.977 69 G CA 0.368 45.425 45.100 -0.071 0.000 0.641 69 G HN -0.283 7.962 8.290 -0.074 0.000 0.533 70 Q N -0.439 119.324 119.800 -0.062 0.000 2.259 70 Q HA 0.092 4.485 4.340 0.089 0.000 0.246 70 Q C -0.501 175.453 176.000 -0.077 0.000 0.920 70 Q CA -0.768 55.041 55.803 0.009 0.000 0.895 70 Q CB 1.370 30.130 28.738 0.037 0.000 1.220 70 Q HN -0.309 8.191 8.270 -0.059 -0.264 0.439 71 W N 0.624 121.933 121.300 0.014 0.000 2.283 71 W HA 0.355 5.222 4.660 0.022 -0.193 0.341 71 W C 0.081 176.611 176.519 0.018 0.000 1.206 71 W CA -0.167 57.188 57.345 0.017 0.000 1.294 71 W CB 1.786 31.252 29.460 0.010 0.000 1.154 71 W HN 0.336 8.755 8.180 0.399 0.000 0.613 72 N N -2.766 116.111 118.700 0.295 0.000 3.091 72 N HA 0.153 4.985 4.740 0.153 0.000 0.329 72 N C 0.064 175.684 175.510 0.185 0.000 1.430 72 N CA -1.805 51.353 53.050 0.181 0.000 0.755 72 N CB 1.851 40.405 38.487 0.112 0.000 1.626 72 N HN -0.277 8.312 8.380 0.348 0.000 0.614 73 G N -2.216 106.649 108.800 0.107 0.000 2.601 73 G HA2 -0.450 3.805 3.960 0.030 0.000 0.252 73 G HA3 -0.450 3.615 3.960 0.096 -0.048 0.252 73 G C 0.387 175.300 174.900 0.022 0.000 1.294 73 G CA 0.577 45.717 45.100 0.066 0.000 0.912 73 G HN -0.044 8.703 8.290 0.085 -0.405 0.574 74 M N 1.822 121.410 119.600 -0.020 0.000 2.213 74 M HA -0.427 4.004 4.480 -0.081 0.000 0.263 74 M C 2.415 178.671 176.300 -0.073 0.000 1.062 74 M CA 3.875 59.134 55.300 -0.068 0.000 1.105 74 M CB 0.201 32.740 32.600 -0.102 0.000 1.385 74 M HN -0.291 7.983 8.290 -0.026 0.000 0.417 75 V N -0.845 119.048 119.914 -0.036 0.000 2.295 75 V HA -0.579 3.402 4.120 -0.231 0.000 0.246 75 V C 1.526 177.538 176.094 -0.138 0.000 1.049 75 V CA 4.131 66.342 62.300 -0.149 0.000 1.024 75 V CB -0.394 31.321 31.823 -0.180 0.000 0.648 75 V HN -0.545 7.654 8.190 0.032 0.011 0.447 76 R N -1.187 119.318 120.500 0.010 0.000 2.096 76 R HA -0.343 4.016 4.340 0.031 0.000 0.235 76 R C 1.914 178.205 176.300 -0.014 0.000 1.127 76 R CA 2.659 58.784 56.100 0.041 0.000 0.968 76 R CB -0.830 29.548 30.300 0.131 0.000 0.861 76 R HN -0.733 7.588 8.270 0.085 0.000 0.440 77 E N -0.669 119.511 120.200 -0.034 0.000 2.097 77 E HA -0.325 4.008 4.350 -0.029 0.000 0.196 77 E C 2.575 179.122 176.600 -0.088 0.000 1.000 77 E CA 2.821 59.190 56.400 -0.052 0.000 0.804 77 E CB -0.662 28.997 29.700 -0.069 0.000 0.740 77 E HN -0.631 7.711 8.360 -0.030 0.000 0.454 78 L N -1.091 120.047 121.223 -0.141 0.000 2.044 78 L HA -0.207 3.999 4.340 -0.224 0.000 0.205 78 L C 3.165 179.934 176.870 -0.168 0.000 1.075 78 L CA 2.708 57.425 54.840 -0.206 0.000 0.747 78 L CB 0.043 41.940 42.059 -0.269 0.000 0.903 78 L HN -0.600 7.535 8.230 -0.147 0.007 0.435 79 I N -0.576 119.914 120.570 -0.133 0.000 2.194 79 I HA -0.458 3.673 4.170 -0.064 0.000 0.246 79 I C 1.562 177.729 176.117 0.083 0.000 1.093 79 I CA 3.625 64.891 61.300 -0.056 0.000 1.355 79 I CB -0.107 37.836 38.000 -0.096 0.000 1.046 79 I HN -0.194 7.920 8.210 -0.160 0.000 0.413 80 D N -4.188 116.246 120.400 0.058 0.000 2.340 80 D HA 0.056 4.748 4.640 0.086 0.000 0.220 80 D C -0.760 175.641 176.300 0.167 0.000 1.039 80 D CA 0.409 54.463 54.000 0.089 0.000 0.866 80 D CB -0.108 40.720 40.800 0.046 0.000 0.913 80 D HN -0.520 7.844 8.370 0.013 0.014 0.523 81 H N -4.859 114.176 119.070 -0.057 0.000 2.862 81 H HA -0.331 4.185 4.556 -0.067 0.000 0.290 81 H C 0.082 175.381 175.328 -0.048 0.000 1.211 81 H CA 1.468 57.483 56.048 -0.055 0.000 1.140 81 H CB -2.660 27.077 29.762 -0.042 0.000 1.341 81 H HN -0.153 7.995 8.280 0.092 0.187 0.392 82 K N -3.738 116.670 120.400 0.014 0.000 2.361 82 K HA -0.043 4.282 4.320 0.007 0.000 0.196 82 K C -1.392 175.178 176.600 -0.049 0.000 1.039 82 K CA 0.980 57.262 56.287 -0.009 0.000 1.001 82 K CB 0.899 33.394 32.500 -0.008 0.000 0.795 82 K HN -0.343 7.876 8.250 0.002 0.032 0.495 83 A N -3.367 119.395 122.820 -0.096 0.000 2.435 83 A HA 0.201 4.455 4.320 -0.110 0.000 0.304 83 A C -1.993 175.480 177.584 -0.185 0.000 1.064 83 A CA -1.205 50.754 52.037 -0.130 0.000 0.727 83 A CB 2.603 21.520 19.000 -0.138 0.000 1.284 83 A HN -0.878 7.204 8.150 -0.114 0.000 0.415 84 D N 0.175 120.454 120.400 -0.202 0.000 2.183 84 D HA 0.017 4.508 4.640 -0.249 0.000 0.205 84 D C -0.374 175.747 176.300 -0.297 0.000 0.962 84 D CA 3.231 57.075 54.000 -0.261 0.000 0.849 84 D CB 1.885 42.496 40.800 -0.314 0.000 0.978 84 D HN -0.066 8.192 8.370 -0.186 0.000 0.488 85 L N -3.790 117.263 121.223 -0.284 0.000 2.434 85 L HA 0.675 5.050 4.340 -0.250 -0.185 0.260 85 L C -2.666 174.077 176.870 -0.212 0.000 0.983 85 L CA -1.456 53.225 54.840 -0.265 0.000 0.820 85 L CB 5.142 47.014 42.059 -0.312 0.000 1.361 85 L HN -0.667 7.408 8.230 -0.259 0.000 0.410 86 A N 1.377 124.089 122.820 -0.180 0.000 2.273 86 A HA 0.825 5.262 4.320 -0.162 -0.215 0.315 86 A C -1.365 176.161 177.584 -0.097 0.000 1.256 86 A CA -1.801 50.148 52.037 -0.147 0.000 0.851 86 A CB 1.890 20.809 19.000 -0.136 0.000 1.172 86 A HN 0.612 8.551 8.150 -0.177 0.104 0.508 87 V N 4.878 124.718 119.914 -0.124 0.000 2.293 87 V HA 0.336 4.438 4.120 -0.030 0.000 0.275 87 V C -1.992 174.041 176.094 -0.102 0.000 1.021 87 V CA -0.696 61.542 62.300 -0.104 0.000 0.815 87 V CB 0.177 31.892 31.823 -0.179 0.000 1.025 87 V HN -0.148 7.945 8.190 -0.161 0.000 0.448 88 A N 6.082 128.893 122.820 -0.014 0.000 2.515 88 A HA 0.358 4.623 4.320 -0.092 0.000 0.292 88 A C -2.894 174.647 177.584 -0.072 0.000 1.065 88 A CA -1.279 50.719 52.037 -0.065 0.000 0.641 88 A CB 1.694 20.627 19.000 -0.112 0.000 1.306 88 A HN 0.203 8.406 8.150 0.088 0.000 0.441 89 P HA 0.008 3.601 4.420 -1.378 0.000 0.237 89 P C -2.305 174.530 177.300 -0.775 0.000 1.788 89 P CA -0.160 62.224 63.100 -1.193 0.000 1.061 89 P CB -1.947 28.643 31.700 -1.849 0.000 1.967 90 L N 3.542 124.615 121.223 -0.251 0.000 2.262 90 L HA 0.128 4.565 4.340 0.162 0.000 0.288 90 L C -1.945 175.041 176.870 0.193 0.000 1.035 90 L CA -1.556 53.350 54.840 0.110 0.000 0.820 90 L CB 1.823 44.019 42.059 0.228 0.000 1.204 90 L HN -0.416 7.691 8.230 -0.146 0.036 0.424 91 A N 6.943 129.870 122.820 0.178 0.000 2.477 91 A HA 0.181 4.731 4.320 0.092 -0.174 0.246 91 A C -0.052 177.407 177.584 -0.209 0.000 1.078 91 A CA -0.725 51.344 52.037 0.055 0.000 0.770 91 A CB 0.507 19.515 19.000 0.013 0.000 1.011 91 A HN 0.399 8.631 8.150 0.136 0.000 0.494 92 I N 4.364 124.610 120.570 -0.540 0.000 2.379 92 I HA -0.029 2.954 4.170 -1.979 0.000 0.290 92 I C -0.657 175.182 176.117 -0.462 0.000 1.063 92 I CA 0.773 61.445 61.300 -1.047 0.000 1.351 92 I CB -0.509 36.970 38.000 -0.868 0.000 1.410 92 I HN -0.024 7.933 8.210 -0.421 0.000 0.505 93 T N 4.762 119.144 114.554 -0.287 0.000 2.906 93 T HA 0.351 4.676 4.350 -0.043 0.000 0.295 93 T C 0.378 175.113 174.700 0.059 0.000 1.075 93 T CA -2.897 59.180 62.100 -0.037 0.000 1.005 93 T CB 2.761 71.667 68.868 0.063 0.000 1.136 93 T HN -0.315 7.738 8.240 -0.312 0.000 0.498 94 Y N 3.876 124.181 120.300 0.007 0.000 2.081 94 Y HA -0.433 4.130 4.550 0.021 0.000 0.280 94 Y C 0.827 176.780 175.900 0.088 0.000 1.163 94 Y CA 3.466 61.587 58.100 0.034 0.000 1.135 94 Y CB -0.663 37.811 38.460 0.024 0.000 0.970 94 Y HN 0.384 8.808 8.280 0.241 0.000 0.498 95 V N -6.103 113.841 119.914 0.050 0.000 2.515 95 V HA -0.335 3.665 4.120 -0.200 0.000 0.250 95 V C 1.286 177.449 176.094 0.114 0.000 1.058 95 V CA 2.550 64.878 62.300 0.045 0.000 1.064 95 V CB -0.495 31.498 31.823 0.282 0.000 0.675 95 V HN -0.404 7.924 8.190 0.230 0.000 0.461 96 R N -0.710 119.868 120.500 0.131 0.000 2.090 96 R HA -0.179 3.994 4.340 -0.278 0.000 0.228 96 R C 1.839 178.155 176.300 0.027 0.000 1.110 96 R CA 3.204 59.309 56.100 0.008 0.000 0.973 96 R CB 0.113 30.551 30.300 0.230 0.000 0.869 96 R HN -0.786 7.586 8.270 0.171 0.000 0.440 97 E N -1.022 119.249 120.200 0.120 0.000 2.338 97 E HA -0.166 4.453 4.350 0.222 -0.136 0.197 97 E C 1.213 177.790 176.600 -0.040 0.000 1.007 97 E CA 1.668 58.136 56.400 0.114 0.000 0.849 97 E CB -0.389 29.367 29.700 0.095 0.000 0.774 97 E HN -0.378 8.039 8.360 0.095 0.000 0.506 98 K N -2.950 117.376 120.400 -0.124 0.000 2.365 98 K HA -0.174 4.080 4.320 -0.110 0.000 0.199 98 K C 1.197 177.730 176.600 -0.112 0.000 1.045 98 K CA 2.223 58.431 56.287 -0.131 0.000 0.962 98 K CB 0.363 32.753 32.500 -0.184 0.000 0.759 98 K HN -0.686 7.447 8.250 -0.153 0.026 0.469 99 V N -8.329 111.478 119.914 -0.179 0.000 3.473 99 V HA 0.204 4.226 4.120 -0.162 0.000 0.253 99 V C -1.046 174.876 176.094 -0.286 0.000 1.340 99 V CA 0.037 62.188 62.300 -0.249 0.000 1.103 99 V CB 2.589 34.152 31.823 -0.432 0.000 0.881 99 V HN -0.491 7.423 8.190 -0.205 0.153 0.451 100 I N -5.313 115.069 120.570 -0.312 0.000 3.206 100 I HA 0.320 4.318 4.170 -0.287 0.000 0.313 100 I C -2.360 173.589 176.117 -0.280 0.000 1.103 100 I CA -2.233 58.859 61.300 -0.345 0.000 0.985 100 I CB 3.015 40.711 38.000 -0.507 0.000 1.240 100 I HN -0.386 7.647 8.210 -0.294 0.000 0.464 101 D N -0.782 119.442 120.400 -0.293 0.000 2.268 101 D HA 0.659 5.425 4.640 -0.062 -0.163 0.249 101 D C -0.832 175.289 176.300 -0.299 0.000 1.008 101 D CA -1.601 52.299 54.000 -0.168 0.000 0.939 101 D CB 3.690 44.440 40.800 -0.084 0.000 1.170 101 D HN -0.231 7.953 8.370 -0.309 0.000 0.468 102 F N -1.518 118.412 119.950 -0.035 0.000 2.565 102 F HA 0.559 5.281 4.527 -0.009 -0.200 0.313 102 F C 0.438 176.245 175.800 0.013 0.000 1.091 102 F CA -1.438 56.556 58.000 -0.011 0.000 0.915 102 F CB 4.636 43.628 39.000 -0.014 0.000 1.208 102 F HN -0.442 8.143 8.300 0.255 -0.132 0.453 103 S N 2.765 118.612 115.700 0.245 0.000 2.572 103 S HA 0.019 4.576 4.470 0.145 0.000 0.267 103 S C 0.626 175.325 174.600 0.165 0.000 1.361 103 S CA -0.252 58.060 58.200 0.186 0.000 1.009 103 S CB 1.013 64.333 63.200 0.200 0.000 0.888 103 S HN 0.493 8.944 8.310 0.235 0.000 0.553 104 K N 0.945 121.414 120.400 0.115 0.000 2.286 104 K HA -0.030 4.313 4.320 0.038 0.000 0.256 104 K C -1.364 175.280 176.600 0.074 0.000 0.999 104 K CA -0.216 56.113 56.287 0.069 0.000 0.908 104 K CB -0.980 31.553 32.500 0.055 0.000 0.981 104 K HN -0.114 8.202 8.250 0.110 0.000 0.500 105 P HA 0.121 4.672 4.420 -0.152 -0.222 0.275 105 P C -0.513 176.811 177.300 0.041 0.000 1.227 105 P CA -0.369 62.682 63.100 -0.082 0.000 0.781 105 P CB 0.416 32.021 31.700 -0.159 0.000 0.906 106 F N -0.396 119.625 119.950 0.118 0.000 2.746 106 F HA 0.244 4.848 4.527 0.128 0.000 0.297 106 F C -0.950 174.939 175.800 0.148 0.000 1.113 106 F CA -1.060 57.035 58.000 0.157 0.000 1.367 106 F CB 0.995 40.133 39.000 0.229 0.000 1.111 106 F HN 0.096 8.164 8.300 -0.386 0.000 0.590 107 M N -2.035 117.490 119.600 -0.125 0.000 2.413 107 M HA 0.320 4.782 4.480 -0.030 0.000 0.287 107 M C -2.494 173.623 176.300 -0.305 0.000 1.186 107 M CA -0.122 55.101 55.300 -0.128 0.000 0.927 107 M CB 3.890 36.463 32.600 -0.046 0.000 1.715 107 M HN -0.791 7.282 8.290 -0.362 0.000 0.478 108 T N 5.013 119.410 114.554 -0.263 0.000 2.887 108 T HA 0.830 5.112 4.350 -0.358 -0.147 0.288 108 T C -1.361 173.152 174.700 -0.311 0.000 1.021 108 T CA -2.053 59.870 62.100 -0.294 0.000 1.000 108 T CB 0.949 69.705 68.868 -0.187 0.000 1.034 108 T HN -0.031 8.088 8.240 -0.202 0.000 0.467 109 L N -0.229 120.792 121.223 -0.337 0.000 2.963 109 L HA 0.778 4.979 4.340 -0.232 0.000 0.273 109 L C -2.812 173.897 176.870 -0.268 0.000 1.078 109 L CA -0.988 53.669 54.840 -0.306 0.000 0.970 109 L CB 2.294 44.096 42.059 -0.428 0.000 1.564 109 L HN 0.191 8.222 8.230 -0.333 0.000 0.381 110 G N -4.130 104.532 108.800 -0.229 0.000 2.677 110 G HA2 0.638 4.510 3.960 -0.283 0.000 0.291 110 G HA3 0.638 4.611 3.960 -0.227 -0.149 0.291 110 G C -2.263 172.503 174.900 -0.224 0.000 1.435 110 G CA -0.425 44.529 45.100 -0.244 0.000 0.826 110 G HN -0.375 7.799 8.290 -0.194 0.000 0.491 111 I N -0.267 120.126 120.570 -0.295 0.000 2.648 111 I HA -0.159 4.012 4.170 -0.190 -0.115 0.284 111 I C -1.374 174.634 176.117 -0.181 0.000 1.153 111 I CA 2.043 63.191 61.300 -0.254 0.000 1.426 111 I CB -0.013 37.760 38.000 -0.378 0.000 1.381 111 I HN 0.287 8.627 8.210 -0.383 -0.360 0.571 112 S N 4.082 119.720 115.700 -0.104 0.000 2.903 112 S HA 0.546 4.975 4.470 -0.068 0.000 0.314 112 S C -1.944 172.636 174.600 -0.033 0.000 1.177 112 S CA -2.553 55.611 58.200 -0.058 0.000 0.859 112 S CB 2.952 66.133 63.200 -0.032 0.000 1.265 112 S HN 0.456 8.713 8.310 -0.089 0.000 0.584 113 I N -0.036 120.533 120.570 -0.003 0.000 2.465 113 I HA 0.338 4.659 4.170 -0.013 -0.159 0.291 113 I C -1.858 174.310 176.117 0.085 0.000 1.014 113 I CA -0.816 60.490 61.300 0.009 0.000 1.093 113 I CB 3.231 41.217 38.000 -0.023 0.000 1.267 113 I HN -0.005 8.210 8.210 0.007 0.000 0.431 114 L N 8.060 129.372 121.223 0.150 0.000 2.282 114 L HA 0.699 5.321 4.340 0.194 -0.165 0.288 114 L C -2.467 174.589 176.870 0.309 0.000 1.033 114 L CA -1.389 53.586 54.840 0.226 0.000 0.807 114 L CB 2.347 44.582 42.059 0.293 0.000 1.209 114 L HN 0.420 8.739 8.230 0.150 0.000 0.423 115 Y N 6.915 127.273 120.300 0.097 0.000 2.744 115 Y HA 0.410 5.025 4.550 0.109 0.000 0.330 115 Y C -2.092 173.852 175.900 0.074 0.000 1.263 115 Y CA -2.230 55.922 58.100 0.086 0.000 1.065 115 Y CB 3.965 42.457 38.460 0.053 0.000 1.306 115 Y HN 0.360 8.800 8.280 0.267 0.000 0.459 116 R N -0.066 120.127 120.500 -0.511 0.000 2.707 116 R HA 0.290 4.655 4.340 -0.195 -0.142 0.270 116 R C -0.390 175.740 176.300 -0.284 0.000 1.083 116 R CA -0.360 55.502 56.100 -0.396 0.000 1.182 116 R CB 1.116 31.114 30.300 -0.504 0.000 1.084 116 R HN 0.289 7.858 8.270 -1.169 0.000 0.528 117 K N 1.748 122.061 120.400 -0.144 0.000 2.090 117 K HA -0.033 4.264 4.320 -0.039 0.000 0.250 117 K C 0.614 177.169 176.600 -0.074 0.000 1.004 117 K CA 0.253 56.498 56.287 -0.070 0.000 0.919 117 K CB 0.755 33.235 32.500 -0.033 0.000 1.045 117 K HN -0.367 7.810 8.250 -0.122 0.000 0.471 118 G N -0.466 108.319 108.800 -0.026 0.000 2.157 118 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.239 118 G HA3 -0.092 3.854 3.960 -0.023 0.000 0.239 118 G C -0.877 174.026 174.900 0.005 0.000 0.982 118 G CA -0.326 44.767 45.100 -0.013 0.000 0.650 118 G HN 0.276 8.561 8.290 -0.007 0.000 0.527 119 T N -1.857 112.714 114.554 0.029 0.000 2.949 119 T HA 0.475 4.860 4.350 0.057 0.000 0.287 119 T C -1.574 173.175 174.700 0.082 0.000 1.034 119 T CA -3.774 58.371 62.100 0.075 0.000 1.018 119 T CB 2.115 71.086 68.868 0.170 0.000 1.135 119 T HN -0.613 7.647 8.240 0.033 0.000 0.532 120 P HA 0.177 4.624 4.420 0.045 0.000 0.249 120 P C -0.984 176.349 177.300 0.055 0.000 1.229 120 P CA -0.181 62.951 63.100 0.055 0.000 0.788 120 P CB 0.231 31.955 31.700 0.040 0.000 1.072 121 I N 0.491 121.115 120.570 0.089 0.000 2.517 121 I HA -0.291 3.883 4.170 0.005 0.000 0.285 121 I C -0.899 175.243 176.117 0.041 0.000 1.106 121 I CA -0.634 60.691 61.300 0.042 0.000 1.402 121 I CB -1.038 36.971 38.000 0.015 0.000 1.399 121 I HN -0.632 7.609 8.210 0.141 0.054 0.535 122 D N 5.163 125.567 120.400 0.007 0.000 2.520 122 D HA 0.088 4.744 4.640 0.028 0.000 0.223 122 D C -1.723 174.576 176.300 -0.002 0.000 1.186 122 D CA -0.281 53.726 54.000 0.012 0.000 0.821 122 D CB 2.679 43.485 40.800 0.011 0.000 1.072 122 D HN 0.390 9.089 8.370 -0.010 -0.335 0.518 123 S N -5.817 109.868 115.700 -0.025 0.000 2.595 123 S HA 0.236 4.701 4.470 -0.008 0.000 0.270 123 S C -0.347 174.222 174.600 -0.053 0.000 1.145 123 S CA -1.485 56.703 58.200 -0.021 0.000 0.825 123 S CB 2.897 66.091 63.200 -0.010 0.000 1.107 123 S HN -1.049 7.236 8.310 -0.042 0.000 0.461 124 A N 1.584 124.398 122.820 -0.010 0.000 1.940 124 A HA -0.380 3.875 4.320 -0.107 0.000 0.219 124 A C 1.127 178.674 177.584 -0.062 0.000 1.176 124 A CA 3.126 55.156 52.037 -0.012 0.000 0.631 124 A CB -0.407 18.725 19.000 0.220 0.000 0.814 124 A HN 0.644 8.814 8.150 0.032 0.000 0.446 125 D N -2.868 117.511 120.400 -0.035 0.000 2.149 125 D HA -0.321 4.278 4.640 -0.070 0.000 0.198 125 D C 1.604 177.850 176.300 -0.090 0.000 0.990 125 D CA 2.929 56.890 54.000 -0.065 0.000 0.839 125 D CB -0.127 40.640 40.800 -0.055 0.000 0.948 125 D HN -0.098 8.266 8.370 -0.010 0.000 0.460 126 D N -1.182 119.163 120.400 -0.092 0.000 2.144 126 D HA -0.221 4.373 4.640 -0.077 0.000 0.199 126 D C 0.928 177.136 176.300 -0.154 0.000 0.984 126 D CA 2.425 56.366 54.000 -0.098 0.000 0.834 126 D CB -0.477 40.276 40.800 -0.078 0.000 0.955 126 D HN -0.442 7.793 8.370 -0.079 0.088 0.465 127 L N -1.991 119.083 121.223 -0.249 0.000 2.056 127 L HA -0.221 3.931 4.340 -0.312 0.000 0.207 127 L C 2.056 178.707 176.870 -0.365 0.000 1.078 127 L CA 2.259 56.862 54.840 -0.396 0.000 0.749 127 L CB 0.043 41.670 42.059 -0.720 0.000 0.901 127 L HN -0.453 7.627 8.230 -0.249 0.000 0.433 128 A N -1.927 120.709 122.820 -0.306 0.000 1.978 128 A HA -0.207 4.010 4.320 -0.172 0.000 0.220 128 A C 0.743 178.275 177.584 -0.085 0.000 1.170 128 A CA 2.403 54.340 52.037 -0.167 0.000 0.636 128 A CB -0.039 18.914 19.000 -0.078 0.000 0.810 128 A HN -0.224 7.763 8.150 -0.271 0.000 0.448 129 K N -4.507 115.841 120.400 -0.087 0.000 2.505 129 K HA -0.113 4.187 4.320 -0.033 0.000 0.192 129 K C -0.060 176.513 176.600 -0.045 0.000 1.025 129 K CA 0.340 56.597 56.287 -0.050 0.000 1.086 129 K CB -0.174 32.300 32.500 -0.044 0.000 0.840 129 K HN -0.555 7.609 8.250 -0.105 0.023 0.514 130 Q N -1.356 118.403 119.800 -0.068 0.000 2.626 130 Q HA 0.203 4.527 4.340 -0.026 0.000 0.300 130 Q C -1.998 173.948 176.000 -0.090 0.000 0.988 130 Q CA -0.550 55.222 55.803 -0.052 0.000 0.761 130 Q CB 1.323 30.035 28.738 -0.043 0.000 1.494 130 Q HN -0.615 7.532 8.270 -0.095 0.066 0.439 131 T N -9.787 104.745 114.554 -0.037 0.000 3.080 131 T HA 0.222 4.449 4.350 -0.205 0.000 0.280 131 T C 0.862 175.606 174.700 0.074 0.000 0.926 131 T CA -0.741 61.353 62.100 -0.010 0.000 0.883 131 T CB 1.246 70.218 68.868 0.175 0.000 1.194 131 T HN -0.059 8.180 8.240 -0.002 0.000 0.541 132 K N 2.224 122.656 120.400 0.053 0.000 2.057 132 K HA -0.217 4.154 4.320 0.085 0.000 0.207 132 K C 0.492 177.150 176.600 0.096 0.000 1.049 132 K CA 2.063 58.395 56.287 0.075 0.000 0.931 132 K CB -0.124 32.411 32.500 0.060 0.000 0.714 132 K HN -0.276 8.043 8.250 0.033 -0.049 0.440 133 I N 0.095 120.707 120.570 0.070 0.000 2.312 133 I HA -0.110 4.290 4.170 0.143 -0.144 0.291 133 I C -0.511 175.658 176.117 0.088 0.000 1.031 133 I CA -0.319 61.033 61.300 0.086 0.000 1.293 133 I CB 0.100 38.096 38.000 -0.007 0.000 1.403 133 I HN -0.352 8.245 8.210 0.036 -0.366 0.484 134 E N 7.294 127.597 120.200 0.172 0.000 2.345 134 E HA 0.040 4.485 4.350 0.157 0.000 0.259 134 E C -1.551 175.070 176.600 0.035 0.000 1.117 134 E CA -0.626 55.893 56.400 0.199 0.000 0.913 134 E CB 2.207 32.119 29.700 0.353 0.000 1.057 134 E HN -0.138 8.353 8.360 0.219 0.000 0.432 135 Y N -5.743 114.556 120.300 -0.001 0.000 2.592 135 Y HA 1.030 5.249 4.550 -0.906 -0.213 0.334 135 Y C -1.607 174.236 175.900 -0.095 0.000 1.136 135 Y CA -2.066 55.804 58.100 -0.383 0.000 1.042 135 Y CB 3.346 41.598 38.460 -0.347 0.000 1.325 135 Y HN -0.008 8.164 8.280 -0.181 0.000 0.457 136 G N -2.705 106.100 108.800 0.010 0.000 2.578 136 G HA2 0.494 4.542 3.960 0.146 0.000 0.302 136 G HA3 0.494 4.911 3.960 0.371 -0.234 0.302 136 G C -3.389 171.638 174.900 0.212 0.000 1.243 136 G CA 0.011 45.244 45.100 0.222 0.000 0.843 136 G HN -0.359 7.851 8.290 -0.132 0.000 0.486 137 A N -3.326 119.678 122.820 0.308 0.000 2.586 137 A HA 0.661 4.773 4.320 -0.346 0.000 0.290 137 A C -1.992 175.802 177.584 0.350 0.000 1.086 137 A CA -0.984 51.104 52.037 0.086 0.000 0.665 137 A CB 3.102 22.128 19.000 0.043 0.000 1.279 137 A HN -0.486 7.899 8.150 0.392 0.000 0.423 138 V N -0.008 120.076 119.914 0.283 0.000 2.529 138 V HA -0.159 4.355 4.120 0.366 -0.174 0.292 138 V C 0.106 176.339 176.094 0.231 0.000 1.028 138 V CA 0.776 63.258 62.300 0.303 0.000 1.074 138 V CB 0.175 32.145 31.823 0.246 0.000 0.958 138 V HN 0.567 8.839 8.190 0.138 0.000 0.481 139 E N 8.700 129.036 120.200 0.227 0.000 2.376 139 E HA -0.403 4.074 4.350 0.211 0.000 0.266 139 E C -0.381 176.330 176.600 0.185 0.000 1.009 139 E CA 1.425 57.944 56.400 0.198 0.000 0.902 139 E CB 0.534 30.335 29.700 0.167 0.000 0.972 139 E HN 0.050 8.547 8.360 0.228 0.000 0.439 140 D N 2.465 122.963 120.400 0.163 0.000 2.981 140 D HA -0.298 4.412 4.640 0.117 0.000 0.223 140 D C -0.969 175.443 176.300 0.188 0.000 1.151 140 D CA 1.770 55.860 54.000 0.150 0.000 0.827 140 D CB -1.117 39.766 40.800 0.138 0.000 1.101 140 D HN -0.118 8.349 8.370 0.162 0.000 0.426 141 G N -4.063 104.831 108.800 0.157 0.000 2.820 141 G HA2 0.357 4.413 3.960 0.159 0.000 0.291 141 G HA3 0.357 4.331 3.960 0.023 0.000 0.291 141 G C -1.048 173.898 174.900 0.078 0.000 1.323 141 G CA -1.477 43.685 45.100 0.104 0.000 1.055 141 G HN -0.969 7.367 8.290 0.146 0.041 0.520 142 A N -1.254 121.584 122.820 0.029 0.000 1.930 142 A HA -0.278 4.095 4.320 0.088 0.000 0.217 142 A C 2.202 179.821 177.584 0.058 0.000 1.175 142 A CA 3.343 55.408 52.037 0.048 0.000 0.627 142 A CB -0.597 18.409 19.000 0.009 0.000 0.815 142 A HN 0.601 8.730 8.150 -0.036 0.000 0.443 143 T N 1.882 116.460 114.554 0.039 0.000 2.708 143 T HA -0.447 3.961 4.350 0.097 0.000 0.266 143 T C 1.657 176.529 174.700 0.287 0.000 1.037 143 T CA 4.953 67.127 62.100 0.124 0.000 1.146 143 T CB -0.307 68.593 68.868 0.053 0.000 0.865 143 T HN -0.162 8.075 8.240 -0.005 0.000 0.435 144 M N 2.341 122.060 119.600 0.199 0.000 2.080 144 M HA -0.443 4.222 4.480 0.308 0.000 0.260 144 M C 1.475 177.771 176.300 -0.007 0.000 1.068 144 M CA 4.341 59.755 55.300 0.190 0.000 1.109 144 M CB -0.187 32.518 32.600 0.175 0.000 1.342 144 M HN 0.035 8.412 8.290 0.145 0.000 0.405 145 T N 1.697 116.247 114.554 -0.008 0.000 2.821 145 T HA -0.432 3.789 4.350 -0.216 0.000 0.267 145 T C 1.669 176.300 174.700 -0.116 0.000 1.046 145 T CA 4.566 66.607 62.100 -0.099 0.000 1.139 145 T CB -0.242 68.625 68.868 -0.001 0.000 0.871 145 T HN -0.500 7.769 8.240 0.048 0.000 0.454 146 F N 3.192 123.050 119.950 -0.154 0.000 2.095 146 F HA -0.508 3.889 4.527 -0.216 0.000 0.298 146 F C 0.958 176.560 175.800 -0.330 0.000 1.104 146 F CA 3.879 61.728 58.000 -0.251 0.000 1.232 146 F CB 0.082 38.885 39.000 -0.329 0.000 0.987 146 F HN -0.360 8.046 8.300 0.176 0.000 0.475 147 F N -2.880 116.970 119.950 -0.166 0.000 2.146 147 F HA -0.455 3.938 4.527 -0.223 0.000 0.298 147 F C 2.686 178.164 175.800 -0.537 0.000 1.096 147 F CA 3.863 61.748 58.000 -0.192 0.000 1.275 147 F CB -0.167 38.960 39.000 0.213 0.000 1.008 147 F HN -0.524 7.923 8.300 0.245 0.000 0.480 148 K N -1.237 118.620 120.400 -0.906 0.000 2.103 148 K HA -0.355 2.398 4.320 -2.613 0.000 0.207 148 K C 1.492 177.694 176.600 -0.664 0.000 1.048 148 K CA 2.678 58.067 56.287 -1.497 0.000 0.930 148 K CB -0.076 31.607 32.500 -1.362 0.000 0.716 148 K HN -0.081 7.698 8.250 -0.785 0.000 0.444 149 R N -4.707 115.512 120.500 -0.467 0.000 2.280 149 R HA -0.017 4.178 4.340 -0.243 0.000 0.195 149 R C -0.090 176.022 176.300 -0.313 0.000 0.935 149 R CA 0.245 56.159 56.100 -0.311 0.000 1.033 149 R CB 0.505 30.658 30.300 -0.245 0.000 0.964 149 R HN -0.600 7.362 8.270 -0.483 0.018 0.489 150 S N -0.180 115.271 115.700 -0.415 0.000 2.565 150 S HA -0.019 4.197 4.470 -0.423 0.000 0.276 150 S C 0.058 174.559 174.600 -0.164 0.000 1.326 150 S CA 0.144 58.106 58.200 -0.397 0.000 1.045 150 S CB 0.923 63.789 63.200 -0.557 0.000 0.918 150 S HN -0.641 7.286 8.310 -0.458 0.108 0.505 151 K N 4.351 124.672 120.400 -0.132 0.000 2.358 151 K HA 0.076 4.369 4.320 -0.044 0.000 0.197 151 K C -0.024 176.543 176.600 -0.055 0.000 1.025 151 K CA -0.418 55.828 56.287 -0.068 0.000 1.104 151 K CB 0.296 32.757 32.500 -0.066 0.000 0.855 151 K HN 0.082 8.239 8.250 -0.155 0.000 0.531 152 I N 2.804 123.338 120.570 -0.061 0.000 2.533 152 I HA -0.132 3.984 4.170 -0.089 0.000 0.284 152 I C 1.490 177.531 176.117 -0.127 0.000 1.109 152 I CA 0.456 61.701 61.300 -0.092 0.000 1.412 152 I CB 0.349 38.302 38.000 -0.078 0.000 1.396 152 I HN -0.782 7.342 8.210 -0.066 0.047 0.543 153 S N 9.125 124.748 115.700 -0.128 0.000 2.359 153 S HA -0.317 4.296 4.470 -0.037 -0.166 0.223 153 S C 2.004 176.550 174.600 -0.091 0.000 1.039 153 S CA 3.401 61.551 58.200 -0.083 0.000 1.042 153 S CB -0.972 62.184 63.200 -0.073 0.000 0.915 153 S HN 0.485 8.718 8.310 -0.128 0.000 0.439 154 T N 4.136 118.555 114.554 -0.225 0.000 2.684 154 T HA -0.292 4.005 4.350 -0.088 0.000 0.267 154 T C 1.640 176.354 174.700 0.024 0.000 1.036 154 T CA 4.712 66.698 62.100 -0.190 0.000 1.148 154 T CB -0.239 68.400 68.868 -0.382 0.000 0.863 154 T HN -0.033 8.015 8.240 -0.320 0.000 0.436 155 Y N -0.860 119.528 120.300 0.146 0.000 2.337 155 Y HA -0.153 4.698 4.550 0.502 0.000 0.293 155 Y C 1.664 177.752 175.900 0.313 0.000 1.123 155 Y CA -0.173 58.095 58.100 0.279 0.000 1.201 155 Y CB -1.160 37.306 38.460 0.010 0.000 1.011 155 Y HN -0.633 7.389 8.280 -0.429 0.000 0.545 156 D N -0.268 120.301 120.400 0.282 0.000 2.178 156 D HA -0.345 4.496 4.640 0.336 0.000 0.202 156 D C 1.828 178.297 176.300 0.282 0.000 0.974 156 D CA 3.151 57.309 54.000 0.264 0.000 0.841 156 D CB -0.711 40.170 40.800 0.135 0.000 0.953 156 D HN 0.093 8.562 8.370 0.166 0.000 0.478 157 K N 0.335 120.864 120.400 0.216 0.000 2.057 157 K HA -0.291 4.128 4.320 0.166 0.000 0.206 157 K C 2.402 179.167 176.600 0.276 0.000 1.050 157 K CA 2.992 59.393 56.287 0.190 0.000 0.935 157 K CB -0.039 32.531 32.500 0.117 0.000 0.715 157 K HN -0.521 7.832 8.250 0.172 0.000 0.439 158 M N -0.556 119.256 119.600 0.352 0.000 2.117 158 M HA -0.351 4.427 4.480 0.497 0.000 0.262 158 M C 2.088 178.661 176.300 0.455 0.000 1.065 158 M CA 3.742 59.307 55.300 0.442 0.000 1.114 158 M CB 0.258 33.080 32.600 0.370 0.000 1.361 158 M HN -0.436 8.067 8.290 0.355 0.000 0.408 159 W N -0.316 121.175 121.300 0.317 0.000 2.358 159 W HA -0.467 4.315 4.660 0.202 0.000 0.303 159 W C 1.048 177.668 176.519 0.168 0.000 1.208 159 W CA 2.939 60.426 57.345 0.237 0.000 1.274 159 W CB 0.514 30.119 29.460 0.242 0.000 1.138 159 W HN 0.009 8.604 8.180 0.692 0.000 0.515 160 A N -1.298 121.536 122.820 0.024 0.000 1.940 160 A HA -0.408 3.762 4.320 -0.250 0.000 0.219 160 A C 1.703 179.195 177.584 -0.154 0.000 1.176 160 A CA 3.112 55.082 52.037 -0.111 0.000 0.631 160 A CB -1.272 17.759 19.000 0.051 0.000 0.814 160 A HN -0.262 8.019 8.150 0.219 0.000 0.446 161 F N 0.167 120.018 119.950 -0.165 0.000 2.113 161 F HA -0.260 4.151 4.527 -0.193 0.000 0.297 161 F C 1.528 177.117 175.800 -0.352 0.000 1.103 161 F CA 3.442 61.310 58.000 -0.219 0.000 1.248 161 F CB 0.484 39.386 39.000 -0.164 0.000 0.999 161 F HN -0.709 7.735 8.300 0.240 0.000 0.475 162 M N -0.440 119.018 119.600 -0.238 0.000 2.108 162 M HA -0.603 3.689 4.480 -0.312 0.000 0.261 162 M C 2.003 177.936 176.300 -0.612 0.000 1.066 162 M CA 4.120 59.192 55.300 -0.380 0.000 1.107 162 M CB 0.019 32.484 32.600 -0.225 0.000 1.356 162 M HN -0.183 8.071 8.290 -0.060 0.000 0.406 163 S N -1.875 113.251 115.700 -0.957 0.000 2.356 163 S HA -0.384 3.618 4.470 -0.780 0.000 0.223 163 S C 2.385 176.707 174.600 -0.463 0.000 1.032 163 S CA 3.341 61.036 58.200 -0.842 0.000 1.005 163 S CB 0.243 62.851 63.200 -0.987 0.000 0.867 163 S HN 0.138 7.769 8.310 -1.132 0.000 0.449 164 S N 1.088 116.526 115.700 -0.436 0.000 2.383 164 S HA -0.268 4.047 4.470 -0.260 0.000 0.229 164 S C 2.085 176.472 174.600 -0.355 0.000 1.030 164 S CA 2.861 60.860 58.200 -0.336 0.000 1.002 164 S CB -0.169 62.847 63.200 -0.307 0.000 0.829 164 S HN -0.423 7.609 8.310 -0.463 0.000 0.467 165 R N 0.266 120.475 120.500 -0.484 0.000 2.466 165 R HA 0.170 4.308 4.340 -0.337 0.000 0.279 165 R C 0.843 176.980 176.300 -0.271 0.000 0.976 165 R CA -0.850 54.994 56.100 -0.426 0.000 1.081 165 R CB -0.407 29.498 30.300 -0.658 0.000 1.215 165 R HN -0.490 7.425 8.270 -0.591 0.000 0.546 166 R N -0.272 120.087 120.500 -0.234 0.000 2.096 166 R HA -0.310 3.994 4.340 -0.124 -0.039 0.235 166 R C 1.856 178.116 176.300 -0.068 0.000 1.127 166 R CA 3.270 59.289 56.100 -0.135 0.000 0.968 166 R CB -0.779 29.451 30.300 -0.117 0.000 0.861 166 R HN -0.828 7.231 8.270 -0.255 0.058 0.440 167 Q N -1.949 117.806 119.800 -0.075 0.000 2.234 167 Q HA -0.232 4.093 4.340 -0.026 0.000 0.206 167 Q C 1.067 177.041 176.000 -0.043 0.000 0.980 167 Q CA 2.070 57.846 55.803 -0.046 0.000 0.869 167 Q CB -0.988 27.721 28.738 -0.049 0.000 0.912 167 Q HN 0.360 8.553 8.270 -0.098 0.018 0.436 168 S N -3.053 112.611 115.700 -0.061 0.000 2.468 168 S HA -0.059 4.379 4.470 -0.053 0.000 0.226 168 S C 1.380 175.967 174.600 -0.023 0.000 1.051 168 S CA 1.414 59.581 58.200 -0.053 0.000 0.943 168 S CB 0.782 63.943 63.200 -0.065 0.000 0.810 168 S HN -0.406 7.814 8.310 -0.086 0.039 0.509 169 V N -5.422 114.502 119.914 0.017 0.000 3.565 169 V HA 0.218 4.480 4.120 0.238 0.000 0.260 169 V C -1.178 175.056 176.094 0.233 0.000 1.231 169 V CA -0.155 62.254 62.300 0.181 0.000 1.100 169 V CB 1.280 33.211 31.823 0.181 0.000 0.807 169 V HN -0.509 7.663 8.190 -0.030 0.000 0.454 170 L N 0.173 121.479 121.223 0.139 0.000 2.292 170 L HA 0.402 5.089 4.340 0.272 -0.183 0.284 170 L C -0.048 176.919 176.870 0.162 0.000 1.065 170 L CA -0.396 54.559 54.840 0.192 0.000 0.806 170 L CB 0.803 42.959 42.059 0.162 0.000 1.175 170 L HN -0.671 7.603 8.230 0.073 0.000 0.431 171 V N -4.839 115.203 119.914 0.214 0.000 3.113 171 V HA 0.619 4.792 4.120 0.088 0.000 0.316 171 V C -0.725 175.467 176.094 0.163 0.000 1.125 171 V CA -3.464 58.923 62.300 0.145 0.000 1.026 171 V CB 3.349 35.230 31.823 0.095 0.000 1.080 171 V HN 0.118 8.483 8.190 0.293 0.000 0.444 172 K N -1.438 119.033 120.400 0.118 0.000 2.379 172 K HA 0.043 4.451 4.320 0.147 0.000 0.194 172 K C -0.707 175.989 176.600 0.160 0.000 1.031 172 K CA 0.958 57.323 56.287 0.130 0.000 1.037 172 K CB 0.908 33.461 32.500 0.089 0.000 0.824 172 K HN 0.192 9.129 8.250 0.083 -0.637 0.516 173 S N -6.646 109.153 115.700 0.164 0.000 2.588 173 S HA 0.136 4.753 4.470 0.245 0.000 0.269 173 S C -0.871 173.854 174.600 0.208 0.000 1.157 173 S CA -1.704 56.611 58.200 0.192 0.000 0.824 173 S CB 2.921 66.200 63.200 0.132 0.000 1.126 173 S HN -0.878 7.517 8.310 0.141 0.000 0.464 174 N N 1.980 120.839 118.700 0.265 0.000 2.149 174 N HA -0.402 4.618 4.740 0.466 0.000 0.188 174 N C 1.364 176.939 175.510 0.108 0.000 1.019 174 N CA 3.695 56.926 53.050 0.302 0.000 0.857 174 N CB 0.008 38.697 38.487 0.337 0.000 0.997 174 N HN 0.666 9.211 8.380 0.275 0.000 0.426 175 E N 0.883 121.138 120.200 0.090 0.000 2.110 175 E HA -0.433 3.950 4.350 0.056 0.000 0.193 175 E C 1.626 178.205 176.600 -0.035 0.000 0.988 175 E CA 3.465 59.891 56.400 0.042 0.000 0.804 175 E CB -0.365 29.370 29.700 0.059 0.000 0.745 175 E HN 0.378 8.807 8.360 0.114 0.000 0.458 176 E N -1.316 118.853 120.200 -0.052 0.000 2.106 176 E HA -0.295 4.000 4.350 -0.091 0.000 0.192 176 E C 2.678 179.118 176.600 -0.266 0.000 0.984 176 E CA 2.225 58.559 56.400 -0.109 0.000 0.806 176 E CB -0.272 29.393 29.700 -0.058 0.000 0.750 176 E HN -0.603 7.752 8.360 -0.010 0.000 0.458 177 G N -0.310 108.196 108.800 -0.490 0.000 2.418 177 G HA2 -0.257 3.153 3.960 -0.916 0.000 0.217 177 G HA3 -0.257 2.204 3.960 -2.498 0.000 0.217 177 G C 1.000 175.527 174.900 -0.622 0.000 1.158 177 G CA 1.908 46.312 45.100 -1.160 0.000 0.771 177 G HN -0.497 7.472 8.290 -0.402 0.080 0.545 178 I N 2.396 122.775 120.570 -0.318 0.000 2.163 178 I HA -0.641 3.531 4.170 0.003 0.000 0.243 178 I C 1.832 177.918 176.117 -0.053 0.000 1.085 178 I CA 4.172 65.434 61.300 -0.064 0.000 1.347 178 I CB -0.168 37.845 38.000 0.022 0.000 1.044 178 I HN -0.154 7.890 8.210 -0.278 0.000 0.408 179 Q N -1.888 117.859 119.800 -0.089 0.000 2.135 179 Q HA -0.328 3.988 4.340 -0.039 0.000 0.204 179 Q C 3.087 179.028 176.000 -0.099 0.000 0.981 179 Q CA 2.883 58.643 55.803 -0.072 0.000 0.856 179 Q CB -0.844 27.853 28.738 -0.069 0.000 0.902 179 Q HN -0.401 7.805 8.270 -0.107 0.000 0.425 180 R N -0.569 119.815 120.500 -0.193 0.000 2.075 180 R HA -0.193 4.000 4.340 -0.244 0.000 0.232 180 R C 2.621 178.892 176.300 -0.049 0.000 1.126 180 R CA 2.356 58.283 56.100 -0.288 0.000 0.963 180 R CB -0.256 29.569 30.300 -0.792 0.000 0.858 180 R HN -0.460 7.581 8.270 -0.247 0.081 0.435 181 V N -0.225 119.769 119.914 0.133 0.000 2.392 181 V HA -0.356 4.173 4.120 0.402 -0.168 0.249 181 V C 2.034 178.205 176.094 0.127 0.000 1.059 181 V CA 3.756 66.213 62.300 0.261 0.000 1.051 181 V CB -0.124 31.864 31.823 0.276 0.000 0.658 181 V HN -0.354 7.893 8.190 0.095 0.000 0.455 182 L N -5.274 115.983 121.223 0.056 0.000 2.395 182 L HA -0.108 4.248 4.340 0.026 0.000 0.218 182 L C 1.199 178.079 176.870 0.016 0.000 1.130 182 L CA 1.815 56.670 54.840 0.027 0.000 0.826 182 L CB 0.406 42.472 42.059 0.012 0.000 0.941 182 L HN -0.540 7.624 8.230 0.037 0.089 0.451 183 T N -7.999 106.562 114.554 0.011 0.000 3.058 183 T HA 0.115 4.468 4.350 0.004 0.000 0.278 183 T C -0.109 174.598 174.700 0.012 0.000 0.974 183 T CA -0.391 61.709 62.100 0.000 0.000 0.893 183 T CB 1.077 69.932 68.868 -0.021 0.000 1.138 183 T HN -0.552 7.655 8.240 0.009 0.039 0.529 184 S N 1.052 116.779 115.700 0.045 0.000 2.656 184 S HA 0.140 4.647 4.470 0.063 0.000 0.273 184 S C -1.798 172.900 174.600 0.164 0.000 1.168 184 S CA -1.023 57.224 58.200 0.077 0.000 0.817 184 S CB 2.444 65.667 63.200 0.039 0.000 1.146 184 S HN -0.616 7.733 8.310 0.064 0.000 0.475 185 D N 2.101 122.616 120.400 0.191 0.000 2.483 185 D HA 0.113 4.925 4.640 0.285 0.000 0.220 185 D C -2.010 174.517 176.300 0.379 0.000 1.173 185 D CA -0.122 54.039 54.000 0.268 0.000 0.964 185 D CB -0.986 39.937 40.800 0.205 0.000 1.046 185 D HN 0.244 8.709 8.370 0.158 0.000 0.517 186 Y N 4.974 125.451 120.300 0.295 0.000 2.479 186 Y HA 0.568 5.468 4.550 0.207 -0.226 0.338 186 Y C -2.848 173.258 175.900 0.343 0.000 1.055 186 Y CA -0.935 57.315 58.100 0.249 0.000 1.023 186 Y CB 3.833 42.396 38.460 0.173 0.000 1.287 186 Y HN -0.643 7.964 8.280 0.546 0.000 0.447 187 A N 6.528 129.238 122.820 -0.182 0.000 2.330 187 A HA 0.594 5.168 4.320 0.199 -0.135 0.327 187 A C -2.654 174.768 177.584 -0.270 0.000 1.155 187 A CA -2.384 49.574 52.037 -0.131 0.000 0.803 187 A CB 2.968 21.733 19.000 -0.391 0.000 1.208 187 A HN 0.597 8.526 8.150 -0.368 0.000 0.477 188 F N 4.133 124.008 119.950 -0.125 0.000 2.427 188 F HA 0.372 4.810 4.527 -0.149 0.000 0.346 188 F C -2.003 173.803 175.800 0.010 0.000 1.120 188 F CA -2.730 55.252 58.000 -0.031 0.000 1.033 188 F CB 3.521 42.648 39.000 0.211 0.000 1.126 188 F HN 0.275 8.751 8.300 0.294 0.000 0.462 189 L N 8.592 129.570 121.223 -0.408 0.000 2.315 189 L HA 0.381 4.784 4.340 -0.197 -0.181 0.283 189 L C -1.351 175.182 176.870 -0.562 0.000 1.089 189 L CA -0.285 54.352 54.840 -0.339 0.000 0.833 189 L CB -0.928 41.007 42.059 -0.207 0.000 1.170 189 L HN 0.468 8.454 8.230 -0.407 0.000 0.442 190 M N 3.802 123.222 119.600 -0.300 0.000 2.484 190 M HA 0.419 4.728 4.480 -0.285 0.000 0.289 190 M C -2.290 173.974 176.300 -0.060 0.000 1.206 190 M CA -0.942 54.241 55.300 -0.196 0.000 0.892 190 M CB 4.234 36.860 32.600 0.044 0.000 1.712 190 M HN 0.301 8.488 8.290 -0.172 0.000 0.462 191 E N 3.026 123.221 120.200 -0.008 0.000 2.373 191 E HA -0.013 4.442 4.350 -0.061 -0.142 0.267 191 E C 1.294 177.937 176.600 0.071 0.000 1.032 191 E CA 0.553 56.957 56.400 0.007 0.000 0.889 191 E CB 0.709 30.436 29.700 0.045 0.000 0.984 191 E HN 0.629 8.995 8.360 0.010 0.000 0.425 192 S N 4.192 119.900 115.700 0.015 0.000 2.402 192 S HA -0.306 4.204 4.470 0.066 0.000 0.229 192 S C 1.749 176.426 174.600 0.128 0.000 1.021 192 S CA 3.600 61.828 58.200 0.047 0.000 0.974 192 S CB 0.188 63.375 63.200 -0.021 0.000 0.800 192 S HN 0.436 8.717 8.310 -0.048 0.000 0.484 193 T N -0.007 114.638 114.554 0.152 0.000 2.746 193 T HA -0.280 4.186 4.350 0.193 0.000 0.267 193 T C 1.879 176.919 174.700 0.567 0.000 1.039 193 T CA 3.196 65.475 62.100 0.298 0.000 1.142 193 T CB -0.512 68.549 68.868 0.322 0.000 0.866 193 T HN 0.033 8.326 8.240 0.088 0.000 0.444 194 T N 4.661 119.517 114.554 0.504 0.000 2.821 194 T HA -0.287 4.363 4.350 0.501 0.000 0.267 194 T C 1.563 176.497 174.700 0.390 0.000 1.046 194 T CA 4.694 67.077 62.100 0.472 0.000 1.139 194 T CB -0.229 68.894 68.868 0.425 0.000 0.871 194 T HN -0.768 7.731 8.240 0.432 0.000 0.454 195 I N 1.880 122.629 120.570 0.299 0.000 2.163 195 I HA -0.516 3.798 4.170 0.241 0.000 0.243 195 I C 1.501 177.766 176.117 0.245 0.000 1.085 195 I CA 4.414 65.858 61.300 0.239 0.000 1.347 195 I CB -0.310 37.791 38.000 0.169 0.000 1.044 195 I HN -0.245 8.123 8.210 0.264 0.000 0.408 196 E N 0.333 120.708 120.200 0.290 0.000 2.085 196 E HA -0.388 4.086 4.350 0.207 0.000 0.194 196 E C 2.318 179.126 176.600 0.346 0.000 0.994 196 E CA 2.981 59.561 56.400 0.300 0.000 0.801 196 E CB -0.126 29.766 29.700 0.319 0.000 0.743 196 E HN -0.400 8.140 8.360 0.299 0.000 0.453 197 F N 0.326 120.448 119.950 0.288 0.000 2.075 197 F HA -0.277 4.411 4.527 0.001 -0.161 0.297 197 F C 2.214 178.030 175.800 0.027 0.000 1.113 197 F CA 3.329 61.338 58.000 0.014 0.000 1.218 197 F CB 0.275 39.083 39.000 -0.321 0.000 0.984 197 F HN -0.824 7.868 8.300 0.653 0.000 0.472 198 V N -1.697 118.292 119.914 0.126 0.000 2.358 198 V HA -0.622 3.494 4.120 -0.006 0.000 0.246 198 V C 1.669 177.755 176.094 -0.014 0.000 1.047 198 V CA 4.299 66.632 62.300 0.055 0.000 1.035 198 V CB 0.041 31.973 31.823 0.182 0.000 0.658 198 V HN -0.218 8.140 8.190 0.280 0.000 0.452 199 T N -3.602 110.972 114.554 0.033 0.000 2.995 199 T HA -0.256 4.107 4.350 0.021 0.000 0.269 199 T C 1.806 176.493 174.700 -0.022 0.000 1.091 199 T CA 2.719 64.833 62.100 0.022 0.000 1.128 199 T CB 0.084 68.987 68.868 0.058 0.000 0.891 199 T HN -0.183 8.104 8.240 0.078 0.000 0.492 200 Q N -0.303 119.461 119.800 -0.061 0.000 2.230 200 Q HA -0.199 4.114 4.340 -0.045 0.000 0.202 200 Q C 1.030 176.945 176.000 -0.142 0.000 0.963 200 Q CA 2.199 57.949 55.803 -0.089 0.000 0.866 200 Q CB 0.103 28.781 28.738 -0.101 0.000 0.931 200 Q HN -0.723 7.509 8.270 -0.062 0.000 0.452 201 R N -5.165 115.212 120.500 -0.205 0.000 2.308 201 R HA 0.033 4.279 4.340 -0.156 0.000 0.202 201 R C -0.168 176.078 176.300 -0.091 0.000 0.898 201 R CA 0.211 56.203 56.100 -0.179 0.000 1.046 201 R CB 1.190 31.315 30.300 -0.291 0.000 1.026 201 R HN -0.800 7.204 8.270 -0.235 0.125 0.512 202 N N 0.046 118.709 118.700 -0.061 0.000 2.682 202 N HA 0.250 4.975 4.740 -0.025 0.000 0.252 202 N C -0.775 174.725 175.510 -0.016 0.000 1.081 202 N CA -0.377 52.658 53.050 -0.025 0.000 0.844 202 N CB 1.376 39.861 38.487 -0.002 0.000 1.167 202 N HN -0.478 7.864 8.380 -0.063 0.000 0.523 203 c N 1.751 120.340 118.600 -0.018 0.000 2.491 203 c HA 0.016 4.579 4.570 -0.011 0.000 0.277 203 c C 0.356 174.440 174.090 -0.010 0.000 1.455 203 c CA 1.272 57.593 56.329 -0.013 0.000 1.758 203 c CB -1.541 40.961 42.510 -0.014 0.000 1.745 203 c HN 0.826 9.044 8.230 -0.021 0.000 0.558 204 N N -1.297 117.396 118.700 -0.012 0.000 2.398 204 N HA -0.086 4.642 4.740 -0.021 0.000 0.188 204 N C -1.137 174.361 175.510 -0.021 0.000 1.122 204 N CA 0.737 53.775 53.050 -0.019 0.000 0.866 204 N CB -1.068 37.405 38.487 -0.023 0.000 0.970 204 N HN 0.370 8.697 8.380 -0.011 0.046 0.462 205 L N -1.655 119.568 121.223 -0.000 0.000 2.322 205 L HA 0.700 5.185 4.340 0.006 -0.142 0.269 205 L C -0.647 176.244 176.870 0.036 0.000 1.012 205 L CA -0.861 53.991 54.840 0.021 0.000 0.815 205 L CB 2.522 44.611 42.059 0.051 0.000 1.295 205 L HN -0.518 7.655 8.230 0.003 0.059 0.438 206 T N -0.885 113.706 114.554 0.061 0.000 2.821 206 T HA 0.338 4.726 4.350 0.062 0.000 0.306 206 T C -2.227 172.533 174.700 0.099 0.000 1.313 206 T CA -1.798 60.343 62.100 0.069 0.000 1.012 206 T CB 2.590 71.489 68.868 0.052 0.000 1.298 206 T HN 0.402 8.688 8.240 0.077 0.000 0.502 207 Q N 4.185 124.037 119.800 0.087 0.000 2.314 207 Q HA 0.390 5.000 4.340 0.098 -0.211 0.258 207 Q C -0.517 175.529 176.000 0.078 0.000 0.954 207 Q CA -0.013 55.840 55.803 0.085 0.000 0.890 207 Q CB 1.133 29.910 28.738 0.066 0.000 1.210 207 Q HN 0.207 8.522 8.270 0.075 0.000 0.410 208 I N 5.835 126.451 120.570 0.077 0.000 2.339 208 I HA 0.118 4.328 4.170 0.066 0.000 0.290 208 I C -0.373 175.762 176.117 0.029 0.000 0.994 208 I CA -1.738 59.599 61.300 0.062 0.000 1.191 208 I CB -0.349 37.691 38.000 0.067 0.000 1.343 208 I HN 0.203 8.459 8.210 0.076 0.000 0.458 209 G N 5.376 114.191 108.800 0.024 0.000 2.698 209 G HA2 -0.365 3.602 3.960 0.012 0.000 0.233 209 G HA3 -0.365 3.600 3.960 0.009 0.000 0.233 209 G C -1.292 173.612 174.900 0.007 0.000 1.352 209 G CA 0.061 45.168 45.100 0.012 0.000 0.879 209 G HN 0.102 8.409 8.290 0.029 0.000 0.567 210 G N -1.805 106.995 108.800 -0.001 0.000 2.782 210 G HA2 0.224 4.177 3.960 -0.011 0.000 0.201 210 G HA3 0.224 4.175 3.960 -0.015 0.000 0.201 210 G C -1.174 173.706 174.900 -0.034 0.000 1.374 210 G CA -0.750 44.342 45.100 -0.014 0.000 1.039 210 G HN 0.098 8.389 8.290 0.001 0.000 0.576 211 L N -1.056 120.134 121.223 -0.055 0.000 2.305 211 L HA -0.025 4.413 4.340 -0.106 -0.161 0.281 211 L C 0.700 177.503 176.870 -0.112 0.000 1.085 211 L CA 0.226 55.008 54.840 -0.097 0.000 0.813 211 L CB 0.693 42.685 42.059 -0.112 0.000 1.157 211 L HN 0.023 8.223 8.230 -0.050 0.000 0.436 212 I N 1.337 121.800 120.570 -0.179 0.000 2.500 212 I HA -0.155 3.959 4.170 -0.093 0.000 0.252 212 I C 0.017 175.955 176.117 -0.297 0.000 1.142 212 I CA 2.010 63.172 61.300 -0.230 0.000 1.451 212 I CB 0.813 38.553 38.000 -0.432 0.000 1.093 212 I HN 0.586 8.671 8.210 -0.210 0.000 0.430 213 D N -3.738 116.446 120.400 -0.361 0.000 2.825 213 D HA 0.101 4.602 4.640 -0.232 0.000 0.327 213 D C -2.099 174.046 176.300 -0.259 0.000 1.277 213 D CA -1.351 52.447 54.000 -0.338 0.000 0.950 213 D CB 1.754 42.213 40.800 -0.568 0.000 1.438 213 D HN -0.614 7.546 8.370 -0.351 0.000 0.526 214 S N -0.279 115.287 115.700 -0.224 0.000 2.571 214 S HA 0.579 5.102 4.470 -0.209 -0.179 0.284 214 S C -0.659 173.816 174.600 -0.208 0.000 1.128 214 S CA -1.244 56.838 58.200 -0.197 0.000 0.970 214 S CB 1.809 64.921 63.200 -0.146 0.000 1.039 214 S HN 0.032 8.215 8.310 -0.211 0.000 0.485 215 K N 3.853 124.107 120.400 -0.244 0.000 2.571 215 K HA 0.305 4.494 4.320 -0.219 0.000 0.289 215 K C -2.838 173.567 176.600 -0.326 0.000 1.028 215 K CA -1.248 54.885 56.287 -0.257 0.000 0.895 215 K CB 2.516 34.863 32.500 -0.255 0.000 1.534 215 K HN 0.510 8.601 8.250 -0.265 0.000 0.421 216 G N -2.667 105.933 108.800 -0.333 0.000 2.473 216 G HA2 0.631 4.460 3.960 -0.458 0.000 0.321 216 G HA3 0.631 4.396 3.960 -0.325 0.000 0.321 216 G C -2.088 172.561 174.900 -0.417 0.000 1.200 216 G CA -1.636 43.227 45.100 -0.395 0.000 0.963 216 G HN 0.100 8.209 8.290 -0.302 0.000 0.483 217 Y N -0.347 119.654 120.300 -0.498 0.000 2.308 217 Y HA 0.562 5.051 4.550 -0.428 -0.196 0.329 217 Y C -0.350 175.084 175.900 -0.778 0.000 1.111 217 Y CA -2.377 55.340 58.100 -0.637 0.000 1.179 217 Y CB 1.231 39.165 38.460 -0.877 0.000 1.201 217 Y HN -0.098 7.820 8.280 -0.603 0.000 0.483 218 G N -0.188 108.538 108.800 -0.125 0.000 2.605 218 G HA2 0.570 4.614 3.960 0.139 0.000 0.296 218 G HA3 0.570 4.655 3.960 0.208 0.000 0.296 218 G C -2.197 172.997 174.900 0.490 0.000 1.304 218 G CA -1.489 43.718 45.100 0.178 0.000 0.941 218 G HN -0.077 8.226 8.290 0.022 0.000 0.475 219 V N 1.089 121.289 119.914 0.477 0.000 2.508 219 V HA -0.144 4.284 4.120 0.273 -0.145 0.281 219 V C 0.073 176.255 176.094 0.146 0.000 1.041 219 V CA 0.675 63.143 62.300 0.280 0.000 1.016 219 V CB 0.539 32.464 31.823 0.170 0.000 0.984 219 V HN -0.019 8.448 8.190 0.462 0.000 0.478 220 G N 6.296 115.078 108.800 -0.030 0.000 2.395 220 G HA2 0.506 4.312 3.960 -0.541 0.000 0.283 220 G HA3 0.506 4.218 3.960 -0.413 0.000 0.283 220 G C -2.003 172.735 174.900 -0.270 0.000 1.178 220 G CA -1.146 43.754 45.100 -0.334 0.000 0.837 220 G HN 0.151 8.436 8.290 -0.008 0.000 0.518 221 T N -1.323 113.042 114.554 -0.315 0.000 2.883 221 T HA 0.739 4.941 4.350 -0.247 0.000 0.296 221 T C -2.462 172.064 174.700 -0.289 0.000 1.117 221 T CA -3.460 58.492 62.100 -0.247 0.000 1.006 221 T CB 1.870 70.652 68.868 -0.143 0.000 1.191 221 T HN 0.413 8.416 8.240 -0.396 0.000 0.508 222 P HA -0.012 4.229 4.420 -0.297 0.000 0.269 222 P C -0.733 176.455 177.300 -0.187 0.000 1.215 222 P CA 0.232 63.146 63.100 -0.310 0.000 0.780 222 P CB 0.609 31.948 31.700 -0.602 0.000 0.898 223 M N 3.394 122.916 119.600 -0.129 0.000 2.284 223 M HA -0.579 3.985 4.480 -0.093 -0.141 0.351 223 M C 0.875 177.159 176.300 -0.026 0.000 1.443 223 M CA 2.120 57.374 55.300 -0.077 0.000 1.031 223 M CB 0.119 32.682 32.600 -0.062 0.000 1.893 223 M HN 0.549 8.762 8.290 -0.128 0.000 0.456 224 G N 4.809 113.593 108.800 -0.027 0.000 2.176 224 G HA2 -0.426 3.527 3.960 -0.011 0.000 0.253 224 G HA3 -0.426 3.536 3.960 0.004 0.000 0.253 224 G C -0.700 174.194 174.900 -0.011 0.000 0.979 224 G CA -0.290 44.805 45.100 -0.009 0.000 0.641 224 G HN 0.458 9.067 8.290 -0.036 -0.341 0.530 225 S N 1.908 117.593 115.700 -0.025 0.000 2.549 225 S HA 0.209 4.678 4.470 -0.001 0.000 0.286 225 S C 0.405 174.993 174.600 -0.020 0.000 1.314 225 S CA -2.255 55.937 58.200 -0.012 0.000 1.062 225 S CB 0.930 64.122 63.200 -0.013 0.000 0.865 225 S HN -0.591 7.647 8.310 -0.045 0.045 0.498 226 P HA 0.029 4.393 4.420 -0.094 0.000 0.229 226 P C 0.303 177.489 177.300 -0.189 0.000 1.160 226 P CA 1.303 64.319 63.100 -0.141 0.000 0.777 226 P CB 0.170 31.744 31.700 -0.210 0.000 0.814 227 Y N -1.240 119.024 120.300 -0.060 0.000 2.373 227 Y HA -0.306 4.219 4.550 -0.042 0.000 0.293 227 Y C 1.816 177.694 175.900 -0.037 0.000 1.129 227 Y CA 3.309 61.371 58.100 -0.064 0.000 1.226 227 Y CB -0.564 37.816 38.460 -0.134 0.000 1.000 227 Y HN -0.409 7.867 8.280 0.047 0.032 0.549 228 R N -0.517 120.035 120.500 0.086 0.000 2.097 228 R HA -0.504 3.879 4.340 0.073 0.000 0.236 228 R C 1.492 177.833 176.300 0.067 0.000 1.135 228 R CA 4.575 60.713 56.100 0.064 0.000 0.934 228 R CB -0.347 29.971 30.300 0.030 0.000 0.846 228 R HN -0.837 7.443 8.270 0.060 0.026 0.431 229 D N -3.075 117.349 120.400 0.040 0.000 2.178 229 D HA -0.163 4.505 4.640 0.047 0.000 0.202 229 D C 2.195 178.524 176.300 0.047 0.000 0.974 229 D CA 3.128 57.151 54.000 0.038 0.000 0.841 229 D CB -0.846 39.963 40.800 0.016 0.000 0.953 229 D HN 0.185 8.568 8.370 0.022 0.000 0.478 230 K N 0.052 120.480 120.400 0.047 0.000 2.057 230 K HA -0.246 4.105 4.320 0.052 0.000 0.206 230 K C 2.524 179.191 176.600 0.111 0.000 1.050 230 K CA 3.341 59.669 56.287 0.069 0.000 0.935 230 K CB 0.045 32.583 32.500 0.064 0.000 0.715 230 K HN -0.880 7.390 8.250 0.032 0.000 0.439 231 I N -0.272 120.379 120.570 0.136 0.000 2.286 231 I HA -0.457 3.805 4.170 0.153 0.000 0.245 231 I C 1.533 177.723 176.117 0.122 0.000 1.104 231 I CA 3.917 65.302 61.300 0.142 0.000 1.397 231 I CB -0.126 37.958 38.000 0.141 0.000 1.072 231 I HN -0.118 8.174 8.210 0.137 0.000 0.417 232 T N 3.155 117.775 114.554 0.109 0.000 2.665 232 T HA -0.442 3.978 4.350 0.117 0.000 0.268 232 T C 1.881 176.632 174.700 0.085 0.000 1.035 232 T CA 5.614 67.774 62.100 0.100 0.000 1.151 232 T CB -0.204 68.713 68.868 0.081 0.000 0.862 232 T HN -0.346 7.956 8.240 0.103 0.000 0.438 233 I N 0.304 120.917 120.570 0.072 0.000 2.252 233 I HA -0.480 3.723 4.170 0.055 0.000 0.245 233 I C 1.326 177.481 176.117 0.065 0.000 1.102 233 I CA 3.916 65.251 61.300 0.060 0.000 1.385 233 I CB -0.257 37.772 38.000 0.048 0.000 1.064 233 I HN -0.587 7.665 8.210 0.071 0.000 0.414 234 A N 0.480 123.345 122.820 0.076 0.000 1.933 234 A HA -0.275 4.080 4.320 0.058 0.000 0.218 234 A C 2.091 179.717 177.584 0.070 0.000 1.175 234 A CA 2.968 55.047 52.037 0.070 0.000 0.628 234 A CB -0.716 18.333 19.000 0.081 0.000 0.814 234 A HN -0.404 7.798 8.150 0.085 0.000 0.444 235 I N -1.377 119.247 120.570 0.092 0.000 2.163 235 I HA -0.635 3.596 4.170 0.102 0.000 0.243 235 I C 1.724 177.899 176.117 0.098 0.000 1.085 235 I CA 4.598 65.965 61.300 0.113 0.000 1.347 235 I CB -0.006 38.096 38.000 0.171 0.000 1.044 235 I HN -0.135 8.136 8.210 0.102 0.000 0.408 236 L N -2.062 119.211 121.223 0.083 0.000 2.131 236 L HA -0.498 3.884 4.340 0.070 0.000 0.210 236 L C 2.083 178.986 176.870 0.055 0.000 1.092 236 L CA 3.148 58.028 54.840 0.066 0.000 0.759 236 L CB -0.873 41.218 42.059 0.054 0.000 0.903 236 L HN -0.206 8.073 8.230 0.082 0.000 0.435 237 Q N 0.202 120.033 119.800 0.051 0.000 2.020 237 Q HA -0.354 4.008 4.340 0.037 0.000 0.202 237 Q C 2.497 178.523 176.000 0.044 0.000 0.982 237 Q CA 3.333 59.161 55.803 0.042 0.000 0.838 237 Q CB 0.086 28.846 28.738 0.037 0.000 0.899 237 Q HN -0.387 7.915 8.270 0.054 0.000 0.423 238 L N -0.966 120.286 121.223 0.049 0.000 2.042 238 L HA -0.349 4.015 4.340 0.041 0.000 0.210 238 L C 2.474 179.385 176.870 0.068 0.000 1.076 238 L CA 2.928 57.798 54.840 0.050 0.000 0.749 238 L CB -0.426 41.659 42.059 0.043 0.000 0.893 238 L HN -0.093 8.168 8.230 0.052 0.000 0.432 239 Q N -1.641 118.206 119.800 0.080 0.000 2.020 239 Q HA -0.421 3.982 4.340 0.105 0.000 0.202 239 Q C 2.699 178.736 176.000 0.061 0.000 0.982 239 Q CA 3.105 58.960 55.803 0.086 0.000 0.838 239 Q CB -0.373 28.416 28.738 0.085 0.000 0.899 239 Q HN 0.011 8.329 8.270 0.081 0.000 0.423 240 E N -0.066 120.162 120.200 0.047 0.000 2.118 240 E HA -0.290 4.076 4.350 0.026 0.000 0.195 240 E C 1.924 178.542 176.600 0.030 0.000 0.992 240 E CA 2.399 58.819 56.400 0.032 0.000 0.804 240 E CB -0.075 29.642 29.700 0.028 0.000 0.741 240 E HN -0.471 7.918 8.360 0.049 0.000 0.458 241 E N -4.167 116.055 120.200 0.037 0.000 2.435 241 E HA -0.119 4.248 4.350 0.028 0.000 0.195 241 E C 0.363 176.991 176.600 0.046 0.000 1.029 241 E CA 0.085 56.506 56.400 0.035 0.000 0.865 241 E CB 0.650 30.370 29.700 0.034 0.000 0.833 241 E HN -0.519 7.865 8.360 0.040 0.000 0.510 242 G N -2.062 106.775 108.800 0.061 0.000 2.175 242 G HA2 -0.447 3.570 3.960 0.094 0.000 0.244 242 G HA3 -0.447 3.562 3.960 0.081 0.000 0.244 242 G C 0.532 175.509 174.900 0.129 0.000 0.982 242 G CA 0.545 45.700 45.100 0.092 0.000 0.641 242 G HN -0.044 8.072 8.290 0.062 0.211 0.527 243 K N 1.459 121.916 120.400 0.096 0.000 2.155 243 K HA -0.213 4.156 4.320 0.082 0.000 0.203 243 K C 1.464 178.127 176.600 0.105 0.000 1.052 243 K CA 3.045 59.382 56.287 0.083 0.000 0.948 243 K CB -0.022 32.505 32.500 0.046 0.000 0.728 243 K HN -0.445 7.808 8.250 0.078 0.045 0.448 244 L N -2.887 118.417 121.223 0.136 0.000 2.093 244 L HA -0.297 4.141 4.340 0.162 0.000 0.208 244 L C 1.810 178.830 176.870 0.250 0.000 1.085 244 L CA 2.920 57.878 54.840 0.197 0.000 0.755 244 L CB -0.431 41.770 42.059 0.236 0.000 0.904 244 L HN -0.823 7.485 8.230 0.131 0.000 0.435 245 H N -1.076 118.068 119.070 0.122 0.000 2.389 245 H HA -0.317 4.297 4.556 0.097 0.000 0.299 245 H C 1.647 177.044 175.328 0.116 0.000 1.081 245 H CA 3.686 59.794 56.048 0.100 0.000 1.345 245 H CB -0.071 29.727 29.762 0.060 0.000 1.393 245 H HN -0.139 8.324 8.280 0.305 0.000 0.520 246 M N -0.661 118.982 119.600 0.072 0.000 2.117 246 M HA -0.397 4.047 4.480 -0.061 0.000 0.262 246 M C 2.383 178.717 176.300 0.056 0.000 1.065 246 M CA 4.226 59.535 55.300 0.016 0.000 1.114 246 M CB 0.169 32.811 32.600 0.071 0.000 1.361 246 M HN -0.484 7.911 8.290 0.174 0.000 0.408 247 M N -1.087 118.598 119.600 0.143 0.000 2.132 247 M HA -0.457 4.171 4.480 0.247 0.000 0.263 247 M C 1.884 178.511 176.300 0.545 0.000 1.065 247 M CA 4.307 59.771 55.300 0.273 0.000 1.122 247 M CB -0.086 32.560 32.600 0.076 0.000 1.365 247 M HN -0.258 8.114 8.290 0.137 0.000 0.411 248 K N -0.078 120.590 120.400 0.447 0.000 2.026 248 K HA -0.453 4.193 4.320 0.544 0.000 0.208 248 K C 1.741 178.517 176.600 0.292 0.000 1.048 248 K CA 3.959 60.438 56.287 0.321 0.000 0.929 248 K CB -0.229 32.227 32.500 -0.074 0.000 0.713 248 K HN -0.247 8.208 8.250 0.342 0.000 0.439 249 E N -1.239 118.986 120.200 0.042 0.000 2.110 249 E HA -0.365 4.021 4.350 0.060 0.000 0.193 249 E C 1.720 178.373 176.600 0.087 0.000 0.988 249 E CA 2.944 59.354 56.400 0.017 0.000 0.804 249 E CB -0.078 29.531 29.700 -0.152 0.000 0.745 249 E HN -0.372 7.936 8.360 -0.086 0.000 0.458 250 K N -0.955 119.475 120.400 0.051 0.000 2.026 250 K HA -0.262 3.961 4.320 -0.162 0.000 0.208 250 K C 2.531 178.998 176.600 -0.221 0.000 1.048 250 K CA 2.800 58.994 56.287 -0.154 0.000 0.929 250 K CB -0.075 32.251 32.500 -0.289 0.000 0.713 250 K HN -0.440 7.852 8.250 0.071 0.000 0.439 251 W N -4.495 116.980 121.300 0.293 0.000 2.942 251 W HA -0.044 4.678 4.660 0.103 0.000 0.263 251 W C 1.297 177.929 176.519 0.188 0.000 1.296 251 W CA 0.746 58.210 57.345 0.198 0.000 1.504 251 W CB 0.922 30.494 29.460 0.188 0.000 1.096 251 W HN -0.737 7.760 8.180 0.528 0.000 0.639 252 W N -3.053 118.416 121.300 0.282 0.000 3.114 252 W HA 0.060 5.017 4.660 0.494 0.000 0.279 252 W C -0.057 176.550 176.519 0.147 0.000 1.277 252 W CA 1.982 59.500 57.345 0.289 0.000 1.630 252 W CB 1.613 31.193 29.460 0.201 0.000 1.087 252 W HN -0.168 8.484 8.180 0.786 0.000 0.637 258 P HA 0.000 4.419 4.420 -0.001 0.000 0.216 258 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 258 P CB 0.000 31.698 31.700 -0.003 0.000 0.726