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 3mi9_1_A DATA FIRST_RESID 8 DATA SEQUENCE VECPFCDEVS KYEKLAKIGQ GTFGEVFKAR HRKTGQKVAL KKVLMENEKE DATA SEQUENCE GFPITALREI KILQLLKHEN VVNLIEICRT KXXXXXXXXG SIYLVFDFCE DATA SEQUENCE HDLAGLLSNV LVKFTLSEIK RVMQMLLNGL YYIHRNKILH RDMKAANVLI DATA SEQUENCE TRDGVLKLAD FGLARAFSLA KNSQPNRYXN RVVTLWYRPP ELLLGERDYG DATA SEQUENCE PPIDLWGAGC IMAEMWTRSP IMQGNTEQHQ LALISQLCGS ITPEVWPNVD DATA SEQUENCE NYELYEKLEL VKGQKRKVKD RLKAYVRDPY ALDLIDKLLV LDPAQRIDSD DATA SEQUENCE DALNHDFFWS DPMPSDLKGM LSTHLTSMFE YLAPPRR 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 8 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 8 V C 0.000 176.073 176.094 -0.035 0.000 1.182 8 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 8 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 9 E N 1.738 121.909 120.200 -0.047 0.000 2.415 9 E HA 0.219 4.569 4.350 0.001 0.000 0.263 9 E C -0.021 176.525 176.600 -0.090 0.000 0.995 9 E CA 0.182 56.537 56.400 -0.075 0.000 0.915 9 E CB 1.565 31.214 29.700 -0.086 0.000 0.951 9 E HN 0.843 9.203 8.360 -0.000 0.000 0.449 10 C N 7.039 126.269 119.300 -0.116 0.000 3.421 10 C HA 0.251 4.712 4.460 0.001 0.000 0.194 10 C C -1.325 173.548 174.990 -0.194 0.000 1.418 10 C CA -1.088 57.859 59.018 -0.119 0.000 1.226 10 C CB -0.145 27.564 27.740 -0.053 0.000 1.875 10 C HN 0.593 8.823 8.230 -0.000 0.000 0.561 11 P HA -0.018 4.402 4.420 -0.000 0.000 0.228 11 P C 0.487 177.486 177.300 -0.502 0.000 1.151 11 P CA 1.165 63.916 63.100 -0.580 0.000 0.770 11 P CB -0.061 31.065 31.700 -0.957 0.000 0.786 12 F N -1.012 118.936 119.950 -0.005 0.000 2.683 12 F HA 0.278 4.805 4.527 0.001 0.000 0.306 12 F C 0.815 176.615 175.800 0.000 0.000 1.102 12 F CA -0.868 57.130 58.000 -0.004 0.000 1.244 12 F CB -0.428 38.566 39.000 -0.010 0.000 1.029 12 F HN -0.040 8.260 8.300 -0.000 0.000 0.545 13 C N 1.771 121.144 119.300 0.122 0.000 3.123 13 C HA 0.431 4.892 4.460 0.001 0.000 0.284 13 C C -0.382 174.645 174.990 0.062 0.000 1.076 13 C CA -0.898 58.175 59.018 0.091 0.000 1.416 13 C CB -1.348 26.434 27.740 0.070 0.000 1.841 13 C HN 0.160 8.390 8.230 -0.000 0.000 0.501 14 D N 2.600 123.041 120.400 0.069 0.000 2.368 14 D HA 0.157 4.798 4.640 0.001 0.000 0.240 14 D C 0.345 176.676 176.300 0.052 0.000 1.169 14 D CA 0.447 54.473 54.000 0.043 0.000 0.906 14 D CB 0.909 41.731 40.800 0.038 0.000 1.187 14 D HN 0.630 9.000 8.370 -0.000 0.000 0.435 15 E N 0.076 120.288 120.200 0.021 0.000 2.338 15 E HA 0.052 4.402 4.350 0.001 0.000 0.272 15 E C 0.774 177.385 176.600 0.019 0.000 1.029 15 E CA -0.418 55.996 56.400 0.023 0.000 0.872 15 E CB 1.607 31.304 29.700 -0.005 0.000 1.015 15 E HN 0.107 8.467 8.360 -0.000 0.000 0.417 16 V N 3.482 123.418 119.914 0.037 0.000 2.982 16 V HA -0.245 3.875 4.120 0.001 0.000 0.265 16 V C 1.556 177.631 176.094 -0.033 0.000 1.122 16 V CA 1.900 64.213 62.300 0.022 0.000 1.143 16 V CB -0.371 31.363 31.823 -0.149 0.000 0.726 16 V HN 0.683 8.873 8.190 -0.000 0.000 0.507 17 S N 0.774 116.431 115.700 -0.071 0.000 2.423 17 S HA -0.272 4.199 4.470 0.001 0.000 0.238 17 S C 1.780 176.276 174.600 -0.174 0.000 1.028 17 S CA 1.949 60.084 58.200 -0.109 0.000 1.000 17 S CB -0.378 62.768 63.200 -0.090 0.000 0.797 17 S HN 0.924 9.234 8.310 -0.000 0.000 0.487 18 K N 0.036 120.288 120.400 -0.247 0.000 2.360 18 K HA -0.107 4.214 4.320 0.001 0.000 0.201 18 K C -0.236 175.946 176.600 -0.696 0.000 1.046 18 K CA 0.874 56.864 56.287 -0.494 0.000 0.945 18 K CB -0.262 31.879 32.500 -0.599 0.000 0.750 18 K HN 0.347 8.597 8.250 -0.000 0.000 0.464 19 Y N 1.166 121.318 120.300 -0.246 0.000 2.457 19 Y HA 0.290 4.841 4.550 0.001 0.000 0.333 19 Y C -0.153 175.624 175.900 -0.205 0.000 1.119 19 Y CA -1.295 56.673 58.100 -0.221 0.000 1.143 19 Y CB 1.537 39.893 38.460 -0.173 0.000 1.230 19 Y HN -0.036 8.244 8.280 -0.000 0.000 0.469 20 E N 2.837 123.032 120.200 -0.008 0.000 2.129 20 E HA 0.231 4.581 4.350 0.001 0.000 0.268 20 E C -1.216 175.329 176.600 -0.092 0.000 0.900 20 E CA -0.736 55.619 56.400 -0.074 0.000 0.755 20 E CB 0.739 30.399 29.700 -0.066 0.000 1.117 20 E HN 0.598 8.958 8.360 -0.000 0.000 0.410 21 K N 4.283 124.576 120.400 -0.178 0.000 2.412 21 K HA 0.114 4.435 4.320 0.001 0.000 0.281 21 K C 0.856 177.386 176.600 -0.116 0.000 1.027 21 K CA 0.105 56.257 56.287 -0.225 0.000 0.989 21 K CB 0.997 33.207 32.500 -0.484 0.000 0.935 21 K HN 0.531 8.781 8.250 -0.000 0.000 0.475 22 L N 1.278 122.460 121.223 -0.068 0.000 2.445 22 L HA 0.299 4.640 4.340 0.001 0.000 0.207 22 L C 0.530 177.405 176.870 0.008 0.000 1.053 22 L CA 0.003 54.818 54.840 -0.041 0.000 0.841 22 L CB 0.398 42.411 42.059 -0.076 0.000 1.074 22 L HN 0.716 8.946 8.230 -0.000 0.000 0.479 23 A N -0.201 122.654 122.820 0.060 0.000 2.567 23 A HA 0.403 4.723 4.320 0.001 0.000 0.291 23 A C -1.417 176.281 177.584 0.190 0.000 1.048 23 A CA -0.620 51.483 52.037 0.110 0.000 0.661 23 A CB 1.130 20.160 19.000 0.050 0.000 1.288 23 A HN -0.037 8.113 8.150 -0.000 0.000 0.424 24 K N 0.628 121.122 120.400 0.156 0.000 2.154 24 K HA 0.654 4.975 4.320 0.001 0.000 0.264 24 K C -1.090 175.538 176.600 0.047 0.000 1.008 24 K CA -0.284 56.042 56.287 0.066 0.000 0.937 24 K CB 0.452 32.964 32.500 0.020 0.000 1.002 24 K HN 0.537 8.787 8.250 -0.000 0.000 0.469 25 I N 3.748 124.326 120.570 0.014 0.000 2.355 25 I HA 0.292 4.462 4.170 0.001 0.000 0.288 25 I C 0.489 176.614 176.117 0.014 0.000 0.999 25 I CA -0.146 61.188 61.300 0.055 0.000 1.163 25 I CB 1.113 39.179 38.000 0.110 0.000 1.316 25 I HN 1.065 9.275 8.210 -0.000 0.000 0.454 26 G N 6.044 114.860 108.800 0.026 0.000 2.750 26 G HA2 -0.186 3.775 3.960 0.001 0.000 0.228 26 G HA3 -0.186 3.775 3.960 0.001 0.000 0.228 26 G C -0.392 174.509 174.900 0.001 0.000 1.367 26 G CA -0.619 44.488 45.100 0.011 0.000 0.871 26 G HN 0.553 8.843 8.290 -0.000 0.000 0.560 27 Q N 1.039 120.838 119.800 -0.003 0.000 2.851 27 Q HA 0.463 4.803 4.340 0.001 0.000 0.331 27 Q C 0.988 176.981 176.000 -0.012 0.000 0.979 27 Q CA 0.460 56.261 55.803 -0.002 0.000 0.955 27 Q CB 0.535 29.276 28.738 0.005 0.000 1.298 27 Q HN 0.963 9.233 8.270 -0.000 0.000 0.432 28 G N 0.819 109.604 108.800 -0.025 0.000 3.348 28 G HA2 0.200 4.160 3.960 0.001 0.000 0.180 28 G HA3 0.200 4.160 3.960 0.001 0.000 0.180 28 G C 0.464 175.357 174.900 -0.012 0.000 1.915 28 G CA 0.493 45.576 45.100 -0.029 0.000 0.937 28 G HN 0.445 8.735 8.290 -0.000 0.000 0.564 29 T N -2.990 111.556 114.554 -0.012 0.000 2.892 29 T HA 0.386 4.736 4.350 0.001 0.000 0.280 29 T C 1.256 176.015 174.700 0.100 0.000 1.004 29 T CA -0.187 61.935 62.100 0.036 0.000 0.950 29 T CB 0.891 69.779 68.868 0.033 0.000 1.309 29 T HN 0.252 8.492 8.240 -0.000 0.000 0.592 30 F N 1.252 121.180 119.950 -0.036 0.000 2.025 30 F HA 0.031 4.559 4.527 0.001 0.000 0.297 30 F C 1.496 177.266 175.800 -0.050 0.000 1.171 30 F CA 1.348 59.341 58.000 -0.012 0.000 1.204 30 F CB -0.582 38.434 39.000 0.027 0.000 0.948 30 F HN 0.708 9.008 8.300 -0.000 0.000 0.512 31 G N 0.126 108.827 108.800 -0.166 0.000 4.766 31 G HA2 0.180 4.141 3.960 0.001 0.000 0.331 31 G HA3 0.180 4.141 3.960 0.001 0.000 0.331 31 G C 0.143 174.863 174.900 -0.300 0.000 1.473 31 G CA -0.297 44.570 45.100 -0.388 0.000 1.076 31 G HN 0.504 8.794 8.290 -0.000 0.000 0.544 32 E N 0.508 120.514 120.200 -0.323 0.000 2.045 32 E HA 0.098 4.448 4.350 0.001 0.000 0.190 32 E C -0.005 176.491 176.600 -0.174 0.000 0.968 32 E CA 0.758 57.053 56.400 -0.176 0.000 0.813 32 E CB 0.490 30.122 29.700 -0.113 0.000 0.780 32 E HN 0.198 8.558 8.360 -0.000 0.000 0.455 33 V N 1.568 121.303 119.914 -0.297 0.000 2.531 33 V HA 0.363 4.484 4.120 0.001 0.000 0.301 33 V C -1.120 174.812 176.094 -0.270 0.000 1.034 33 V CA -0.652 61.556 62.300 -0.153 0.000 0.865 33 V CB 1.292 33.089 31.823 -0.043 0.000 0.995 33 V HN 0.117 8.307 8.190 -0.000 0.000 0.424 34 F N 2.499 122.490 119.950 0.068 0.000 2.532 34 F HA 0.574 5.102 4.527 0.001 0.000 0.321 34 F C 0.175 175.963 175.800 -0.020 0.000 1.089 34 F CA -0.820 57.186 58.000 0.009 0.000 0.926 34 F CB 2.022 40.995 39.000 -0.045 0.000 1.168 34 F HN 0.320 8.620 8.300 -0.000 0.000 0.459 35 K N 2.093 122.573 120.400 0.134 0.000 2.205 35 K HA 0.838 5.158 4.320 0.001 0.000 0.279 35 K C -0.960 175.576 176.600 -0.107 0.000 1.027 35 K CA -0.191 56.023 56.287 -0.122 0.000 0.932 35 K CB 1.015 33.331 32.500 -0.306 0.000 1.032 35 K HN 0.857 9.107 8.250 -0.000 0.000 0.466 36 A N 3.437 126.159 122.820 -0.163 0.000 2.568 36 A HA 0.657 4.977 4.320 0.001 0.000 0.291 36 A C -1.630 175.923 177.584 -0.051 0.000 1.159 36 A CA -1.063 50.913 52.037 -0.102 0.000 0.679 36 A CB 1.273 20.211 19.000 -0.102 0.000 1.285 36 A HN 0.904 9.054 8.150 -0.000 0.000 0.428 37 R N 0.549 121.085 120.500 0.059 0.000 2.725 37 R HA 0.510 4.851 4.340 0.001 0.000 0.277 37 R C -1.124 175.335 176.300 0.267 0.000 0.987 37 R CA -0.719 55.465 56.100 0.140 0.000 0.901 37 R CB 1.149 31.478 30.300 0.050 0.000 1.207 37 R HN 0.840 9.110 8.270 -0.000 0.000 0.463 38 H N 3.144 122.348 119.070 0.224 0.000 2.929 38 H HA 0.099 4.656 4.556 0.001 0.000 0.317 38 H C 0.373 175.666 175.328 -0.059 0.000 1.031 38 H CA 0.576 56.625 56.048 0.003 0.000 1.466 38 H CB 0.985 30.748 29.762 0.002 0.000 1.482 38 H HN 0.642 8.922 8.280 -0.000 0.000 0.561 39 R N 3.260 123.562 120.500 -0.330 0.000 2.193 39 R HA -0.121 4.220 4.340 0.001 0.000 0.229 39 R C 1.494 177.783 176.300 -0.018 0.000 1.110 39 R CA 1.394 57.400 56.100 -0.157 0.000 0.988 39 R CB 0.389 30.555 30.300 -0.224 0.000 0.871 39 R HN 0.592 8.862 8.270 -0.000 0.000 0.458 40 K N -1.085 119.409 120.400 0.155 0.000 2.262 40 K HA 0.034 4.355 4.320 0.001 0.000 0.200 40 K C 1.974 178.658 176.600 0.139 0.000 1.058 40 K CA 1.273 57.659 56.287 0.164 0.000 0.974 40 K CB 0.396 33.000 32.500 0.173 0.000 0.910 40 K HN 0.154 8.404 8.250 -0.000 0.000 0.484 41 T N -2.590 112.073 114.554 0.182 0.000 3.051 41 T HA 0.161 4.511 4.350 0.001 0.000 0.255 41 T C 1.545 176.282 174.700 0.061 0.000 1.085 41 T CA 0.619 62.732 62.100 0.022 0.000 1.109 41 T CB 0.406 69.195 68.868 -0.131 0.000 0.921 41 T HN 0.320 8.560 8.240 -0.000 0.000 0.488 42 G N 1.317 110.191 108.800 0.123 0.000 2.159 42 G HA2 -0.302 3.659 3.960 0.001 0.000 0.256 42 G HA3 -0.302 3.659 3.960 0.001 0.000 0.256 42 G C -0.060 174.903 174.900 0.105 0.000 0.977 42 G CA 0.215 45.371 45.100 0.093 0.000 0.652 42 G HN 0.897 9.187 8.290 -0.000 0.000 0.531 43 Q N 0.790 120.673 119.800 0.138 0.000 2.239 43 Q HA 0.203 4.544 4.340 0.001 0.000 0.286 43 Q C 0.177 176.275 176.000 0.165 0.000 1.102 43 Q CA 0.034 55.920 55.803 0.138 0.000 0.936 43 Q CB 0.329 29.148 28.738 0.135 0.000 1.127 43 Q HN 0.099 8.369 8.270 -0.000 0.000 0.380 44 K N 3.552 124.022 120.400 0.116 0.000 2.416 44 K HA 0.149 4.470 4.320 0.001 0.000 0.283 44 K C -0.244 176.439 176.600 0.138 0.000 1.037 44 K CA 0.079 56.413 56.287 0.078 0.000 0.995 44 K CB 0.610 33.165 32.500 0.092 0.000 0.938 44 K HN 0.550 8.800 8.250 -0.000 0.000 0.475 45 V N -1.152 118.797 119.914 0.058 0.000 3.167 45 V HA 0.908 5.028 4.120 0.001 0.000 0.310 45 V C -1.160 174.997 176.094 0.105 0.000 1.207 45 V CA -1.219 61.138 62.300 0.095 0.000 1.059 45 V CB 2.080 33.835 31.823 -0.113 0.000 1.079 45 V HN 0.637 8.827 8.190 -0.000 0.000 0.446 46 A N 1.968 124.916 122.820 0.214 0.000 2.343 46 A HA 0.866 5.187 4.320 0.001 0.000 0.308 46 A C -0.899 176.825 177.584 0.234 0.000 1.092 46 A CA -0.672 51.523 52.037 0.262 0.000 0.751 46 A CB 1.053 20.274 19.000 0.369 0.000 1.203 46 A HN 1.028 9.178 8.150 -0.000 0.000 0.452 47 L N 2.193 123.528 121.223 0.186 0.000 2.275 47 L HA 0.536 4.877 4.340 0.001 0.000 0.288 47 L C 0.286 177.390 176.870 0.390 0.000 1.046 47 L CA -0.373 54.599 54.840 0.220 0.000 0.805 47 L CB 1.394 43.483 42.059 0.048 0.000 1.193 47 L HN 0.750 8.980 8.230 -0.000 0.000 0.426 48 K N 4.539 125.206 120.400 0.446 0.000 2.483 48 K HA 0.280 4.601 4.320 0.001 0.000 0.256 48 K C -0.666 176.103 176.600 0.281 0.000 0.961 48 K CA -0.745 55.754 56.287 0.353 0.000 0.873 48 K CB 1.372 34.093 32.500 0.369 0.000 1.107 48 K HN 0.442 8.692 8.250 -0.000 0.000 0.432 49 K N 3.496 123.976 120.400 0.133 0.000 2.368 49 K HA 0.086 4.407 4.320 0.001 0.000 0.282 49 K C -0.578 175.925 176.600 -0.160 0.000 1.035 49 K CA -0.441 55.682 56.287 -0.273 0.000 0.973 49 K CB 0.866 33.136 32.500 -0.383 0.000 0.957 49 K HN 0.339 8.589 8.250 -0.000 0.000 0.474 50 V N 6.960 126.757 119.914 -0.194 0.000 2.421 50 V HA 0.037 4.158 4.120 0.001 0.000 0.271 50 V C 0.371 176.342 176.094 -0.205 0.000 1.031 50 V CA -0.147 62.054 62.300 -0.166 0.000 1.032 50 V CB 0.104 31.817 31.823 -0.183 0.000 1.009 50 V HN 0.656 8.846 8.190 -0.000 0.000 0.477 51 L N 6.869 127.996 121.223 -0.161 0.000 2.367 51 L HA 0.395 4.735 4.340 0.001 0.000 0.275 51 L C 0.519 177.293 176.870 -0.160 0.000 1.129 51 L CA 0.301 55.059 54.840 -0.137 0.000 0.839 51 L CB 0.606 42.610 42.059 -0.092 0.000 1.133 51 L HN 0.618 8.848 8.230 -0.000 0.000 0.453 52 M N 2.658 122.178 119.600 -0.133 0.000 3.404 52 M HA 0.110 4.591 4.480 0.001 0.000 0.398 52 M C 0.883 177.142 176.300 -0.069 0.000 1.599 52 M CA -0.012 55.214 55.300 -0.124 0.000 0.696 52 M CB 0.927 33.441 32.600 -0.144 0.000 1.427 52 M HN 0.621 8.911 8.290 -0.000 0.000 0.502 53 E N 1.989 122.157 120.200 -0.053 0.000 2.106 53 E HA -0.094 4.257 4.350 0.001 0.000 0.192 53 E C 0.583 177.167 176.600 -0.026 0.000 0.984 53 E CA 0.844 57.227 56.400 -0.029 0.000 0.806 53 E CB 0.340 30.028 29.700 -0.020 0.000 0.750 53 E HN 0.572 8.932 8.360 -0.000 0.000 0.458 54 N N 0.892 119.571 118.700 -0.035 0.000 2.439 54 N HA 0.019 4.760 4.740 0.001 0.000 0.243 54 N C -1.440 174.052 175.510 -0.030 0.000 1.088 54 N CA -0.153 52.880 53.050 -0.027 0.000 0.940 54 N CB 0.495 38.966 38.487 -0.027 0.000 1.180 54 N HN 0.012 8.392 8.380 -0.000 0.000 0.505 55 E N 3.040 123.229 120.200 -0.017 0.000 2.155 55 E HA 0.274 4.625 4.350 0.001 0.000 0.264 55 E C -0.057 176.543 176.600 -0.000 0.000 0.886 55 E CA -0.645 55.748 56.400 -0.011 0.000 0.752 55 E CB 1.935 31.632 29.700 -0.005 0.000 1.133 55 E HN 0.383 8.743 8.360 -0.000 0.000 0.414 56 K N 1.619 122.021 120.400 0.005 0.000 3.152 56 K HA 0.046 4.366 4.320 0.001 0.000 0.247 56 K C 0.043 176.654 176.600 0.018 0.000 2.313 56 K CA 0.208 56.501 56.287 0.011 0.000 1.484 56 K CB 0.243 32.748 32.500 0.008 0.000 2.590 56 K HN 0.272 8.522 8.250 -0.000 0.000 0.508 57 E N 2.473 122.683 120.200 0.017 0.000 2.335 57 E HA 0.178 4.529 4.350 0.001 0.000 0.191 57 E C 0.838 177.464 176.600 0.044 0.000 1.150 57 E CA 0.636 57.053 56.400 0.028 0.000 1.001 57 E CB -0.686 29.029 29.700 0.025 0.000 1.127 57 E HN 0.627 8.987 8.360 -0.000 0.000 0.462 58 G N 1.553 110.381 108.800 0.045 0.000 2.574 58 G HA2 -0.350 3.611 3.960 0.001 0.000 0.282 58 G HA3 -0.350 3.611 3.960 0.001 0.000 0.282 58 G C -0.058 174.900 174.900 0.097 0.000 1.257 58 G CA -0.144 45.004 45.100 0.079 0.000 0.956 58 G HN 0.386 8.676 8.290 -0.000 0.000 0.560 59 F N 3.284 123.237 119.950 0.005 0.000 2.612 59 F HA 0.406 4.934 4.527 0.001 0.000 0.389 59 F C -1.100 174.704 175.800 0.006 0.000 1.055 59 F CA -0.341 57.661 58.000 0.004 0.000 1.232 59 F CB 0.396 39.400 39.000 0.005 0.000 1.044 59 F HN 0.257 8.557 8.300 -0.000 0.000 0.560 60 P HA -0.045 4.375 4.420 -0.000 0.000 0.260 60 P C 1.149 178.475 177.300 0.043 0.000 1.185 60 P CA 0.415 63.456 63.100 -0.099 0.000 0.763 60 P CB 0.431 32.004 31.700 -0.212 0.000 0.776 61 I N 2.713 123.322 120.570 0.064 0.000 2.530 61 I HA -0.273 3.897 4.170 0.001 0.000 0.257 61 I C 1.877 178.037 176.117 0.072 0.000 1.179 61 I CA 1.733 63.084 61.300 0.085 0.000 1.440 61 I CB 0.005 38.042 38.000 0.062 0.000 1.087 61 I HN 0.347 8.557 8.210 -0.000 0.000 0.440 62 T N -0.096 114.481 114.554 0.037 0.000 2.821 62 T HA -0.088 4.263 4.350 0.001 0.000 0.267 62 T C 1.837 176.565 174.700 0.047 0.000 1.046 62 T CA 1.426 63.543 62.100 0.029 0.000 1.139 62 T CB -0.132 68.736 68.868 -0.001 0.000 0.871 62 T HN 0.535 8.775 8.240 -0.000 0.000 0.454 63 A N 1.007 123.849 122.820 0.036 0.000 1.897 63 A HA 0.161 4.482 4.320 0.001 0.000 0.215 63 A C 2.325 180.038 177.584 0.215 0.000 1.181 63 A CA 1.197 53.286 52.037 0.087 0.000 0.620 63 A CB -0.786 18.170 19.000 -0.074 0.000 0.821 63 A HN 0.568 8.718 8.150 -0.000 0.000 0.443 64 L N -0.978 120.400 121.223 0.259 0.000 2.079 64 L HA -0.208 4.132 4.340 0.001 0.000 0.210 64 L C 2.851 179.791 176.870 0.116 0.000 1.081 64 L CA 1.503 56.463 54.840 0.201 0.000 0.752 64 L CB -0.501 41.661 42.059 0.172 0.000 0.896 64 L HN 0.349 8.579 8.230 -0.000 0.000 0.433 65 R N -0.217 120.343 120.500 0.100 0.000 2.081 65 R HA -0.190 4.151 4.340 0.001 0.000 0.235 65 R C 2.276 178.628 176.300 0.087 0.000 1.131 65 R CA 1.486 57.632 56.100 0.076 0.000 0.960 65 R CB -0.249 30.090 30.300 0.066 0.000 0.856 65 R HN 0.401 8.671 8.270 -0.000 0.000 0.436 66 E N 0.896 121.162 120.200 0.110 0.000 2.051 66 E HA -0.199 4.151 4.350 0.001 0.000 0.192 66 E C 1.962 178.632 176.600 0.115 0.000 0.991 66 E CA 1.203 57.688 56.400 0.142 0.000 0.799 66 E CB -0.020 29.778 29.700 0.163 0.000 0.748 66 E HN 0.260 8.620 8.360 -0.000 0.000 0.449 67 I N 0.915 121.549 120.570 0.106 0.000 2.163 67 I HA -0.299 3.871 4.170 0.001 0.000 0.243 67 I C 2.740 178.872 176.117 0.025 0.000 1.085 67 I CA 1.329 62.667 61.300 0.063 0.000 1.347 67 I CB -0.279 37.765 38.000 0.073 0.000 1.044 67 I HN 0.088 8.298 8.210 -0.000 0.000 0.408 68 K N 1.297 121.714 120.400 0.029 0.000 2.032 68 K HA -0.177 4.144 4.320 0.001 0.000 0.209 68 K C 2.126 178.722 176.600 -0.006 0.000 1.048 68 K CA 1.595 57.886 56.287 0.007 0.000 0.927 68 K CB -0.097 32.410 32.500 0.013 0.000 0.712 68 K HN 0.234 8.484 8.250 -0.000 0.000 0.441 69 I N 0.966 121.537 120.570 0.003 0.000 2.252 69 I HA -0.284 3.887 4.170 0.001 0.000 0.245 69 I C 2.131 178.187 176.117 -0.102 0.000 1.102 69 I CA 0.996 62.276 61.300 -0.034 0.000 1.385 69 I CB -0.146 37.862 38.000 0.015 0.000 1.064 69 I HN 0.182 8.392 8.210 -0.000 0.000 0.414 70 L N -0.012 121.166 121.223 -0.075 0.000 2.083 70 L HA -0.237 4.103 4.340 0.001 0.000 0.209 70 L C 2.537 179.372 176.870 -0.058 0.000 1.083 70 L CA 1.428 56.215 54.840 -0.089 0.000 0.752 70 L CB -0.490 41.571 42.059 0.004 0.000 0.899 70 L HN 0.314 8.544 8.230 -0.000 0.000 0.433 71 Q N -0.707 119.069 119.800 -0.039 0.000 2.297 71 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 71 Q C 2.106 178.095 176.000 -0.019 0.000 0.962 71 Q CA 0.924 56.709 55.803 -0.030 0.000 0.879 71 Q CB 0.022 28.742 28.738 -0.030 0.000 0.947 71 Q HN 0.382 8.652 8.270 -0.000 0.000 0.462 72 L N 0.077 121.286 121.223 -0.024 0.000 2.102 72 L HA 0.063 4.404 4.340 0.001 0.000 0.202 72 L C 0.410 177.303 176.870 0.039 0.000 1.076 72 L CA 1.028 55.863 54.840 -0.009 0.000 0.761 72 L CB 0.111 42.151 42.059 -0.033 0.000 0.921 72 L HN 0.028 8.258 8.230 -0.000 0.000 0.444 73 L N 2.804 124.042 121.223 0.025 0.000 2.385 73 L HA 0.234 4.574 4.340 0.001 0.000 0.281 73 L C -0.420 176.544 176.870 0.158 0.000 1.106 73 L CA -0.058 54.889 54.840 0.178 0.000 0.856 73 L CB -0.040 42.041 42.059 0.036 0.000 1.186 73 L HN 0.071 8.301 8.230 -0.000 0.000 0.453 74 K N 4.357 124.882 120.400 0.208 0.000 2.604 74 K HA 0.462 4.782 4.320 0.001 0.000 0.247 74 K C -1.141 175.358 176.600 -0.169 0.000 0.956 74 K CA -0.530 55.773 56.287 0.026 0.000 0.896 74 K CB 1.748 34.271 32.500 0.037 0.000 1.131 74 K HN 0.519 8.769 8.250 -0.000 0.000 0.440 75 H N 1.488 120.337 119.070 -0.368 0.000 3.094 75 H HA 0.132 4.688 4.556 0.001 0.000 0.346 75 H C 0.162 175.343 175.328 -0.246 0.000 1.238 75 H CA -0.248 55.491 56.048 -0.515 0.000 1.209 75 H CB 1.729 30.769 29.762 -1.202 0.000 1.911 75 H HN 0.428 8.708 8.280 -0.000 0.000 0.540 76 E N 2.345 122.212 120.200 -0.555 0.000 2.187 76 E HA -0.180 4.170 4.350 0.001 0.000 0.199 76 E C 0.113 176.699 176.600 -0.022 0.000 1.004 76 E CA 1.440 57.673 56.400 -0.279 0.000 0.813 76 E CB 0.121 29.606 29.700 -0.357 0.000 0.736 76 E HN 0.549 8.909 8.360 -0.000 0.000 0.468 77 N N -0.592 118.272 118.700 0.274 0.000 2.279 77 N HA 0.088 4.828 4.740 0.001 0.000 0.226 77 N C -0.871 174.763 175.510 0.207 0.000 1.126 77 N CA -0.277 52.915 53.050 0.237 0.000 0.846 77 N CB 1.316 39.952 38.487 0.248 0.000 1.050 77 N HN -0.182 8.198 8.380 -0.000 0.000 0.502 78 V N 0.654 120.684 119.914 0.193 0.000 2.735 78 V HA 0.253 4.374 4.120 0.001 0.000 0.310 78 V C 0.122 176.304 176.094 0.146 0.000 1.061 78 V CA -1.069 61.340 62.300 0.183 0.000 0.913 78 V CB 2.496 34.401 31.823 0.137 0.000 1.005 78 V HN -0.145 8.045 8.190 -0.000 0.000 0.428 79 V N 3.923 123.955 119.914 0.197 0.000 2.694 79 V HA 0.065 4.186 4.120 0.001 0.000 0.306 79 V C 0.377 176.602 176.094 0.218 0.000 1.054 79 V CA 0.351 62.762 62.300 0.185 0.000 1.161 79 V CB 0.978 32.899 31.823 0.164 0.000 0.916 79 V HN 1.027 9.217 8.190 -0.000 0.000 0.490 80 N N 4.913 123.749 118.700 0.227 0.000 2.437 80 N HA 0.353 5.093 4.740 0.001 0.000 0.259 80 N C -0.902 174.731 175.510 0.205 0.000 0.983 80 N CA -0.566 52.590 53.050 0.177 0.000 0.937 80 N CB 1.234 39.781 38.487 0.100 0.000 1.122 80 N HN 0.649 9.029 8.380 -0.000 0.000 0.499 81 L N 5.554 126.816 121.223 0.065 0.000 2.315 81 L HA 0.383 4.724 4.340 0.001 0.000 0.283 81 L C 0.562 177.364 176.870 -0.113 0.000 1.089 81 L CA 0.285 55.000 54.840 -0.208 0.000 0.833 81 L CB 0.239 42.128 42.059 -0.284 0.000 1.170 81 L HN 0.714 8.944 8.230 -0.000 0.000 0.442 82 I N 3.378 123.885 120.570 -0.104 0.000 2.235 82 I HA 0.013 4.184 4.170 0.001 0.000 0.241 82 I C 0.670 176.776 176.117 -0.018 0.000 1.085 82 I CA 0.783 62.071 61.300 -0.019 0.000 1.378 82 I CB -0.001 38.025 38.000 0.043 0.000 1.076 82 I HN 0.802 9.012 8.210 -0.000 0.000 0.415 83 E N 0.082 120.256 120.200 -0.043 0.000 2.435 83 E HA 0.464 4.815 4.350 0.001 0.000 0.277 83 E C -1.200 175.385 176.600 -0.024 0.000 1.106 83 E CA -0.775 55.623 56.400 -0.003 0.000 0.868 83 E CB 1.544 31.289 29.700 0.076 0.000 1.454 83 E HN -0.050 8.310 8.360 -0.000 0.000 0.452 84 I N 1.144 121.727 120.570 0.021 0.000 2.418 84 I HA 0.415 4.586 4.170 0.001 0.000 0.287 84 I C -0.603 175.573 176.117 0.098 0.000 1.008 84 I CA -0.782 60.546 61.300 0.046 0.000 1.104 84 I CB 1.339 39.358 38.000 0.032 0.000 1.264 84 I HN 0.584 8.794 8.210 -0.000 0.000 0.438 85 C N 5.039 124.427 119.300 0.147 0.000 2.531 85 C HA 0.787 5.248 4.460 0.001 0.000 0.369 85 C C 0.148 175.263 174.990 0.209 0.000 1.258 85 C CA -0.628 58.491 59.018 0.169 0.000 1.876 85 C CB 1.926 29.778 27.740 0.186 0.000 2.256 85 C HN 0.860 9.090 8.230 -0.000 0.000 0.510 86 R N -0.435 120.174 120.500 0.182 0.000 2.799 86 R HA 0.760 5.101 4.340 0.001 0.000 0.270 86 R C -1.454 174.949 176.300 0.172 0.000 1.010 86 R CA -0.330 55.884 56.100 0.190 0.000 0.916 86 R CB 1.171 31.540 30.300 0.115 0.000 1.228 86 R HN 0.719 8.989 8.270 -0.000 0.000 0.469 87 T N -0.782 113.879 114.554 0.179 0.000 2.791 87 T HA 0.307 4.658 4.350 0.001 0.000 0.288 87 T C 0.053 174.803 174.700 0.084 0.000 0.999 87 T CA -1.095 61.084 62.100 0.130 0.000 0.952 87 T CB 0.965 69.941 68.868 0.180 0.000 0.938 87 T HN 0.715 8.955 8.240 -0.000 0.000 0.444 98 S N 0.206 115.932 115.700 0.043 0.000 2.638 98 S HA 0.813 5.283 4.470 0.001 0.000 0.302 98 S C -0.600 173.995 174.600 -0.008 0.000 1.096 98 S CA -0.786 57.389 58.200 -0.042 0.000 0.953 98 S CB 1.579 64.683 63.200 -0.160 0.000 1.107 98 S HN 0.557 8.867 8.310 -0.000 0.000 0.503 99 I N 1.945 122.453 120.570 -0.102 0.000 2.465 99 I HA 0.442 4.613 4.170 0.001 0.000 0.291 99 I C -1.419 174.628 176.117 -0.117 0.000 1.014 99 I CA -0.655 60.665 61.300 0.034 0.000 1.093 99 I CB 1.292 39.417 38.000 0.209 0.000 1.267 99 I HN 0.650 8.860 8.210 -0.000 0.000 0.431 100 Y N 5.315 125.676 120.300 0.101 0.000 2.391 100 Y HA 0.474 5.025 4.550 0.001 0.000 0.341 100 Y C -0.310 175.619 175.900 0.049 0.000 0.965 100 Y CA -0.900 57.252 58.100 0.087 0.000 1.067 100 Y CB 2.041 40.550 38.460 0.081 0.000 1.199 100 Y HN 0.277 8.557 8.280 -0.000 0.000 0.450 101 L N 4.072 125.410 121.223 0.193 0.000 2.290 101 L HA 0.450 4.791 4.340 0.001 0.000 0.284 101 L C -0.525 176.300 176.870 -0.075 0.000 1.078 101 L CA -0.322 54.504 54.840 -0.023 0.000 0.815 101 L CB 1.019 43.058 42.059 -0.033 0.000 1.162 101 L HN 0.369 8.599 8.230 -0.000 0.000 0.435 102 V N 4.855 124.634 119.914 -0.224 0.000 2.370 102 V HA 0.466 4.586 4.120 0.001 0.000 0.283 102 V C -0.224 175.701 176.094 -0.282 0.000 1.023 102 V CA -0.497 61.695 62.300 -0.180 0.000 0.857 102 V CB 0.907 32.622 31.823 -0.180 0.000 0.985 102 V HN 0.397 8.587 8.190 -0.000 0.000 0.443 103 F N 1.179 121.139 119.950 0.017 0.000 2.556 103 F HA 0.457 4.985 4.527 0.001 0.000 0.327 103 F C 0.637 176.475 175.800 0.063 0.000 1.059 103 F CA -0.957 57.072 58.000 0.050 0.000 0.953 103 F CB 1.179 40.221 39.000 0.071 0.000 1.227 103 F HN 0.375 8.675 8.300 -0.000 0.000 0.478 104 D N 1.436 122.010 120.400 0.289 0.000 2.424 104 D HA 0.013 4.653 4.640 0.001 0.000 0.244 104 D C -0.652 175.788 176.300 0.233 0.000 1.134 104 D CA 0.292 54.418 54.000 0.209 0.000 0.881 104 D CB 0.823 41.711 40.800 0.146 0.000 1.191 104 D HN 0.248 8.618 8.370 -0.000 0.000 0.445 105 F N 3.024 123.017 119.950 0.072 0.000 2.412 105 F HA 0.194 4.721 4.527 0.001 0.000 0.348 105 F C -0.322 175.487 175.800 0.015 0.000 1.102 105 F CA -0.797 57.227 58.000 0.039 0.000 1.196 105 F CB 0.476 39.491 39.000 0.025 0.000 1.144 105 F HN 0.207 8.507 8.300 -0.000 0.000 0.541 106 C N 6.474 125.253 119.300 -0.868 0.000 2.345 106 C HA 0.263 4.723 4.460 0.001 0.000 0.323 106 C C 1.361 175.650 174.990 -1.169 0.000 1.276 106 C CA -0.685 57.920 59.018 -0.689 0.000 1.543 106 C CB 0.974 28.503 27.740 -0.351 0.000 2.211 106 C HN 0.969 9.199 8.230 -0.000 0.000 0.493 107 E N 1.213 120.943 120.200 -0.784 0.000 2.110 107 E HA -0.099 4.251 4.350 0.001 0.000 0.193 107 E C 0.061 176.240 176.600 -0.702 0.000 0.988 107 E CA 1.688 57.652 56.400 -0.727 0.000 0.804 107 E CB 0.050 29.375 29.700 -0.626 0.000 0.745 107 E HN 0.881 9.241 8.360 -0.000 0.000 0.458 108 H N -0.423 118.502 119.070 -0.243 0.000 2.747 108 H HA 0.365 4.921 4.556 0.001 0.000 0.371 108 H C -0.772 174.478 175.328 -0.129 0.000 1.161 108 H CA -0.687 55.265 56.048 -0.160 0.000 1.167 108 H CB 1.271 30.944 29.762 -0.149 0.000 1.732 108 H HN 0.054 8.334 8.280 -0.000 0.000 0.544 109 D N 1.734 122.168 120.400 0.056 0.000 2.269 109 D HA 0.064 4.705 4.640 0.001 0.000 0.244 109 D C 0.643 176.962 176.300 0.032 0.000 0.992 109 D CA -0.704 53.298 54.000 0.004 0.000 0.894 109 D CB 2.467 43.251 40.800 -0.026 0.000 1.248 109 D HN 0.363 8.733 8.370 -0.000 0.000 0.468 110 L N 2.414 123.635 121.223 -0.003 0.000 2.083 110 L HA -0.063 4.278 4.340 0.001 0.000 0.209 110 L C 2.403 179.279 176.870 0.009 0.000 1.083 110 L CA 2.204 57.042 54.840 -0.004 0.000 0.752 110 L CB -1.087 40.937 42.059 -0.059 0.000 0.899 110 L HN 0.698 8.928 8.230 -0.000 0.000 0.433 111 A N -0.617 122.206 122.820 0.004 0.000 1.917 111 A HA -0.154 4.167 4.320 0.001 0.000 0.219 111 A C 2.337 179.953 177.584 0.054 0.000 1.182 111 A CA 1.801 53.856 52.037 0.030 0.000 0.633 111 A CB -1.526 17.489 19.000 0.026 0.000 0.819 111 A HN 0.522 8.672 8.150 -0.000 0.000 0.448 112 G N -0.618 108.220 108.800 0.063 0.000 2.394 112 G HA2 -0.067 3.894 3.960 0.001 0.000 0.215 112 G HA3 -0.067 3.894 3.960 0.001 0.000 0.215 112 G C 1.547 176.521 174.900 0.125 0.000 1.165 112 G CA 0.861 46.016 45.100 0.091 0.000 0.784 112 G HN 0.424 8.714 8.290 -0.000 0.000 0.535 113 L N -0.087 121.219 121.223 0.139 0.000 2.093 113 L HA 0.048 4.389 4.340 0.001 0.000 0.208 113 L C 2.803 179.808 176.870 0.224 0.000 1.085 113 L CA 0.526 55.480 54.840 0.190 0.000 0.755 113 L CB -0.244 41.941 42.059 0.210 0.000 0.904 113 L HN 0.196 8.426 8.230 -0.000 0.000 0.435 114 L N -1.669 119.640 121.223 0.144 0.000 2.131 114 L HA -0.096 4.245 4.340 0.001 0.000 0.206 114 L C 2.647 179.566 176.870 0.081 0.000 1.087 114 L CA 0.584 55.481 54.840 0.095 0.000 0.767 114 L CB -0.409 41.639 42.059 -0.018 0.000 0.917 114 L HN 0.121 8.351 8.230 -0.000 0.000 0.441 115 S N -0.005 115.737 115.700 0.071 0.000 2.368 115 S HA -0.139 4.332 4.470 0.001 0.000 0.225 115 S C 1.203 175.828 174.600 0.042 0.000 1.030 115 S CA 0.886 59.118 58.200 0.054 0.000 0.999 115 S CB -0.425 62.806 63.200 0.052 0.000 0.844 115 S HN 0.365 8.675 8.310 -0.000 0.000 0.459 116 N N 2.370 121.100 118.700 0.050 0.000 2.819 116 N HA 0.041 4.782 4.740 0.001 0.000 0.284 116 N C 0.434 175.962 175.510 0.031 0.000 1.196 116 N CA -0.031 53.023 53.050 0.007 0.000 1.114 116 N CB -0.058 38.433 38.487 0.007 0.000 1.437 116 N HN -0.027 8.353 8.380 -0.000 0.000 0.518 117 V N 2.836 122.765 119.914 0.024 0.000 3.284 117 V HA -0.194 3.927 4.120 0.001 0.000 0.273 117 V C 2.021 178.138 176.094 0.038 0.000 1.178 117 V CA 1.081 63.409 62.300 0.047 0.000 1.177 117 V CB -0.690 31.157 31.823 0.039 0.000 0.793 117 V HN 0.646 8.836 8.190 -0.000 0.000 0.536 118 L N -0.908 120.320 121.223 0.009 0.000 2.341 118 L HA 0.069 4.409 4.340 0.001 0.000 0.214 118 L C 0.886 177.808 176.870 0.086 0.000 1.115 118 L CA 0.235 55.102 54.840 0.046 0.000 0.820 118 L CB 0.073 42.144 42.059 0.021 0.000 0.944 118 L HN 0.170 8.400 8.230 -0.000 0.000 0.452 119 V N 1.452 121.408 119.914 0.070 0.000 2.614 119 V HA 0.106 4.227 4.120 0.001 0.000 0.291 119 V C 0.190 176.258 176.094 -0.044 0.000 1.049 119 V CA -0.272 62.033 62.300 0.007 0.000 1.038 119 V CB 1.047 32.872 31.823 0.004 0.000 0.980 119 V HN 0.084 8.274 8.190 -0.000 0.000 0.481 120 K N 4.168 124.481 120.400 -0.144 0.000 2.221 120 K HA 0.565 4.886 4.320 0.001 0.000 0.258 120 K C -1.151 175.283 176.600 -0.276 0.000 0.944 120 K CA -0.359 55.867 56.287 -0.102 0.000 0.823 120 K CB 1.830 34.302 32.500 -0.047 0.000 1.113 120 K HN 0.421 8.671 8.250 -0.000 0.000 0.431 121 F N 1.011 120.934 119.950 -0.046 0.000 2.449 121 F HA 0.170 4.698 4.527 0.001 0.000 0.342 121 F C 0.975 176.741 175.800 -0.056 0.000 1.127 121 F CA -0.644 57.309 58.000 -0.079 0.000 0.975 121 F CB 1.575 40.483 39.000 -0.153 0.000 1.146 121 F HN 0.412 8.712 8.300 -0.000 0.000 0.444 122 T N 0.983 115.599 114.554 0.103 0.000 2.904 122 T HA 0.180 4.530 4.350 0.001 0.000 0.290 122 T C 1.128 175.892 174.700 0.107 0.000 1.018 122 T CA -0.776 61.376 62.100 0.086 0.000 1.075 122 T CB 1.168 70.061 68.868 0.042 0.000 0.986 122 T HN 0.584 8.824 8.240 -0.000 0.000 0.523 123 L N 2.061 123.365 121.223 0.136 0.000 2.081 123 L HA -0.076 4.265 4.340 0.001 0.000 0.212 123 L C 2.701 179.623 176.870 0.087 0.000 1.080 123 L CA 2.374 57.327 54.840 0.188 0.000 0.754 123 L CB -1.345 40.851 42.059 0.229 0.000 0.893 123 L HN 0.936 9.166 8.230 -0.000 0.000 0.433 124 S N -0.919 114.801 115.700 0.034 0.000 2.368 124 S HA -0.209 4.261 4.470 0.001 0.000 0.225 124 S C 1.849 176.440 174.600 -0.014 0.000 1.030 124 S CA 1.577 59.761 58.200 -0.026 0.000 0.999 124 S CB -0.287 62.901 63.200 -0.020 0.000 0.844 124 S HN 0.701 9.011 8.310 -0.000 0.000 0.459 125 E N 0.384 120.605 120.200 0.034 0.000 2.107 125 E HA -0.023 4.328 4.350 0.001 0.000 0.191 125 E C 2.055 178.710 176.600 0.091 0.000 0.982 125 E CA 1.206 57.648 56.400 0.071 0.000 0.809 125 E CB -0.214 29.549 29.700 0.105 0.000 0.756 125 E HN 0.553 8.913 8.360 -0.000 0.000 0.459 126 I N 1.438 122.041 120.570 0.054 0.000 2.226 126 I HA -0.303 3.868 4.170 0.001 0.000 0.245 126 I C 2.275 178.422 176.117 0.051 0.000 1.100 126 I CA 1.247 62.503 61.300 -0.074 0.000 1.374 126 I CB -0.215 37.605 38.000 -0.300 0.000 1.057 126 I HN 0.041 8.251 8.210 -0.000 0.000 0.413 127 K N 0.338 120.760 120.400 0.037 0.000 2.032 127 K HA -0.258 4.063 4.320 0.001 0.000 0.209 127 K C 2.276 178.978 176.600 0.169 0.000 1.048 127 K CA 1.561 57.816 56.287 -0.053 0.000 0.927 127 K CB -0.252 31.983 32.500 -0.442 0.000 0.712 127 K HN 0.039 8.289 8.250 -0.000 0.000 0.441 128 R N 1.229 121.769 120.500 0.066 0.000 2.105 128 R HA -0.106 4.234 4.340 0.001 0.000 0.239 128 R C 1.925 178.274 176.300 0.081 0.000 1.135 128 R CA 1.205 57.341 56.100 0.059 0.000 0.967 128 R CB -0.639 29.670 30.300 0.016 0.000 0.861 128 R HN 0.003 8.273 8.270 -0.000 0.000 0.442 129 V N 0.294 120.256 119.914 0.080 0.000 2.261 129 V HA -0.269 3.852 4.120 0.001 0.000 0.246 129 V C 2.290 178.432 176.094 0.081 0.000 1.047 129 V CA 1.917 64.246 62.300 0.049 0.000 1.015 129 V CB -0.414 31.396 31.823 -0.022 0.000 0.642 129 V HN 0.300 8.490 8.190 -0.000 0.000 0.446 130 M N -0.571 119.136 119.600 0.177 0.000 2.213 130 M HA -0.196 4.285 4.480 0.001 0.000 0.263 130 M C 2.183 178.648 176.300 0.276 0.000 1.062 130 M CA 1.572 57.041 55.300 0.282 0.000 1.105 130 M CB -1.276 31.597 32.600 0.455 0.000 1.385 130 M HN 0.488 8.778 8.290 -0.000 0.000 0.417 131 Q N 0.096 120.044 119.800 0.246 0.000 2.050 131 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 131 Q C 2.071 177.992 176.000 -0.131 0.000 0.980 131 Q CA 1.523 57.170 55.803 -0.260 0.000 0.840 131 Q CB 0.043 28.624 28.738 -0.263 0.000 0.898 131 Q HN 0.464 8.734 8.270 -0.000 0.000 0.424 132 M N -0.122 119.463 119.600 -0.025 0.000 2.132 132 M HA -0.164 4.317 4.480 0.001 0.000 0.263 132 M C 2.200 178.514 176.300 0.022 0.000 1.065 132 M CA 0.842 56.146 55.300 0.006 0.000 1.122 132 M CB -0.317 32.295 32.600 0.019 0.000 1.365 132 M HN 0.311 8.601 8.290 -0.000 0.000 0.411 133 L N 1.035 122.269 121.223 0.018 0.000 1.989 133 L HA -0.162 4.178 4.340 0.001 0.000 0.211 133 L C 2.068 178.944 176.870 0.011 0.000 1.071 133 L CA 1.927 56.773 54.840 0.009 0.000 0.749 133 L CB -0.803 41.257 42.059 0.003 0.000 0.890 133 L HN 0.250 8.480 8.230 -0.000 0.000 0.431 134 L N -0.457 120.775 121.223 0.015 0.000 2.141 134 L HA -0.175 4.166 4.340 0.001 0.000 0.209 134 L C 2.294 179.185 176.870 0.035 0.000 1.094 134 L CA 1.271 56.126 54.840 0.026 0.000 0.763 134 L CB -0.666 41.399 42.059 0.010 0.000 0.908 134 L HN 0.406 8.636 8.230 -0.000 0.000 0.437 135 N N 0.390 119.094 118.700 0.007 0.000 2.188 135 N HA -0.113 4.627 4.740 0.001 0.000 0.184 135 N C 1.829 177.368 175.510 0.048 0.000 1.018 135 N CA 1.350 54.432 53.050 0.053 0.000 0.858 135 N CB -0.151 38.374 38.487 0.064 0.000 0.989 135 N HN 0.211 8.591 8.380 -0.000 0.000 0.426 136 G N 0.382 109.193 108.800 0.019 0.000 2.402 136 G HA2 -0.139 3.822 3.960 0.001 0.000 0.216 136 G HA3 -0.139 3.822 3.960 0.001 0.000 0.216 136 G C 1.551 176.435 174.900 -0.025 0.000 1.162 136 G CA 0.472 45.547 45.100 -0.042 0.000 0.777 136 G HN 0.310 8.600 8.290 -0.000 0.000 0.539 137 L N -0.975 120.223 121.223 -0.042 0.000 2.093 137 L HA -0.038 4.303 4.340 0.001 0.000 0.208 137 L C 2.537 179.270 176.870 -0.230 0.000 1.085 137 L CA 1.006 55.719 54.840 -0.212 0.000 0.755 137 L CB -0.430 41.544 42.059 -0.143 0.000 0.904 137 L HN 0.302 8.532 8.230 -0.000 0.000 0.435 138 Y N -0.224 120.025 120.300 -0.084 0.000 2.097 138 Y HA -0.399 4.152 4.550 0.001 0.000 0.282 138 Y C 2.692 178.594 175.900 0.003 0.000 1.152 138 Y CA 1.966 60.076 58.100 0.017 0.000 1.136 138 Y CB -0.614 37.877 38.460 0.053 0.000 0.975 138 Y HN 0.144 8.424 8.280 -0.000 0.000 0.498 139 Y N 1.174 121.460 120.300 -0.023 0.000 2.097 139 Y HA -0.318 4.233 4.550 0.001 0.000 0.282 139 Y C 2.426 178.245 175.900 -0.134 0.000 1.152 139 Y CA 2.457 60.477 58.100 -0.132 0.000 1.136 139 Y CB -0.818 37.392 38.460 -0.417 0.000 0.975 139 Y HN 0.344 8.624 8.280 -0.000 0.000 0.498 140 I N -2.126 118.324 120.570 -0.200 0.000 2.315 140 I HA -0.243 3.927 4.170 0.001 0.000 0.248 140 I C 1.957 178.040 176.117 -0.057 0.000 1.117 140 I CA 1.950 63.140 61.300 -0.183 0.000 1.404 140 I CB -0.854 37.192 38.000 0.077 0.000 1.071 140 I HN 0.244 8.454 8.210 -0.000 0.000 0.419 141 H N 0.511 119.570 119.070 -0.018 0.000 2.363 141 H HA -0.066 4.490 4.556 0.001 0.000 0.301 141 H C 2.299 177.617 175.328 -0.017 0.000 1.074 141 H CA 1.033 57.140 56.048 0.099 0.000 1.354 141 H CB 0.042 29.831 29.762 0.044 0.000 1.397 141 H HN 0.209 8.489 8.280 -0.000 0.000 0.516 142 R N 1.241 121.641 120.500 -0.167 0.000 2.105 142 R HA -0.079 4.262 4.340 0.001 0.000 0.239 142 R C 1.258 177.417 176.300 -0.235 0.000 1.135 142 R CA 1.278 57.208 56.100 -0.284 0.000 0.967 142 R CB -0.130 29.903 30.300 -0.445 0.000 0.861 142 R HN 0.329 8.599 8.270 -0.000 0.000 0.442 143 N N 0.920 119.443 118.700 -0.295 0.000 2.370 143 N HA -0.008 4.733 4.740 0.001 0.000 0.198 143 N C -0.610 174.779 175.510 -0.202 0.000 1.156 143 N CA 0.303 53.186 53.050 -0.279 0.000 0.839 143 N CB 0.377 38.617 38.487 -0.411 0.000 0.989 143 N HN 0.153 8.533 8.380 -0.000 0.000 0.468 144 K N 0.248 120.530 120.400 -0.197 0.000 3.125 144 K HA -0.134 4.187 4.320 0.001 0.000 0.268 144 K C -0.932 175.655 176.600 -0.021 0.000 1.078 144 K CA 0.588 56.581 56.287 -0.490 0.000 0.775 144 K CB -0.928 31.195 32.500 -0.628 0.000 1.253 144 K HN 0.142 8.392 8.250 -0.000 0.000 0.486 145 I N 1.103 121.895 120.570 0.370 0.000 2.569 145 I HA 0.405 4.576 4.170 0.001 0.000 0.296 145 I C 0.211 176.619 176.117 0.484 0.000 1.028 145 I CA -0.888 60.634 61.300 0.370 0.000 1.082 145 I CB 1.633 39.757 38.000 0.206 0.000 1.264 145 I HN 0.060 8.270 8.210 -0.000 0.000 0.429 146 L N 4.802 126.215 121.223 0.317 0.000 2.322 146 L HA 0.379 4.719 4.340 0.001 0.000 0.281 146 L C 1.457 178.450 176.870 0.206 0.000 1.014 146 L CA -0.632 54.326 54.840 0.197 0.000 0.815 146 L CB 1.723 43.797 42.059 0.026 0.000 1.247 146 L HN 0.612 8.842 8.230 -0.000 0.000 0.421 147 H N 4.706 123.846 119.070 0.117 0.000 2.299 147 H HA -0.019 4.537 4.556 0.001 0.000 0.302 147 H C 0.644 175.923 175.328 -0.080 0.000 1.078 147 H CA 1.636 57.653 56.048 -0.052 0.000 1.323 147 H CB 0.527 30.188 29.762 -0.168 0.000 1.381 147 H HN 0.601 8.880 8.280 -0.000 0.000 0.498 148 R N -0.098 120.495 120.500 0.154 0.000 3.953 148 R HA -0.198 4.142 4.340 0.001 0.000 0.340 148 R C -0.549 175.791 176.300 0.067 0.000 1.195 148 R CA 1.084 57.223 56.100 0.066 0.000 0.929 148 R CB -1.882 28.428 30.300 0.017 0.000 1.402 148 R HN 0.376 8.646 8.270 -0.000 0.000 0.540 149 D N -0.420 120.132 120.400 0.254 0.000 2.996 149 D HA 0.149 4.789 4.640 0.001 0.000 0.343 149 D C -0.123 176.179 176.300 0.002 0.000 1.574 149 D CA -0.232 53.827 54.000 0.099 0.000 0.773 149 D CB 0.390 41.196 40.800 0.009 0.000 1.241 149 D HN -0.035 8.335 8.370 -0.000 0.000 0.469 150 M N 1.441 120.958 119.600 -0.138 0.000 2.245 150 M HA 0.246 4.727 4.480 0.001 0.000 0.344 150 M C 0.195 176.155 176.300 -0.565 0.000 1.170 150 M CA 0.631 55.694 55.300 -0.395 0.000 1.135 150 M CB 0.351 32.792 32.600 -0.264 0.000 1.574 150 M HN 0.276 8.566 8.290 -0.000 0.000 0.452 151 K N 0.014 119.989 120.400 -0.709 0.000 2.894 151 K HA 0.463 4.784 4.320 0.001 0.000 0.293 151 K C -0.168 176.102 176.600 -0.550 0.000 1.091 151 K CA -0.285 55.281 56.287 -1.202 0.000 0.865 151 K CB 0.008 31.917 32.500 -0.985 0.000 1.441 151 K HN 0.370 8.620 8.250 -0.000 0.000 0.361 152 A N 1.269 123.886 122.820 -0.338 0.000 1.948 152 A HA -0.132 4.189 4.320 0.001 0.000 0.220 152 A C 2.203 179.716 177.584 -0.118 0.000 1.177 152 A CA 2.467 54.428 52.037 -0.127 0.000 0.636 152 A CB -1.072 17.934 19.000 0.010 0.000 0.815 152 A HN 0.923 9.073 8.150 -0.000 0.000 0.449 153 A N -0.506 122.243 122.820 -0.118 0.000 2.121 153 A HA -0.084 4.237 4.320 0.001 0.000 0.218 153 A C 1.422 178.936 177.584 -0.115 0.000 1.154 153 A CA 1.343 53.326 52.037 -0.090 0.000 0.679 153 A CB -0.370 18.586 19.000 -0.073 0.000 0.795 153 A HN 0.485 8.635 8.150 -0.000 0.000 0.458 154 N N -0.152 118.450 118.700 -0.163 0.000 2.295 154 N HA 0.188 4.929 4.740 0.001 0.000 0.221 154 N C -0.867 174.550 175.510 -0.154 0.000 1.129 154 N CA 0.275 53.232 53.050 -0.154 0.000 0.836 154 N CB 0.816 39.205 38.487 -0.165 0.000 1.040 154 N HN 0.140 8.520 8.380 -0.000 0.000 0.494 155 V N 2.063 121.898 119.914 -0.132 0.000 2.349 155 V HA 0.379 4.500 4.120 0.001 0.000 0.284 155 V C 0.087 176.139 176.094 -0.070 0.000 1.014 155 V CA -0.700 61.538 62.300 -0.104 0.000 0.826 155 V CB 1.592 33.348 31.823 -0.112 0.000 1.009 155 V HN 0.013 8.203 8.190 -0.000 0.000 0.431 156 L N 5.370 126.557 121.223 -0.061 0.000 2.360 156 L HA 0.669 5.010 4.340 0.001 0.000 0.271 156 L C -0.476 176.374 176.870 -0.032 0.000 1.057 156 L CA -0.603 54.200 54.840 -0.061 0.000 0.803 156 L CB 1.703 43.700 42.059 -0.103 0.000 1.207 156 L HN 0.418 8.648 8.230 -0.000 0.000 0.445 157 I N 0.664 121.228 120.570 -0.010 0.000 2.499 157 I HA 0.241 4.411 4.170 0.001 0.000 0.288 157 I C 0.217 176.361 176.117 0.045 0.000 1.048 157 I CA -0.461 60.849 61.300 0.017 0.000 1.062 157 I CB 2.412 40.424 38.000 0.019 0.000 1.238 157 I HN 0.675 8.885 8.210 -0.000 0.000 0.426 158 T N 1.666 116.227 114.554 0.011 0.000 2.849 158 T HA 0.240 4.591 4.350 0.001 0.000 0.284 158 T C 1.151 175.890 174.700 0.065 0.000 1.004 158 T CA -0.476 61.622 62.100 -0.003 0.000 1.021 158 T CB 1.503 70.363 68.868 -0.013 0.000 1.013 158 T HN 0.746 8.986 8.240 -0.000 0.000 0.527 159 R N 0.223 120.753 120.500 0.051 0.000 2.127 159 R HA -0.140 4.201 4.340 0.001 0.000 0.238 159 R C 0.814 177.144 176.300 0.049 0.000 1.134 159 R CA 1.877 58.028 56.100 0.084 0.000 0.975 159 R CB -0.477 29.857 30.300 0.058 0.000 0.865 159 R HN 0.671 8.941 8.270 -0.000 0.000 0.447 160 D N -0.809 119.609 120.400 0.029 0.000 2.349 160 D HA 0.080 4.721 4.640 0.001 0.000 0.224 160 D C 0.807 177.109 176.300 0.003 0.000 1.029 160 D CA 1.097 55.105 54.000 0.014 0.000 0.879 160 D CB 0.507 41.313 40.800 0.010 0.000 0.906 160 D HN 0.562 8.932 8.370 -0.000 0.000 0.528 161 G N 0.149 108.952 108.800 0.004 0.000 2.136 161 G HA2 -0.256 3.705 3.960 0.001 0.000 0.242 161 G HA3 -0.256 3.705 3.960 0.001 0.000 0.242 161 G C 0.194 175.092 174.900 -0.003 0.000 0.989 161 G CA 0.084 45.180 45.100 -0.007 0.000 0.682 161 G HN 0.273 8.563 8.290 -0.000 0.000 0.522 162 V N 1.401 121.314 119.914 -0.001 0.000 2.394 162 V HA 0.626 4.747 4.120 0.001 0.000 0.282 162 V C 0.821 176.917 176.094 0.003 0.000 1.031 162 V CA -0.710 61.589 62.300 -0.002 0.000 0.881 162 V CB 1.750 33.568 31.823 -0.008 0.000 0.982 162 V HN 0.485 8.675 8.190 -0.000 0.000 0.451 163 L N 6.191 127.420 121.223 0.009 0.000 2.371 163 L HA 0.526 4.866 4.340 0.001 0.000 0.272 163 L C -0.371 176.514 176.870 0.024 0.000 1.124 163 L CA -0.144 54.703 54.840 0.011 0.000 0.816 163 L CB 0.519 42.585 42.059 0.012 0.000 1.129 163 L HN 0.523 8.753 8.230 -0.000 0.000 0.448 164 K N 6.678 127.090 120.400 0.019 0.000 2.471 164 K HA 0.402 4.722 4.320 0.001 0.000 0.252 164 K C -1.106 175.528 176.600 0.056 0.000 0.938 164 K CA -0.622 55.696 56.287 0.051 0.000 0.796 164 K CB 2.200 34.724 32.500 0.040 0.000 1.161 164 K HN 0.640 8.890 8.250 -0.000 0.000 0.425 165 L N 2.174 123.468 121.223 0.118 0.000 2.410 165 L HA 0.352 4.693 4.340 0.001 0.000 0.273 165 L C 0.483 177.500 176.870 0.245 0.000 1.152 165 L CA -0.090 54.823 54.840 0.122 0.000 0.855 165 L CB 0.827 43.015 42.059 0.214 0.000 1.129 165 L HN 0.750 8.980 8.230 -0.000 0.000 0.463 166 A N 2.148 125.029 122.820 0.103 0.000 2.483 166 A HA 0.561 4.882 4.320 0.001 0.000 0.286 166 A C -0.569 177.021 177.584 0.011 0.000 1.207 166 A CA -0.434 51.666 52.037 0.105 0.000 0.764 166 A CB 1.219 20.183 19.000 -0.059 0.000 1.341 166 A HN 0.733 8.883 8.150 -0.000 0.000 0.428 167 D N -1.589 118.801 120.400 -0.015 0.000 3.620 167 D HA -0.164 4.477 4.640 0.001 0.000 0.237 167 D C -0.722 175.415 176.300 -0.271 0.000 1.111 167 D CA 0.766 54.720 54.000 -0.076 0.000 1.070 167 D CB -1.427 39.313 40.800 -0.099 0.000 0.891 167 D HN 0.437 8.807 8.370 -0.000 0.000 0.412 168 F N 0.418 120.315 119.950 -0.090 0.000 2.660 168 F HA 0.346 4.874 4.527 0.001 0.000 0.297 168 F C 2.299 178.031 175.800 -0.114 0.000 1.132 168 F CA 0.132 58.021 58.000 -0.186 0.000 1.372 168 F CB 0.539 39.507 39.000 -0.054 0.000 1.003 168 F HN 0.400 8.700 8.300 -0.000 0.000 0.524 169 G N -0.041 108.753 108.800 -0.010 0.000 2.498 169 G HA2 -0.141 3.820 3.960 0.001 0.000 0.219 169 G HA3 -0.141 3.820 3.960 0.001 0.000 0.219 169 G C 1.172 176.055 174.900 -0.028 0.000 1.119 169 G CA 0.652 45.758 45.100 0.010 0.000 0.766 169 G HN 0.434 8.724 8.290 -0.000 0.000 0.552 170 L N -0.026 121.139 121.223 -0.097 0.000 3.229 170 L HA 0.462 4.803 4.340 0.001 0.000 0.286 170 L C 1.103 177.930 176.870 -0.071 0.000 1.239 170 L CA -0.584 54.213 54.840 -0.071 0.000 1.035 170 L CB 0.604 42.617 42.059 -0.076 0.000 1.408 170 L HN 0.144 8.374 8.230 -0.000 0.000 0.593 171 A N 1.467 124.245 122.820 -0.071 0.000 2.287 171 A HA 0.791 5.111 4.320 0.001 0.000 0.273 171 A C 0.163 177.776 177.584 0.048 0.000 1.091 171 A CA -0.148 51.886 52.037 -0.006 0.000 0.817 171 A CB 0.576 19.645 19.000 0.115 0.000 1.069 171 A HN 0.497 8.647 8.150 -0.000 0.000 0.492 172 R N -0.698 119.835 120.500 0.056 0.000 2.752 172 R HA 0.733 5.073 4.340 0.001 0.000 0.271 172 R C -0.706 175.617 176.300 0.038 0.000 1.026 172 R CA -0.316 55.797 56.100 0.023 0.000 0.901 172 R CB 1.244 31.521 30.300 -0.038 0.000 1.243 172 R HN 1.027 9.297 8.270 -0.000 0.000 0.463 173 A N 1.151 123.974 122.820 0.005 0.000 2.302 173 A HA 0.688 5.009 4.320 0.001 0.000 0.285 173 A C -0.674 176.903 177.584 -0.012 0.000 1.105 173 A CA -0.617 51.430 52.037 0.016 0.000 0.816 173 A CB 0.165 19.145 19.000 -0.034 0.000 1.067 173 A HN 0.589 8.739 8.150 -0.000 0.000 0.489 174 F N 0.236 120.095 119.950 -0.151 0.000 2.611 174 F HA 0.796 5.324 4.527 0.001 0.000 0.324 174 F C 0.007 175.814 175.800 0.012 0.000 1.061 174 F CA -1.203 56.705 58.000 -0.154 0.000 0.954 174 F CB 1.292 40.182 39.000 -0.184 0.000 1.301 174 F HN 0.419 8.719 8.300 -0.000 0.000 0.482 175 S N 1.337 117.137 115.700 0.168 0.000 2.508 175 S HA 0.544 5.014 4.470 0.001 0.000 0.284 175 S C -0.499 174.110 174.600 0.016 0.000 1.192 175 S CA -0.761 57.440 58.200 0.001 0.000 1.070 175 S CB 0.359 63.610 63.200 0.085 0.000 1.004 175 S HN 0.699 9.009 8.310 -0.000 0.000 0.493 176 L N 4.389 125.543 121.223 -0.114 0.000 2.423 176 L HA 0.376 4.717 4.340 0.001 0.000 0.249 176 L C 0.412 177.287 176.870 0.008 0.000 1.276 176 L CA -0.453 54.366 54.840 -0.035 0.000 1.199 176 L CB -0.262 41.736 42.059 -0.102 0.000 1.407 176 L HN 0.706 8.936 8.230 -0.000 0.000 0.410 177 A N 2.008 124.857 122.820 0.047 0.000 2.511 177 A HA 0.366 4.686 4.320 0.001 0.000 0.340 177 A C 0.851 178.453 177.584 0.030 0.000 1.396 177 A CA -0.561 51.492 52.037 0.027 0.000 0.887 177 A CB 0.334 19.344 19.000 0.018 0.000 1.145 177 A HN 0.589 8.739 8.150 -0.000 0.000 0.497 178 K N 1.068 121.482 120.400 0.024 0.000 2.361 178 K HA -0.030 4.291 4.320 0.001 0.000 0.196 178 K C 1.033 177.639 176.600 0.011 0.000 1.039 178 K CA 0.306 56.607 56.287 0.023 0.000 1.001 178 K CB 0.138 32.651 32.500 0.023 0.000 0.795 178 K HN 0.712 8.962 8.250 -0.000 0.000 0.495 179 N N 1.275 119.979 118.700 0.006 0.000 2.058 179 N HA -0.121 4.619 4.740 0.001 0.000 0.180 179 N C 1.647 177.154 175.510 -0.005 0.000 1.097 179 N CA 1.343 54.393 53.050 -0.000 0.000 0.921 179 N CB -0.747 37.738 38.487 -0.003 0.000 1.033 179 N HN 0.066 8.446 8.380 -0.000 0.000 0.437 180 S N 1.298 116.993 115.700 -0.009 0.000 2.163 180 S HA 0.010 4.481 4.470 0.001 0.000 0.151 180 S C 0.659 175.247 174.600 -0.021 0.000 1.382 180 S CA -0.150 58.042 58.200 -0.014 0.000 2.383 180 S CB -0.592 62.599 63.200 -0.014 0.000 0.325 180 S HN 0.254 8.565 8.310 -0.000 0.000 0.349 181 Q N 2.772 122.556 119.800 -0.026 0.000 2.474 181 Q HA 0.440 4.781 4.340 0.001 0.000 0.256 181 Q C -2.365 173.602 176.000 -0.055 0.000 1.048 181 Q CA -1.414 54.366 55.803 -0.038 0.000 0.922 181 Q CB -1.140 27.576 28.738 -0.037 0.000 1.288 181 Q HN 0.457 8.727 8.270 -0.000 0.000 0.484 182 P HA 0.209 4.629 4.420 -0.000 0.000 0.286 182 P C -0.481 176.719 177.300 -0.167 0.000 1.269 182 P CA -0.376 62.662 63.100 -0.103 0.000 0.787 182 P CB 0.717 32.367 31.700 -0.083 0.000 0.920 183 N N 2.417 120.950 118.700 -0.280 0.000 2.530 183 N HA 0.206 4.947 4.740 0.001 0.000 0.277 183 N C -0.031 175.152 175.510 -0.546 0.000 1.168 183 N CA -0.110 52.632 53.050 -0.513 0.000 0.979 183 N CB 1.029 38.954 38.487 -0.936 0.000 1.141 183 N HN 0.292 8.672 8.380 -0.000 0.000 0.459 184 R N 2.300 122.515 120.500 -0.475 0.000 2.587 184 R HA 0.218 4.558 4.340 0.001 0.000 0.283 184 R C -0.735 175.475 176.300 -0.150 0.000 1.472 184 R CA -0.452 55.498 56.100 -0.251 0.000 1.578 184 R CB 0.062 30.302 30.300 -0.101 0.000 1.130 184 R HN 0.472 8.742 8.270 -0.000 0.000 0.602 188 R N 2.566 123.086 120.500 0.032 0.000 2.893 188 R HA 0.298 4.639 4.340 0.001 0.000 0.243 188 R C -0.500 175.790 176.300 -0.016 0.000 1.481 188 R CA -0.095 56.002 56.100 -0.005 0.000 1.250 188 R CB -0.259 30.044 30.300 0.005 0.000 1.213 188 R HN 0.122 8.392 8.270 -0.000 0.000 0.609 189 V N -0.069 119.808 119.914 -0.061 0.000 3.040 189 V HA 0.693 4.814 4.120 0.001 0.000 0.312 189 V C -0.355 175.692 176.094 -0.078 0.000 1.115 189 V CA -1.092 61.170 62.300 -0.064 0.000 0.998 189 V CB 2.004 33.784 31.823 -0.071 0.000 1.042 189 V HN 0.325 8.515 8.190 -0.000 0.000 0.433 190 V N -0.376 119.511 119.914 -0.045 0.000 3.447 190 V HA -0.153 3.968 4.120 0.001 0.000 0.494 190 V C 0.419 176.516 176.094 0.005 0.000 0.682 190 V CA 0.608 62.900 62.300 -0.013 0.000 2.042 190 V CB -1.554 30.267 31.823 -0.003 0.000 2.480 190 V HN 1.383 9.573 8.190 -0.000 0.000 0.505 191 T N 5.114 119.682 114.554 0.023 0.000 2.934 191 T HA 0.186 4.536 4.350 0.001 0.000 0.306 191 T C 1.084 175.838 174.700 0.090 0.000 1.042 191 T CA 0.605 62.717 62.100 0.021 0.000 1.145 191 T CB 0.674 69.564 68.868 0.037 0.000 0.982 191 T HN 0.899 9.139 8.240 -0.000 0.000 0.544 192 L N 4.031 125.262 121.223 0.013 0.000 1.997 192 L HA -0.135 4.205 4.340 0.001 0.000 0.216 192 L C 1.867 178.885 176.870 0.247 0.000 1.074 192 L CA 2.042 56.935 54.840 0.090 0.000 0.763 192 L CB -0.715 41.386 42.059 0.069 0.000 0.890 192 L HN 0.783 9.013 8.230 -0.000 0.000 0.434 193 W N -1.217 120.086 121.300 0.004 0.000 2.424 193 W HA -0.161 4.500 4.660 0.001 0.000 0.264 193 W C 1.762 178.130 176.519 -0.253 0.000 1.229 193 W CA 0.682 57.929 57.345 -0.163 0.000 1.208 193 W CB -1.187 28.103 29.460 -0.283 0.000 1.127 193 W HN 0.321 8.501 8.180 -0.000 0.000 0.588 194 Y N -1.163 119.297 120.300 0.266 0.000 2.612 194 Y HA 0.274 4.825 4.550 0.001 0.000 0.250 194 Y C 1.146 177.222 175.900 0.294 0.000 1.175 194 Y CA -0.694 57.557 58.100 0.252 0.000 1.205 194 Y CB -0.130 38.412 38.460 0.136 0.000 1.201 194 Y HN -0.358 7.922 8.280 -0.000 0.000 0.532 195 R N 3.628 124.300 120.500 0.287 0.000 2.267 195 R HA 0.185 4.526 4.340 0.001 0.000 0.319 195 R C -2.623 173.544 176.300 -0.222 0.000 1.067 195 R CA -1.739 54.401 56.100 0.066 0.000 0.936 195 R CB 0.430 30.729 30.300 -0.002 0.000 1.006 195 R HN -0.022 8.248 8.270 -0.000 0.000 0.452 196 P HA 0.087 4.507 4.420 -0.000 0.000 0.272 196 P C -2.409 174.415 177.300 -0.794 0.000 1.230 196 P CA -1.334 60.980 63.100 -1.309 0.000 0.788 196 P CB 0.770 32.021 31.700 -0.748 0.000 0.949 197 P HA -0.218 4.202 4.420 -0.000 0.000 0.215 197 P C 1.692 178.921 177.300 -0.119 0.000 1.157 197 P CA 1.746 64.636 63.100 -0.350 0.000 0.874 197 P CB -0.262 31.306 31.700 -0.221 0.000 0.790 198 E N 0.328 120.482 120.200 -0.077 0.000 2.130 198 E HA -0.198 4.153 4.350 0.001 0.000 0.196 198 E C 1.974 178.496 176.600 -0.130 0.000 0.998 198 E CA 1.377 57.827 56.400 0.083 0.000 0.806 198 E CB -1.397 28.377 29.700 0.123 0.000 0.738 198 E HN 0.281 8.641 8.360 -0.000 0.000 0.459 199 L N 0.349 121.463 121.223 -0.181 0.000 2.072 199 L HA -0.079 4.262 4.340 0.001 0.000 0.205 199 L C 2.838 179.614 176.870 -0.157 0.000 1.079 199 L CA 0.698 55.427 54.840 -0.186 0.000 0.752 199 L CB -0.360 41.543 42.059 -0.260 0.000 0.906 199 L HN 0.085 8.315 8.230 -0.000 0.000 0.436 200 L N -0.395 120.730 121.223 -0.163 0.000 2.265 200 L HA -0.188 4.153 4.340 0.001 0.000 0.215 200 L C 2.011 178.798 176.870 -0.139 0.000 1.117 200 L CA 0.871 55.638 54.840 -0.121 0.000 0.782 200 L CB -0.242 41.755 42.059 -0.104 0.000 0.914 200 L HN 0.299 8.529 8.230 -0.000 0.000 0.441 201 L N -0.545 120.535 121.223 -0.238 0.000 2.612 201 L HA 0.169 4.510 4.340 0.001 0.000 0.230 201 L C 1.436 178.094 176.870 -0.352 0.000 1.140 201 L CA 0.524 55.136 54.840 -0.379 0.000 0.896 201 L CB -0.261 41.330 42.059 -0.779 0.000 1.065 201 L HN 0.473 8.703 8.230 -0.000 0.000 0.447 202 G N 0.077 108.773 108.800 -0.173 0.000 2.175 202 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 202 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 202 G C 0.249 175.201 174.900 0.086 0.000 0.982 202 G CA 0.063 45.149 45.100 -0.023 0.000 0.641 202 G HN 0.381 8.671 8.290 -0.000 0.000 0.527 203 E N 0.634 120.881 120.200 0.079 0.000 2.529 203 E HA 0.366 4.717 4.350 0.001 0.000 0.259 203 E C 1.416 178.215 176.600 0.331 0.000 0.966 203 E CA 0.455 57.040 56.400 0.308 0.000 0.937 203 E CB 0.176 30.079 29.700 0.338 0.000 0.923 203 E HN 0.447 8.807 8.360 -0.000 0.000 0.468 204 R N 2.841 123.516 120.500 0.291 0.000 2.509 204 R HA 0.091 4.432 4.340 0.001 0.000 0.297 204 R C -0.374 175.917 176.300 -0.015 0.000 0.951 204 R CA -0.048 56.198 56.100 0.243 0.000 1.103 204 R CB 0.666 31.036 30.300 0.115 0.000 1.283 204 R HN 0.380 8.650 8.270 -0.000 0.000 0.534 205 D N 1.081 121.496 120.400 0.024 0.000 2.683 205 D HA 0.087 4.728 4.640 0.001 0.000 0.309 205 D C -0.745 175.570 176.300 0.025 0.000 1.238 205 D CA -0.453 53.458 54.000 -0.149 0.000 0.936 205 D CB -0.122 40.622 40.800 -0.094 0.000 1.001 205 D HN 0.069 8.439 8.370 -0.000 0.000 0.505 206 Y N -0.959 119.432 120.300 0.152 0.000 2.545 206 Y HA 0.889 5.440 4.550 0.001 0.000 0.324 206 Y C 0.719 176.664 175.900 0.076 0.000 1.220 206 Y CA -1.014 57.150 58.100 0.107 0.000 1.290 206 Y CB 0.904 39.411 38.460 0.078 0.000 1.355 206 Y HN -0.011 8.269 8.280 -0.000 0.000 0.516 207 G N -1.134 107.740 108.800 0.123 0.000 2.947 207 G HA2 0.393 4.354 3.960 0.001 0.000 0.293 207 G HA3 0.393 4.354 3.960 0.001 0.000 0.293 207 G C -2.522 172.161 174.900 -0.362 0.000 1.243 207 G CA -1.487 43.475 45.100 -0.230 0.000 0.802 207 G HN 0.310 8.600 8.290 -0.000 0.000 0.560 208 P HA -0.062 4.358 4.420 -0.000 0.000 0.218 208 P C -1.515 175.572 177.300 -0.355 0.000 1.147 208 P CA 1.540 64.121 63.100 -0.864 0.000 0.827 208 P CB -0.354 30.735 31.700 -1.018 0.000 0.778 209 P HA -0.154 4.266 4.420 -0.000 0.000 0.219 209 P C 1.507 178.822 177.300 0.026 0.000 1.146 209 P CA 1.067 64.145 63.100 -0.037 0.000 0.808 209 P CB -0.781 30.899 31.700 -0.034 0.000 0.779 210 I N -3.460 117.106 120.570 -0.006 0.000 2.454 210 I HA -0.174 3.996 4.170 0.001 0.000 0.254 210 I C 1.274 177.451 176.117 0.099 0.000 1.156 210 I CA 1.843 63.149 61.300 0.010 0.000 1.433 210 I CB -0.677 37.269 38.000 -0.090 0.000 1.082 210 I HN -0.183 8.027 8.210 -0.000 0.000 0.432 211 D N 1.329 121.791 120.400 0.103 0.000 2.183 211 D HA 0.019 4.660 4.640 0.001 0.000 0.205 211 D C 2.228 178.619 176.300 0.151 0.000 0.962 211 D CA 1.111 55.199 54.000 0.148 0.000 0.849 211 D CB -0.044 40.920 40.800 0.274 0.000 0.978 211 D HN 0.372 8.742 8.370 -0.000 0.000 0.488 212 L N 0.391 121.714 121.223 0.167 0.000 2.217 212 L HA -0.064 4.277 4.340 0.001 0.000 0.211 212 L C 2.273 179.223 176.870 0.133 0.000 1.107 212 L CA 0.721 55.645 54.840 0.139 0.000 0.783 212 L CB -0.167 41.971 42.059 0.132 0.000 0.919 212 L HN 0.219 8.449 8.230 -0.000 0.000 0.442 213 W N 0.840 122.140 121.300 0.000 0.000 2.355 213 W HA -0.169 4.491 4.660 0.001 0.000 0.309 213 W C 2.013 178.549 176.519 0.028 0.000 1.206 213 W CA 1.745 59.085 57.345 -0.007 0.000 1.284 213 W CB -0.540 28.905 29.460 -0.025 0.000 1.145 213 W HN 0.245 8.425 8.180 -0.000 0.000 0.502 214 G N 0.720 109.658 108.800 0.229 0.000 2.442 214 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 214 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 214 G C 1.706 176.626 174.900 0.034 0.000 1.141 214 G CA 1.823 47.022 45.100 0.164 0.000 0.763 214 G HN 0.401 8.691 8.290 -0.000 0.000 0.554 215 A N 0.632 123.451 122.820 -0.001 0.000 2.015 215 A HA 0.211 4.531 4.320 0.001 0.000 0.219 215 A C 2.619 180.161 177.584 -0.070 0.000 1.163 215 A CA 1.948 53.969 52.037 -0.027 0.000 0.646 215 A CB -0.744 18.261 19.000 0.008 0.000 0.806 215 A HN 0.493 8.643 8.150 -0.000 0.000 0.448 216 G N -0.873 107.840 108.800 -0.146 0.000 2.394 216 G HA2 -0.198 3.763 3.960 0.001 0.000 0.214 216 G HA3 -0.198 3.763 3.960 0.001 0.000 0.214 216 G C 1.572 176.309 174.900 -0.272 0.000 1.176 216 G CA 1.209 46.159 45.100 -0.249 0.000 0.786 216 G HN 0.503 8.793 8.290 -0.000 0.000 0.533 217 C N 0.504 119.617 119.300 -0.312 0.000 2.413 217 C HA 0.014 4.475 4.460 0.001 0.000 0.276 217 C C 2.824 177.776 174.990 -0.063 0.000 1.248 217 C CA 0.452 59.331 59.018 -0.233 0.000 1.742 217 C CB -0.987 26.647 27.740 -0.176 0.000 2.017 217 C HN 0.457 8.687 8.230 -0.000 0.000 0.481 218 I N 0.174 120.767 120.570 0.039 0.000 2.252 218 I HA -0.268 3.903 4.170 0.001 0.000 0.245 218 I C 2.677 178.759 176.117 -0.059 0.000 1.102 218 I CA 1.553 62.873 61.300 0.033 0.000 1.385 218 I CB -0.438 37.557 38.000 -0.009 0.000 1.064 218 I HN 0.393 8.603 8.210 -0.000 0.000 0.414 219 M N 0.615 120.174 119.600 -0.068 0.000 2.117 219 M HA -0.230 4.251 4.480 0.001 0.000 0.262 219 M C 2.457 178.782 176.300 0.042 0.000 1.065 219 M CA 2.154 57.425 55.300 -0.049 0.000 1.114 219 M CB -0.129 32.444 32.600 -0.044 0.000 1.361 219 M HN 0.285 8.575 8.290 -0.000 0.000 0.408 220 A N 0.457 123.273 122.820 -0.007 0.000 1.883 220 A HA -0.235 4.085 4.320 0.001 0.000 0.217 220 A C 1.783 179.382 177.584 0.026 0.000 1.186 220 A CA 2.137 54.184 52.037 0.016 0.000 0.624 220 A CB -0.991 17.926 19.000 -0.140 0.000 0.822 220 A HN 0.698 8.848 8.150 -0.000 0.000 0.444 221 E N -0.662 119.500 120.200 -0.064 0.000 2.267 221 E HA -0.188 4.163 4.350 0.001 0.000 0.197 221 E C 1.792 178.304 176.600 -0.147 0.000 0.998 221 E CA 1.046 57.393 56.400 -0.088 0.000 0.830 221 E CB -0.274 29.389 29.700 -0.062 0.000 0.751 221 E HN 0.491 8.851 8.360 -0.000 0.000 0.491 222 M N -0.793 118.653 119.600 -0.256 0.000 2.267 222 M HA -0.166 4.314 4.480 0.001 0.000 0.263 222 M C 1.550 177.505 176.300 -0.575 0.000 1.063 222 M CA 1.304 56.247 55.300 -0.594 0.000 1.090 222 M CB -0.579 31.471 32.600 -0.917 0.000 1.392 222 M HN 0.359 8.649 8.290 -0.000 0.000 0.422 223 W N -0.103 121.135 121.300 -0.104 0.000 2.780 223 W HA 0.033 4.694 4.660 0.001 0.000 0.272 223 W C 2.483 179.027 176.519 0.042 0.000 1.116 223 W CA 1.449 58.790 57.345 -0.006 0.000 1.600 223 W CB -1.095 28.379 29.460 0.023 0.000 1.086 223 W HN 0.322 8.502 8.180 -0.000 0.000 0.584 224 T N -0.995 113.640 114.554 0.136 0.000 2.833 224 T HA -0.134 4.217 4.350 0.001 0.000 0.269 224 T C 1.218 175.937 174.700 0.032 0.000 1.054 224 T CA 1.117 63.190 62.100 -0.044 0.000 1.135 224 T CB -0.121 68.514 68.868 -0.388 0.000 0.869 224 T HN -0.015 8.225 8.240 -0.000 0.000 0.466 225 R N 0.514 121.014 120.500 0.000 0.000 3.892 225 R HA -0.124 4.216 4.340 0.001 0.000 0.441 225 R C -0.056 176.244 176.300 0.000 0.000 1.052 225 R CA 1.101 57.205 56.100 0.007 0.000 1.190 225 R CB -2.881 27.453 30.300 0.056 0.000 1.808 225 R HN 0.890 9.160 8.270 -0.000 0.000 0.538 226 S N -2.309 113.371 115.700 -0.034 0.000 2.552 226 S HA 0.578 5.049 4.470 0.001 0.000 0.272 226 S C -3.160 171.384 174.600 -0.092 0.000 1.150 226 S CA -1.520 56.662 58.200 -0.030 0.000 0.849 226 S CB 3.192 66.374 63.200 -0.029 0.000 1.113 226 S HN -0.188 8.122 8.310 -0.000 0.000 0.458 227 P HA 0.085 4.505 4.420 -0.000 0.000 0.259 227 P C 1.062 178.169 177.300 -0.323 0.000 1.163 227 P CA -0.011 62.971 63.100 -0.196 0.000 0.760 227 P CB 0.030 31.656 31.700 -0.123 0.000 0.762 228 I N 0.152 120.527 120.570 -0.324 0.000 2.761 228 I HA 0.081 4.252 4.170 0.001 0.000 0.261 228 I C 0.500 176.414 176.117 -0.338 0.000 1.198 228 I CA 1.229 62.338 61.300 -0.319 0.000 1.482 228 I CB -0.220 37.606 38.000 -0.289 0.000 1.100 228 I HN 0.163 8.373 8.210 -0.000 0.000 0.445 229 M N 2.258 121.618 119.600 -0.400 0.000 1.980 229 M HA 0.354 4.834 4.480 0.001 0.000 0.282 229 M C -1.051 174.850 176.300 -0.666 0.000 0.878 229 M CA -0.001 55.060 55.300 -0.398 0.000 0.900 229 M CB 1.804 34.274 32.600 -0.216 0.000 1.577 229 M HN 0.116 8.406 8.290 -0.000 0.000 0.396 230 Q N 1.892 121.125 119.800 -0.946 0.000 2.963 230 Q HA 0.325 4.665 4.340 0.001 0.000 0.262 230 Q C 0.673 176.171 176.000 -0.837 0.000 1.318 230 Q CA -0.538 54.223 55.803 -1.736 0.000 1.089 230 Q CB 0.849 28.542 28.738 -1.740 0.000 1.424 230 Q HN 0.799 9.069 8.270 -0.000 0.000 0.560 231 G N 0.885 109.394 108.800 -0.486 0.000 2.491 231 G HA2 -0.042 3.919 3.960 0.001 0.000 0.242 231 G HA3 -0.042 3.919 3.960 0.001 0.000 0.242 231 G C 0.226 175.205 174.900 0.131 0.000 1.266 231 G CA -0.346 44.516 45.100 -0.397 0.000 0.844 231 G HN 0.543 8.833 8.290 -0.000 0.000 0.571 232 N N -1.136 117.755 118.700 0.317 0.000 2.395 232 N HA 0.113 4.854 4.740 0.001 0.000 0.175 232 N C 0.937 176.589 175.510 0.238 0.000 1.029 232 N CA 1.100 54.364 53.050 0.357 0.000 0.897 232 N CB 0.459 39.166 38.487 0.367 0.000 0.991 232 N HN 0.692 9.072 8.380 -0.000 0.000 0.441 233 T N -3.518 111.174 114.554 0.230 0.000 2.787 233 T HA 0.289 4.639 4.350 0.001 0.000 0.297 233 T C 0.310 175.081 174.700 0.119 0.000 1.221 233 T CA -0.793 61.392 62.100 0.142 0.000 1.006 233 T CB 1.709 70.645 68.868 0.114 0.000 1.328 233 T HN -0.157 8.083 8.240 -0.000 0.000 0.509 234 E N -0.022 120.221 120.200 0.072 0.000 2.077 234 E HA -0.209 4.141 4.350 0.001 0.000 0.193 234 E C 2.017 178.648 176.600 0.051 0.000 0.989 234 E CA 1.351 57.779 56.400 0.046 0.000 0.800 234 E CB -0.040 29.672 29.700 0.019 0.000 0.746 234 E HN 0.726 9.086 8.360 -0.000 0.000 0.452 235 Q N 0.075 119.912 119.800 0.062 0.000 2.119 235 Q HA -0.213 4.127 4.340 0.001 0.000 0.201 235 Q C 2.041 178.110 176.000 0.115 0.000 0.972 235 Q CA 1.377 57.216 55.803 0.060 0.000 0.847 235 Q CB -0.068 28.695 28.738 0.041 0.000 0.903 235 Q HN 0.456 8.726 8.270 -0.000 0.000 0.433 236 H N -1.012 118.068 119.070 0.016 0.000 2.363 236 H HA -0.116 4.440 4.556 0.001 0.000 0.301 236 H C 2.075 177.414 175.328 0.019 0.000 1.074 236 H CA 1.108 57.165 56.048 0.015 0.000 1.354 236 H CB 0.432 30.209 29.762 0.024 0.000 1.397 236 H HN 0.227 8.507 8.280 -0.000 0.000 0.516 237 Q N 1.064 120.872 119.800 0.013 0.000 2.096 237 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 237 Q C 2.405 178.400 176.000 -0.009 0.000 0.982 237 Q CA 1.404 57.176 55.803 -0.051 0.000 0.850 237 Q CB -0.311 28.440 28.738 0.022 0.000 0.901 237 Q HN 0.547 8.817 8.270 -0.000 0.000 0.422 238 L N -0.474 120.761 121.223 0.021 0.000 2.093 238 L HA -0.139 4.202 4.340 0.001 0.000 0.208 238 L C 2.313 179.208 176.870 0.042 0.000 1.085 238 L CA 0.978 55.832 54.840 0.024 0.000 0.755 238 L CB -0.672 41.397 42.059 0.017 0.000 0.904 238 L HN 0.280 8.510 8.230 -0.000 0.000 0.435 239 A N 0.345 123.203 122.820 0.064 0.000 1.865 239 A HA -0.199 4.122 4.320 0.001 0.000 0.217 239 A C 2.212 179.831 177.584 0.059 0.000 1.191 239 A CA 1.674 53.759 52.037 0.080 0.000 0.623 239 A CB -0.844 18.249 19.000 0.156 0.000 0.826 239 A HN 0.368 8.518 8.150 -0.000 0.000 0.444 240 L N -0.750 120.489 121.223 0.026 0.000 2.131 240 L HA -0.150 4.191 4.340 0.001 0.000 0.210 240 L C 2.400 179.278 176.870 0.014 0.000 1.092 240 L CA 0.980 55.810 54.840 -0.017 0.000 0.759 240 L CB -0.505 41.479 42.059 -0.126 0.000 0.903 240 L HN 0.370 8.600 8.230 -0.000 0.000 0.435 241 I N -0.931 119.669 120.570 0.051 0.000 2.353 241 I HA -0.221 3.949 4.170 0.001 0.000 0.248 241 I C 2.527 178.709 176.117 0.108 0.000 1.119 241 I CA 0.952 62.325 61.300 0.122 0.000 1.417 241 I CB -0.134 37.952 38.000 0.143 0.000 1.078 241 I HN 0.149 8.359 8.210 -0.000 0.000 0.421 242 S N 0.182 115.930 115.700 0.080 0.000 2.368 242 S HA -0.213 4.258 4.470 0.001 0.000 0.224 242 S C 1.934 176.568 174.600 0.058 0.000 1.029 242 S CA 1.155 59.401 58.200 0.077 0.000 0.988 242 S CB -0.299 62.939 63.200 0.063 0.000 0.838 242 S HN 0.456 8.766 8.310 -0.000 0.000 0.462 243 Q N 0.044 119.869 119.800 0.042 0.000 2.170 243 Q HA -0.058 4.283 4.340 0.001 0.000 0.203 243 Q C 2.122 178.132 176.000 0.016 0.000 0.976 243 Q CA 1.133 56.951 55.803 0.025 0.000 0.858 243 Q CB -0.166 28.583 28.738 0.017 0.000 0.907 243 Q HN 0.410 8.680 8.270 -0.000 0.000 0.433 244 L N -1.634 119.600 121.223 0.019 0.000 2.316 244 L HA 0.066 4.407 4.340 0.001 0.000 0.207 244 L C 1.607 178.489 176.870 0.019 0.000 1.070 244 L CA 1.152 55.993 54.840 0.001 0.000 0.820 244 L CB 0.194 42.237 42.059 -0.027 0.000 0.992 244 L HN 0.112 8.342 8.230 -0.000 0.000 0.466 245 C N 0.832 120.170 119.300 0.064 0.000 2.735 245 C HA 0.728 5.188 4.460 0.001 0.000 0.271 245 C C 1.105 176.144 174.990 0.082 0.000 1.281 245 C CA 0.037 59.107 59.018 0.085 0.000 1.719 245 C CB -1.302 26.543 27.740 0.175 0.000 2.024 245 C HN 0.770 9.000 8.230 -0.000 0.000 0.566 246 G N 0.472 109.318 108.800 0.078 0.000 2.697 246 G HA2 0.056 4.017 3.960 0.001 0.000 0.684 246 G HA3 0.056 4.017 3.960 0.001 0.000 0.684 246 G C -0.522 174.435 174.900 0.095 0.000 1.274 246 G CA -0.641 44.504 45.100 0.075 0.000 0.806 246 G HN 0.157 8.447 8.290 -0.000 0.000 0.644 247 S N -0.318 115.432 115.700 0.084 0.000 2.558 247 S HA 0.179 4.650 4.470 0.001 0.000 0.287 247 S C 1.204 175.887 174.600 0.137 0.000 1.321 247 S CA 0.222 58.478 58.200 0.094 0.000 1.048 247 S CB 0.215 63.459 63.200 0.073 0.000 0.844 247 S HN 0.577 8.887 8.310 -0.000 0.000 0.512 248 I N 3.504 124.173 120.570 0.165 0.000 2.278 248 I HA 0.182 4.353 4.170 0.001 0.000 0.296 248 I C 0.768 177.032 176.117 0.247 0.000 1.121 248 I CA -0.167 61.275 61.300 0.236 0.000 1.267 248 I CB -0.133 38.019 38.000 0.254 0.000 1.447 248 I HN 0.574 8.784 8.210 -0.000 0.000 0.509 249 T N 2.376 117.052 114.554 0.204 0.000 2.916 249 T HA 0.447 4.797 4.350 0.001 0.000 0.292 249 T C -2.338 172.418 174.700 0.095 0.000 1.055 249 T CA -2.167 60.036 62.100 0.172 0.000 1.009 249 T CB 2.215 71.165 68.868 0.136 0.000 1.118 249 T HN 0.069 8.309 8.240 -0.000 0.000 0.497 250 P HA 0.076 4.496 4.420 -0.000 0.000 0.231 250 P C 1.017 178.348 177.300 0.051 0.000 1.158 250 P CA 0.531 63.614 63.100 -0.027 0.000 0.763 250 P CB 0.188 31.853 31.700 -0.058 0.000 0.805 251 E N -0.673 119.574 120.200 0.078 0.000 2.112 251 E HA -0.079 4.271 4.350 0.001 0.000 0.190 251 E C 1.570 178.230 176.600 0.100 0.000 0.979 251 E CA 0.699 57.145 56.400 0.077 0.000 0.814 251 E CB -0.128 29.614 29.700 0.070 0.000 0.762 251 E HN 0.005 8.365 8.360 -0.000 0.000 0.460 252 V N -0.216 119.782 119.914 0.139 0.000 3.644 252 V HA 0.070 4.191 4.120 0.001 0.000 0.267 252 V C -0.687 175.546 176.094 0.232 0.000 1.277 252 V CA 0.179 62.570 62.300 0.152 0.000 1.096 252 V CB 0.529 32.439 31.823 0.144 0.000 0.828 252 V HN 0.382 8.572 8.190 -0.000 0.000 0.446 253 W N 4.480 125.787 121.300 0.012 0.000 2.237 253 W HA 0.491 5.152 4.660 0.001 0.000 0.289 253 W C -2.960 173.540 176.519 -0.031 0.000 0.988 253 W CA -3.255 54.090 57.345 0.000 0.000 1.671 253 W CB 0.670 30.134 29.460 0.005 0.000 1.746 253 W HN 0.120 8.300 8.180 -0.000 0.000 0.380 254 P HA -0.131 4.289 4.420 -0.000 0.000 0.260 254 P C 0.333 177.655 177.300 0.036 0.000 1.172 254 P CA 1.358 64.524 63.100 0.109 0.000 0.760 254 P CB 0.382 32.139 31.700 0.095 0.000 0.773 255 N N 0.454 119.091 118.700 -0.106 0.000 2.925 255 N HA -0.178 4.563 4.740 0.001 0.000 0.244 255 N C 0.755 176.005 175.510 -0.433 0.000 1.000 255 N CA 0.261 53.186 53.050 -0.209 0.000 0.895 255 N CB -0.953 37.452 38.487 -0.137 0.000 1.119 255 N HN 0.265 8.645 8.380 -0.000 0.000 0.569 256 V N 0.375 119.907 119.914 -0.636 0.000 3.026 256 V HA -0.184 3.936 4.120 0.001 0.000 0.265 256 V C 1.698 177.197 176.094 -0.992 0.000 1.121 256 V CA 2.166 63.830 62.300 -1.061 0.000 1.142 256 V CB -0.179 30.740 31.823 -1.508 0.000 0.730 256 V HN 0.291 8.481 8.190 -0.000 0.000 0.503 257 D N 0.794 120.734 120.400 -0.767 0.000 2.092 257 D HA -0.216 4.425 4.640 0.001 0.000 0.193 257 D C 1.751 177.898 176.300 -0.254 0.000 0.994 257 D CA 1.986 55.689 54.000 -0.495 0.000 0.828 257 D CB -0.351 40.324 40.800 -0.209 0.000 0.963 257 D HN 0.537 8.907 8.370 -0.000 0.000 0.450 258 N N -0.202 118.321 118.700 -0.296 0.000 2.258 258 N HA -0.156 4.584 4.740 0.001 0.000 0.187 258 N C 0.055 175.458 175.510 -0.179 0.000 1.012 258 N CA 0.428 53.340 53.050 -0.229 0.000 0.870 258 N CB -0.437 37.880 38.487 -0.282 0.000 0.977 258 N HN 0.254 8.634 8.380 -0.000 0.000 0.434 259 Y N 1.371 121.575 120.300 -0.161 0.000 2.810 259 Y HA -0.107 4.444 4.550 0.001 0.000 0.332 259 Y C 1.709 177.606 175.900 -0.005 0.000 1.243 259 Y CA 0.001 58.048 58.100 -0.089 0.000 1.537 259 Y CB 0.279 38.654 38.460 -0.141 0.000 1.265 259 Y HN 0.026 8.306 8.280 -0.000 0.000 0.572 260 E N 2.272 122.577 120.200 0.174 0.000 2.049 260 E HA -0.190 4.160 4.350 0.001 0.000 0.198 260 E C 1.548 178.212 176.600 0.106 0.000 1.007 260 E CA 1.587 58.051 56.400 0.105 0.000 0.809 260 E CB -0.215 29.532 29.700 0.079 0.000 0.749 260 E HN 0.764 9.124 8.360 -0.000 0.000 0.450 261 L N 0.170 121.457 121.223 0.106 0.000 2.622 261 L HA -0.090 4.251 4.340 0.001 0.000 0.233 261 L C 1.776 178.694 176.870 0.080 0.000 1.156 261 L CA 0.209 55.085 54.840 0.059 0.000 0.866 261 L CB -0.422 41.647 42.059 0.016 0.000 0.980 261 L HN 0.225 8.455 8.230 -0.000 0.000 0.448 262 Y N 1.120 121.416 120.300 -0.008 0.000 2.224 262 Y HA -0.249 4.301 4.550 0.001 0.000 0.289 262 Y C 2.583 178.461 175.900 -0.036 0.000 1.146 262 Y CA 1.675 59.753 58.100 -0.038 0.000 1.182 262 Y CB 0.091 38.534 38.460 -0.028 0.000 0.983 262 Y HN 0.209 8.489 8.280 -0.000 0.000 0.524 263 E N 0.687 120.858 120.200 -0.049 0.000 2.038 263 E HA -0.110 4.241 4.350 0.001 0.000 0.190 263 E C 1.352 177.890 176.600 -0.102 0.000 0.967 263 E CA 0.788 57.115 56.400 -0.123 0.000 0.816 263 E CB -0.160 29.520 29.700 -0.033 0.000 0.784 263 E HN 0.407 8.767 8.360 -0.000 0.000 0.456 264 K N 0.589 120.962 120.400 -0.045 0.000 2.699 264 K HA 0.009 4.329 4.320 0.001 0.000 0.197 264 K C 0.103 176.676 176.600 -0.044 0.000 1.017 264 K CA 0.246 56.511 56.287 -0.036 0.000 1.006 264 K CB -0.250 32.242 32.500 -0.013 0.000 0.819 264 K HN 0.104 8.354 8.250 -0.000 0.000 0.493 265 L N 1.063 122.243 121.223 -0.073 0.000 2.410 265 L HA 0.174 4.514 4.340 0.001 0.000 0.270 265 L C 0.095 176.913 176.870 -0.086 0.000 0.983 265 L CA -0.988 53.812 54.840 -0.066 0.000 0.822 265 L CB 1.908 43.934 42.059 -0.056 0.000 1.285 265 L HN 0.086 8.316 8.230 -0.000 0.000 0.409 266 E N 4.806 124.972 120.200 -0.057 0.000 2.480 266 E HA 0.089 4.439 4.350 0.001 0.000 0.258 266 E C -1.581 174.984 176.600 -0.059 0.000 0.984 266 E CA 0.440 56.808 56.400 -0.055 0.000 0.930 266 E CB 0.744 30.425 29.700 -0.032 0.000 0.936 266 E HN 0.517 8.877 8.360 -0.000 0.000 0.466 267 L N 6.289 127.466 121.223 -0.077 0.000 2.568 267 L HA 0.165 4.506 4.340 0.001 0.000 0.262 267 L C -0.307 176.534 176.870 -0.049 0.000 0.980 267 L CA -0.711 54.088 54.840 -0.068 0.000 0.882 267 L CB 1.820 43.800 42.059 -0.132 0.000 1.198 267 L HN 0.428 8.658 8.230 -0.000 0.000 0.425 268 V N 4.046 123.951 119.914 -0.016 0.000 2.644 268 V HA -0.102 4.018 4.120 0.001 0.000 0.305 268 V C 1.002 177.098 176.094 0.003 0.000 1.053 268 V CA 0.959 63.257 62.300 -0.005 0.000 1.186 268 V CB 1.314 33.143 31.823 0.010 0.000 0.895 268 V HN 0.885 9.075 8.190 -0.000 0.000 0.490 269 K N 4.989 125.389 120.400 -0.000 0.000 2.354 269 K HA 0.340 4.660 4.320 0.001 0.000 0.194 269 K C 1.551 178.164 176.600 0.023 0.000 1.045 269 K CA 1.244 57.538 56.287 0.011 0.000 1.026 269 K CB 0.099 32.597 32.500 -0.002 0.000 0.866 269 K HN 0.783 9.033 8.250 -0.000 0.000 0.530 270 G N 0.385 109.195 108.800 0.018 0.000 3.189 270 G HA2 0.003 3.964 3.960 0.001 0.000 0.225 270 G HA3 0.003 3.964 3.960 0.001 0.000 0.225 270 G C -0.249 174.666 174.900 0.024 0.000 1.159 270 G CA -0.337 44.775 45.100 0.020 0.000 0.763 270 G HN 0.138 8.428 8.290 -0.000 0.000 0.549 271 Q N 1.004 120.822 119.800 0.030 0.000 2.337 271 Q HA 0.207 4.547 4.340 0.001 0.000 0.270 271 Q C -0.306 175.716 176.000 0.037 0.000 1.002 271 Q CA 0.672 56.494 55.803 0.032 0.000 0.888 271 Q CB 1.156 29.918 28.738 0.039 0.000 1.222 271 Q HN 0.307 8.577 8.270 -0.000 0.000 0.400 272 K N 1.699 122.117 120.400 0.029 0.000 2.156 272 K HA 0.360 4.681 4.320 0.001 0.000 0.254 272 K C -0.147 176.469 176.600 0.027 0.000 0.950 272 K CA -0.853 55.451 56.287 0.029 0.000 0.849 272 K CB 1.881 34.393 32.500 0.020 0.000 1.100 272 K HN 0.349 8.599 8.250 -0.000 0.000 0.434 273 R N 2.214 122.733 120.500 0.030 0.000 2.446 273 R HA -0.038 4.303 4.340 0.001 0.000 0.314 273 R C -0.338 175.966 176.300 0.007 0.000 1.003 273 R CA 0.644 56.758 56.100 0.025 0.000 1.018 273 R CB 0.259 30.576 30.300 0.028 0.000 0.945 273 R HN 0.547 8.817 8.270 -0.000 0.000 0.419 274 K N 3.145 123.544 120.400 -0.001 0.000 2.478 274 K HA 0.082 4.402 4.320 0.001 0.000 0.205 274 K C 1.288 177.868 176.600 -0.033 0.000 1.033 274 K CA -0.272 56.006 56.287 -0.015 0.000 1.091 274 K CB 0.940 33.433 32.500 -0.011 0.000 0.844 274 K HN 0.310 8.560 8.250 -0.000 0.000 0.507 275 V N 1.956 121.846 119.914 -0.040 0.000 2.231 275 V HA -0.359 3.762 4.120 0.001 0.000 0.250 275 V C 2.033 178.075 176.094 -0.086 0.000 1.058 275 V CA 1.921 64.178 62.300 -0.072 0.000 1.022 275 V CB -0.259 31.517 31.823 -0.079 0.000 0.640 275 V HN 0.363 8.553 8.190 -0.000 0.000 0.445 276 K N -0.678 119.676 120.400 -0.077 0.000 2.155 276 K HA -0.124 4.197 4.320 0.001 0.000 0.203 276 K C 1.901 178.458 176.600 -0.071 0.000 1.052 276 K CA 1.314 57.547 56.287 -0.089 0.000 0.948 276 K CB -0.254 32.196 32.500 -0.083 0.000 0.728 276 K HN 0.528 8.778 8.250 -0.000 0.000 0.448 277 D N 0.865 121.236 120.400 -0.050 0.000 2.084 277 D HA -0.124 4.517 4.640 0.001 0.000 0.196 277 D C 1.961 178.250 176.300 -0.019 0.000 0.985 277 D CA 1.148 55.127 54.000 -0.034 0.000 0.826 277 D CB -0.071 40.714 40.800 -0.025 0.000 0.978 277 D HN 0.138 8.508 8.370 -0.000 0.000 0.456 278 R N 0.233 120.721 120.500 -0.019 0.000 2.105 278 R HA -0.040 4.301 4.340 0.001 0.000 0.239 278 R C 2.359 178.687 176.300 0.047 0.000 1.135 278 R CA 0.679 56.782 56.100 0.006 0.000 0.967 278 R CB -0.171 30.110 30.300 -0.031 0.000 0.861 278 R HN 0.236 8.506 8.270 -0.000 0.000 0.442 279 L N 0.206 121.418 121.223 -0.017 0.000 2.529 279 L HA 0.031 4.372 4.340 0.001 0.000 0.223 279 L C 2.304 179.189 176.870 0.024 0.000 1.113 279 L CA 0.220 55.054 54.840 -0.009 0.000 0.861 279 L CB -0.239 41.733 42.059 -0.146 0.000 1.012 279 L HN 0.125 8.355 8.230 -0.000 0.000 0.461 280 K N 1.496 121.883 120.400 -0.022 0.000 2.015 280 K HA -0.310 4.010 4.320 0.001 0.000 0.220 280 K C 2.126 178.691 176.600 -0.058 0.000 1.055 280 K CA 2.232 58.481 56.287 -0.063 0.000 0.951 280 K CB -0.202 32.266 32.500 -0.054 0.000 0.725 280 K HN 0.270 8.520 8.250 -0.000 0.000 0.449 281 A N 0.038 122.834 122.820 -0.040 0.000 1.948 281 A HA -0.200 4.121 4.320 0.001 0.000 0.220 281 A C 1.993 179.468 177.584 -0.182 0.000 1.177 281 A CA 1.822 53.772 52.037 -0.144 0.000 0.636 281 A CB -0.861 17.991 19.000 -0.248 0.000 0.815 281 A HN 0.524 8.674 8.150 -0.000 0.000 0.449 282 Y N -0.877 119.373 120.300 -0.084 0.000 2.153 282 Y HA -0.055 4.495 4.550 0.001 0.000 0.289 282 Y C 2.633 178.430 175.900 -0.171 0.000 1.119 282 Y CA 1.306 59.376 58.100 -0.050 0.000 1.116 282 Y CB -0.776 37.681 38.460 -0.004 0.000 1.004 282 Y HN 0.064 8.344 8.280 -0.000 0.000 0.501 283 V N -0.698 119.064 119.914 -0.254 0.000 2.239 283 V HA -0.201 3.920 4.120 0.001 0.000 0.242 283 V C 1.609 177.385 176.094 -0.529 0.000 1.038 283 V CA 2.261 64.031 62.300 -0.882 0.000 1.002 283 V CB -0.504 30.715 31.823 -1.008 0.000 0.641 283 V HN 0.459 8.649 8.190 -0.000 0.000 0.449 284 R N -1.152 119.159 120.500 -0.315 0.000 1.177 284 R HA -0.196 4.145 4.340 0.001 0.000 0.012 284 R C 0.868 177.064 176.300 -0.173 0.000 0.961 284 R CA 1.430 57.420 56.100 -0.183 0.000 1.988 284 R CB -1.748 28.492 30.300 -0.101 0.000 0.116 284 R HN 0.583 8.853 8.270 -0.000 0.000 0.732 285 D N 3.467 123.776 120.400 -0.152 0.000 2.472 285 D HA 0.007 4.647 4.640 0.001 0.000 0.248 285 D C -1.634 174.581 176.300 -0.142 0.000 1.174 285 D CA -0.829 53.126 54.000 -0.075 0.000 0.883 285 D CB 1.019 41.867 40.800 0.080 0.000 1.149 285 D HN 0.075 8.445 8.370 -0.000 0.000 0.488 286 P HA -0.158 4.262 4.420 -0.000 0.000 0.216 286 P C 0.810 178.016 177.300 -0.158 0.000 1.150 286 P CA 1.135 64.096 63.100 -0.230 0.000 0.837 286 P CB -0.003 31.501 31.700 -0.326 0.000 0.786 287 Y N 0.005 120.350 120.300 0.076 0.000 2.181 287 Y HA -0.110 4.441 4.550 0.001 0.000 0.288 287 Y C 2.634 178.546 175.900 0.020 0.000 1.146 287 Y CA 1.047 59.266 58.100 0.198 0.000 1.164 287 Y CB -1.707 36.947 38.460 0.324 0.000 0.982 287 Y HN -0.098 8.182 8.280 -0.000 0.000 0.515 288 A N -0.043 122.804 122.820 0.044 0.000 1.933 288 A HA -0.152 4.169 4.320 0.001 0.000 0.218 288 A C 2.262 179.535 177.584 -0.518 0.000 1.175 288 A CA 1.605 53.313 52.037 -0.548 0.000 0.628 288 A CB -1.094 17.623 19.000 -0.472 0.000 0.814 288 A HN 0.486 8.636 8.150 -0.000 0.000 0.444 289 L N -0.891 120.115 121.223 -0.362 0.000 2.156 289 L HA -0.130 4.211 4.340 0.001 0.000 0.208 289 L C 2.293 179.041 176.870 -0.203 0.000 1.095 289 L CA 1.413 56.070 54.840 -0.305 0.000 0.770 289 L CB -0.345 41.565 42.059 -0.248 0.000 0.914 289 L HN 0.436 8.666 8.230 -0.000 0.000 0.439 290 D N 0.095 120.423 120.400 -0.119 0.000 2.103 290 D HA -0.201 4.440 4.640 0.001 0.000 0.199 290 D C 2.068 178.307 176.300 -0.103 0.000 0.978 290 D CA 0.911 54.904 54.000 -0.011 0.000 0.829 290 D CB 0.091 41.007 40.800 0.194 0.000 0.981 290 D HN 0.054 8.424 8.370 -0.000 0.000 0.464 291 L N 0.599 121.604 121.223 -0.363 0.000 2.012 291 L HA -0.075 4.265 4.340 0.001 0.000 0.210 291 L C 2.197 178.888 176.870 -0.298 0.000 1.073 291 L CA 1.558 56.079 54.840 -0.532 0.000 0.748 291 L CB -0.708 40.868 42.059 -0.805 0.000 0.891 291 L HN 0.193 8.423 8.230 -0.000 0.000 0.431 292 I N -0.419 119.966 120.570 -0.307 0.000 2.208 292 I HA -0.303 3.868 4.170 0.001 0.000 0.245 292 I C 2.207 178.205 176.117 -0.197 0.000 1.097 292 I CA 1.636 62.789 61.300 -0.245 0.000 1.363 292 I CB -0.486 37.361 38.000 -0.254 0.000 1.051 292 I HN 0.352 8.562 8.210 -0.000 0.000 0.413 293 D N 1.108 121.412 120.400 -0.160 0.000 2.117 293 D HA -0.181 4.460 4.640 0.001 0.000 0.197 293 D C 2.121 178.382 176.300 -0.065 0.000 0.987 293 D CA 1.448 55.386 54.000 -0.103 0.000 0.829 293 D CB 0.074 40.832 40.800 -0.071 0.000 0.961 293 D HN 0.213 8.583 8.370 -0.000 0.000 0.460 294 K N -0.545 119.825 120.400 -0.050 0.000 2.228 294 K HA 0.031 4.352 4.320 0.001 0.000 0.202 294 K C 2.141 178.733 176.600 -0.014 0.000 1.051 294 K CA 0.370 56.655 56.287 -0.003 0.000 0.960 294 K CB 0.149 32.677 32.500 0.047 0.000 0.743 294 K HN 0.224 8.474 8.250 -0.000 0.000 0.458 295 L N 0.574 121.756 121.223 -0.068 0.000 2.240 295 L HA -0.025 4.316 4.340 0.001 0.000 0.211 295 L C 1.117 177.912 176.870 -0.126 0.000 1.106 295 L CA 0.611 55.406 54.840 -0.076 0.000 0.793 295 L CB 0.057 42.041 42.059 -0.124 0.000 0.927 295 L HN 0.089 8.319 8.230 -0.000 0.000 0.446 296 L N 0.811 121.916 121.223 -0.198 0.000 2.923 296 L HA 0.231 4.572 4.340 0.001 0.000 0.231 296 L C -0.638 176.269 176.870 0.061 0.000 1.300 296 L CA -0.433 54.224 54.840 -0.306 0.000 1.184 296 L CB 0.301 42.082 42.059 -0.463 0.000 1.511 296 L HN -0.110 8.120 8.230 -0.000 0.000 0.448 297 V N 0.942 120.960 119.914 0.174 0.000 2.427 297 V HA 0.176 4.296 4.120 0.001 0.000 0.286 297 V C 1.322 177.504 176.094 0.147 0.000 1.034 297 V CA -0.413 61.965 62.300 0.130 0.000 0.893 297 V CB 2.139 33.987 31.823 0.041 0.000 0.982 297 V HN 0.481 8.671 8.190 -0.000 0.000 0.452 298 L N 2.029 123.280 121.223 0.047 0.000 1.989 298 L HA -0.086 4.254 4.340 0.001 0.000 0.211 298 L C 1.204 177.626 176.870 -0.746 0.000 1.071 298 L CA 1.389 56.121 54.840 -0.180 0.000 0.749 298 L CB -0.163 41.919 42.059 0.038 0.000 0.890 298 L HN 0.745 8.975 8.230 -0.000 0.000 0.431 299 D N 0.813 120.763 120.400 -0.749 0.000 2.338 299 D HA 0.030 4.671 4.640 0.001 0.000 0.255 299 D C -1.351 174.583 176.300 -0.610 0.000 1.237 299 D CA -1.971 51.318 54.000 -1.185 0.000 0.883 299 D CB 0.975 41.375 40.800 -0.666 0.000 1.087 299 D HN -0.048 8.322 8.370 -0.000 0.000 0.485 300 P HA -0.262 4.158 4.420 -0.000 0.000 0.217 300 P C 1.007 178.229 177.300 -0.130 0.000 1.151 300 P CA 1.307 64.261 63.100 -0.244 0.000 0.849 300 P CB 0.097 31.697 31.700 -0.167 0.000 0.787 301 A N -0.279 122.469 122.820 -0.120 0.000 2.070 301 A HA -0.175 4.146 4.320 0.001 0.000 0.220 301 A C 2.159 179.723 177.584 -0.034 0.000 1.159 301 A CA 1.343 53.354 52.037 -0.044 0.000 0.656 301 A CB -1.002 17.991 19.000 -0.011 0.000 0.800 301 A HN 0.293 8.443 8.150 -0.000 0.000 0.453 302 Q N -1.323 118.437 119.800 -0.067 0.000 2.352 302 Q HA 0.137 4.478 4.340 0.001 0.000 0.212 302 Q C 0.844 176.838 176.000 -0.010 0.000 0.888 302 Q CA -0.352 55.434 55.803 -0.029 0.000 0.934 302 Q CB 0.360 29.078 28.738 -0.034 0.000 1.093 302 Q HN 0.542 8.812 8.270 -0.000 0.000 0.523 303 R N 1.532 122.019 120.500 -0.022 0.000 2.590 303 R HA 0.146 4.486 4.340 0.001 0.000 0.274 303 R C -0.190 176.136 176.300 0.043 0.000 1.061 303 R CA -0.055 56.056 56.100 0.020 0.000 1.081 303 R CB 0.391 30.709 30.300 0.030 0.000 0.984 303 R HN 0.135 8.405 8.270 -0.000 0.000 0.448 304 I N 3.242 123.849 120.570 0.062 0.000 2.754 304 I HA -0.050 4.120 4.170 0.001 0.000 0.285 304 I C -0.046 176.130 176.117 0.099 0.000 1.166 304 I CA -0.007 61.345 61.300 0.087 0.000 1.417 304 I CB 0.610 38.673 38.000 0.105 0.000 1.382 304 I HN 0.780 8.990 8.210 -0.000 0.000 0.588 305 D N 3.281 123.753 120.400 0.119 0.000 2.440 305 D HA 0.166 4.807 4.640 0.001 0.000 0.258 305 D C 0.846 177.256 176.300 0.183 0.000 1.092 305 D CA -0.187 53.899 54.000 0.143 0.000 1.016 305 D CB 1.077 41.962 40.800 0.141 0.000 1.141 305 D HN 0.499 8.869 8.370 -0.000 0.000 0.552 306 S N -0.439 115.399 115.700 0.230 0.000 2.382 306 S HA -0.263 4.208 4.470 0.001 0.000 0.228 306 S C 1.466 176.199 174.600 0.221 0.000 1.027 306 S CA 1.461 59.802 58.200 0.236 0.000 0.991 306 S CB -0.576 62.795 63.200 0.285 0.000 0.823 306 S HN 0.582 8.892 8.310 -0.000 0.000 0.469 307 D N 2.029 122.597 120.400 0.279 0.000 2.087 307 D HA -0.152 4.489 4.640 0.001 0.000 0.192 307 D C 1.556 177.944 176.300 0.147 0.000 0.993 307 D CA 1.837 55.949 54.000 0.187 0.000 0.828 307 D CB -0.603 40.354 40.800 0.261 0.000 0.968 307 D HN 0.354 8.724 8.370 -0.000 0.000 0.448 308 D N -0.074 120.428 120.400 0.170 0.000 2.117 308 D HA -0.088 4.552 4.640 0.001 0.000 0.198 308 D C 1.999 178.449 176.300 0.250 0.000 0.982 308 D CA 1.329 55.437 54.000 0.179 0.000 0.828 308 D CB -0.484 40.413 40.800 0.162 0.000 0.967 308 D HN 0.325 8.695 8.370 -0.000 0.000 0.464 309 A N 0.916 123.883 122.820 0.246 0.000 1.940 309 A HA -0.153 4.168 4.320 0.001 0.000 0.219 309 A C 2.357 180.190 177.584 0.414 0.000 1.176 309 A CA 0.974 53.199 52.037 0.313 0.000 0.631 309 A CB -0.789 18.352 19.000 0.235 0.000 0.814 309 A HN 0.220 8.370 8.150 -0.000 0.000 0.446 310 L N -0.528 120.826 121.223 0.219 0.000 2.291 310 L HA -0.074 4.267 4.340 0.001 0.000 0.214 310 L C 1.401 178.503 176.870 0.385 0.000 1.120 310 L CA 0.718 55.588 54.840 0.049 0.000 0.799 310 L CB -0.256 41.764 42.059 -0.066 0.000 0.925 310 L HN 0.404 8.634 8.230 -0.000 0.000 0.446 311 N N -1.868 117.082 118.700 0.417 0.000 2.235 311 N HA -0.026 4.715 4.740 0.001 0.000 0.209 311 N C 0.281 176.079 175.510 0.480 0.000 1.122 311 N CA 0.022 53.338 53.050 0.444 0.000 0.845 311 N CB 0.234 38.809 38.487 0.145 0.000 1.004 311 N HN 0.293 8.673 8.380 -0.000 0.000 0.499 312 H N 1.861 121.224 119.070 0.489 0.000 2.707 312 H HA 0.015 4.571 4.556 0.001 0.000 0.359 312 H C 0.450 176.034 175.328 0.426 0.000 1.113 312 H CA 0.492 56.774 56.048 0.390 0.000 1.422 312 H CB 1.161 31.143 29.762 0.366 0.000 1.443 312 H HN 0.026 8.306 8.280 -0.000 0.000 0.591 313 D N 4.098 124.530 120.400 0.053 0.000 2.203 313 D HA -0.223 4.418 4.640 0.001 0.000 0.199 313 D C 1.827 178.100 176.300 -0.045 0.000 0.997 313 D CA 0.859 54.843 54.000 -0.027 0.000 0.863 313 D CB -0.282 40.301 40.800 -0.362 0.000 0.928 313 D HN 0.551 8.921 8.370 -0.000 0.000 0.458 314 F N 0.858 120.908 119.950 0.166 0.000 2.087 314 F HA -0.267 4.261 4.527 0.001 0.000 0.299 314 F C 1.784 177.370 175.800 -0.356 0.000 1.100 314 F CA 1.455 59.386 58.000 -0.115 0.000 1.226 314 F CB -0.647 38.180 39.000 -0.287 0.000 0.983 314 F HN -0.103 8.197 8.300 -0.000 0.000 0.479 315 F N -2.465 117.359 119.950 -0.209 0.000 2.811 315 F HA 0.012 4.539 4.527 0.001 0.000 0.301 315 F C 0.570 175.766 175.800 -1.007 0.000 1.151 315 F CA 0.197 57.783 58.000 -0.690 0.000 1.412 315 F CB -0.481 38.100 39.000 -0.697 0.000 1.113 315 F HN -0.059 8.241 8.300 -0.000 0.000 0.579 316 W N 0.048 121.329 121.300 -0.031 0.000 2.300 316 W HA 0.309 4.970 4.660 0.001 0.000 0.366 316 W C 0.099 176.531 176.519 -0.144 0.000 0.913 316 W CA -0.370 56.940 57.345 -0.060 0.000 2.200 316 W CB 0.115 29.559 29.460 -0.028 0.000 1.182 316 W HN -0.257 7.923 8.180 -0.000 0.000 0.586 317 S N -0.999 114.631 115.700 -0.117 0.000 2.548 317 S HA 0.426 4.897 4.470 0.001 0.000 0.286 317 S C -0.664 173.882 174.600 -0.089 0.000 1.098 317 S CA -0.918 57.200 58.200 -0.137 0.000 0.930 317 S CB 2.062 65.013 63.200 -0.414 0.000 1.070 317 S HN -0.096 8.214 8.310 -0.000 0.000 0.480 318 D N 3.664 124.057 120.400 -0.011 0.000 2.488 318 D HA 0.266 4.906 4.640 0.001 0.000 0.238 318 D C -1.803 174.515 176.300 0.028 0.000 1.138 318 D CA -0.377 53.625 54.000 0.004 0.000 0.873 318 D CB 0.310 41.128 40.800 0.030 0.000 1.183 318 D HN 0.454 8.824 8.370 -0.000 0.000 0.458 319 P HA 0.149 4.569 4.420 -0.000 0.000 0.279 319 P C -0.195 177.047 177.300 -0.097 0.000 1.239 319 P CA -0.587 62.497 63.100 -0.027 0.000 0.789 319 P CB 0.924 32.620 31.700 -0.006 0.000 0.933 320 M N 2.783 122.328 119.600 -0.092 0.000 2.227 320 M HA 0.314 4.795 4.480 0.001 0.000 0.316 320 M C -2.081 174.129 176.300 -0.149 0.000 1.144 320 M CA -2.306 52.910 55.300 -0.141 0.000 1.121 320 M CB -0.463 32.082 32.600 -0.092 0.000 1.440 320 M HN 0.147 8.437 8.290 -0.000 0.000 0.473 321 P HA 0.008 4.428 4.420 -0.000 0.000 0.264 321 P C -0.758 176.492 177.300 -0.084 0.000 1.183 321 P CA 0.217 63.237 63.100 -0.133 0.000 0.763 321 P CB 0.418 32.035 31.700 -0.138 0.000 0.807 322 S N 1.011 116.679 115.700 -0.054 0.000 2.671 322 S HA 0.574 5.045 4.470 0.001 0.000 0.299 322 S C -0.550 174.034 174.600 -0.026 0.000 1.116 322 S CA -0.918 57.260 58.200 -0.037 0.000 0.912 322 S CB 1.196 64.379 63.200 -0.028 0.000 1.130 322 S HN 0.431 8.741 8.310 -0.000 0.000 0.501 323 D N 0.260 120.646 120.400 -0.024 0.000 2.369 323 D HA 0.093 4.734 4.640 0.001 0.000 0.241 323 D C 0.424 176.711 176.300 -0.022 0.000 1.271 323 D CA -0.617 53.371 54.000 -0.021 0.000 0.942 323 D CB 0.217 41.004 40.800 -0.022 0.000 1.129 323 D HN 0.547 8.917 8.370 -0.000 0.000 0.476 324 L N -0.081 121.127 121.223 -0.025 0.000 2.912 324 L HA 0.168 4.509 4.340 0.001 0.000 0.240 324 L C 1.950 178.778 176.870 -0.070 0.000 1.262 324 L CA -0.334 54.480 54.840 -0.044 0.000 1.058 324 L CB -0.174 41.867 42.059 -0.031 0.000 1.383 324 L HN 0.256 8.486 8.230 -0.000 0.000 0.512 325 K N 0.851 121.220 120.400 -0.053 0.000 2.025 325 K HA -0.079 4.242 4.320 0.001 0.000 0.207 325 K C 2.126 178.685 176.600 -0.070 0.000 1.049 325 K CA 1.371 57.627 56.287 -0.051 0.000 0.933 325 K CB -0.110 32.369 32.500 -0.035 0.000 0.714 325 K HN 0.474 8.724 8.250 -0.000 0.000 0.438 326 G N 1.912 110.668 108.800 -0.074 0.000 2.511 326 G HA2 -0.305 3.655 3.960 0.001 0.000 0.216 326 G HA3 -0.305 3.655 3.960 0.001 0.000 0.216 326 G C 1.377 176.195 174.900 -0.138 0.000 1.218 326 G CA 0.876 45.925 45.100 -0.086 0.000 0.788 326 G HN 0.166 8.456 8.290 -0.000 0.000 0.560 327 M N 0.482 119.957 119.600 -0.208 0.000 2.143 327 M HA -0.027 4.454 4.480 0.001 0.000 0.258 327 M C 2.409 178.532 176.300 -0.294 0.000 1.071 327 M CA 1.471 56.545 55.300 -0.376 0.000 1.088 327 M CB -0.659 31.567 32.600 -0.623 0.000 1.360 327 M HN 0.251 8.541 8.290 -0.000 0.000 0.404 328 L N 0.176 121.275 121.223 -0.206 0.000 2.376 328 L HA -0.133 4.208 4.340 0.001 0.000 0.219 328 L C 2.505 179.338 176.870 -0.063 0.000 1.133 328 L CA 1.236 55.986 54.840 -0.151 0.000 0.816 328 L CB -0.591 41.399 42.059 -0.114 0.000 0.933 328 L HN 0.488 8.718 8.230 -0.000 0.000 0.449 329 S N -1.596 114.060 115.700 -0.073 0.000 2.446 329 S HA -0.118 4.352 4.470 0.001 0.000 0.225 329 S C 1.933 176.491 174.600 -0.070 0.000 1.016 329 S CA 0.911 59.078 58.200 -0.055 0.000 0.943 329 S CB -0.530 62.636 63.200 -0.057 0.000 0.786 329 S HN 0.509 8.819 8.310 -0.000 0.000 0.508 330 T N -1.519 112.985 114.554 -0.082 0.000 3.118 330 T HA 0.050 4.400 4.350 0.001 0.000 0.260 330 T C 0.528 175.203 174.700 -0.042 0.000 1.139 330 T CA 0.341 62.394 62.100 -0.079 0.000 1.085 330 T CB -0.806 68.011 68.868 -0.085 0.000 0.934 330 T HN 0.649 8.889 8.240 -0.000 0.000 0.518 331 H N 0.717 119.730 119.070 -0.095 0.000 2.668 331 H HA 0.601 5.157 4.556 0.001 0.000 0.303 331 H C -0.280 174.975 175.328 -0.122 0.000 1.074 331 H CA -0.687 55.357 56.048 -0.006 0.000 1.406 331 H CB 0.175 29.932 29.762 -0.007 0.000 1.442 331 H HN 0.207 8.487 8.280 -0.000 0.000 0.482 332 L N 2.721 123.573 121.223 -0.618 0.000 2.341 332 L HA 0.319 4.659 4.340 0.001 0.000 0.267 332 L C 1.318 177.927 176.870 -0.435 0.000 1.022 332 L CA -0.506 53.900 54.840 -0.723 0.000 0.844 332 L CB 1.637 42.871 42.059 -1.376 0.000 1.436 332 L HN 0.742 8.972 8.230 -0.000 0.000 0.483 333 T N -3.719 110.619 114.554 -0.360 0.000 3.081 333 T HA 0.209 4.559 4.350 0.001 0.000 0.250 333 T C 0.335 174.911 174.700 -0.205 0.000 1.100 333 T CA 0.331 62.315 62.100 -0.193 0.000 1.038 333 T CB -0.108 68.672 68.868 -0.147 0.000 0.962 333 T HN 0.699 8.939 8.240 -0.000 0.000 0.516 334 S N -0.711 114.818 115.700 -0.285 0.000 2.690 334 S HA 0.289 4.760 4.470 0.001 0.000 0.264 334 S C 0.566 175.078 174.600 -0.146 0.000 1.040 334 S CA -0.418 57.654 58.200 -0.212 0.000 0.869 334 S CB 0.556 63.526 63.200 -0.383 0.000 1.132 334 S HN -0.099 8.211 8.310 -0.000 0.000 0.474 335 M N 1.135 120.703 119.600 -0.054 0.000 2.110 335 M HA -0.081 4.400 4.480 0.001 0.000 0.257 335 M C 1.891 178.220 176.300 0.049 0.000 1.071 335 M CA 2.845 58.176 55.300 0.051 0.000 1.096 335 M CB -1.649 31.004 32.600 0.087 0.000 1.300 335 M HN 0.925 9.215 8.290 -0.000 0.000 0.411 336 F N 0.141 120.131 119.950 0.067 0.000 2.161 336 F HA -0.144 4.384 4.527 0.001 0.000 0.300 336 F C 1.693 177.505 175.800 0.020 0.000 1.089 336 F CA 1.437 59.460 58.000 0.038 0.000 1.282 336 F CB -1.355 37.657 39.000 0.020 0.000 1.010 336 F HN 0.197 8.497 8.300 -0.000 0.000 0.485 337 E N -0.014 119.994 120.200 -0.319 0.000 2.072 337 E HA -0.130 4.220 4.350 0.001 0.000 0.191 337 E C 1.971 178.464 176.600 -0.178 0.000 0.985 337 E CA 1.579 57.840 56.400 -0.232 0.000 0.801 337 E CB -0.696 28.732 29.700 -0.453 0.000 0.750 337 E HN 0.580 8.940 8.360 -0.000 0.000 0.452 338 Y N 0.227 120.444 120.300 -0.139 0.000 2.163 338 Y HA -0.097 4.454 4.550 0.001 0.000 0.288 338 Y C 1.912 177.788 175.900 -0.040 0.000 1.136 338 Y CA 0.923 58.967 58.100 -0.093 0.000 1.147 338 Y CB 0.005 38.401 38.460 -0.107 0.000 0.987 338 Y HN -0.021 8.259 8.280 -0.000 0.000 0.509 339 L N -0.852 120.463 121.223 0.154 0.000 2.509 339 L HA 0.162 4.503 4.340 0.001 0.000 0.222 339 L C 1.026 177.948 176.870 0.086 0.000 1.123 339 L CA -0.301 54.603 54.840 0.106 0.000 0.856 339 L CB -0.336 41.781 42.059 0.097 0.000 0.985 339 L HN 0.022 8.252 8.230 -0.000 0.000 0.456 340 A N 0.586 123.461 122.820 0.092 0.000 2.363 340 A HA 0.530 4.850 4.320 0.001 0.000 0.270 340 A C -2.102 175.513 177.584 0.052 0.000 1.121 340 A CA -1.080 51.005 52.037 0.080 0.000 0.800 340 A CB -0.225 18.841 19.000 0.111 0.000 1.052 340 A HN -0.042 8.108 8.150 -0.000 0.000 0.493 341 P HA 0.289 4.709 4.420 -0.000 0.000 0.272 341 P C -2.401 174.913 177.300 0.023 0.000 1.240 341 P CA -0.703 62.414 63.100 0.028 0.000 0.791 341 P CB 0.116 31.830 31.700 0.024 0.000 0.978 342 P HA 0.427 4.847 4.420 -0.000 0.000 0.219 342 P C -0.438 176.868 177.300 0.010 0.000 1.847 342 P CA -0.145 62.962 63.100 0.011 0.000 1.110 342 P CB 0.733 32.435 31.700 0.004 0.000 1.839 343 R N -0.299 120.208 120.500 0.011 0.000 3.666 343 R HA 0.451 4.792 4.340 0.001 0.000 0.262 343 R C -0.932 175.373 176.300 0.009 0.000 0.919 343 R CA -0.743 55.362 56.100 0.009 0.000 0.762 343 R CB 0.492 30.797 30.300 0.008 0.000 1.754 343 R HN 0.099 8.369 8.270 -0.000 0.000 0.423 344 R N 0.000 120.504 120.500 0.007 0.000 2.786 344 R HA 0.000 4.341 4.340 0.001 0.000 0.208 344 R CA 0.000 56.103 56.100 0.005 0.000 0.921 344 R CB 0.000 30.302 30.300 0.003 0.000 0.687 344 R HN 0.000 8.270 8.270 -0.000 0.000 0.535