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 2gt3_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLFDKKHLVS PADALPGRNT PMPVATLHAV NGHSMTNVPD GMEIAIFAMG DATA SEQUENCE CFWGVERLFW QLPGVYSTAA GYTGGYTPNP TYREVCSGDT GHAEAVRIVY DATA SEQUENCE DPSVISYEQL LQVFWENHDP AQGMRQGNDH GTQYRSAIYP LTPEQDAAAR DATA SEQUENCE ASLERFQAAM LAADDDRHIT TEIANATPFY YAEDDHQQYL HKNPYGYCGI DATA SEQUENCE GGIGVCLPPE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.370 4.470 -0.167 0.000 0.327 1 S C 0.000 174.485 174.600 -0.191 0.000 1.055 1 S CA 0.000 58.129 58.200 -0.118 0.000 1.107 1 S CB 0.000 63.213 63.200 0.021 0.000 0.593 2 L N 1.791 122.752 121.223 -0.437 0.000 2.769 2 L HA 0.305 4.537 4.340 -0.180 0.000 0.240 2 L C -1.693 175.004 176.870 -0.287 0.000 1.163 2 L CA 0.259 54.894 54.840 -0.341 0.000 0.962 2 L CB 0.330 42.186 42.059 -0.339 0.000 1.258 2 L HN 0.098 7.851 8.230 -0.794 0.000 0.513 3 F N 1.277 121.233 119.950 0.009 0.000 2.375 3 F HA 0.109 4.642 4.527 0.009 0.000 0.362 3 F C -0.882 174.930 175.800 0.021 0.000 1.129 3 F CA -1.359 56.649 58.000 0.014 0.000 1.154 3 F CB -0.100 38.912 39.000 0.020 0.000 1.205 3 F HN -0.554 7.567 8.300 -0.185 0.068 0.513 4 D N 3.514 124.025 120.400 0.186 0.000 2.381 4 D HA 0.060 4.777 4.640 0.128 0.000 0.245 4 D C 0.253 176.622 176.300 0.116 0.000 1.297 4 D CA -0.434 53.640 54.000 0.123 0.000 0.931 4 D CB 0.625 41.471 40.800 0.077 0.000 1.334 4 D HN 0.089 8.565 8.370 0.177 0.000 0.535 5 K N 1.308 121.779 120.400 0.118 0.000 2.551 5 K HA -0.037 4.351 4.320 0.113 0.000 0.204 5 K C 0.122 176.787 176.600 0.108 0.000 1.033 5 K CA -0.335 56.019 56.287 0.110 0.000 1.187 5 K CB -0.285 32.273 32.500 0.096 0.000 0.900 5 K HN 0.104 8.426 8.250 0.121 0.000 0.499 6 K N -3.728 116.733 120.400 0.102 0.000 2.228 6 K HA -0.324 4.027 4.320 0.052 0.000 0.205 6 K C 0.302 176.938 176.600 0.060 0.000 1.045 6 K CA 1.421 57.749 56.287 0.068 0.000 0.931 6 K CB -0.620 31.907 32.500 0.044 0.000 0.727 6 K HN -0.384 7.813 8.250 0.101 0.115 0.458 7 H N -1.509 117.568 119.070 0.012 0.000 2.764 7 H HA -0.122 4.433 4.556 -0.001 0.000 0.341 7 H C -0.680 174.651 175.328 0.005 0.000 1.072 7 H CA 1.175 57.226 56.048 0.005 0.000 1.444 7 H CB 0.448 30.212 29.762 0.003 0.000 1.458 7 H HN -0.178 8.221 8.280 0.252 0.032 0.572 8 L N -0.397 120.826 121.223 0.001 0.000 2.322 8 L HA 0.355 4.719 4.340 0.040 0.000 0.252 8 L C -2.004 174.868 176.870 0.005 0.000 1.055 8 L CA -1.493 53.353 54.840 0.010 0.000 0.849 8 L CB 2.345 44.396 42.059 -0.014 0.000 1.446 8 L HN -0.312 7.831 8.230 -0.144 0.000 0.416 9 V N 0.003 119.918 119.914 0.002 0.000 2.775 9 V HA 0.184 4.310 4.120 0.011 0.000 0.299 9 V C -0.289 175.787 176.094 -0.031 0.000 1.062 9 V CA 0.025 62.323 62.300 -0.004 0.000 1.063 9 V CB 1.407 33.228 31.823 -0.003 0.000 0.994 9 V HN 0.238 8.428 8.190 0.001 0.000 0.483 10 S N 5.473 121.148 115.700 -0.042 0.000 2.632 10 S HA 0.369 4.791 4.470 -0.080 0.000 0.267 10 S C -0.824 173.708 174.600 -0.114 0.000 1.276 10 S CA -1.815 56.339 58.200 -0.077 0.000 0.998 10 S CB 1.074 64.228 63.200 -0.076 0.000 0.953 10 S HN -0.008 8.285 8.310 -0.028 0.000 0.547 11 P HA 0.018 4.266 4.420 -0.288 0.000 0.219 11 P C -0.367 176.632 177.300 -0.502 0.000 1.154 11 P CA 1.653 64.506 63.100 -0.412 0.000 0.826 11 P CB 0.152 31.516 31.700 -0.559 0.000 0.795 12 A N -3.128 119.489 122.820 -0.338 0.000 2.067 12 A HA -0.133 4.024 4.320 -0.271 0.000 0.217 12 A C 0.780 178.297 177.584 -0.111 0.000 1.156 12 A CA 1.716 53.619 52.037 -0.224 0.000 0.683 12 A CB -0.187 18.721 19.000 -0.154 0.000 0.808 12 A HN -0.426 7.564 8.150 -0.267 0.000 0.455 13 D N -2.486 117.858 120.400 -0.094 0.000 2.216 13 D HA -0.047 4.572 4.640 -0.034 0.000 0.208 13 D C -0.165 176.123 176.300 -0.020 0.000 0.960 13 D CA 1.252 55.226 54.000 -0.044 0.000 0.861 13 D CB 0.332 41.112 40.800 -0.034 0.000 0.985 13 D HN -0.366 7.786 8.370 -0.118 0.146 0.493 14 A N -1.040 121.768 122.820 -0.020 0.000 2.536 14 A HA -0.226 4.272 4.320 0.023 -0.164 0.234 14 A C 0.429 178.053 177.584 0.067 0.000 1.076 14 A CA 0.639 52.696 52.037 0.034 0.000 0.769 14 A CB 0.571 19.614 19.000 0.072 0.000 1.020 14 A HN -0.322 7.677 8.150 -0.058 0.117 0.508 15 L N 0.427 121.690 121.223 0.066 0.000 2.516 15 L HA -0.169 4.194 4.340 0.038 0.000 0.288 15 L C 0.059 176.991 176.870 0.104 0.000 1.246 15 L CA 0.706 55.580 54.840 0.058 0.000 0.844 15 L CB -0.568 41.507 42.059 0.026 0.000 1.106 15 L HN -0.180 8.082 8.230 0.053 0.000 0.509 16 P HA -0.002 4.510 4.420 0.153 0.000 0.224 16 P C -0.184 177.148 177.300 0.053 0.000 1.157 16 P CA 0.232 63.388 63.100 0.092 0.000 0.799 16 P CB 0.688 32.423 31.700 0.058 0.000 0.809 17 G N -3.722 105.089 108.800 0.019 0.000 2.362 17 G HA2 -0.152 3.851 3.960 -0.037 0.000 0.656 17 G HA3 -0.152 3.788 3.960 -0.034 0.000 0.656 17 G C -2.102 172.774 174.900 -0.041 0.000 1.376 17 G CA -0.678 44.407 45.100 -0.025 0.000 0.971 17 G HN -0.723 7.560 8.290 0.018 0.018 0.636 18 R N -1.514 118.942 120.500 -0.074 0.000 2.808 18 R HA 0.235 4.545 4.340 -0.049 0.000 0.272 18 R C -1.429 174.818 176.300 -0.088 0.000 0.995 18 R CA -1.892 54.167 56.100 -0.069 0.000 0.917 18 R CB 4.178 34.438 30.300 -0.066 0.000 1.217 18 R HN 0.029 8.235 8.270 -0.106 0.000 0.471 19 N N 2.115 120.775 118.700 -0.067 0.000 2.767 19 N HA 0.101 4.791 4.740 -0.083 0.000 0.238 19 N C -1.356 174.113 175.510 -0.068 0.000 1.083 19 N CA 0.335 53.344 53.050 -0.067 0.000 0.964 19 N CB -0.014 38.447 38.487 -0.045 0.000 1.252 19 N HN 0.306 8.655 8.380 -0.052 0.000 0.512 20 T N 4.809 119.307 114.554 -0.094 0.000 3.009 20 T HA 0.278 4.595 4.350 -0.055 0.000 0.346 20 T C -2.542 172.104 174.700 -0.091 0.000 1.092 20 T CA -2.318 59.735 62.100 -0.079 0.000 1.080 20 T CB 1.427 70.250 68.868 -0.076 0.000 1.037 20 T HN -0.381 7.781 8.240 -0.129 0.000 0.487 21 P HA 0.136 4.518 4.420 -0.062 0.000 0.276 21 P C -1.573 175.706 177.300 -0.036 0.000 1.235 21 P CA -0.131 62.939 63.100 -0.050 0.000 0.772 21 P CB 0.693 32.373 31.700 -0.034 0.000 0.871 22 M N 3.979 123.561 119.600 -0.030 0.000 2.227 22 M HA 0.341 4.817 4.480 -0.007 0.000 0.335 22 M C -1.789 174.505 176.300 -0.010 0.000 1.053 22 M CA -2.878 52.417 55.300 -0.010 0.000 0.973 22 M CB 1.330 33.931 32.600 0.002 0.000 1.623 22 M HN -0.172 8.100 8.290 -0.030 0.000 0.434 23 P HA 0.092 4.487 4.420 -0.041 0.000 0.275 23 P C -1.802 175.472 177.300 -0.044 0.000 1.227 23 P CA -0.627 62.455 63.100 -0.031 0.000 0.781 23 P CB 0.323 32.008 31.700 -0.025 0.000 0.906 24 V N 1.901 121.762 119.914 -0.089 0.000 2.417 24 V HA 0.063 4.119 4.120 -0.106 0.000 0.291 24 V C -0.043 175.987 176.094 -0.106 0.000 1.024 24 V CA -0.713 61.499 62.300 -0.146 0.000 0.861 24 V CB 1.662 33.293 31.823 -0.319 0.000 0.985 24 V HN -0.016 8.120 8.190 -0.090 0.000 0.436 25 A N 7.419 130.193 122.820 -0.076 0.000 2.507 25 A HA -0.057 4.229 4.320 -0.056 0.000 0.235 25 A C -0.405 177.142 177.584 -0.062 0.000 1.070 25 A CA 0.582 52.582 52.037 -0.061 0.000 0.768 25 A CB 0.363 19.328 19.000 -0.059 0.000 1.011 25 A HN 0.283 8.401 8.150 -0.054 0.000 0.502 26 T N 0.509 115.034 114.554 -0.048 0.000 2.857 26 T HA -0.174 4.149 4.350 -0.046 0.000 0.266 26 T C -0.313 174.378 174.700 -0.016 0.000 1.048 26 T CA 2.594 64.672 62.100 -0.037 0.000 1.139 26 T CB 0.305 69.154 68.868 -0.032 0.000 0.874 26 T HN -0.005 8.208 8.240 -0.046 0.000 0.455 27 L N -4.948 116.270 121.223 -0.009 0.000 2.303 27 L HA 0.577 5.088 4.340 0.052 -0.139 0.256 27 L C -0.836 176.050 176.870 0.027 0.000 1.034 27 L CA -2.396 52.461 54.840 0.029 0.000 0.832 27 L CB 3.219 45.297 42.059 0.031 0.000 1.403 27 L HN -0.782 7.433 8.230 -0.025 0.000 0.419 28 H N -0.083 118.968 119.070 -0.031 0.000 2.801 28 H HA -0.125 4.382 4.556 -0.082 0.000 0.377 28 H C 0.759 175.999 175.328 -0.147 0.000 1.304 28 H CA 0.737 56.727 56.048 -0.096 0.000 1.451 28 H CB 2.717 32.404 29.762 -0.126 0.000 1.474 28 H HN -0.028 8.352 8.280 0.195 0.017 0.620 29 A N 2.641 124.936 122.820 -0.874 0.000 1.832 29 A HA -0.197 3.932 4.320 -0.318 0.000 0.214 29 A C 0.213 177.656 177.584 -0.234 0.000 1.204 29 A CA 2.913 54.637 52.037 -0.522 0.000 0.606 29 A CB -0.023 18.577 19.000 -0.668 0.000 0.849 29 A HN 0.672 7.537 8.150 -2.142 0.000 0.445 30 V N -4.391 115.418 119.914 -0.175 0.000 2.492 30 V HA -0.283 3.779 4.120 -0.097 0.000 0.241 30 V C 1.136 177.140 176.094 -0.150 0.000 1.041 30 V CA 2.128 64.325 62.300 -0.171 0.000 1.057 30 V CB 0.012 31.587 31.823 -0.413 0.000 0.711 30 V HN -0.316 7.673 8.190 -0.336 0.000 0.468 31 N N -0.607 117.981 118.700 -0.186 0.000 2.272 31 N HA -0.263 4.233 4.740 -0.407 0.000 0.185 31 N C 1.028 176.498 175.510 -0.067 0.000 1.014 31 N CA 2.188 55.015 53.050 -0.372 0.000 0.870 31 N CB 0.477 38.525 38.487 -0.732 0.000 0.975 31 N HN 0.110 8.566 8.380 0.128 0.000 0.433 32 G N -2.070 106.786 108.800 0.093 0.000 2.380 32 G HA2 -0.365 3.854 3.960 0.074 0.000 0.298 32 G HA3 -0.365 3.642 3.960 0.078 0.000 0.298 32 G C -1.117 173.907 174.900 0.207 0.000 0.989 32 G CA 1.163 46.328 45.100 0.109 0.000 0.836 32 G HN -0.447 7.837 8.290 0.177 0.112 0.511 33 H N -1.534 117.541 119.070 0.007 0.000 2.760 33 H HA 0.144 4.700 4.556 0.001 0.000 0.301 33 H C -0.378 174.979 175.328 0.048 0.000 1.498 33 H CA -1.937 54.113 56.048 0.004 0.000 1.525 33 H CB 2.635 32.364 29.762 -0.056 0.000 1.771 33 H HN -0.531 7.841 8.280 0.218 0.039 0.827 34 S N 0.712 116.499 115.700 0.145 0.000 2.546 34 S HA -0.214 4.288 4.470 0.054 0.000 0.290 34 S C -0.021 174.660 174.600 0.135 0.000 1.262 34 S CA 2.070 60.330 58.200 0.100 0.000 1.083 34 S CB -0.366 62.884 63.200 0.084 0.000 0.859 34 S HN 0.361 8.739 8.310 0.113 0.000 0.495 35 M N 5.190 124.845 119.600 0.093 0.000 2.160 35 M HA -0.136 4.441 4.480 0.163 0.000 0.264 35 M C 1.702 178.056 176.300 0.090 0.000 1.073 35 M CA 2.332 57.695 55.300 0.105 0.000 1.142 35 M CB -0.044 32.584 32.600 0.046 0.000 1.358 35 M HN -0.162 8.161 8.290 0.055 0.000 0.422 36 T N -6.294 108.276 114.554 0.028 0.000 3.004 36 T HA -0.073 4.305 4.350 0.047 0.000 0.243 36 T C 0.235 174.950 174.700 0.026 0.000 1.020 36 T CA 0.256 62.364 62.100 0.013 0.000 1.145 36 T CB -0.032 68.805 68.868 -0.051 0.000 0.876 36 T HN -0.061 8.183 8.240 0.007 0.000 0.449 37 N N 2.756 121.468 118.700 0.020 0.000 2.359 37 N HA -0.132 4.610 4.740 0.004 0.000 0.261 37 N C -1.485 174.045 175.510 0.034 0.000 1.267 37 N CA 1.077 54.138 53.050 0.018 0.000 0.864 37 N CB 0.737 39.233 38.487 0.015 0.000 1.063 37 N HN 0.061 8.449 8.380 0.013 0.000 0.474 38 V N 4.913 124.831 119.914 0.007 0.000 2.495 38 V HA 0.165 4.288 4.120 0.005 0.000 0.298 38 V C -1.775 174.294 176.094 -0.042 0.000 1.031 38 V CA -3.110 59.181 62.300 -0.016 0.000 0.871 38 V CB 1.782 33.584 31.823 -0.036 0.000 0.988 38 V HN -0.024 8.164 8.190 -0.004 0.000 0.432 39 P HA 0.108 4.498 4.420 -0.050 0.000 0.278 39 P C -1.079 176.158 177.300 -0.105 0.000 1.238 39 P CA -0.677 62.365 63.100 -0.095 0.000 0.794 39 P CB 0.823 32.427 31.700 -0.159 0.000 0.955 40 D N 0.596 120.955 120.400 -0.068 0.000 2.412 40 D HA -0.285 4.322 4.640 -0.055 0.000 0.257 40 D C 0.977 177.235 176.300 -0.070 0.000 1.217 40 D CA 1.862 55.828 54.000 -0.057 0.000 0.897 40 D CB 0.060 40.840 40.800 -0.033 0.000 1.132 40 D HN 0.089 8.430 8.370 -0.048 0.000 0.493 41 G N 4.005 112.762 108.800 -0.072 0.000 2.238 41 G HA2 -0.376 3.558 3.960 -0.044 0.000 0.217 41 G HA3 -0.376 3.550 3.960 -0.057 0.000 0.217 41 G C -0.851 173.987 174.900 -0.104 0.000 0.996 41 G CA -0.416 44.644 45.100 -0.067 0.000 0.632 41 G HN 0.224 8.473 8.290 -0.068 0.000 0.503 42 M N 1.606 121.112 119.600 -0.157 0.000 2.249 42 M HA 0.178 4.629 4.480 -0.210 -0.097 0.351 42 M C -1.406 174.767 176.300 -0.211 0.000 1.180 42 M CA -0.005 55.165 55.300 -0.217 0.000 1.127 42 M CB 1.449 33.868 32.600 -0.302 0.000 1.546 42 M HN -0.213 7.811 8.290 -0.153 0.174 0.461 43 E N 2.900 122.907 120.200 -0.322 0.000 2.359 43 E HA 0.377 4.597 4.350 -0.217 0.000 0.266 43 E C -1.734 174.629 176.600 -0.394 0.000 0.920 43 E CA -2.028 54.166 56.400 -0.343 0.000 0.788 43 E CB 4.367 33.844 29.700 -0.372 0.000 1.279 43 E HN 0.657 8.762 8.360 -0.425 0.000 0.438 44 I N -1.367 119.046 120.570 -0.262 0.000 2.750 44 I HA 0.583 4.839 4.170 -0.169 -0.187 0.308 44 I C -0.914 175.101 176.117 -0.169 0.000 1.016 44 I CA -1.539 59.645 61.300 -0.193 0.000 1.098 44 I CB 2.936 40.847 38.000 -0.149 0.000 1.279 44 I HN 0.103 8.191 8.210 -0.204 0.000 0.454 45 A N 2.701 125.435 122.820 -0.144 0.000 2.408 45 A HA 0.474 4.625 4.320 -0.281 0.000 0.295 45 A C -2.350 174.841 177.584 -0.654 0.000 1.040 45 A CA -1.119 50.739 52.037 -0.299 0.000 0.707 45 A CB 3.326 22.421 19.000 0.159 0.000 1.235 45 A HN 0.904 8.952 8.150 -0.114 0.034 0.418 46 I N 3.703 123.768 120.570 -0.842 0.000 2.362 46 I HA 0.856 4.962 4.170 -0.526 -0.252 0.289 46 I C -1.602 174.128 176.117 -0.646 0.000 0.994 46 I CA -1.112 59.830 61.300 -0.597 0.000 1.158 46 I CB 1.772 39.598 38.000 -0.291 0.000 1.315 46 I HN -0.171 7.617 8.210 -0.704 0.000 0.451 47 F N 5.699 125.679 119.950 0.050 0.000 2.608 47 F HA 0.377 5.037 4.527 0.074 -0.089 0.309 47 F C -1.684 174.064 175.800 -0.087 0.000 1.103 47 F CA -2.037 55.941 58.000 -0.037 0.000 0.954 47 F CB 4.633 43.451 39.000 -0.304 0.000 1.267 47 F HN -0.025 8.170 8.300 -0.175 0.000 0.444 48 A N 1.151 124.073 122.820 0.170 0.000 2.256 48 A HA 0.603 5.089 4.320 0.083 -0.116 0.317 48 A C -1.056 176.549 177.584 0.034 0.000 1.318 48 A CA -0.988 51.118 52.037 0.114 0.000 0.894 48 A CB 1.954 21.078 19.000 0.206 0.000 1.165 48 A HN 0.987 9.144 8.150 0.201 0.114 0.525 49 M N 3.926 123.491 119.600 -0.059 0.000 2.504 49 M HA 0.219 4.706 4.480 0.011 0.000 0.370 49 M C 0.350 176.530 176.300 -0.200 0.000 1.110 49 M CA -1.126 54.098 55.300 -0.127 0.000 0.938 49 M CB 0.187 32.636 32.600 -0.251 0.000 1.460 49 M HN 0.411 8.651 8.290 -0.084 0.000 0.535 50 G N 0.767 109.568 108.800 0.002 0.000 2.503 50 G HA2 -0.327 3.828 3.960 0.324 0.000 0.235 50 G HA3 -0.327 3.628 3.960 -0.010 0.000 0.235 50 G C -1.343 173.584 174.900 0.045 0.000 1.179 50 G CA -0.366 44.796 45.100 0.103 0.000 0.944 50 G HN -0.636 7.647 8.290 0.076 0.052 0.580 51 C N 2.701 121.909 119.300 -0.155 0.000 2.255 51 C HA -0.170 4.001 4.460 -0.481 0.000 0.401 51 C C 1.441 176.268 174.990 -0.273 0.000 1.529 51 C CA -0.154 58.639 59.018 -0.374 0.000 1.418 51 C CB 0.613 28.082 27.740 -0.452 0.000 2.522 51 C HN 0.190 8.244 8.230 -0.293 0.000 0.616 52 F N 4.425 124.275 119.950 -0.166 0.000 2.811 52 F HA 0.071 4.532 4.527 -0.110 0.000 0.301 52 F C 0.476 176.377 175.800 0.168 0.000 1.151 52 F CA -0.459 57.508 58.000 -0.054 0.000 1.412 52 F CB -1.185 37.786 39.000 -0.049 0.000 1.113 52 F HN 0.329 8.191 8.300 -0.730 0.000 0.579 53 W N 1.633 122.697 121.300 -0.392 0.000 2.418 53 W HA -0.145 4.561 4.660 0.076 0.000 0.319 53 W C 2.407 178.950 176.519 0.039 0.000 1.183 53 W CA 3.070 60.332 57.345 -0.138 0.000 1.327 53 W CB -0.903 28.369 29.460 -0.315 0.000 1.163 53 W HN -0.633 7.072 8.180 -0.685 0.065 0.479 54 G N -1.451 107.472 108.800 0.206 0.000 2.396 54 G HA2 -0.312 3.740 3.960 0.153 0.000 0.214 54 G HA3 -0.312 3.708 3.960 0.100 0.000 0.214 54 G C 1.072 176.054 174.900 0.137 0.000 1.166 54 G CA 1.507 46.693 45.100 0.144 0.000 0.793 54 G HN -0.069 8.295 8.290 0.123 0.000 0.533 55 V N 2.220 122.165 119.914 0.050 0.000 2.231 55 V HA -0.622 3.546 4.120 0.081 0.000 0.248 55 V C 1.340 177.438 176.094 0.007 0.000 1.054 55 V CA 5.757 68.034 62.300 -0.038 0.000 1.015 55 V CB -0.093 31.578 31.823 -0.253 0.000 0.638 55 V HN -0.387 7.797 8.190 -0.010 0.000 0.444 56 E N -1.786 118.462 120.200 0.079 0.000 2.085 56 E HA -0.500 3.895 4.350 0.074 0.000 0.194 56 E C 2.180 179.114 176.600 0.556 0.000 0.994 56 E CA 3.326 59.885 56.400 0.264 0.000 0.801 56 E CB -0.186 29.739 29.700 0.375 0.000 0.743 56 E HN -0.581 7.726 8.360 0.122 0.126 0.453 57 R N -0.985 119.811 120.500 0.494 0.000 2.070 57 R HA -0.250 4.446 4.340 0.595 0.000 0.233 57 R C 2.722 179.242 176.300 0.367 0.000 1.137 57 R CA 2.750 59.080 56.100 0.382 0.000 0.945 57 R CB -0.186 30.124 30.300 0.016 0.000 0.845 57 R HN -0.633 7.785 8.270 0.383 0.082 0.430 58 L N -0.671 120.726 121.223 0.290 0.000 2.012 58 L HA -0.317 4.073 4.340 0.083 0.000 0.210 58 L C 1.821 178.870 176.870 0.298 0.000 1.073 58 L CA 3.481 58.461 54.840 0.232 0.000 0.748 58 L CB -0.437 41.776 42.059 0.256 0.000 0.891 58 L HN 0.555 8.829 8.230 0.273 0.119 0.431 59 F N -3.732 116.325 119.950 0.179 0.000 2.216 59 F HA -0.287 4.354 4.527 0.190 0.000 0.300 59 F C 2.353 178.301 175.800 0.247 0.000 1.085 59 F CA 3.071 61.204 58.000 0.222 0.000 1.326 59 F CB -0.424 38.738 39.000 0.269 0.000 1.027 59 F HN 0.144 8.866 8.300 0.885 0.109 0.497 60 W N -1.286 120.238 121.300 0.372 0.000 2.453 60 W HA -0.294 4.501 4.660 0.225 0.000 0.289 60 W C 0.105 176.720 176.519 0.159 0.000 1.215 60 W CA 2.369 59.876 57.345 0.270 0.000 1.297 60 W CB -0.095 29.616 29.460 0.419 0.000 1.113 60 W HN -0.204 8.166 8.180 0.691 0.225 0.551 61 Q N -2.816 116.575 119.800 -0.682 0.000 2.515 61 Q HA -0.120 3.298 4.340 -1.537 0.000 0.212 61 Q C 0.368 176.111 176.000 -0.429 0.000 0.970 61 Q CA 0.920 56.197 55.803 -0.877 0.000 0.941 61 Q CB 0.302 28.711 28.738 -0.549 0.000 0.998 61 Q HN -0.049 7.865 8.270 -0.263 0.198 0.518 62 L N 1.082 122.171 121.223 -0.223 0.000 2.371 62 L HA 0.264 4.504 4.340 -0.168 0.000 0.272 62 L C -1.570 175.226 176.870 -0.123 0.000 1.124 62 L CA -2.716 52.035 54.840 -0.149 0.000 0.816 62 L CB 0.171 42.159 42.059 -0.119 0.000 1.129 62 L HN -0.903 7.124 8.230 -0.113 0.136 0.448 63 P HA 0.012 4.390 4.420 -0.070 0.000 0.281 63 P C -0.370 176.913 177.300 -0.030 0.000 1.286 63 P CA 0.172 63.227 63.100 -0.075 0.000 0.772 63 P CB -0.046 31.604 31.700 -0.082 0.000 0.862 64 G N 2.245 111.072 108.800 0.045 0.000 2.284 64 G HA2 -0.183 3.864 3.960 0.146 0.000 0.201 64 G HA3 -0.183 3.811 3.960 0.057 0.000 0.201 64 G C -1.179 173.868 174.900 0.245 0.000 0.998 64 G CA -0.374 44.798 45.100 0.119 0.000 0.651 64 G HN 0.074 8.398 8.290 0.057 0.000 0.489 65 V N 1.947 121.991 119.914 0.218 0.000 2.389 65 V HA -0.078 4.398 4.120 0.397 -0.118 0.264 65 V C -0.463 175.829 176.094 0.330 0.000 1.049 65 V CA 0.885 63.375 62.300 0.316 0.000 0.932 65 V CB -1.255 30.751 31.823 0.305 0.000 1.011 65 V HN -0.681 7.530 8.190 0.128 0.056 0.475 66 Y N 9.968 130.368 120.300 0.166 0.000 2.176 66 Y HA -0.232 4.370 4.550 0.088 0.000 0.291 66 Y C -0.729 175.190 175.900 0.032 0.000 1.122 66 Y CA 3.379 61.540 58.100 0.101 0.000 1.128 66 Y CB 1.731 40.249 38.460 0.097 0.000 1.005 66 Y HN 1.150 9.601 8.280 0.481 0.118 0.509 67 S N -6.843 108.984 115.700 0.210 0.000 2.579 67 S HA 0.193 4.492 4.470 -0.286 0.000 0.272 67 S C -2.454 172.242 174.600 0.161 0.000 1.141 67 S CA -0.324 57.897 58.200 0.034 0.000 0.843 67 S CB 2.858 66.124 63.200 0.110 0.000 1.122 67 S HN -0.718 7.772 8.310 0.299 0.000 0.468 68 T N -1.780 112.901 114.554 0.212 0.000 2.883 68 T HA 1.054 5.717 4.350 0.151 -0.222 0.296 68 T C -1.996 172.805 174.700 0.167 0.000 1.117 68 T CA -2.630 59.602 62.100 0.220 0.000 1.006 68 T CB 3.650 72.713 68.868 0.324 0.000 1.191 68 T HN -0.209 8.197 8.240 0.277 0.000 0.508 69 A N -0.394 122.426 122.820 -0.001 0.000 2.515 69 A HA 0.494 4.988 4.320 0.043 -0.148 0.296 69 A C -2.242 175.264 177.584 -0.131 0.000 1.094 69 A CA -1.739 50.250 52.037 -0.080 0.000 0.718 69 A CB 2.933 21.758 19.000 -0.292 0.000 1.307 69 A HN 0.062 8.083 8.150 -0.074 0.084 0.408 70 A N -0.560 122.228 122.820 -0.053 0.000 2.350 70 A HA 0.477 4.712 4.320 -0.143 0.000 0.324 70 A C -1.400 176.046 177.584 -0.230 0.000 1.118 70 A CA -1.753 50.184 52.037 -0.167 0.000 0.783 70 A CB 3.043 21.953 19.000 -0.151 0.000 1.236 70 A HN 0.242 8.611 8.150 0.010 -0.214 0.457 71 G N 0.551 109.070 108.800 -0.467 0.000 2.435 71 G HA2 0.633 3.860 3.960 -1.253 0.000 0.296 71 G HA3 0.633 3.841 3.960 -1.555 -0.181 0.296 71 G C -2.921 171.332 174.900 -1.077 0.000 1.240 71 G CA 0.967 45.443 45.100 -1.040 0.000 0.872 71 G HN 0.036 8.052 8.290 -0.456 0.000 0.480 72 Y N -2.913 117.036 120.300 -0.586 0.000 2.553 72 Y HA 1.000 5.627 4.550 -0.111 -0.144 0.347 72 Y C -1.195 174.634 175.900 -0.117 0.000 1.019 72 Y CA -2.058 55.896 58.100 -0.243 0.000 1.032 72 Y CB 4.486 42.809 38.460 -0.228 0.000 1.284 72 Y HN -0.309 7.380 8.280 -0.984 0.000 0.466 73 T N -1.000 113.745 114.554 0.318 0.000 2.700 73 T HA 0.248 4.970 4.350 0.620 0.000 0.307 73 T C -0.678 174.128 174.700 0.177 0.000 1.580 73 T CA -1.215 61.066 62.100 0.302 0.000 0.992 73 T CB 2.111 70.994 68.868 0.025 0.000 1.577 73 T HN 0.581 9.023 8.240 0.337 0.000 0.496 74 G N 2.934 111.723 108.800 -0.018 0.000 2.234 74 G HA2 -0.333 3.692 3.960 0.107 0.000 0.235 74 G HA3 -0.333 3.723 3.960 0.159 0.000 0.235 74 G C -0.847 173.929 174.900 -0.207 0.000 0.997 74 G CA 0.168 45.279 45.100 0.019 0.000 0.623 74 G HN 0.372 8.614 8.290 -0.080 0.000 0.514 75 G N -0.910 107.423 108.800 -0.777 0.000 2.525 75 G HA2 0.160 3.975 3.960 -0.369 0.000 0.287 75 G HA3 0.160 3.260 3.960 -1.551 -0.071 0.287 75 G C -1.694 172.840 174.900 -0.610 0.000 1.350 75 G CA -0.974 43.542 45.100 -0.973 0.000 1.039 75 G HN -0.776 6.777 8.290 -1.095 0.079 0.513 76 Y N -0.527 119.585 120.300 -0.315 0.000 2.581 76 Y HA 0.166 4.684 4.550 -0.052 0.000 0.271 76 Y C -0.010 175.972 175.900 0.137 0.000 1.100 76 Y CA 0.877 58.948 58.100 -0.048 0.000 1.281 76 Y CB 2.969 41.412 38.460 -0.029 0.000 1.237 76 Y HN -0.002 8.287 8.280 0.014 0.000 0.514 77 T N 6.809 121.565 114.554 0.337 0.000 2.831 77 T HA 0.042 4.481 4.350 0.148 0.000 0.291 77 T C -1.910 172.894 174.700 0.174 0.000 0.981 77 T CA 0.109 62.348 62.100 0.231 0.000 1.174 77 T CB -0.358 68.630 68.868 0.200 0.000 0.929 77 T HN -0.679 7.775 8.240 0.355 0.000 0.532 78 P HA 0.069 4.529 4.420 0.066 0.000 0.276 78 P C -0.899 176.264 177.300 -0.227 0.000 1.235 78 P CA -0.237 62.836 63.100 -0.044 0.000 0.772 78 P CB 1.083 32.748 31.700 -0.058 0.000 0.871 79 N N -2.022 116.336 118.700 -0.570 0.000 2.671 79 N HA -0.258 3.579 4.740 -1.506 0.000 0.261 79 N C -2.183 173.053 175.510 -0.457 0.000 1.053 79 N CA -0.012 52.554 53.050 -0.808 0.000 0.732 79 N CB -0.293 37.885 38.487 -0.516 0.000 0.887 79 N HN 0.363 8.342 8.380 -0.669 0.000 0.546 80 P HA 0.194 4.618 4.420 -0.224 -0.139 0.274 80 P C -0.485 176.694 177.300 -0.201 0.000 1.256 80 P CA -0.584 62.330 63.100 -0.311 0.000 0.795 80 P CB 1.145 32.573 31.700 -0.454 0.000 1.038 81 T N -2.531 111.944 114.554 -0.132 0.000 2.908 81 T HA 0.309 4.673 4.350 0.023 0.000 0.290 81 T C 0.176 174.863 174.700 -0.021 0.000 1.034 81 T CA -1.841 60.238 62.100 -0.034 0.000 1.010 81 T CB 3.345 72.190 68.868 -0.039 0.000 1.068 81 T HN 0.331 8.734 8.240 -0.147 -0.251 0.481 82 Y N 7.797 128.100 120.300 0.006 0.000 2.114 82 Y HA -0.484 3.935 4.550 -0.218 0.000 0.282 82 Y C 1.351 177.175 175.900 -0.127 0.000 1.165 82 Y CA 3.586 61.661 58.100 -0.042 0.000 1.148 82 Y CB -0.255 38.281 38.460 0.127 0.000 0.972 82 Y HN 0.626 9.107 8.280 0.336 0.000 0.504 83 R N -2.421 117.806 120.500 -0.455 0.000 2.105 83 R HA -0.364 3.435 4.340 -0.901 0.000 0.239 83 R C 2.492 178.595 176.300 -0.328 0.000 1.135 83 R CA 4.340 60.117 56.100 -0.538 0.000 0.967 83 R CB -0.774 29.346 30.300 -0.301 0.000 0.861 83 R HN 0.399 8.563 8.270 -0.176 0.000 0.442 84 E N -0.216 119.849 120.200 -0.226 0.000 2.047 84 E HA -0.286 3.974 4.350 -0.149 0.000 0.191 84 E C 2.502 178.979 176.600 -0.204 0.000 0.987 84 E CA 3.002 59.298 56.400 -0.174 0.000 0.799 84 E CB -0.390 29.233 29.700 -0.129 0.000 0.752 84 E HN -0.757 7.389 8.360 -0.186 0.102 0.449 85 V N 0.878 120.620 119.914 -0.285 0.000 2.407 85 V HA -0.394 3.576 4.120 -0.250 0.000 0.248 85 V C 2.269 178.174 176.094 -0.315 0.000 1.055 85 V CA 4.341 66.425 62.300 -0.359 0.000 1.049 85 V CB -0.276 31.102 31.823 -0.742 0.000 0.662 85 V HN 0.539 8.435 8.190 -0.306 0.111 0.455 86 C N -3.357 115.755 119.300 -0.314 0.000 2.413 86 C HA -0.444 3.866 4.460 -0.250 0.000 0.277 86 C C 1.767 176.637 174.990 -0.199 0.000 1.265 86 C CA 3.303 62.163 59.018 -0.264 0.000 1.752 86 C CB -0.400 27.131 27.740 -0.348 0.000 1.998 86 C HN 0.386 8.205 8.230 -0.355 0.198 0.489 87 S N -0.633 114.958 115.700 -0.181 0.000 2.355 87 S HA -0.099 4.310 4.470 -0.103 0.000 0.222 87 S C 0.922 175.462 174.600 -0.099 0.000 1.031 87 S CA 2.185 60.313 58.200 -0.119 0.000 0.993 87 S CB 0.767 63.905 63.200 -0.103 0.000 0.859 87 S HN -0.446 7.623 8.310 -0.206 0.117 0.453 88 G N -0.883 107.852 108.800 -0.109 0.000 2.134 88 G HA2 -0.220 3.682 3.960 -0.097 0.000 0.209 88 G HA3 -0.220 3.696 3.960 -0.072 0.000 0.209 88 G C -0.920 173.955 174.900 -0.042 0.000 0.993 88 G CA 0.122 45.173 45.100 -0.081 0.000 0.669 88 G HN -0.157 7.993 8.290 -0.131 0.061 0.519 89 D N -0.627 119.748 120.400 -0.040 0.000 2.358 89 D HA 0.184 4.818 4.640 -0.011 0.000 0.224 89 D C -0.026 176.281 176.300 0.012 0.000 1.123 89 D CA 1.271 55.262 54.000 -0.016 0.000 0.833 89 D CB 0.696 41.483 40.800 -0.022 0.000 0.946 89 D HN -0.519 7.815 8.370 -0.060 0.000 0.505 90 T N -6.455 108.115 114.554 0.026 0.000 2.978 90 T HA 0.319 4.744 4.350 0.125 0.000 0.248 90 T C 0.491 175.262 174.700 0.118 0.000 1.018 90 T CA -0.091 62.078 62.100 0.115 0.000 1.026 90 T CB 1.446 70.391 68.868 0.129 0.000 1.032 90 T HN -0.387 7.767 8.240 -0.002 0.085 0.485 91 G N 1.030 109.853 108.800 0.038 0.000 2.176 91 G HA2 -0.435 3.517 3.960 -0.014 0.000 0.253 91 G HA3 -0.435 3.507 3.960 -0.030 0.000 0.253 91 G C -0.201 174.659 174.900 -0.067 0.000 0.979 91 G CA 0.168 45.257 45.100 -0.019 0.000 0.641 91 G HN 0.132 8.432 8.290 0.018 0.000 0.530 92 H N 2.940 122.004 119.070 -0.010 0.000 2.582 92 H HA -0.042 4.749 4.556 0.049 -0.205 0.345 92 H C -2.141 173.172 175.328 -0.024 0.000 1.104 92 H CA 1.511 57.558 56.048 -0.001 0.000 1.390 92 H CB 1.062 30.811 29.762 -0.022 0.000 1.461 92 H HN -0.612 7.711 8.280 0.171 0.059 0.551 93 A N 1.217 124.135 122.820 0.163 0.000 2.346 93 A HA 0.318 4.668 4.320 0.050 0.000 0.313 93 A C -1.780 175.945 177.584 0.234 0.000 1.140 93 A CA -2.157 49.963 52.037 0.138 0.000 0.826 93 A CB 3.110 22.201 19.000 0.152 0.000 1.332 93 A HN 1.176 9.315 8.150 0.204 0.134 0.457 94 E N -0.010 120.326 120.200 0.226 0.000 2.328 94 E HA -0.029 4.599 4.350 0.464 0.000 0.265 94 E C -1.191 175.548 176.600 0.231 0.000 1.057 94 E CA 1.081 57.668 56.400 0.312 0.000 0.916 94 E CB 0.093 29.995 29.700 0.337 0.000 0.993 94 E HN -0.267 8.189 8.360 0.161 0.000 0.446 95 A N 4.257 127.196 122.820 0.199 0.000 2.454 95 A HA 0.598 5.170 4.320 0.138 -0.169 0.302 95 A C -2.574 175.077 177.584 0.112 0.000 1.079 95 A CA -1.861 50.282 52.037 0.178 0.000 0.731 95 A CB 3.959 23.121 19.000 0.270 0.000 1.299 95 A HN 0.105 8.353 8.150 0.163 0.000 0.413 96 V N -4.207 115.664 119.914 -0.072 0.000 2.888 96 V HA 0.481 4.509 4.120 -0.244 -0.054 0.309 96 V C -1.601 174.228 176.094 -0.442 0.000 1.114 96 V CA -2.698 59.458 62.300 -0.241 0.000 0.940 96 V CB 3.491 35.229 31.823 -0.142 0.000 1.021 96 V HN -0.134 8.003 8.190 -0.088 0.000 0.426 97 R N 4.451 124.538 120.500 -0.688 0.000 2.202 97 R HA 0.321 4.499 4.340 -0.531 -0.157 0.334 97 R C -0.691 175.480 176.300 -0.214 0.000 1.036 97 R CA -0.394 55.359 56.100 -0.578 0.000 0.878 97 R CB 0.778 30.581 30.300 -0.828 0.000 1.067 97 R HN -0.226 7.543 8.270 -0.835 0.000 0.457 98 I N 5.248 125.783 120.570 -0.059 0.000 2.377 98 I HA 0.259 4.668 4.170 0.181 -0.131 0.293 98 I C -1.085 175.126 176.117 0.157 0.000 0.987 98 I CA -0.692 60.715 61.300 0.178 0.000 1.185 98 I CB 2.307 40.577 38.000 0.451 0.000 1.341 98 I HN 1.205 9.211 8.210 -0.125 0.129 0.455 99 V N 7.490 127.511 119.914 0.177 0.000 2.334 99 V HA 0.703 5.021 4.120 -0.037 -0.220 0.281 99 V C -1.223 175.001 176.094 0.216 0.000 1.016 99 V CA -1.127 61.232 62.300 0.098 0.000 0.832 99 V CB 0.593 32.468 31.823 0.086 0.000 0.999 99 V HN 1.111 9.325 8.190 0.216 0.106 0.439 100 Y N 4.715 125.090 120.300 0.125 0.000 2.634 100 Y HA 0.929 5.706 4.550 0.170 -0.125 0.340 100 Y C -2.664 173.265 175.900 0.048 0.000 1.058 100 Y CA -3.853 54.321 58.100 0.124 0.000 1.081 100 Y CB 3.348 41.894 38.460 0.145 0.000 1.295 100 Y HN 0.823 8.879 8.280 -0.374 0.000 0.487 101 D N -0.334 120.274 120.400 0.346 0.000 2.177 101 D HA 0.515 5.159 4.640 0.007 0.000 0.247 101 D C -1.069 175.451 176.300 0.367 0.000 1.063 101 D CA -3.321 50.789 54.000 0.183 0.000 0.867 101 D CB 3.277 44.127 40.800 0.083 0.000 1.168 101 D HN -0.400 8.203 8.370 0.387 0.000 0.445 102 P HA 0.274 5.115 4.420 0.390 -0.186 0.233 102 P C 0.029 177.409 177.300 0.133 0.000 1.167 102 P CA 0.857 64.118 63.100 0.269 0.000 0.770 102 P CB 0.635 32.464 31.700 0.214 0.000 0.837 103 S N -3.105 112.653 115.700 0.097 0.000 2.501 103 S HA -0.038 4.460 4.470 0.046 0.000 0.220 103 S C 0.017 174.645 174.600 0.046 0.000 0.997 103 S CA 1.600 59.833 58.200 0.056 0.000 0.919 103 S CB 0.170 63.396 63.200 0.042 0.000 0.778 103 S HN -0.328 8.152 8.310 0.097 -0.112 0.523 104 V N 0.975 120.930 119.914 0.069 0.000 2.635 104 V HA 0.018 4.156 4.120 0.030 0.000 0.233 104 V C -0.257 175.838 176.094 0.002 0.000 1.097 104 V CA 1.229 63.558 62.300 0.049 0.000 1.134 104 V CB 1.298 33.174 31.823 0.089 0.000 0.841 104 V HN -0.840 7.258 8.190 0.111 0.159 0.496 105 I N -1.563 119.009 120.570 0.004 0.000 2.707 105 I HA 0.419 4.619 4.170 -0.147 -0.118 0.309 105 I C -2.308 173.682 176.117 -0.212 0.000 1.001 105 I CA -1.816 59.399 61.300 -0.142 0.000 1.129 105 I CB 3.395 41.269 38.000 -0.211 0.000 1.308 105 I HN 0.230 8.500 8.210 0.100 0.000 0.466 106 S N 4.347 119.846 115.700 -0.336 0.000 2.503 106 S HA 0.465 4.787 4.470 -0.246 0.000 0.301 106 S C 1.188 175.472 174.600 -0.527 0.000 1.087 106 S CA -1.957 55.992 58.200 -0.418 0.000 1.042 106 S CB 3.138 66.040 63.200 -0.497 0.000 1.043 106 S HN 0.916 9.526 8.310 -0.339 -0.504 0.489 107 Y N 2.119 122.321 120.300 -0.162 0.000 2.228 107 Y HA -0.467 3.956 4.550 -0.213 0.000 0.285 107 Y C 1.670 177.456 175.900 -0.191 0.000 1.178 107 Y CA 2.976 61.007 58.100 -0.115 0.000 1.202 107 Y CB -1.396 37.131 38.460 0.113 0.000 0.974 107 Y HN 0.590 8.794 8.280 -0.127 0.000 0.527 108 E N -0.827 119.092 120.200 -0.468 0.000 2.077 108 E HA -0.484 3.905 4.350 0.065 0.000 0.193 108 E C 2.401 178.828 176.600 -0.289 0.000 0.989 108 E CA 3.970 60.231 56.400 -0.231 0.000 0.800 108 E CB -0.763 28.741 29.700 -0.328 0.000 0.746 108 E HN -0.036 7.500 8.360 -1.350 0.015 0.452 109 Q N -0.578 118.994 119.800 -0.380 0.000 2.050 109 Q HA -0.276 3.884 4.340 -0.300 0.000 0.202 109 Q C 2.795 178.461 176.000 -0.555 0.000 0.980 109 Q CA 3.135 58.710 55.803 -0.378 0.000 0.840 109 Q CB 0.052 28.587 28.738 -0.338 0.000 0.898 109 Q HN -0.661 7.250 8.270 -0.434 0.099 0.424 110 L N -0.367 120.447 121.223 -0.682 0.000 1.989 110 L HA -0.447 3.305 4.340 -0.981 0.000 0.211 110 L C 2.130 177.660 176.870 -2.233 0.000 1.071 110 L CA 3.291 57.449 54.840 -1.137 0.000 0.749 110 L CB -0.294 41.371 42.059 -0.657 0.000 0.890 110 L HN -0.342 7.547 8.230 -0.569 0.000 0.431 111 L N -3.207 117.147 121.223 -1.448 0.000 2.013 111 L HA -0.509 2.805 4.340 -1.710 0.000 0.212 111 L C 2.260 178.519 176.870 -1.018 0.000 1.073 111 L CA 3.368 57.479 54.840 -1.216 0.000 0.753 111 L CB -0.693 41.223 42.059 -0.238 0.000 0.890 111 L HN 0.347 7.988 8.230 -0.802 0.107 0.432 112 Q N -0.744 118.762 119.800 -0.490 0.000 2.061 112 Q HA -0.380 4.108 4.340 0.246 0.000 0.204 112 Q C 2.707 178.558 176.000 -0.248 0.000 0.984 112 Q CA 3.329 59.043 55.803 -0.148 0.000 0.846 112 Q CB -0.037 28.631 28.738 -0.117 0.000 0.902 112 Q HN -0.161 7.663 8.270 -0.447 0.178 0.421 113 V N 0.222 119.848 119.914 -0.480 0.000 2.332 113 V HA -0.419 3.598 4.120 -0.172 0.000 0.248 113 V C 2.336 178.365 176.094 -0.108 0.000 1.055 113 V CA 3.622 65.732 62.300 -0.318 0.000 1.038 113 V CB -0.771 30.787 31.823 -0.442 0.000 0.651 113 V HN 0.429 8.038 8.190 -0.664 0.183 0.450 114 F N -2.677 117.000 119.950 -0.456 0.000 2.216 114 F HA -0.102 4.340 4.527 -0.141 0.000 0.300 114 F C 2.783 178.428 175.800 -0.259 0.000 1.085 114 F CA 1.125 58.851 58.000 -0.457 0.000 1.326 114 F CB -1.695 36.723 39.000 -0.970 0.000 1.027 114 F HN -0.020 7.552 8.300 -1.074 0.083 0.497 115 W N -3.406 118.055 121.300 0.268 0.000 2.863 115 W HA 0.151 5.201 4.660 0.367 -0.170 0.258 115 W C 1.780 178.473 176.519 0.290 0.000 1.298 115 W CA 0.106 57.658 57.345 0.346 0.000 1.451 115 W CB 0.600 30.299 29.460 0.399 0.000 1.107 115 W HN -0.768 7.112 8.180 -0.284 0.129 0.641 116 E N -3.266 117.108 120.200 0.290 0.000 2.474 116 E HA -0.144 4.321 4.350 0.192 0.000 0.194 116 E C 0.040 176.740 176.600 0.166 0.000 1.041 116 E CA 1.545 58.050 56.400 0.175 0.000 0.874 116 E CB 0.390 30.127 29.700 0.061 0.000 0.914 116 E HN 0.138 8.335 8.360 0.163 0.261 0.498 117 N N -4.595 114.234 118.700 0.214 0.000 2.516 117 N HA 0.074 4.918 4.740 0.173 0.000 0.197 117 N C -1.071 174.636 175.510 0.329 0.000 1.064 117 N CA 1.156 54.341 53.050 0.225 0.000 0.866 117 N CB 3.147 41.772 38.487 0.230 0.000 1.255 117 N HN -0.266 8.090 8.380 0.243 0.169 0.447 118 H N -1.416 117.776 119.070 0.204 0.000 2.949 118 H HA 0.254 4.903 4.556 0.155 0.000 0.356 118 H C -2.766 172.730 175.328 0.279 0.000 1.212 118 H CA -0.864 55.298 56.048 0.189 0.000 1.136 118 H CB 4.099 33.941 29.762 0.132 0.000 1.869 118 H HN -0.224 8.156 8.280 0.385 0.130 0.556 119 D N -0.838 119.508 120.400 -0.091 0.000 2.185 119 D HA 0.400 5.040 4.640 -0.001 0.000 0.247 119 D C -0.623 175.591 176.300 -0.144 0.000 1.027 119 D CA -3.307 50.622 54.000 -0.118 0.000 0.861 119 D CB 3.014 43.717 40.800 -0.162 0.000 1.202 119 D HN 0.223 8.192 8.370 -0.668 0.000 0.453 120 P HA 0.078 4.587 4.420 0.149 0.000 0.245 120 P C -1.906 175.266 177.300 -0.213 0.000 1.212 120 P CA 0.438 63.406 63.100 -0.220 0.000 0.774 120 P CB 0.575 31.849 31.700 -0.709 0.000 0.999 121 A N -3.605 119.070 122.820 -0.243 0.000 3.105 121 A HA 0.313 4.664 4.320 -0.076 -0.076 0.297 121 A C -0.634 176.904 177.584 -0.077 0.000 0.977 121 A CA -0.886 51.076 52.037 -0.126 0.000 1.020 121 A CB -0.096 18.828 19.000 -0.126 0.000 1.098 121 A HN -0.785 7.230 8.150 -0.317 -0.055 0.497 122 Q N -0.941 118.819 119.800 -0.067 0.000 2.280 122 Q HA 0.001 4.293 4.340 -0.079 0.000 0.202 122 Q C 0.471 176.492 176.000 0.036 0.000 0.903 122 Q CA -1.847 53.922 55.803 -0.057 0.000 0.948 122 Q CB 0.238 28.890 28.738 -0.144 0.000 1.058 122 Q HN -0.043 8.201 8.270 -0.043 0.000 0.493 123 G N -0.572 108.256 108.800 0.047 0.000 2.578 123 G HA2 -0.510 3.494 3.960 0.073 0.000 0.313 123 G HA3 -0.510 3.493 3.960 0.071 0.000 0.313 123 G C -0.404 174.556 174.900 0.101 0.000 1.324 123 G CA 0.893 46.037 45.100 0.073 0.000 0.955 123 G HN 0.106 8.329 8.290 0.029 0.084 0.541 124 M N 3.375 123.037 119.600 0.103 0.000 3.092 124 M HA -0.012 4.545 4.480 0.128 0.000 0.228 124 M C -1.416 174.985 176.300 0.168 0.000 1.301 124 M CA 0.222 55.595 55.300 0.122 0.000 1.216 124 M CB -1.634 31.024 32.600 0.096 0.000 1.356 124 M HN 0.211 8.556 8.290 0.092 0.000 0.463 125 R N -3.073 117.532 120.500 0.175 0.000 2.680 125 R HA 0.315 4.819 4.340 0.273 0.000 0.269 125 R C -1.957 174.436 176.300 0.155 0.000 1.026 125 R CA -0.646 55.561 56.100 0.179 0.000 0.889 125 R CB 4.656 35.018 30.300 0.104 0.000 1.241 125 R HN -0.213 8.052 8.270 0.153 0.096 0.463 126 Q N 0.796 120.625 119.800 0.049 0.000 2.275 126 Q HA 0.354 4.995 4.340 0.266 -0.141 0.266 126 Q C -0.092 175.874 176.000 -0.056 0.000 1.002 126 Q CA -1.277 54.570 55.803 0.074 0.000 0.761 126 Q CB 2.586 31.311 28.738 -0.020 0.000 1.255 126 Q HN -0.062 8.164 8.270 -0.074 0.000 0.446 127 G N 7.901 116.749 108.800 0.081 0.000 2.574 127 G HA2 -0.590 3.406 3.960 0.059 0.000 0.301 127 G HA3 -0.590 3.364 3.960 -0.010 0.000 0.301 127 G C -0.983 173.896 174.900 -0.034 0.000 1.166 127 G CA 1.397 46.508 45.100 0.020 0.000 0.971 127 G HN 0.123 8.518 8.290 0.175 0.000 0.542 128 N N 4.619 123.274 118.700 -0.076 0.000 2.275 128 N HA 0.199 4.919 4.740 -0.033 0.000 0.236 128 N C -1.705 173.711 175.510 -0.157 0.000 1.154 128 N CA -0.265 52.745 53.050 -0.068 0.000 0.866 128 N CB 0.957 39.419 38.487 -0.043 0.000 1.093 128 N HN 0.294 8.618 8.380 -0.093 0.000 0.515 129 D N -0.280 119.963 120.400 -0.263 0.000 2.342 129 D HA 0.296 4.617 4.640 -0.531 0.000 0.243 129 D C -1.398 174.755 176.300 -0.245 0.000 1.019 129 D CA -1.246 52.480 54.000 -0.455 0.000 0.864 129 D CB 2.559 42.854 40.800 -0.841 0.000 1.315 129 D HN -0.351 7.689 8.370 -0.239 0.187 0.468 130 H N -1.909 117.239 119.070 0.131 0.000 2.524 130 H HA 0.147 4.802 4.556 0.165 0.000 0.353 130 H C -0.673 174.834 175.328 0.298 0.000 1.136 130 H CA -2.180 53.976 56.048 0.180 0.000 1.193 130 H CB 1.938 31.734 29.762 0.056 0.000 1.558 130 H HN 0.186 7.959 8.280 -0.846 0.000 0.515 131 G N 2.731 111.734 108.800 0.337 0.000 2.343 131 G HA2 -0.082 3.918 3.960 0.067 0.000 0.298 131 G HA3 -0.082 3.817 3.960 -0.101 0.000 0.298 131 G C -0.666 174.245 174.900 0.018 0.000 1.644 131 G CA 0.604 45.753 45.100 0.081 0.000 0.958 131 G HN -0.209 8.263 8.290 0.302 0.000 0.702 132 T N 2.413 116.944 114.554 -0.038 0.000 3.160 132 T HA -0.263 4.109 4.350 0.037 0.000 0.257 132 T C 0.741 175.400 174.700 -0.069 0.000 1.147 132 T CA 3.047 65.137 62.100 -0.016 0.000 1.064 132 T CB -0.221 68.644 68.868 -0.006 0.000 0.949 132 T HN 0.573 8.783 8.240 -0.050 0.000 0.526 133 Q N -2.658 117.004 119.800 -0.231 0.000 2.319 133 Q HA 0.029 4.289 4.340 -0.134 0.000 0.202 133 Q C -0.920 174.940 176.000 -0.233 0.000 0.896 133 Q CA 0.667 56.297 55.803 -0.287 0.000 0.942 133 Q CB -0.332 28.133 28.738 -0.455 0.000 1.083 133 Q HN -0.006 7.973 8.270 -0.348 0.082 0.510 134 Y N -0.554 119.764 120.300 0.031 0.000 2.781 134 Y HA 0.181 4.748 4.550 0.028 0.000 0.326 134 Y C -0.874 175.075 175.900 0.081 0.000 1.019 134 Y CA -1.901 56.221 58.100 0.037 0.000 1.372 134 Y CB -1.202 37.266 38.460 0.014 0.000 1.260 134 Y HN -0.599 7.502 8.280 -0.029 0.161 0.546 135 R N -1.330 119.288 120.500 0.196 0.000 2.650 135 R HA 0.057 4.717 4.340 0.172 -0.217 0.232 135 R C -0.336 176.076 176.300 0.186 0.000 1.247 135 R CA -0.365 55.836 56.100 0.168 0.000 1.061 135 R CB 1.774 32.147 30.300 0.121 0.000 1.279 135 R HN -0.508 7.779 8.270 0.142 0.068 0.549 136 S N -1.137 114.660 115.700 0.162 0.000 2.672 136 S HA 0.345 5.156 4.470 0.172 -0.238 0.291 136 S C -1.802 172.878 174.600 0.134 0.000 1.145 136 S CA -1.124 57.180 58.200 0.173 0.000 1.013 136 S CB 1.321 64.653 63.200 0.220 0.000 1.017 136 S HN 0.193 8.584 8.310 0.135 0.000 0.487 137 A N 6.180 129.065 122.820 0.107 0.000 2.609 137 A HA 0.758 5.211 4.320 0.021 -0.120 0.291 137 A C -2.709 174.870 177.584 -0.008 0.000 1.096 137 A CA -1.152 50.885 52.037 -0.001 0.000 0.684 137 A CB 3.824 22.772 19.000 -0.086 0.000 1.282 137 A HN 0.492 8.713 8.150 0.118 0.000 0.412 138 I N -1.603 118.889 120.570 -0.130 0.000 2.582 138 I HA 0.228 4.674 4.170 0.459 0.000 0.292 138 I C -2.314 173.707 176.117 -0.161 0.000 1.066 138 I CA -0.243 61.139 61.300 0.136 0.000 1.053 138 I CB 4.803 42.975 38.000 0.287 0.000 1.241 138 I HN -0.217 7.846 8.210 -0.245 0.000 0.421 139 Y N 3.547 124.042 120.300 0.325 0.000 2.681 139 Y HA 0.813 5.620 4.550 0.141 -0.172 0.347 139 Y C -2.466 173.470 175.900 0.060 0.000 1.029 139 Y CA -3.284 54.889 58.100 0.121 0.000 1.279 139 Y CB 1.133 39.598 38.460 0.008 0.000 1.096 139 Y HN 0.826 9.418 8.280 0.520 0.000 0.580 140 P HA 0.116 4.685 4.420 0.249 0.000 0.277 140 P C -1.607 175.766 177.300 0.121 0.000 1.276 140 P CA -0.457 62.781 63.100 0.230 0.000 0.788 140 P CB 1.839 33.678 31.700 0.231 0.000 1.114 141 L N -4.223 117.052 121.223 0.086 0.000 2.577 141 L HA 0.319 4.679 4.340 0.033 0.000 0.225 141 L C 0.613 177.502 176.870 0.032 0.000 1.053 141 L CA -0.426 54.437 54.840 0.037 0.000 0.866 141 L CB 1.077 43.136 42.059 0.001 0.000 1.132 141 L HN 0.170 8.802 8.230 0.111 -0.335 0.486 142 T N -2.913 111.660 114.554 0.032 0.000 2.948 142 T HA 0.487 4.843 4.350 0.009 0.000 0.285 142 T C -1.192 173.505 174.700 -0.006 0.000 1.019 142 T CA -3.448 58.656 62.100 0.006 0.000 1.013 142 T CB 2.025 70.890 68.868 -0.005 0.000 1.117 142 T HN -0.589 7.915 8.240 0.050 -0.234 0.533 143 P HA 0.054 4.473 4.420 -0.001 0.000 0.219 143 P C 1.567 178.834 177.300 -0.056 0.000 1.154 143 P CA 2.065 65.155 63.100 -0.016 0.000 0.826 143 P CB 0.122 31.818 31.700 -0.005 0.000 0.795 144 E N -1.487 118.652 120.200 -0.100 0.000 2.153 144 E HA -0.263 4.020 4.350 -0.111 0.000 0.194 144 E C 2.556 178.930 176.600 -0.376 0.000 0.988 144 E CA 3.435 59.722 56.400 -0.188 0.000 0.811 144 E CB -0.556 29.035 29.700 -0.182 0.000 0.746 144 E HN 0.497 8.810 8.360 -0.079 0.000 0.466 145 Q N -1.300 118.286 119.800 -0.357 0.000 2.083 145 Q HA -0.277 3.610 4.340 -0.755 0.000 0.198 145 Q C 2.358 178.320 176.000 -0.064 0.000 0.969 145 Q CA 3.111 58.714 55.803 -0.332 0.000 0.838 145 Q CB -0.013 28.678 28.738 -0.079 0.000 0.900 145 Q HN -0.473 7.555 8.270 -0.222 0.109 0.436 146 D N 0.366 120.762 120.400 -0.007 0.000 2.117 146 D HA -0.258 4.443 4.640 0.102 0.000 0.197 146 D C 1.940 178.262 176.300 0.037 0.000 0.987 146 D CA 3.364 57.395 54.000 0.051 0.000 0.829 146 D CB -0.066 40.762 40.800 0.048 0.000 0.961 146 D HN -0.639 7.637 8.370 -0.024 0.079 0.460 147 A N -1.249 121.570 122.820 -0.001 0.000 1.933 147 A HA -0.222 4.110 4.320 0.021 0.000 0.218 147 A C 2.044 179.647 177.584 0.031 0.000 1.175 147 A CA 3.140 55.182 52.037 0.009 0.000 0.628 147 A CB -0.663 18.334 19.000 -0.006 0.000 0.814 147 A HN 0.276 8.408 8.150 -0.031 0.000 0.444 148 A N -1.934 120.898 122.820 0.019 0.000 1.897 148 A HA -0.223 4.167 4.320 0.117 0.000 0.215 148 A C 1.835 179.513 177.584 0.157 0.000 1.181 148 A CA 2.579 54.680 52.037 0.106 0.000 0.620 148 A CB -0.600 18.495 19.000 0.159 0.000 0.821 148 A HN -0.310 7.709 8.150 -0.059 0.095 0.443 149 A N 0.205 123.121 122.820 0.160 0.000 1.858 149 A HA -0.301 4.223 4.320 0.339 0.000 0.216 149 A C 1.805 179.504 177.584 0.191 0.000 1.190 149 A CA 3.075 55.258 52.037 0.244 0.000 0.617 149 A CB -0.419 18.726 19.000 0.241 0.000 0.827 149 A HN 0.638 8.654 8.150 0.110 0.200 0.443 150 R N -2.940 117.626 120.500 0.110 0.000 2.120 150 R HA -0.326 4.043 4.340 0.049 0.000 0.234 150 R C 1.871 178.183 176.300 0.021 0.000 1.123 150 R CA 3.047 59.179 56.100 0.053 0.000 0.975 150 R CB -0.439 29.884 30.300 0.037 0.000 0.866 150 R HN 0.507 8.725 8.270 0.098 0.111 0.446 151 A N 0.130 122.975 122.820 0.041 0.000 1.873 151 A HA -0.194 4.129 4.320 0.005 0.000 0.215 151 A C 2.138 179.722 177.584 -0.000 0.000 1.186 151 A CA 2.911 54.962 52.037 0.024 0.000 0.616 151 A CB -0.819 18.208 19.000 0.046 0.000 0.823 151 A HN 0.156 8.137 8.150 0.065 0.209 0.442 152 S N -0.417 115.307 115.700 0.040 0.000 2.383 152 S HA -0.328 4.137 4.470 -0.008 0.000 0.229 152 S C 2.122 176.561 174.600 -0.267 0.000 1.030 152 S CA 3.454 61.644 58.200 -0.016 0.000 1.002 152 S CB -0.140 63.214 63.200 0.257 0.000 0.829 152 S HN 0.329 8.587 8.310 0.111 0.118 0.467 153 L N 2.298 123.361 121.223 -0.268 0.000 1.994 153 L HA -0.350 3.544 4.340 -0.743 0.000 0.208 153 L C 1.295 178.033 176.870 -0.220 0.000 1.071 153 L CA 3.340 57.944 54.840 -0.394 0.000 0.745 153 L CB -0.191 41.717 42.059 -0.252 0.000 0.892 153 L HN -0.254 7.822 8.230 -0.103 0.092 0.431 154 E N -1.161 118.962 120.200 -0.127 0.000 2.118 154 E HA -0.423 3.873 4.350 -0.090 0.000 0.195 154 E C 2.382 178.937 176.600 -0.074 0.000 0.992 154 E CA 2.891 59.239 56.400 -0.085 0.000 0.804 154 E CB -0.464 29.204 29.700 -0.053 0.000 0.741 154 E HN -0.339 7.962 8.360 -0.098 0.000 0.458 155 R N -1.147 119.303 120.500 -0.084 0.000 2.073 155 R HA -0.265 4.035 4.340 -0.067 0.000 0.234 155 R C 2.595 178.844 176.300 -0.085 0.000 1.134 155 R CA 3.294 59.345 56.100 -0.082 0.000 0.952 155 R CB -0.251 29.998 30.300 -0.086 0.000 0.850 155 R HN -0.356 7.755 8.270 -0.095 0.102 0.433 156 F N 0.635 120.427 119.950 -0.265 0.000 2.171 156 F HA -0.291 4.122 4.527 -0.189 0.000 0.300 156 F C 1.591 177.275 175.800 -0.192 0.000 1.090 156 F CA 2.843 60.688 58.000 -0.257 0.000 1.293 156 F CB 0.017 38.755 39.000 -0.437 0.000 1.013 156 F HN -0.116 8.065 8.300 -0.077 0.073 0.486 157 Q N -0.293 119.545 119.800 0.064 0.000 2.112 157 Q HA -0.438 3.907 4.340 0.007 0.000 0.206 157 Q C 1.721 177.721 176.000 0.000 0.000 0.987 157 Q CA 3.567 59.370 55.803 -0.001 0.000 0.858 157 Q CB -0.408 28.288 28.738 -0.072 0.000 0.905 157 Q HN 0.219 8.385 8.270 -0.013 0.095 0.420 158 A N -2.306 120.500 122.820 -0.023 0.000 1.930 158 A HA -0.081 4.223 4.320 -0.027 0.000 0.215 158 A C 1.781 179.337 177.584 -0.047 0.000 1.176 158 A CA 2.181 54.197 52.037 -0.035 0.000 0.632 158 A CB -0.855 18.119 19.000 -0.044 0.000 0.819 158 A HN -0.680 7.360 8.150 -0.034 0.089 0.445 159 A N -0.815 121.956 122.820 -0.083 0.000 1.933 159 A HA -0.357 3.885 4.320 -0.131 0.000 0.218 159 A C 1.882 179.411 177.584 -0.091 0.000 1.175 159 A CA 2.630 54.574 52.037 -0.154 0.000 0.628 159 A CB -0.587 18.200 19.000 -0.356 0.000 0.814 159 A HN -0.195 7.814 8.150 -0.086 0.088 0.444 160 M N -1.064 118.548 119.600 0.021 0.000 2.080 160 M HA -0.439 4.114 4.480 0.121 0.000 0.260 160 M C 2.224 178.543 176.300 0.032 0.000 1.068 160 M CA 4.027 59.382 55.300 0.092 0.000 1.109 160 M CB -0.062 32.624 32.600 0.143 0.000 1.342 160 M HN 0.481 8.699 8.290 0.075 0.117 0.405 161 L N -2.156 119.074 121.223 0.012 0.000 2.081 161 L HA -0.300 4.046 4.340 0.010 0.000 0.212 161 L C 2.547 179.413 176.870 -0.006 0.000 1.080 161 L CA 3.069 57.910 54.840 0.002 0.000 0.754 161 L CB -2.188 39.868 42.059 -0.006 0.000 0.893 161 L HN -0.474 7.761 8.230 0.008 0.000 0.433 162 A N -1.308 121.500 122.820 -0.021 0.000 1.972 162 A HA -0.246 4.060 4.320 -0.023 0.000 0.219 162 A C 0.152 177.724 177.584 -0.020 0.000 1.169 162 A CA 2.003 54.022 52.037 -0.029 0.000 0.635 162 A CB -0.688 18.281 19.000 -0.052 0.000 0.810 162 A HN -0.526 7.499 8.150 -0.031 0.107 0.446 163 A N -3.800 119.013 122.820 -0.012 0.000 2.411 163 A HA 0.070 4.387 4.320 -0.005 0.000 0.251 163 A C -1.057 176.537 177.584 0.017 0.000 1.317 163 A CA -0.970 51.068 52.037 0.003 0.000 0.904 163 A CB 0.013 19.022 19.000 0.015 0.000 0.993 163 A HN -0.416 7.567 8.150 -0.010 0.161 0.504 164 D N -3.297 117.110 120.400 0.011 0.000 2.792 164 D HA -0.425 4.296 4.640 0.012 -0.073 0.231 164 D C -1.667 174.649 176.300 0.026 0.000 1.160 164 D CA 1.731 55.740 54.000 0.016 0.000 0.697 164 D CB -0.634 40.174 40.800 0.014 0.000 1.070 164 D HN -0.213 7.970 8.370 0.004 0.190 0.426 165 D N -1.895 118.525 120.400 0.033 0.000 2.473 165 D HA 0.157 4.822 4.640 0.042 0.000 0.226 165 D C -0.405 175.918 176.300 0.039 0.000 1.089 165 D CA -0.706 53.321 54.000 0.044 0.000 0.883 165 D CB 0.736 41.577 40.800 0.067 0.000 1.029 165 D HN -0.317 7.954 8.370 0.032 0.118 0.517 166 D N 2.571 122.993 120.400 0.036 0.000 2.319 166 D HA -0.148 4.509 4.640 0.028 0.000 0.230 166 D C 0.147 176.476 176.300 0.049 0.000 1.094 166 D CA -0.208 53.813 54.000 0.036 0.000 0.856 166 D CB -0.157 40.665 40.800 0.035 0.000 0.915 166 D HN -0.064 8.328 8.370 0.037 0.000 0.517 167 R N -1.487 119.042 120.500 0.049 0.000 2.811 167 R HA -0.236 4.151 4.340 0.078 0.000 0.265 167 R C -0.253 176.087 176.300 0.067 0.000 1.026 167 R CA 0.484 56.621 56.100 0.062 0.000 1.142 167 R CB 0.715 31.041 30.300 0.044 0.000 1.027 167 R HN -0.491 7.713 8.270 0.045 0.093 0.465 168 H N 1.478 120.547 119.070 -0.001 0.000 2.552 168 H HA 0.097 4.647 4.556 -0.011 0.000 0.311 168 H C -0.056 175.255 175.328 -0.027 0.000 1.071 168 H CA -0.262 55.780 56.048 -0.009 0.000 1.307 168 H CB 0.910 30.671 29.762 -0.001 0.000 1.416 168 H HN 0.078 8.465 8.280 0.179 0.000 0.464 169 I N 7.000 127.400 120.570 -0.282 0.000 2.828 169 I HA -0.268 3.800 4.170 -0.169 0.000 0.292 169 I C -0.004 176.088 176.117 -0.042 0.000 1.206 169 I CA 1.917 63.099 61.300 -0.197 0.000 1.420 169 I CB 0.627 38.467 38.000 -0.266 0.000 1.368 169 I HN 0.583 8.504 8.210 -0.481 0.000 0.556 170 T N 11.096 125.645 114.554 -0.008 0.000 3.015 170 T HA 0.068 4.480 4.350 0.102 0.000 0.250 170 T C 0.381 175.108 174.700 0.044 0.000 1.057 170 T CA 0.008 62.141 62.100 0.055 0.000 1.066 170 T CB 0.576 69.480 68.868 0.061 0.000 0.959 170 T HN 0.534 8.743 8.240 -0.051 0.000 0.488 171 T N 5.401 119.966 114.554 0.017 0.000 2.908 171 T HA -0.118 4.572 4.350 0.107 -0.275 0.301 171 T C -0.326 174.400 174.700 0.044 0.000 1.019 171 T CA 2.621 64.760 62.100 0.066 0.000 1.152 171 T CB 0.102 69.025 68.868 0.091 0.000 0.966 171 T HN -0.121 8.012 8.240 -0.038 0.084 0.540 172 E N 6.266 126.494 120.200 0.048 0.000 2.246 172 E HA 0.366 4.727 4.350 0.019 0.000 0.266 172 E C -1.607 174.973 176.600 -0.034 0.000 0.880 172 E CA -1.372 55.037 56.400 0.015 0.000 0.762 172 E CB 2.675 32.386 29.700 0.020 0.000 1.180 172 E HN -0.066 8.328 8.360 0.058 0.000 0.416 173 I N 4.765 125.324 120.570 -0.018 0.000 2.359 173 I HA 0.403 4.643 4.170 -0.149 -0.159 0.294 173 I C -0.180 175.913 176.117 -0.041 0.000 0.987 173 I CA -0.337 60.934 61.300 -0.048 0.000 1.225 173 I CB 1.614 39.638 38.000 0.040 0.000 1.366 173 I HN 0.437 8.652 8.210 0.008 0.000 0.466 174 A N 7.056 129.824 122.820 -0.086 0.000 2.594 174 A HA 0.300 4.663 4.320 0.072 0.000 0.291 174 A C -2.712 174.996 177.584 0.206 0.000 1.105 174 A CA -1.327 50.753 52.037 0.072 0.000 0.694 174 A CB 2.641 21.724 19.000 0.139 0.000 1.291 174 A HN 0.252 8.241 8.150 -0.268 0.000 0.410 175 N N -0.466 118.354 118.700 0.201 0.000 2.353 175 N HA -0.316 4.523 4.740 0.166 0.000 0.248 175 N C 0.577 176.268 175.510 0.302 0.000 1.240 175 N CA 0.526 53.694 53.050 0.196 0.000 0.862 175 N CB 0.511 39.068 38.487 0.116 0.000 1.086 175 N HN 0.160 8.630 8.380 0.150 0.000 0.453 176 A N 4.776 127.737 122.820 0.234 0.000 2.566 176 A HA -0.086 4.375 4.320 0.235 0.000 0.245 176 A C -0.392 177.151 177.584 -0.069 0.000 1.056 176 A CA 0.915 53.022 52.037 0.117 0.000 0.757 176 A CB 0.469 19.496 19.000 0.046 0.000 0.979 176 A HN 0.182 8.437 8.150 0.174 0.000 0.508 177 T N 0.974 115.333 114.554 -0.324 0.000 2.936 177 T HA 0.236 4.502 4.350 -0.141 0.000 0.282 177 T C -1.590 172.973 174.700 -0.228 0.000 1.003 177 T CA -3.265 58.678 62.100 -0.262 0.000 1.005 177 T CB 0.289 68.956 68.868 -0.336 0.000 1.097 177 T HN -0.441 7.370 8.240 -0.715 0.000 0.532 178 P HA 0.137 4.437 4.420 -0.201 0.000 0.244 178 P C -1.544 175.525 177.300 -0.385 0.000 1.769 178 P CA -0.885 62.058 63.100 -0.263 0.000 1.102 178 P CB -1.621 29.910 31.700 -0.283 0.000 1.937 179 F N 5.057 124.764 119.950 -0.405 0.000 2.553 179 F HA -0.252 4.229 4.527 -0.265 -0.113 0.356 179 F C -1.568 173.989 175.800 -0.406 0.000 1.142 179 F CA 0.173 57.959 58.000 -0.356 0.000 1.322 179 F CB 0.835 39.639 39.000 -0.328 0.000 1.126 179 F HN -0.495 7.759 8.300 -0.038 0.024 0.599 180 Y N 5.519 125.184 120.300 -1.060 0.000 2.328 180 Y HA 0.174 4.572 4.550 -0.254 0.000 0.336 180 Y C -1.162 174.007 175.900 -1.217 0.000 0.960 180 Y CA -1.444 56.206 58.100 -0.749 0.000 1.134 180 Y CB 1.970 40.161 38.460 -0.449 0.000 1.166 180 Y HN 0.009 7.622 8.280 -1.112 0.000 0.464 181 Y N 4.384 124.492 120.300 -0.320 0.000 2.712 181 Y HA -0.187 4.550 4.550 0.099 -0.128 0.333 181 Y C 0.317 176.077 175.900 -0.233 0.000 1.225 181 Y CA 2.228 60.279 58.100 -0.083 0.000 1.499 181 Y CB 0.155 38.688 38.460 0.121 0.000 1.288 181 Y HN 0.372 8.950 8.280 0.496 0.000 0.575 182 A N 4.444 127.166 122.820 -0.163 0.000 2.257 182 A HA 0.240 4.426 4.320 -0.223 0.000 0.289 182 A C -0.751 176.849 177.584 0.026 0.000 1.095 182 A CA -1.493 50.415 52.037 -0.214 0.000 0.836 182 A CB 2.088 20.758 19.000 -0.550 0.000 1.111 182 A HN 0.871 8.823 8.150 -0.143 0.112 0.497 183 E N -1.516 118.749 120.200 0.109 0.000 2.458 183 E HA -0.280 4.117 4.350 0.078 0.000 0.264 183 E C 1.359 178.017 176.600 0.097 0.000 1.097 183 E CA 0.036 56.508 56.400 0.119 0.000 0.973 183 E CB 0.725 30.519 29.700 0.156 0.000 0.963 183 E HN 0.209 8.666 8.360 0.161 0.000 0.451 184 D N 0.717 121.139 120.400 0.038 0.000 2.144 184 D HA -0.282 4.372 4.640 0.022 0.000 0.200 184 D C 0.286 176.579 176.300 -0.012 0.000 0.978 184 D CA 3.118 57.122 54.000 0.007 0.000 0.833 184 D CB -0.447 40.337 40.800 -0.026 0.000 0.961 184 D HN 0.518 8.901 8.370 0.022 0.000 0.470 185 D N -2.684 117.684 120.400 -0.054 0.000 2.149 185 D HA -0.252 4.311 4.640 -0.129 0.000 0.198 185 D C 1.351 177.621 176.300 -0.050 0.000 0.990 185 D CA 2.358 56.279 54.000 -0.131 0.000 0.839 185 D CB -0.228 40.434 40.800 -0.230 0.000 0.948 185 D HN 0.165 8.499 8.370 -0.053 0.004 0.460 186 H N -3.323 115.872 119.070 0.209 0.000 2.415 186 H HA -0.015 4.909 4.556 0.614 0.000 0.297 186 H C 0.734 176.304 175.328 0.403 0.000 1.048 186 H CA 1.510 57.826 56.048 0.447 0.000 1.365 186 H CB 0.581 30.594 29.762 0.420 0.000 1.421 186 H HN -0.902 7.319 8.280 0.090 0.112 0.533 187 Q N -0.645 119.320 119.800 0.275 0.000 2.264 187 Q HA -0.279 4.168 4.340 0.179 0.000 0.296 187 Q C -0.481 175.549 176.000 0.050 0.000 1.103 187 Q CA 1.304 57.191 55.803 0.139 0.000 0.967 187 Q CB -1.152 27.613 28.738 0.045 0.000 1.090 187 Q HN -0.107 8.085 8.270 0.200 0.198 0.379 188 Q N -0.300 119.533 119.800 0.055 0.000 2.452 188 Q HA -0.491 3.986 4.340 0.029 -0.120 0.318 188 Q C -0.619 175.485 176.000 0.174 0.000 1.386 188 Q CA 0.964 56.706 55.803 -0.100 0.000 0.872 188 Q CB -2.675 25.616 28.738 -0.745 0.000 1.151 188 Q HN 0.304 8.851 8.270 0.162 -0.180 0.417 189 Y N 1.275 121.623 120.300 0.080 0.000 2.163 189 Y HA -0.336 4.075 4.550 -0.231 0.000 0.288 189 Y C 0.907 176.690 175.900 -0.196 0.000 1.136 189 Y CA 3.612 61.552 58.100 -0.266 0.000 1.147 189 Y CB 0.377 38.235 38.460 -1.003 0.000 0.987 189 Y HN -0.526 8.044 8.280 0.484 0.000 0.509 190 L N -2.978 118.420 121.223 0.291 0.000 2.450 190 L HA -0.317 4.224 4.340 0.193 -0.085 0.224 190 L C 1.128 178.023 176.870 0.042 0.000 1.149 190 L CA 1.832 56.783 54.840 0.186 0.000 0.816 190 L CB -1.085 41.097 42.059 0.204 0.000 0.932 190 L HN 0.228 8.702 8.230 0.407 0.000 0.449 191 H N -5.437 113.661 119.070 0.046 0.000 2.448 191 H HA -0.119 4.500 4.556 0.107 0.000 0.292 191 H C 1.004 176.298 175.328 -0.056 0.000 1.035 191 H CA 2.568 58.626 56.048 0.017 0.000 1.349 191 H CB -0.267 29.456 29.762 -0.065 0.000 1.425 191 H HN 0.015 8.468 8.280 0.478 0.113 0.539 192 K N -1.987 118.395 120.400 -0.029 0.000 2.076 192 K HA -0.104 4.166 4.320 -0.083 0.000 0.204 192 K C -0.016 176.505 176.600 -0.131 0.000 1.051 192 K CA 1.693 57.898 56.287 -0.137 0.000 0.949 192 K CB 1.029 33.364 32.500 -0.275 0.000 0.726 192 K HN -0.228 7.861 8.250 -0.061 0.125 0.443 193 N N -1.304 117.301 118.700 -0.159 0.000 2.443 193 N HA 0.386 5.103 4.740 -0.038 0.000 0.269 193 N C -1.521 174.021 175.510 0.052 0.000 0.985 193 N CA -2.500 50.511 53.050 -0.065 0.000 0.921 193 N CB 0.637 39.052 38.487 -0.121 0.000 1.195 193 N HN -0.475 7.778 8.380 -0.212 0.000 0.492 194 P HA 0.089 4.550 4.420 0.067 0.000 0.227 194 P C -0.841 176.517 177.300 0.096 0.000 1.161 194 P CA 1.125 64.308 63.100 0.138 0.000 0.788 194 P CB 0.413 32.235 31.700 0.203 0.000 0.822 195 Y N -3.200 117.110 120.300 0.016 0.000 2.636 195 Y HA 0.055 4.619 4.550 0.023 0.000 0.260 195 Y C 0.566 176.495 175.900 0.049 0.000 1.177 195 Y CA -0.666 57.447 58.100 0.023 0.000 1.209 195 Y CB -0.229 38.237 38.460 0.009 0.000 1.166 195 Y HN -0.561 7.939 8.280 0.412 0.027 0.531 196 G N -1.199 107.721 108.800 0.199 0.000 2.466 196 G HA2 -0.270 3.855 3.960 0.275 0.000 0.279 196 G HA3 -0.270 3.869 3.960 0.298 0.000 0.279 196 G C -1.019 174.043 174.900 0.271 0.000 1.410 196 G CA -0.385 44.873 45.100 0.264 0.000 1.065 196 G HN -0.815 7.399 8.290 0.165 0.175 0.547 197 Y N 0.586 121.016 120.300 0.217 0.000 2.713 197 Y HA -0.160 4.473 4.550 0.138 0.000 0.341 197 Y C -0.374 175.604 175.900 0.130 0.000 1.167 197 Y CA 1.668 59.881 58.100 0.188 0.000 1.503 197 Y CB -0.598 38.044 38.460 0.303 0.000 1.199 197 Y HN -0.029 8.648 8.280 0.662 0.000 0.525 198 C N 4.461 123.811 119.300 0.084 0.000 2.888 198 C HA 0.375 4.888 4.460 0.088 0.000 0.308 198 C C -0.596 174.390 174.990 -0.007 0.000 1.213 198 C CA -1.794 57.254 59.018 0.050 0.000 1.461 198 C CB 3.581 31.334 27.740 0.021 0.000 1.934 198 C HN 0.082 8.290 8.230 -0.037 0.000 0.474 199 G N 3.013 111.813 108.800 0.001 0.000 3.355 199 G HA2 0.025 3.972 3.960 -0.021 0.000 0.198 199 G HA3 0.025 3.974 3.960 -0.018 0.000 0.198 199 G C -0.898 174.008 174.900 0.011 0.000 1.540 199 G CA 0.387 45.481 45.100 -0.010 0.000 0.796 199 G HN 0.101 8.400 8.290 0.015 0.000 0.900 200 I N 0.820 121.404 120.570 0.023 0.000 2.993 200 I HA -0.187 4.030 4.170 0.077 0.000 0.301 200 I C -0.117 176.031 176.117 0.052 0.000 1.229 200 I CA 1.445 62.779 61.300 0.057 0.000 1.435 200 I CB 0.412 38.448 38.000 0.061 0.000 1.328 200 I HN -0.551 7.666 8.210 0.011 0.000 0.584 201 G N 6.502 115.343 108.800 0.068 0.000 2.398 201 G HA2 -0.178 3.817 3.960 0.059 0.000 0.221 201 G HA3 -0.178 3.801 3.960 0.033 0.000 0.221 201 G C -1.097 173.831 174.900 0.046 0.000 1.112 201 G CA -0.189 44.941 45.100 0.051 0.000 0.823 201 G HN 0.550 8.896 8.290 0.094 0.000 0.487 202 G N -0.787 108.051 108.800 0.063 0.000 5.114 202 G HA2 0.109 4.094 3.960 0.041 0.000 0.209 202 G HA3 0.109 4.095 3.960 0.044 0.000 0.209 202 G C -1.509 173.432 174.900 0.067 0.000 1.021 202 G CA 1.045 46.176 45.100 0.052 0.000 0.608 202 G HN -0.139 8.203 8.290 0.086 0.000 0.360 203 I N 1.042 121.663 120.570 0.084 0.000 3.264 203 I HA 0.126 4.353 4.170 0.095 0.000 0.315 203 I C -1.540 174.636 176.117 0.097 0.000 1.154 203 I CA -0.558 60.807 61.300 0.108 0.000 0.962 203 I CB 2.869 40.961 38.000 0.154 0.000 1.265 203 I HN -0.386 7.873 8.210 0.082 0.000 0.463 204 G N 3.363 112.228 108.800 0.109 0.000 2.314 204 G HA2 -0.094 3.909 3.960 0.072 0.000 0.286 204 G HA3 -0.094 3.888 3.960 0.038 0.000 0.286 204 G C -1.208 173.684 174.900 -0.013 0.000 1.270 204 G CA -0.547 44.585 45.100 0.053 0.000 1.277 204 G HN 0.304 8.683 8.290 0.148 0.000 0.635 205 V N 0.509 120.371 119.914 -0.087 0.000 3.096 205 V HA -0.042 4.033 4.120 -0.075 0.000 0.306 205 V C 0.022 176.011 176.094 -0.174 0.000 1.088 205 V CA 0.388 62.590 62.300 -0.162 0.000 1.129 205 V CB 0.726 32.348 31.823 -0.335 0.000 1.014 205 V HN 0.044 8.170 8.190 -0.108 0.000 0.486 206 C N 5.446 124.667 119.300 -0.131 0.000 2.281 206 C HA 0.141 4.534 4.460 -0.112 0.000 0.325 206 C C -0.923 173.994 174.990 -0.122 0.000 1.282 206 C CA -0.981 57.972 59.018 -0.109 0.000 1.640 206 C CB 0.866 28.566 27.740 -0.067 0.000 2.288 206 C HN 0.144 8.311 8.230 -0.106 0.000 0.507 207 L N 5.221 126.367 121.223 -0.129 0.000 2.536 207 L HA 0.170 4.422 4.340 -0.147 0.000 0.294 207 L C -1.598 175.222 176.870 -0.083 0.000 1.257 207 L CA -0.143 54.626 54.840 -0.118 0.000 0.850 207 L CB -0.503 41.494 42.059 -0.104 0.000 1.105 207 L HN 0.103 8.257 8.230 -0.126 0.000 0.517 208 P HA 0.346 4.737 4.420 -0.049 0.000 0.282 208 P C -2.389 174.885 177.300 -0.043 0.000 1.262 208 P CA -1.985 61.084 63.100 -0.052 0.000 0.773 208 P CB -0.241 31.431 31.700 -0.047 0.000 0.879 209 P HA 0.100 4.500 4.420 -0.032 0.000 0.276 209 P C -0.744 176.541 177.300 -0.026 0.000 1.253 209 P CA -0.339 62.742 63.100 -0.031 0.000 0.766 209 P CB 0.728 32.412 31.700 -0.027 0.000 0.845 210 E N 4.265 124.450 120.200 -0.025 0.000 2.122 210 E HA -0.141 4.197 4.350 -0.021 0.000 0.190 210 E C 0.267 176.856 176.600 -0.018 0.000 0.977 210 E CA 0.142 56.529 56.400 -0.021 0.000 0.820 210 E CB 0.417 30.105 29.700 -0.021 0.000 0.770 210 E HN 0.551 8.895 8.360 -0.027 0.000 0.462 211 A N 0.000 122.809 122.820 -0.018 0.000 2.254 211 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 211 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 211 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 211 A HN 0.000 8.138 8.150 -0.020 0.000 0.486