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 2ec4_1_A DATA FIRST_RESID 8 DATA SEQUENCE ENAENEGDAL LQFTAEFSSR YGDCHPVFFI GSLEAAFQEA FYVKARDRKL DATA SEQUENCE LAIYLHHDES VLTNVFCSQM LCAESIVSYL SQNFITWAWD LTKDSNRARF DATA SEQUENCE LTMCNRHFGS VVAQTIRTQK TDQFPLFLII MGKRSSNEVL NVIQGNTTVD DATA SEQUENCE ELMMRLMAAM EIFTAQQQED I 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 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 8 E C 0.000 176.608 176.600 0.014 0.000 1.382 8 E CA 0.000 56.401 56.400 0.001 0.000 0.976 8 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 9 N N 1.245 119.953 118.700 0.014 0.000 2.417 9 N HA -0.069 4.687 4.740 0.028 0.000 0.272 9 N C -0.985 174.549 175.510 0.039 0.000 1.304 9 N CA 0.487 53.553 53.050 0.026 0.000 0.906 9 N CB -0.157 38.344 38.487 0.023 0.000 1.135 9 N HN -0.014 8.371 8.380 0.008 0.000 0.483 10 A N 3.684 126.535 122.820 0.051 0.000 2.610 10 A HA 0.204 4.574 4.320 0.084 0.000 0.291 10 A C -1.560 176.076 177.584 0.087 0.000 1.086 10 A CA -0.155 51.926 52.037 0.074 0.000 0.677 10 A CB 1.679 20.721 19.000 0.070 0.000 1.278 10 A HN -0.036 8.142 8.150 0.047 0.000 0.414 11 E N 0.926 121.199 120.200 0.121 0.000 2.221 11 E HA 0.148 4.553 4.350 0.093 0.000 0.268 11 E C -0.602 176.085 176.600 0.144 0.000 0.933 11 E CA -0.755 55.717 56.400 0.121 0.000 0.809 11 E CB 1.745 31.521 29.700 0.126 0.000 1.190 11 E HN 0.151 8.600 8.360 0.149 0.000 0.406 12 N N 2.386 121.158 118.700 0.118 0.000 2.365 12 N HA -0.083 4.732 4.740 0.125 0.000 0.265 12 N C 0.096 175.710 175.510 0.173 0.000 1.288 12 N CA 0.819 53.945 53.050 0.126 0.000 0.869 12 N CB 0.540 39.083 38.487 0.094 0.000 1.071 12 N HN 0.238 8.675 8.380 0.095 0.000 0.480 13 E N 5.206 125.537 120.200 0.218 0.000 2.045 13 E HA -0.128 4.444 4.350 0.371 0.000 0.190 13 E C 1.753 178.501 176.600 0.247 0.000 0.968 13 E CA 1.898 58.486 56.400 0.313 0.000 0.813 13 E CB 0.050 29.981 29.700 0.385 0.000 0.780 13 E HN 0.594 9.071 8.360 0.195 0.000 0.455 14 G N 0.680 109.613 108.800 0.223 0.000 2.764 14 G HA2 -0.374 3.790 3.960 0.221 0.000 0.219 14 G HA3 -0.374 3.680 3.960 0.157 0.000 0.219 14 G C 1.061 176.034 174.900 0.121 0.000 1.259 14 G CA 2.539 47.748 45.100 0.181 0.000 0.793 14 G HN 0.105 8.529 8.290 0.223 0.000 0.633 15 D N 1.642 122.099 120.400 0.095 0.000 2.126 15 D HA -0.286 4.386 4.640 0.053 0.000 0.190 15 D C 2.016 178.344 176.300 0.046 0.000 1.001 15 D CA 3.442 57.479 54.000 0.062 0.000 0.841 15 D CB -0.366 40.466 40.800 0.053 0.000 0.949 15 D HN 0.101 8.531 8.370 0.101 0.000 0.446 16 A N -0.732 122.119 122.820 0.051 0.000 1.927 16 A HA -0.299 4.011 4.320 -0.016 0.000 0.220 16 A C 2.687 180.246 177.584 -0.041 0.000 1.185 16 A CA 2.833 54.870 52.037 0.000 0.000 0.639 16 A CB -0.647 18.359 19.000 0.010 0.000 0.820 16 A HN -0.614 7.584 8.150 0.081 0.000 0.451 17 L N -2.399 118.816 121.223 -0.013 0.000 2.056 17 L HA -0.406 3.806 4.340 -0.213 0.000 0.207 17 L C 2.346 179.211 176.870 -0.009 0.000 1.078 17 L CA 2.724 57.516 54.840 -0.080 0.000 0.749 17 L CB -0.175 41.858 42.059 -0.043 0.000 0.901 17 L HN 0.085 8.258 8.230 0.058 0.091 0.433 18 L N -0.028 121.211 121.223 0.026 0.000 1.963 18 L HA -0.506 3.859 4.340 0.041 0.000 0.220 18 L C 2.627 179.510 176.870 0.022 0.000 1.076 18 L CA 3.396 58.256 54.840 0.033 0.000 0.772 18 L CB -0.468 41.613 42.059 0.036 0.000 0.892 18 L HN 0.113 8.296 8.230 0.040 0.071 0.435 19 Q N -2.611 117.197 119.800 0.014 0.000 2.156 19 Q HA -0.472 3.862 4.340 -0.008 0.000 0.211 19 Q C 2.637 178.632 176.000 -0.010 0.000 0.995 19 Q CA 3.217 59.019 55.803 -0.001 0.000 0.877 19 Q CB -0.303 28.431 28.738 -0.008 0.000 0.920 19 Q HN -0.344 7.935 8.270 0.014 0.000 0.416 20 F N -0.017 119.832 119.950 -0.168 0.000 2.060 20 F HA -0.255 4.165 4.527 -0.179 0.000 0.295 20 F C 1.089 176.758 175.800 -0.219 0.000 1.120 20 F CA 3.260 61.124 58.000 -0.228 0.000 1.205 20 F CB -0.039 38.744 39.000 -0.362 0.000 0.986 20 F HN -0.820 7.443 8.300 0.096 0.095 0.470 21 T N 1.067 115.629 114.554 0.015 0.000 2.737 21 T HA -0.577 3.592 4.350 -0.302 0.000 0.269 21 T C 2.228 176.870 174.700 -0.097 0.000 1.040 21 T CA 3.940 65.968 62.100 -0.119 0.000 1.142 21 T CB -0.933 67.936 68.868 0.002 0.000 0.861 21 T HN 0.351 8.676 8.240 0.142 0.000 0.456 22 A N 1.449 124.236 122.820 -0.055 0.000 1.877 22 A HA -0.339 3.990 4.320 0.015 0.000 0.216 22 A C 1.859 179.409 177.584 -0.057 0.000 1.186 22 A CA 3.026 55.047 52.037 -0.025 0.000 0.620 22 A CB -0.787 18.204 19.000 -0.014 0.000 0.822 22 A HN 0.337 8.449 8.150 -0.040 0.014 0.443 23 E N -1.229 118.897 120.200 -0.124 0.000 2.015 23 E HA -0.288 4.005 4.350 -0.095 0.000 0.191 23 E C 2.179 178.694 176.600 -0.142 0.000 0.991 23 E CA 2.546 58.861 56.400 -0.141 0.000 0.802 23 E CB -0.071 29.521 29.700 -0.180 0.000 0.759 23 E HN -0.713 7.558 8.360 -0.147 0.000 0.447 24 F N 0.475 120.146 119.950 -0.466 0.000 2.147 24 F HA -0.433 4.045 4.527 -0.082 0.000 0.301 24 F C 1.927 177.682 175.800 -0.074 0.000 1.084 24 F CA 3.340 61.128 58.000 -0.353 0.000 1.268 24 F CB -0.049 38.421 39.000 -0.884 0.000 1.009 24 F HN 0.443 8.473 8.300 -0.449 0.000 0.486 25 S N -0.490 115.281 115.700 0.117 0.000 2.359 25 S HA -0.453 4.310 4.470 0.306 -0.109 0.222 25 S C 1.916 176.543 174.600 0.045 0.000 1.038 25 S CA 3.525 61.818 58.200 0.155 0.000 1.051 25 S CB -0.095 63.199 63.200 0.157 0.000 0.944 25 S HN -0.330 8.002 8.310 0.064 0.017 0.433 26 S N 1.368 117.064 115.700 -0.006 0.000 2.345 26 S HA -0.262 4.202 4.470 -0.011 0.000 0.219 26 S C 1.799 176.342 174.600 -0.095 0.000 1.031 26 S CA 2.925 61.104 58.200 -0.035 0.000 0.984 26 S CB -0.066 63.111 63.200 -0.038 0.000 0.874 26 S HN -0.659 7.646 8.310 -0.010 0.000 0.451 27 R N 0.396 120.811 120.500 -0.143 0.000 2.168 27 R HA -0.372 3.828 4.340 -0.235 0.000 0.242 27 R C 1.953 178.032 176.300 -0.368 0.000 1.123 27 R CA 3.147 59.090 56.100 -0.263 0.000 0.928 27 R CB 0.156 30.275 30.300 -0.302 0.000 0.873 27 R HN 0.061 8.259 8.270 -0.119 0.000 0.434 28 Y N -4.657 115.385 120.300 -0.430 0.000 2.190 28 Y HA -0.044 4.350 4.550 -0.260 0.000 0.290 28 Y C 0.455 176.223 175.900 -0.220 0.000 1.115 28 Y CA 1.158 59.026 58.100 -0.388 0.000 1.107 28 Y CB 0.901 38.933 38.460 -0.712 0.000 1.033 28 Y HN -0.379 7.816 8.280 -0.142 0.000 0.502 29 G N -3.880 104.917 108.800 -0.004 0.000 2.316 29 G HA2 -0.034 3.912 3.960 0.025 0.000 0.296 29 G HA3 -0.034 3.958 3.960 0.054 0.000 0.296 29 G C -1.478 173.506 174.900 0.140 0.000 1.399 29 G CA -0.251 44.879 45.100 0.050 0.000 0.833 29 G HN -0.779 7.469 8.290 -0.070 0.000 0.565 30 D N -1.220 119.254 120.400 0.123 0.000 2.097 30 D HA -0.260 4.517 4.640 0.229 0.000 0.195 30 D C -0.293 176.090 176.300 0.138 0.000 0.989 30 D CA 1.772 55.863 54.000 0.151 0.000 0.827 30 D CB -0.158 40.682 40.800 0.066 0.000 0.966 30 D HN 0.024 8.439 8.370 0.076 0.000 0.456 31 C N 2.579 121.933 119.300 0.089 0.000 2.616 31 C HA -0.163 4.274 4.460 -0.037 0.000 0.402 31 C C -1.008 174.088 174.990 0.176 0.000 1.436 31 C CA 1.942 60.992 59.018 0.052 0.000 1.521 31 C CB -1.245 26.525 27.740 0.050 0.000 2.413 31 C HN -0.070 8.207 8.230 0.079 0.000 0.617 32 H N 4.597 123.725 119.070 0.097 0.000 3.060 32 H HA 0.264 4.886 4.556 0.111 0.000 0.330 32 H C -2.582 172.673 175.328 -0.120 0.000 1.305 32 H CA -2.344 53.762 56.048 0.097 0.000 1.209 32 H CB 0.427 30.410 29.762 0.368 0.000 1.913 32 H HN -0.573 7.563 8.280 -0.241 0.000 0.534 33 P HA 0.013 4.309 4.420 -0.207 0.000 0.271 33 P C -1.388 175.615 177.300 -0.495 0.000 1.220 33 P CA -0.411 62.495 63.100 -0.323 0.000 0.768 33 P CB 0.778 32.252 31.700 -0.376 0.000 0.848 34 V N 2.594 122.355 119.914 -0.255 0.000 2.486 34 V HA -0.270 3.859 4.120 0.015 0.000 0.290 34 V C -0.015 175.983 176.094 -0.160 0.000 0.991 34 V CA 1.126 63.353 62.300 -0.122 0.000 1.142 34 V CB -0.432 31.365 31.823 -0.043 0.000 0.926 34 V HN 0.035 8.110 8.190 -0.191 0.000 0.472 35 F N 7.007 127.036 119.950 0.130 0.000 2.424 35 F HA -0.093 4.496 4.527 0.103 0.000 0.356 35 F C 0.202 176.093 175.800 0.152 0.000 1.110 35 F CA -1.066 56.987 58.000 0.088 0.000 1.161 35 F CB 0.433 39.414 39.000 -0.032 0.000 1.115 35 F HN -0.487 7.912 8.300 0.165 0.000 0.507 36 F N 7.090 127.200 119.950 0.268 0.000 2.571 36 F HA -0.129 4.500 4.527 0.171 0.000 0.384 36 F C -0.902 175.049 175.800 0.252 0.000 1.058 36 F CA 0.807 58.949 58.000 0.236 0.000 1.200 36 F CB 0.706 39.858 39.000 0.253 0.000 1.077 36 F HN -0.296 8.337 8.300 0.556 0.000 0.558 37 I N 7.667 128.231 120.570 -0.011 0.000 2.297 37 I HA 0.027 4.347 4.170 0.251 0.000 0.291 37 I C -0.439 175.796 176.117 0.197 0.000 1.033 37 I CA -0.561 60.810 61.300 0.118 0.000 1.253 37 I CB -1.128 36.877 38.000 0.008 0.000 1.396 37 I HN 0.039 8.005 8.210 -0.407 0.000 0.476 38 G N 7.041 116.113 108.800 0.453 0.000 2.398 38 G HA2 -0.160 3.978 3.960 0.296 0.000 0.251 38 G HA3 -0.160 4.173 3.960 0.621 0.000 0.251 38 G C -2.431 172.732 174.900 0.438 0.000 1.277 38 G CA 0.020 45.394 45.100 0.456 0.000 0.927 38 G HN -0.087 8.483 8.290 0.466 0.000 0.477 39 S N 0.182 116.071 115.700 0.315 0.000 2.508 39 S HA 0.331 5.105 4.470 0.263 -0.146 0.284 39 S C 1.214 175.830 174.600 0.026 0.000 1.192 39 S CA -2.434 55.883 58.200 0.195 0.000 1.070 39 S CB 0.992 64.263 63.200 0.118 0.000 1.004 39 S HN -0.089 8.404 8.310 0.306 0.000 0.493 40 L N 7.997 129.164 121.223 -0.095 0.000 2.103 40 L HA -0.387 3.367 4.340 -0.978 0.000 0.215 40 L C 0.903 177.584 176.870 -0.316 0.000 1.080 40 L CA 3.444 57.959 54.840 -0.542 0.000 0.764 40 L CB 0.223 41.855 42.059 -0.712 0.000 0.890 40 L HN 0.696 9.502 8.230 0.055 -0.542 0.435 41 E N -2.208 117.874 120.200 -0.198 0.000 2.086 41 E HA -0.472 3.729 4.350 -0.247 0.000 0.200 41 E C 2.088 178.637 176.600 -0.085 0.000 1.012 41 E CA 3.178 59.492 56.400 -0.143 0.000 0.812 41 E CB -0.965 28.695 29.700 -0.066 0.000 0.743 41 E HN -0.135 8.118 8.360 -0.153 0.015 0.453 42 A N -1.553 121.198 122.820 -0.115 0.000 1.898 42 A HA -0.180 4.108 4.320 -0.052 0.000 0.216 42 A C 1.851 179.197 177.584 -0.396 0.000 1.181 42 A CA 2.840 54.787 52.037 -0.151 0.000 0.620 42 A CB -0.974 18.006 19.000 -0.035 0.000 0.819 42 A HN 0.079 8.073 8.150 -0.090 0.102 0.442 43 A N -2.990 119.451 122.820 -0.632 0.000 2.084 43 A HA -0.244 3.448 4.320 -1.048 0.000 0.221 43 A C 0.728 177.873 177.584 -0.732 0.000 1.161 43 A CA 2.586 54.123 52.037 -0.834 0.000 0.653 43 A CB -0.630 17.805 19.000 -0.940 0.000 0.802 43 A HN -0.465 7.267 8.150 -0.557 0.083 0.457 44 F N -4.242 115.346 119.950 -0.604 0.000 2.222 44 F HA -0.092 3.898 4.527 -0.895 0.000 0.285 44 F C 1.743 177.169 175.800 -0.623 0.000 1.068 44 F CA 3.137 60.735 58.000 -0.670 0.000 1.265 44 F CB 0.958 39.670 39.000 -0.479 0.000 1.087 44 F HN -0.831 7.208 8.300 -0.140 0.177 0.511 45 Q N -0.139 119.607 119.800 -0.090 0.000 2.096 45 Q HA -0.390 4.005 4.340 0.091 0.000 0.204 45 Q C 1.826 177.797 176.000 -0.048 0.000 0.982 45 Q CA 2.754 58.612 55.803 0.093 0.000 0.850 45 Q CB -0.644 28.271 28.738 0.294 0.000 0.901 45 Q HN -0.450 7.824 8.270 0.007 0.000 0.422 46 E N -1.848 118.261 120.200 -0.151 0.000 2.472 46 E HA -0.163 4.164 4.350 -0.039 0.000 0.200 46 E C -0.326 176.128 176.600 -0.245 0.000 1.046 46 E CA 1.555 57.873 56.400 -0.136 0.000 0.871 46 E CB 0.273 29.904 29.700 -0.115 0.000 0.806 46 E HN 0.095 8.225 8.360 -0.194 0.114 0.533 47 A N -2.023 120.521 122.820 -0.459 0.000 1.938 47 A HA -0.024 4.030 4.320 -0.444 0.000 0.207 47 A C 1.183 178.472 177.584 -0.492 0.000 1.292 47 A CA 2.405 54.062 52.037 -0.634 0.000 0.700 47 A CB 0.635 18.968 19.000 -1.111 0.000 0.947 47 A HN -0.154 7.458 8.150 -0.518 0.227 0.476 48 F N -4.039 115.718 119.950 -0.323 0.000 2.315 48 F HA 0.059 4.414 4.527 -0.287 0.000 0.284 48 F C 1.933 177.629 175.800 -0.172 0.000 1.049 48 F CA 0.762 58.566 58.000 -0.327 0.000 1.323 48 F CB 0.468 39.180 39.000 -0.481 0.000 1.113 48 F HN 0.273 8.078 8.300 -0.825 0.000 0.544 49 Y N -3.475 116.894 120.300 0.116 0.000 2.619 49 Y HA -0.199 4.398 4.550 0.079 0.000 0.308 49 Y C 0.235 176.147 175.900 0.020 0.000 1.192 49 Y CA 0.020 58.157 58.100 0.062 0.000 1.319 49 Y CB -1.139 37.346 38.460 0.042 0.000 1.030 49 Y HN -0.767 7.350 8.280 -0.272 0.000 0.517 50 V N -2.730 117.245 119.914 0.102 0.000 3.385 50 V HA -0.181 3.976 4.120 0.061 0.000 0.301 50 V C -0.442 175.688 176.094 0.060 0.000 1.082 50 V CA -0.054 62.276 62.300 0.049 0.000 1.085 50 V CB 1.289 33.098 31.823 -0.023 0.000 1.152 50 V HN -0.765 7.324 8.190 0.040 0.125 0.465 51 K N 2.920 123.344 120.400 0.041 0.000 2.491 51 K HA -0.220 4.129 4.320 0.048 0.000 0.279 51 K C 0.834 177.460 176.600 0.043 0.000 1.026 51 K CA 1.187 57.498 56.287 0.041 0.000 1.070 51 K CB 0.399 32.916 32.500 0.029 0.000 0.887 51 K HN 0.408 8.678 8.250 0.032 0.000 0.481 52 A N 4.478 127.331 122.820 0.054 0.000 2.104 52 A HA -0.284 4.085 4.320 0.082 0.000 0.223 52 A C 0.732 178.348 177.584 0.054 0.000 1.164 52 A CA 2.740 54.815 52.037 0.064 0.000 0.659 52 A CB -0.203 18.833 19.000 0.059 0.000 0.808 52 A HN 0.484 8.667 8.150 0.054 0.000 0.465 53 R N -3.598 116.924 120.500 0.037 0.000 2.105 53 R HA -0.004 4.357 4.340 0.035 0.000 0.214 53 R C 0.320 176.630 176.300 0.016 0.000 1.091 53 R CA 1.162 57.279 56.100 0.029 0.000 1.007 53 R CB -0.059 30.255 30.300 0.022 0.000 0.912 53 R HN -0.154 8.071 8.270 0.034 0.065 0.450 54 D N -0.412 119.993 120.400 0.008 0.000 2.325 54 D HA -0.001 4.629 4.640 -0.017 0.000 0.234 54 D C -0.872 175.405 176.300 -0.038 0.000 1.122 54 D CA 0.384 54.376 54.000 -0.013 0.000 0.850 54 D CB -0.064 40.731 40.800 -0.007 0.000 0.921 54 D HN -0.228 8.058 8.370 0.015 0.093 0.513 55 R N -1.116 119.369 120.500 -0.024 0.000 2.537 55 R HA -0.281 4.018 4.340 -0.068 0.000 0.281 55 R C -0.283 175.926 176.300 -0.151 0.000 0.988 55 R CA 1.639 57.703 56.100 -0.061 0.000 1.077 55 R CB -0.158 30.147 30.300 0.008 0.000 0.932 55 R HN -0.675 7.479 8.270 0.006 0.119 0.409 56 K N 1.319 121.568 120.400 -0.252 0.000 2.507 56 K HA 0.207 4.300 4.320 -0.378 0.000 0.284 56 K C -2.257 174.036 176.600 -0.511 0.000 1.038 56 K CA -1.257 54.807 56.287 -0.371 0.000 0.903 56 K CB 4.670 36.995 32.500 -0.291 0.000 1.531 56 K HN 0.100 8.206 8.250 -0.239 0.000 0.430 57 L N -2.491 118.288 121.223 -0.741 0.000 2.322 57 L HA 0.290 4.395 4.340 -0.392 0.000 0.269 57 L C -1.659 174.886 176.870 -0.542 0.000 1.012 57 L CA -1.192 53.245 54.840 -0.671 0.000 0.815 57 L CB 2.971 44.508 42.059 -0.871 0.000 1.295 57 L HN 0.183 7.844 8.230 -0.949 0.000 0.438 58 L N -0.283 120.692 121.223 -0.413 0.000 2.344 58 L HA 0.328 4.489 4.340 -0.298 0.000 0.272 58 L C -2.473 174.359 176.870 -0.063 0.000 1.035 58 L CA -1.342 53.280 54.840 -0.363 0.000 0.807 58 L CB 3.506 45.088 42.059 -0.795 0.000 1.237 58 L HN -0.101 7.928 8.230 -0.334 0.000 0.442 59 A N 4.213 127.023 122.820 -0.017 0.000 2.499 59 A HA 0.664 5.130 4.320 -0.060 -0.182 0.280 59 A C -1.779 175.691 177.584 -0.189 0.000 1.135 59 A CA -1.330 50.654 52.037 -0.087 0.000 0.744 59 A CB 2.003 21.033 19.000 0.050 0.000 1.213 59 A HN -0.163 7.958 8.150 -0.047 0.000 0.434 60 I N 4.646 125.141 120.570 -0.126 0.000 2.452 60 I HA -0.110 4.248 4.170 0.313 0.000 0.287 60 I C -1.345 174.730 176.117 -0.069 0.000 1.079 60 I CA 0.277 61.625 61.300 0.080 0.000 1.387 60 I CB 0.591 38.703 38.000 0.186 0.000 1.404 60 I HN 0.050 8.201 8.210 -0.098 0.000 0.522 61 Y N 9.624 129.885 120.300 -0.065 0.000 2.491 61 Y HA 0.262 4.712 4.550 -0.167 0.000 0.334 61 Y C -2.241 173.637 175.900 -0.036 0.000 0.969 61 Y CA -2.141 55.906 58.100 -0.089 0.000 1.241 61 Y CB 1.013 39.478 38.460 0.009 0.000 1.105 61 Y HN 0.580 9.039 8.280 0.298 0.000 0.503 62 L N 8.771 129.770 121.223 -0.373 0.000 2.361 62 L HA -0.062 4.169 4.340 -0.183 0.000 0.278 62 L C -1.347 175.293 176.870 -0.385 0.000 1.113 62 L CA -0.628 54.057 54.840 -0.257 0.000 0.849 62 L CB 0.230 42.280 42.059 -0.014 0.000 1.155 62 L HN -0.200 7.816 8.230 -0.355 0.000 0.452 63 H N 5.497 124.360 119.070 -0.344 0.000 2.581 63 H HA 0.186 4.614 4.556 -0.214 0.000 0.308 63 H C -2.148 173.045 175.328 -0.225 0.000 1.040 63 H CA -1.389 54.537 56.048 -0.204 0.000 1.231 63 H CB 1.593 31.346 29.762 -0.014 0.000 1.396 63 H HN -0.220 7.968 8.280 -0.154 0.000 0.467 64 H N 8.972 127.680 119.070 -0.604 0.000 2.646 64 H HA 0.298 4.608 4.556 -0.411 0.000 0.328 64 H C -0.722 174.339 175.328 -0.445 0.000 0.998 64 H CA -1.262 54.452 56.048 -0.557 0.000 1.225 64 H CB 2.295 31.525 29.762 -0.887 0.000 1.457 64 H HN -0.277 7.731 8.280 -0.453 0.000 0.505 65 D N 7.594 127.965 120.400 -0.049 0.000 2.092 65 D HA -0.322 4.294 4.640 -0.040 0.000 0.193 65 D C 0.667 176.991 176.300 0.040 0.000 0.994 65 D CA 3.298 57.306 54.000 0.012 0.000 0.828 65 D CB 0.619 41.457 40.800 0.063 0.000 0.963 65 D HN -0.213 8.102 8.370 -0.092 0.000 0.450 66 E N -1.800 118.472 120.200 0.121 0.000 2.164 66 E HA -0.326 4.022 4.350 -0.004 0.000 0.206 66 E C 0.377 176.918 176.600 -0.098 0.000 1.032 66 E CA 1.870 58.256 56.400 -0.024 0.000 0.832 66 E CB -0.087 29.536 29.700 -0.128 0.000 0.742 66 E HN -0.254 8.285 8.360 0.299 0.000 0.460 67 S N -2.119 113.487 115.700 -0.156 0.000 2.549 67 S HA -0.133 4.280 4.470 -0.096 0.000 0.286 67 S C 0.690 175.281 174.600 -0.016 0.000 1.314 67 S CA 0.127 58.270 58.200 -0.096 0.000 1.062 67 S CB 0.376 63.532 63.200 -0.074 0.000 0.865 67 S HN -0.399 7.782 8.310 -0.188 0.016 0.498 68 V N 2.260 122.182 119.914 0.013 0.000 2.788 68 V HA -0.023 4.119 4.120 0.036 0.000 0.251 68 V C 0.622 176.766 176.094 0.083 0.000 1.068 68 V CA 1.201 63.525 62.300 0.041 0.000 1.090 68 V CB 0.029 31.872 31.823 0.034 0.000 0.710 68 V HN 0.350 8.545 8.190 0.008 0.000 0.467 69 L N 0.046 121.330 121.223 0.101 0.000 2.068 69 L HA -0.230 4.217 4.340 0.178 0.000 0.204 69 L C 1.789 178.797 176.870 0.231 0.000 1.076 69 L CA 2.746 57.689 54.840 0.173 0.000 0.753 69 L CB -0.487 41.681 42.059 0.181 0.000 0.910 69 L HN -0.707 7.543 8.230 0.078 0.027 0.439 70 T N -0.767 113.876 114.554 0.148 0.000 2.755 70 T HA -0.440 4.017 4.350 0.179 0.000 0.266 70 T C 1.620 176.510 174.700 0.317 0.000 1.041 70 T CA 4.541 66.734 62.100 0.154 0.000 1.147 70 T CB -0.366 68.451 68.868 -0.086 0.000 0.847 70 T HN -0.513 7.779 8.240 0.088 0.000 0.478 71 N N -0.412 118.446 118.700 0.262 0.000 2.083 71 N HA -0.251 4.737 4.740 0.413 0.000 0.190 71 N C 2.083 177.795 175.510 0.337 0.000 1.047 71 N CA 3.070 56.301 53.050 0.302 0.000 0.845 71 N CB -0.552 38.031 38.487 0.160 0.000 1.025 71 N HN -0.567 7.878 8.380 0.183 0.045 0.428 72 V N -1.567 118.501 119.914 0.256 0.000 2.270 72 V HA -0.242 3.992 4.120 0.189 0.000 0.245 72 V C 1.676 177.939 176.094 0.281 0.000 1.043 72 V CA 2.264 64.697 62.300 0.221 0.000 1.014 72 V CB -0.387 31.528 31.823 0.154 0.000 0.645 72 V HN -0.917 7.403 8.190 0.217 0.000 0.447 73 F N 1.215 121.276 119.950 0.184 0.000 2.176 73 F HA -0.468 4.153 4.527 0.157 0.000 0.301 73 F C 1.372 177.317 175.800 0.243 0.000 1.071 73 F CA 4.463 62.584 58.000 0.202 0.000 1.289 73 F CB -0.424 38.715 39.000 0.230 0.000 1.028 73 F HN 0.217 8.675 8.300 0.435 0.103 0.494 74 C N -4.593 115.053 119.300 0.577 0.000 2.462 74 C HA -0.249 4.529 4.460 0.530 0.000 0.278 74 C C 0.939 176.106 174.990 0.296 0.000 1.253 74 C CA 3.164 62.461 59.018 0.465 0.000 1.713 74 C CB -0.402 27.587 27.740 0.415 0.000 2.049 74 C HN -0.555 7.887 8.230 0.566 0.128 0.477 75 S N -4.392 111.478 115.700 0.283 0.000 2.593 75 S HA -0.105 4.471 4.470 0.177 0.000 0.217 75 S C 0.896 175.551 174.600 0.092 0.000 0.966 75 S CA 1.932 60.244 58.200 0.186 0.000 0.914 75 S CB 0.221 63.532 63.200 0.185 0.000 0.776 75 S HN -0.494 8.020 8.310 0.339 0.000 0.523 76 Q N 1.566 121.400 119.800 0.056 0.000 2.263 76 Q HA 0.003 4.332 4.340 -0.019 0.000 0.196 76 Q C 0.959 176.871 176.000 -0.147 0.000 0.965 76 Q CA 2.136 57.912 55.803 -0.044 0.000 0.851 76 Q CB 1.158 29.861 28.738 -0.059 0.000 0.948 76 Q HN 0.400 8.473 8.270 0.109 0.262 0.516 77 M N -3.454 115.964 119.600 -0.303 0.000 2.557 77 M HA 0.127 4.434 4.480 -0.289 0.000 0.262 77 M C 2.101 178.319 176.300 -0.137 0.000 1.168 77 M CA -0.091 54.979 55.300 -0.382 0.000 1.194 77 M CB 0.870 32.885 32.600 -0.974 0.000 1.311 77 M HN -0.048 7.915 8.290 -0.332 0.128 0.489 78 L N -0.735 120.492 121.223 0.006 0.000 2.693 78 L HA -0.152 4.230 4.340 0.071 0.000 0.242 78 L C 0.469 177.404 176.870 0.108 0.000 1.157 78 L CA 1.379 56.283 54.840 0.108 0.000 0.929 78 L CB -1.482 40.700 42.059 0.206 0.000 1.103 78 L HN -0.176 8.071 8.230 0.027 0.000 0.430 79 C N -5.898 113.435 119.300 0.056 0.000 2.700 79 C HA 0.134 4.654 4.460 0.101 0.000 0.297 79 C C 0.013 175.018 174.990 0.025 0.000 1.293 79 C CA -2.148 56.907 59.018 0.061 0.000 1.756 79 C CB 0.452 28.223 27.740 0.052 0.000 2.210 79 C HN -0.223 7.869 8.230 0.007 0.142 0.553 80 A N 1.892 124.709 122.820 -0.006 0.000 2.483 80 A HA -0.007 4.304 4.320 -0.015 0.000 0.238 80 A C 0.452 178.030 177.584 -0.009 0.000 1.070 80 A CA 0.462 52.488 52.037 -0.018 0.000 0.770 80 A CB 1.079 20.053 19.000 -0.044 0.000 1.008 80 A HN -0.706 7.431 8.150 -0.021 0.000 0.497 81 E N 1.821 122.016 120.200 -0.010 0.000 2.140 81 E HA -0.231 4.111 4.350 -0.012 0.000 0.191 81 E C 1.583 178.184 176.600 0.001 0.000 0.973 81 E CA 3.075 59.470 56.400 -0.008 0.000 0.829 81 E CB -0.060 29.634 29.700 -0.009 0.000 0.781 81 E HN 0.335 8.688 8.360 -0.012 0.000 0.466 82 S N 0.559 116.260 115.700 0.002 0.000 2.383 82 S HA -0.242 4.257 4.470 0.049 0.000 0.227 82 S C 1.941 176.561 174.600 0.034 0.000 1.026 82 S CA 3.726 61.940 58.200 0.023 0.000 0.981 82 S CB -0.542 62.657 63.200 -0.001 0.000 0.818 82 S HN 0.086 8.390 8.310 -0.009 0.000 0.472 83 I N -0.321 120.240 120.570 -0.015 0.000 2.202 83 I HA -0.262 3.868 4.170 -0.067 0.000 0.242 83 I C 2.175 178.302 176.117 0.016 0.000 1.091 83 I CA 2.617 63.896 61.300 -0.035 0.000 1.368 83 I CB -1.011 36.944 38.000 -0.075 0.000 1.058 83 I HN -0.176 8.017 8.210 -0.028 0.000 0.410 84 V N -1.969 117.948 119.914 0.005 0.000 2.307 84 V HA -0.474 3.639 4.120 -0.011 0.000 0.245 84 V C 2.086 178.182 176.094 0.003 0.000 1.045 84 V CA 4.414 66.708 62.300 -0.010 0.000 1.024 84 V CB -0.524 31.276 31.823 -0.039 0.000 0.651 84 V HN -0.692 7.495 8.190 -0.005 0.000 0.449 85 S N 1.268 116.978 115.700 0.018 0.000 2.356 85 S HA -0.270 4.192 4.470 -0.013 0.000 0.223 85 S C 2.014 176.651 174.600 0.062 0.000 1.032 85 S CA 4.098 62.310 58.200 0.021 0.000 1.005 85 S CB -0.119 63.093 63.200 0.020 0.000 0.867 85 S HN 0.235 8.442 8.310 0.016 0.112 0.449 86 Y N 2.793 123.084 120.300 -0.014 0.000 2.133 86 Y HA -0.296 4.271 4.550 0.027 0.000 0.287 86 Y C 1.778 177.698 175.900 0.033 0.000 1.134 86 Y CA 3.384 61.487 58.100 0.005 0.000 1.133 86 Y CB 0.190 38.634 38.460 -0.027 0.000 0.987 86 Y HN -0.216 8.072 8.280 0.197 0.110 0.502 87 L N -1.584 119.804 121.223 0.276 0.000 2.127 87 L HA -0.399 4.078 4.340 0.228 0.000 0.211 87 L C 2.157 179.155 176.870 0.212 0.000 1.089 87 L CA 3.008 57.978 54.840 0.217 0.000 0.757 87 L CB -0.290 41.856 42.059 0.144 0.000 0.899 87 L HN 0.291 8.537 8.230 0.219 0.115 0.434 88 S N -0.903 114.862 115.700 0.108 0.000 2.371 88 S HA -0.153 4.414 4.470 0.094 -0.041 0.221 88 S C 2.016 176.648 174.600 0.052 0.000 1.036 88 S CA 2.355 60.595 58.200 0.066 0.000 0.965 88 S CB 0.303 63.499 63.200 -0.007 0.000 0.845 88 S HN -0.274 8.066 8.310 0.083 0.020 0.475 89 Q N 0.596 120.398 119.800 0.004 0.000 1.969 89 Q HA -0.192 4.132 4.340 -0.027 0.000 0.198 89 Q C 1.990 177.946 176.000 -0.074 0.000 0.978 89 Q CA 2.310 58.082 55.803 -0.051 0.000 0.830 89 Q CB -0.012 28.664 28.738 -0.103 0.000 0.896 89 Q HN 0.183 8.339 8.270 0.004 0.116 0.431 90 N N -1.525 117.079 118.700 -0.160 0.000 2.080 90 N HA -0.201 4.446 4.740 -0.155 0.000 0.189 90 N C 0.391 176.007 175.510 0.178 0.000 1.036 90 N CA 3.471 56.462 53.050 -0.098 0.000 0.846 90 N CB 1.083 39.320 38.487 -0.417 0.000 1.015 90 N HN 0.117 8.237 8.380 -0.262 0.103 0.423 91 F N -3.260 116.685 119.950 -0.008 0.000 2.461 91 F HA 0.317 4.939 4.527 -0.019 -0.107 0.337 91 F C 0.411 176.212 175.800 0.002 0.000 1.079 91 F CA -0.983 57.034 58.000 0.028 0.000 1.032 91 F CB 2.346 41.432 39.000 0.143 0.000 1.327 91 F HN -0.695 7.832 8.300 0.507 0.077 0.491 92 I N 1.291 121.939 120.570 0.130 0.000 2.306 92 I HA 0.097 4.317 4.170 0.083 0.000 0.288 92 I C -0.668 175.535 176.117 0.144 0.000 1.036 92 I CA -1.688 59.643 61.300 0.052 0.000 1.221 92 I CB -1.071 36.830 38.000 -0.164 0.000 1.385 92 I HN 0.304 8.572 8.210 0.097 0.000 0.472 93 T N 10.272 124.939 114.554 0.188 0.000 2.779 93 T HA -0.021 4.462 4.350 0.221 0.000 0.296 93 T C -1.490 173.426 174.700 0.361 0.000 0.938 93 T CA 1.346 63.571 62.100 0.207 0.000 1.119 93 T CB -0.007 68.884 68.868 0.038 0.000 0.891 93 T HN 0.424 8.763 8.240 0.166 0.000 0.526 94 W N 8.631 130.020 121.300 0.148 0.000 3.042 94 W HA 0.327 5.142 4.660 0.257 0.000 0.337 94 W C -3.199 173.424 176.519 0.173 0.000 1.086 94 W CA -0.201 57.244 57.345 0.166 0.000 1.236 94 W CB 4.031 33.508 29.460 0.029 0.000 1.381 94 W HN -0.200 8.191 8.180 0.352 0.000 0.472 95 A N 6.998 129.535 122.820 -0.471 0.000 2.340 95 A HA 0.687 5.133 4.320 -0.117 -0.196 0.331 95 A C -2.065 174.913 177.584 -1.010 0.000 1.140 95 A CA -1.614 50.087 52.037 -0.559 0.000 0.801 95 A CB 2.845 21.385 19.000 -0.766 0.000 1.234 95 A HN 0.186 7.948 8.150 -0.647 0.000 0.469 96 W N 2.707 123.484 121.300 -0.872 0.000 2.802 96 W HA 0.225 4.347 4.660 -0.897 0.000 0.331 96 W C -2.291 173.920 176.519 -0.513 0.000 1.021 96 W CA -0.713 56.174 57.345 -0.764 0.000 1.259 96 W CB 2.699 31.867 29.460 -0.486 0.000 1.323 96 W HN 0.047 8.036 8.180 -0.318 0.000 0.432 97 D N 7.684 127.465 120.400 -1.032 0.000 2.344 97 D HA 0.017 4.386 4.640 -0.453 0.000 0.253 97 D C 0.059 175.893 176.300 -0.776 0.000 1.255 97 D CA 0.318 53.881 54.000 -0.728 0.000 0.894 97 D CB -0.570 39.891 40.800 -0.565 0.000 1.067 97 D HN 0.275 7.920 8.370 -1.209 0.000 0.492 98 L N -1.084 119.828 121.223 -0.518 0.000 2.910 98 L HA 0.462 4.599 4.340 -0.339 0.000 0.252 98 L C 0.385 176.966 176.870 -0.481 0.000 1.195 98 L CA -0.717 53.895 54.840 -0.380 0.000 1.003 98 L CB 0.010 41.962 42.059 -0.178 0.000 1.328 98 L HN -0.609 7.356 8.230 -0.441 0.000 0.540 99 T N 1.555 115.790 114.554 -0.532 0.000 2.536 99 T HA -0.441 3.226 4.350 -1.139 0.000 0.263 99 T C 0.494 174.981 174.700 -0.354 0.000 1.115 99 T CA 3.441 65.189 62.100 -0.586 0.000 1.180 99 T CB -0.257 68.442 68.868 -0.282 0.000 0.864 99 T HN -0.115 7.791 8.240 -0.433 0.074 0.419 100 K N 0.397 120.671 120.400 -0.211 0.000 2.414 100 K HA -0.176 4.092 4.320 -0.086 0.000 0.272 100 K C 1.154 177.703 176.600 -0.084 0.000 0.993 100 K CA 0.002 56.220 56.287 -0.115 0.000 0.964 100 K CB 0.950 33.397 32.500 -0.088 0.000 0.925 100 K HN -0.057 8.065 8.250 -0.214 0.000 0.487 101 D N 4.595 124.975 120.400 -0.034 0.000 2.106 101 D HA -0.402 4.245 4.640 0.011 0.000 0.191 101 D C 1.812 178.126 176.300 0.022 0.000 0.997 101 D CA 3.991 57.993 54.000 0.004 0.000 0.834 101 D CB -0.706 40.105 40.800 0.017 0.000 0.956 101 D HN 0.508 8.862 8.370 -0.027 0.000 0.448 102 S N -0.147 115.562 115.700 0.015 0.000 2.390 102 S HA -0.367 4.132 4.470 0.047 0.000 0.234 102 S C 2.409 177.054 174.600 0.076 0.000 1.063 102 S CA 3.452 61.675 58.200 0.037 0.000 1.108 102 S CB -0.530 62.681 63.200 0.019 0.000 0.975 102 S HN 0.196 8.507 8.310 0.001 0.000 0.442 103 N N 0.431 119.159 118.700 0.045 0.000 2.171 103 N HA -0.244 4.637 4.740 0.234 0.000 0.184 103 N C 1.788 177.431 175.510 0.222 0.000 1.021 103 N CA 3.024 56.147 53.050 0.122 0.000 0.854 103 N CB -0.101 38.323 38.487 -0.105 0.000 0.994 103 N HN -0.634 7.741 8.380 -0.016 -0.004 0.426 104 R N 0.654 121.214 120.500 0.100 0.000 2.122 104 R HA -0.481 3.940 4.340 0.135 0.000 0.236 104 R C 1.786 178.219 176.300 0.221 0.000 1.129 104 R CA 3.471 59.651 56.100 0.133 0.000 0.925 104 R CB 0.046 30.384 30.300 0.064 0.000 0.850 104 R HN -0.009 8.204 8.270 0.016 0.068 0.431 105 A N -2.462 120.454 122.820 0.160 0.000 1.865 105 A HA -0.320 4.082 4.320 0.136 0.000 0.217 105 A C 2.098 179.782 177.584 0.167 0.000 1.191 105 A CA 2.953 55.076 52.037 0.142 0.000 0.623 105 A CB -0.986 18.072 19.000 0.096 0.000 0.826 105 A HN -0.028 8.194 8.150 0.120 0.000 0.444 106 R N -1.172 119.446 120.500 0.196 0.000 2.168 106 R HA -0.469 3.952 4.340 0.135 0.000 0.242 106 R C 2.195 178.607 176.300 0.188 0.000 1.123 106 R CA 3.386 59.609 56.100 0.205 0.000 0.928 106 R CB -0.275 30.213 30.300 0.313 0.000 0.873 106 R HN -0.790 7.593 8.270 0.189 0.000 0.434 107 F N 0.225 120.263 119.950 0.148 0.000 2.063 107 F HA -0.389 4.075 4.527 -0.104 0.000 0.298 107 F C 1.333 177.139 175.800 0.010 0.000 1.109 107 F CA 3.514 61.533 58.000 0.032 0.000 1.212 107 F CB -0.186 38.888 39.000 0.123 0.000 0.973 107 F HN -0.414 8.214 8.300 0.545 0.000 0.480 108 L N -1.698 119.569 121.223 0.073 0.000 2.021 108 L HA -0.630 3.601 4.340 -0.183 0.000 0.215 108 L C 2.414 179.198 176.870 -0.144 0.000 1.074 108 L CA 3.576 58.379 54.840 -0.062 0.000 0.760 108 L CB -0.551 41.565 42.059 0.096 0.000 0.889 108 L HN -0.427 8.014 8.230 0.351 0.000 0.433 109 T N 0.947 115.462 114.554 -0.065 0.000 2.708 109 T HA -0.450 3.867 4.350 -0.054 0.000 0.266 109 T C 2.333 176.965 174.700 -0.113 0.000 1.037 109 T CA 4.586 66.648 62.100 -0.064 0.000 1.146 109 T CB -0.171 68.686 68.868 -0.018 0.000 0.865 109 T HN 0.090 8.250 8.240 0.000 0.080 0.435 110 M N 1.422 120.936 119.600 -0.144 0.000 2.059 110 M HA -0.502 3.933 4.480 -0.075 0.000 0.259 110 M C 2.056 178.298 176.300 -0.096 0.000 1.072 110 M CA 4.741 59.978 55.300 -0.104 0.000 1.117 110 M CB -0.327 32.211 32.600 -0.104 0.000 1.320 110 M HN -0.154 7.979 8.290 -0.139 0.074 0.408 111 C N -2.043 117.045 119.300 -0.353 0.000 2.413 111 C HA -0.446 4.047 4.460 0.055 0.000 0.276 111 C C 2.178 177.125 174.990 -0.072 0.000 1.248 111 C CA 4.955 63.790 59.018 -0.305 0.000 1.742 111 C CB -1.210 25.992 27.740 -0.895 0.000 2.017 111 C HN 0.496 8.348 8.230 -0.630 0.000 0.481 112 N N -0.404 118.218 118.700 -0.130 0.000 2.096 112 N HA -0.342 4.525 4.740 -0.044 -0.154 0.195 112 N C 1.329 176.819 175.510 -0.032 0.000 1.017 112 N CA 3.246 56.258 53.050 -0.062 0.000 0.870 112 N CB -0.002 38.446 38.487 -0.065 0.000 1.024 112 N HN 0.218 8.363 8.380 -0.201 0.115 0.434 113 R N -2.800 117.660 120.500 -0.067 0.000 2.051 113 R HA -0.099 4.194 4.340 -0.078 0.000 0.218 113 R C 2.505 178.757 176.300 -0.080 0.000 1.188 113 R CA 2.103 58.138 56.100 -0.108 0.000 0.992 113 R CB 0.306 30.480 30.300 -0.210 0.000 0.883 113 R HN -0.627 7.578 8.270 -0.092 0.009 0.444 114 H N -1.020 118.019 119.070 -0.051 0.000 2.292 114 H HA -0.300 4.127 4.556 -0.215 0.000 0.292 114 H C 1.854 177.112 175.328 -0.117 0.000 1.100 114 H CA 3.609 59.588 56.048 -0.116 0.000 1.238 114 H CB 0.279 29.989 29.762 -0.087 0.000 1.355 114 H HN -0.176 7.995 8.280 -0.181 0.000 0.484 115 F N -3.948 116.000 119.950 -0.003 0.000 2.289 115 F HA 0.501 5.307 4.527 0.017 -0.269 0.280 115 F C 1.214 177.001 175.800 -0.021 0.000 1.045 115 F CA 0.890 58.888 58.000 -0.003 0.000 1.236 115 F CB 1.603 40.604 39.000 0.002 0.000 1.116 115 F HN -0.237 8.317 8.300 0.619 0.118 0.550 116 G N -3.810 105.100 108.800 0.183 0.000 2.337 116 G HA2 -0.064 3.979 3.960 0.038 0.000 0.298 116 G HA3 -0.064 3.942 3.960 0.077 0.000 0.298 116 G C -0.922 174.003 174.900 0.042 0.000 1.335 116 G CA 0.277 45.422 45.100 0.076 0.000 0.875 116 G HN -0.230 8.077 8.290 0.206 0.107 0.579 117 S N 0.338 116.051 115.700 0.022 0.000 2.406 117 S HA -0.054 4.595 4.470 0.001 -0.178 0.224 117 S C 1.940 176.552 174.600 0.020 0.000 1.030 117 S CA 2.664 60.870 58.200 0.011 0.000 0.958 117 S CB -0.092 63.111 63.200 0.005 0.000 0.811 117 S HN 0.302 8.623 8.310 0.020 0.000 0.489 118 V N -0.766 119.165 119.914 0.029 0.000 2.720 118 V HA -0.163 3.973 4.120 0.026 0.000 0.256 118 V C 1.025 177.142 176.094 0.039 0.000 1.082 118 V CA 2.220 64.540 62.300 0.032 0.000 1.101 118 V CB -0.767 31.076 31.823 0.034 0.000 0.693 118 V HN 0.021 8.228 8.190 0.030 0.000 0.479 119 V N 0.940 120.882 119.914 0.048 0.000 2.300 119 V HA -0.280 3.873 4.120 0.054 0.000 0.241 119 V C 1.718 177.820 176.094 0.013 0.000 1.034 119 V CA 1.546 63.873 62.300 0.045 0.000 1.021 119 V CB -1.109 30.762 31.823 0.080 0.000 0.662 119 V HN -0.616 7.562 8.190 0.053 0.043 0.458 120 A N -1.103 121.708 122.820 -0.015 0.000 1.873 120 A HA -0.476 3.834 4.320 -0.015 0.000 0.218 120 A C 2.012 179.620 177.584 0.039 0.000 1.193 120 A CA 3.217 55.247 52.037 -0.012 0.000 0.629 120 A CB -0.875 18.098 19.000 -0.045 0.000 0.826 120 A HN -0.705 7.436 8.150 -0.015 0.000 0.447 121 Q N -2.352 117.466 119.800 0.030 0.000 2.082 121 Q HA -0.390 3.975 4.340 0.041 0.000 0.211 121 Q C 2.284 178.311 176.000 0.045 0.000 1.002 121 Q CA 3.743 59.569 55.803 0.037 0.000 0.868 121 Q CB -0.339 28.415 28.738 0.028 0.000 0.931 121 Q HN -0.282 8.000 8.270 0.020 0.000 0.414 122 T N 0.220 114.797 114.554 0.039 0.000 2.624 122 T HA -0.380 3.987 4.350 0.029 0.000 0.268 122 T C 2.166 176.891 174.700 0.042 0.000 1.041 122 T CA 4.635 66.755 62.100 0.034 0.000 1.159 122 T CB -0.650 68.235 68.868 0.028 0.000 0.863 122 T HN -0.649 7.613 8.240 0.035 -0.001 0.434 123 I N -2.001 118.610 120.570 0.068 0.000 2.185 123 I HA -0.360 3.842 4.170 0.053 0.000 0.246 123 I C 1.611 177.803 176.117 0.126 0.000 1.088 123 I CA 1.924 63.289 61.300 0.107 0.000 1.347 123 I CB -1.726 36.403 38.000 0.214 0.000 1.041 123 I HN -0.446 7.807 8.210 0.071 0.000 0.415 124 R N -2.533 118.032 120.500 0.109 0.000 2.091 124 R HA -0.285 4.128 4.340 0.121 0.000 0.238 124 R C 1.201 177.547 176.300 0.075 0.000 1.136 124 R CA 2.854 59.013 56.100 0.098 0.000 0.959 124 R CB 0.190 30.535 30.300 0.075 0.000 0.856 124 R HN -0.341 7.878 8.270 0.097 0.109 0.437 125 T N -3.710 110.877 114.554 0.054 0.000 2.777 125 T HA -0.203 4.169 4.350 0.037 0.000 0.266 125 T C 0.997 175.716 174.700 0.032 0.000 1.040 125 T CA 1.846 63.968 62.100 0.037 0.000 1.141 125 T CB -0.036 68.847 68.868 0.025 0.000 0.868 125 T HN -0.577 7.606 8.240 0.052 0.088 0.444 126 Q N 2.667 122.481 119.800 0.023 0.000 2.275 126 Q HA -0.219 4.105 4.340 -0.026 0.000 0.293 126 Q C 0.004 176.029 176.000 0.042 0.000 1.129 126 Q CA 0.888 56.684 55.803 -0.011 0.000 0.971 126 Q CB -0.213 28.466 28.738 -0.098 0.000 1.098 126 Q HN -0.219 8.067 8.270 0.027 0.000 0.386 127 K N 4.227 124.643 120.400 0.027 0.000 2.218 127 K HA -0.208 4.141 4.320 0.048 0.000 0.250 127 K C 1.491 178.169 176.600 0.130 0.000 1.024 127 K CA 1.034 57.352 56.287 0.051 0.000 0.842 127 K CB 0.274 32.787 32.500 0.022 0.000 1.041 127 K HN 0.092 8.344 8.250 0.002 0.000 0.522 128 T N 0.747 115.346 114.554 0.075 0.000 2.894 128 T HA -0.156 4.300 4.350 0.177 0.000 0.258 128 T C 1.421 176.193 174.700 0.119 0.000 1.043 128 T CA 4.137 66.262 62.100 0.042 0.000 1.141 128 T CB 0.033 68.761 68.868 -0.232 0.000 0.873 128 T HN 0.019 8.270 8.240 0.018 0.000 0.449 129 D N 0.776 121.204 120.400 0.046 0.000 2.116 129 D HA -0.235 4.426 4.640 0.034 0.000 0.193 129 D C 1.702 178.043 176.300 0.069 0.000 0.998 129 D CA 3.333 57.361 54.000 0.046 0.000 0.836 129 D CB -0.864 39.952 40.800 0.026 0.000 0.951 129 D HN 0.056 8.438 8.370 0.019 0.000 0.449 130 Q N -3.067 116.754 119.800 0.036 0.000 2.182 130 Q HA -0.338 3.989 4.340 -0.021 0.000 0.213 130 Q C 0.869 176.816 176.000 -0.088 0.000 1.000 130 Q CA 1.853 57.628 55.803 -0.046 0.000 0.889 130 Q CB -0.143 28.516 28.738 -0.132 0.000 0.932 130 Q HN 0.082 8.373 8.270 0.035 0.000 0.415 131 F N -1.402 118.477 119.950 -0.118 0.000 2.628 131 F HA -0.160 4.324 4.527 -0.214 -0.086 0.346 131 F C -0.840 174.831 175.800 -0.215 0.000 1.188 131 F CA 0.196 58.083 58.000 -0.189 0.000 1.376 131 F CB -0.663 38.221 39.000 -0.194 0.000 1.104 131 F HN -0.779 7.546 8.300 0.228 0.111 0.616 132 P HA -0.029 4.435 4.420 0.074 0.000 0.272 132 P C -2.038 175.011 177.300 -0.419 0.000 1.223 132 P CA -0.406 62.497 63.100 -0.327 0.000 0.784 132 P CB 1.047 32.270 31.700 -0.795 0.000 0.923 133 L N -0.168 120.793 121.223 -0.438 0.000 2.272 133 L HA 0.223 4.667 4.340 -0.339 -0.307 0.284 133 L C -0.506 176.264 176.870 -0.165 0.000 1.045 133 L CA -1.178 53.416 54.840 -0.411 0.000 0.842 133 L CB 0.808 42.461 42.059 -0.677 0.000 1.224 133 L HN -0.085 7.988 8.230 -0.262 0.000 0.430 134 F N 6.985 126.856 119.950 -0.131 0.000 2.390 134 F HA 0.346 5.057 4.527 0.062 -0.147 0.361 134 F C -1.948 173.885 175.800 0.055 0.000 1.124 134 F CA -1.439 56.578 58.000 0.028 0.000 1.149 134 F CB 1.501 40.576 39.000 0.126 0.000 1.160 134 F HN -0.390 7.976 8.300 0.111 0.000 0.501 135 L N 6.933 128.178 121.223 0.037 0.000 2.330 135 L HA 0.683 5.310 4.340 0.228 -0.150 0.271 135 L C -1.160 175.828 176.870 0.197 0.000 1.013 135 L CA -1.233 53.698 54.840 0.151 0.000 0.816 135 L CB 2.816 44.932 42.059 0.096 0.000 1.287 135 L HN -0.384 7.702 8.230 -0.239 0.000 0.435 136 I N -1.099 119.639 120.570 0.280 0.000 2.466 136 I HA 0.409 4.912 4.170 0.305 -0.149 0.289 136 I C -1.322 174.945 176.117 0.249 0.000 1.026 136 I CA -0.953 60.533 61.300 0.311 0.000 1.078 136 I CB 2.995 41.228 38.000 0.389 0.000 1.249 136 I HN -0.213 8.152 8.210 0.259 0.000 0.429 137 I N 4.831 125.529 120.570 0.213 0.000 2.493 137 I HA 0.428 4.866 4.170 0.185 -0.158 0.298 137 I C -0.824 175.394 176.117 0.168 0.000 0.998 137 I CA -1.273 60.144 61.300 0.195 0.000 1.137 137 I CB 2.503 40.629 38.000 0.208 0.000 1.310 137 I HN -0.062 8.255 8.210 0.179 0.000 0.445 138 M N 5.545 125.159 119.600 0.022 0.000 2.552 138 M HA 0.079 4.514 4.480 -0.075 0.000 0.264 138 M C -0.108 175.693 176.300 -0.831 0.000 1.159 138 M CA 1.541 56.749 55.300 -0.152 0.000 1.176 138 M CB 2.195 34.772 32.600 -0.038 0.000 1.327 138 M HN -0.184 8.113 8.290 0.010 0.000 0.481 139 G N -1.629 106.653 108.800 -0.863 0.000 3.322 139 G HA2 -0.213 3.280 3.960 -0.779 0.000 0.686 139 G HA3 -0.213 1.596 3.960 -3.585 0.000 0.686 139 G C -2.176 172.295 174.900 -0.716 0.000 1.015 139 G CA -0.440 43.782 45.100 -1.464 0.000 0.826 139 G HN -0.500 7.562 8.290 -0.381 0.000 0.538 140 K N 4.492 124.659 120.400 -0.388 0.000 2.535 140 K HA 0.231 4.431 4.320 -0.200 0.000 0.250 140 K C -0.715 175.817 176.600 -0.113 0.000 0.948 140 K CA -1.660 54.503 56.287 -0.206 0.000 0.796 140 K CB 1.894 34.309 32.500 -0.142 0.000 1.216 140 K HN -0.006 8.048 8.250 -0.328 0.000 0.432 141 R N 5.798 126.268 120.500 -0.050 0.000 2.159 141 R HA -0.376 4.017 4.340 0.089 0.000 0.252 141 R C 1.281 177.580 176.300 -0.001 0.000 1.144 141 R CA 3.155 59.268 56.100 0.022 0.000 0.961 141 R CB -0.224 30.094 30.300 0.031 0.000 0.877 141 R HN 0.460 8.697 8.270 -0.055 0.000 0.444 142 S N -1.152 114.531 115.700 -0.029 0.000 2.343 142 S HA -0.136 4.319 4.470 -0.025 0.000 0.219 142 S C 0.057 174.628 174.600 -0.049 0.000 1.033 142 S CA 2.370 60.549 58.200 -0.034 0.000 1.014 142 S CB 0.231 63.409 63.200 -0.037 0.000 0.915 142 S HN -0.023 8.258 8.310 -0.037 0.007 0.435 143 S N -4.292 111.364 115.700 -0.073 0.000 2.565 143 S HA 0.021 4.430 4.470 -0.102 0.000 0.274 143 S C -2.093 172.416 174.600 -0.152 0.000 1.144 143 S CA -0.352 57.786 58.200 -0.102 0.000 0.849 143 S CB 2.849 66.000 63.200 -0.081 0.000 1.103 143 S HN -0.516 7.747 8.310 -0.078 0.000 0.455 144 N N 2.859 121.415 118.700 -0.241 0.000 2.470 144 N HA 0.023 4.628 4.740 -0.225 0.000 0.268 144 N C -1.354 173.956 175.510 -0.333 0.000 1.136 144 N CA 0.462 53.316 53.050 -0.326 0.000 0.961 144 N CB 0.599 38.783 38.487 -0.505 0.000 1.067 144 N HN -0.039 8.186 8.380 -0.259 0.000 0.468 145 E N 1.381 121.487 120.200 -0.157 0.000 2.288 145 E HA 0.256 4.645 4.350 0.064 0.000 0.268 145 E C -1.964 174.691 176.600 0.092 0.000 0.885 145 E CA -1.355 55.045 56.400 -0.000 0.000 0.767 145 E CB 3.400 33.103 29.700 0.005 0.000 1.220 145 E HN 0.180 8.450 8.360 -0.150 0.000 0.427 146 V N -0.401 119.638 119.914 0.209 0.000 2.834 146 V HA 0.494 4.937 4.120 0.229 -0.186 0.301 146 V C -0.601 175.582 176.094 0.148 0.000 1.066 146 V CA -0.902 61.530 62.300 0.220 0.000 1.052 146 V CB 1.048 33.027 31.823 0.260 0.000 1.021 146 V HN 0.391 8.731 8.190 0.250 0.000 0.480 147 L N 2.334 123.648 121.223 0.151 0.000 2.467 147 L HA 0.257 4.658 4.340 0.102 0.000 0.213 147 L C 0.379 177.323 176.870 0.124 0.000 1.053 147 L CA 0.882 55.797 54.840 0.125 0.000 0.847 147 L CB 0.803 42.941 42.059 0.131 0.000 1.075 147 L HN 0.620 8.957 8.230 0.179 0.000 0.479 148 N N -1.568 117.223 118.700 0.150 0.000 2.235 148 N HA 0.193 4.997 4.740 0.107 0.000 0.293 148 N C -2.531 173.069 175.510 0.150 0.000 1.083 148 N CA -0.416 52.715 53.050 0.136 0.000 0.801 148 N CB 3.201 41.771 38.487 0.137 0.000 1.559 148 N HN -0.717 7.771 8.380 0.180 0.000 0.472 149 V N 3.033 123.014 119.914 0.112 0.000 2.398 149 V HA 0.260 4.458 4.120 0.129 0.000 0.282 149 V C -0.808 175.328 176.094 0.070 0.000 1.014 149 V CA -1.124 61.233 62.300 0.096 0.000 0.838 149 V CB 0.489 32.347 31.823 0.059 0.000 1.018 149 V HN 0.298 8.542 8.190 0.090 0.000 0.432 150 I N 7.249 127.878 120.570 0.099 0.000 2.396 150 I HA 0.061 4.262 4.170 0.052 0.000 0.292 150 I C 0.418 176.545 176.117 0.016 0.000 0.999 150 I CA -0.495 60.848 61.300 0.072 0.000 1.310 150 I CB 0.697 38.762 38.000 0.108 0.000 1.404 150 I HN 0.058 8.365 8.210 0.161 0.000 0.496 151 Q N 6.674 126.470 119.800 -0.007 0.000 1.942 151 Q HA -0.315 3.946 4.340 -0.132 0.000 0.203 151 Q C 0.815 176.769 176.000 -0.078 0.000 0.987 151 Q CA 3.798 59.561 55.803 -0.066 0.000 0.844 151 Q CB 0.310 29.029 28.738 -0.032 0.000 0.911 151 Q HN 0.687 8.965 8.270 0.014 0.000 0.423 152 G N -6.393 102.427 108.800 0.033 0.000 3.609 152 G HA2 -0.134 3.921 3.960 0.111 0.000 0.219 152 G HA3 -0.134 4.077 3.960 -0.019 -0.263 0.219 152 G C -1.325 173.752 174.900 0.295 0.000 0.951 152 G CA -0.179 44.981 45.100 0.099 0.000 0.867 152 G HN 0.193 8.522 8.290 0.066 0.000 0.478 153 N N -1.089 117.711 118.700 0.167 0.000 2.421 153 N HA -0.130 4.725 4.740 0.191 0.000 0.201 153 N C 0.280 175.860 175.510 0.116 0.000 1.198 153 N CA 0.264 53.403 53.050 0.148 0.000 0.838 153 N CB -0.541 37.998 38.487 0.086 0.000 1.011 153 N HN -0.125 8.315 8.380 0.100 0.000 0.463 154 T N 0.223 114.862 114.554 0.142 0.000 2.726 154 T HA -0.187 4.192 4.350 0.048 0.000 0.294 154 T C -0.005 174.709 174.700 0.024 0.000 1.013 154 T CA 1.623 63.769 62.100 0.076 0.000 0.996 154 T CB 0.811 69.726 68.868 0.079 0.000 1.016 154 T HN -0.640 7.602 8.240 0.212 0.125 0.529 155 T N 1.022 115.564 114.554 -0.019 0.000 2.767 155 T HA 0.158 4.467 4.350 -0.069 0.000 0.284 155 T C 0.659 175.298 174.700 -0.101 0.000 0.973 155 T CA -1.854 60.210 62.100 -0.060 0.000 0.996 155 T CB 1.351 70.191 68.868 -0.046 0.000 0.927 155 T HN 0.065 8.595 8.240 -0.014 -0.299 0.456 156 V N 4.870 124.695 119.914 -0.148 0.000 2.357 156 V HA -0.534 3.457 4.120 -0.216 0.000 0.257 156 V C 0.420 176.428 176.094 -0.144 0.000 1.082 156 V CA 3.691 65.887 62.300 -0.174 0.000 1.078 156 V CB -0.034 31.689 31.823 -0.166 0.000 0.663 156 V HN 0.198 8.295 8.190 -0.155 0.000 0.455 157 D N -1.222 119.110 120.400 -0.112 0.000 2.097 157 D HA -0.321 4.251 4.640 -0.113 0.000 0.195 157 D C 2.358 178.591 176.300 -0.111 0.000 0.989 157 D CA 3.790 57.728 54.000 -0.104 0.000 0.827 157 D CB -0.531 40.224 40.800 -0.076 0.000 0.966 157 D HN 0.128 8.410 8.370 -0.099 0.028 0.456 158 E N 0.021 120.165 120.200 -0.093 0.000 2.130 158 E HA -0.351 3.954 4.350 -0.074 0.000 0.196 158 E C 2.585 179.108 176.600 -0.127 0.000 0.998 158 E CA 2.893 59.241 56.400 -0.086 0.000 0.806 158 E CB -0.134 29.533 29.700 -0.055 0.000 0.738 158 E HN -0.028 8.188 8.360 -0.082 0.095 0.459 159 L N -2.232 118.890 121.223 -0.167 0.000 2.042 159 L HA -0.382 3.791 4.340 -0.278 0.000 0.210 159 L C 2.081 178.776 176.870 -0.291 0.000 1.076 159 L CA 2.786 57.469 54.840 -0.260 0.000 0.749 159 L CB -0.596 41.286 42.059 -0.295 0.000 0.893 159 L HN -0.562 7.481 8.230 -0.150 0.098 0.432 160 M N -0.485 118.960 119.600 -0.258 0.000 2.065 160 M HA -0.461 3.774 4.480 -0.408 0.000 0.259 160 M C 1.667 177.807 176.300 -0.267 0.000 1.071 160 M CA 3.355 58.472 55.300 -0.305 0.000 1.109 160 M CB -0.216 32.238 32.600 -0.244 0.000 1.313 160 M HN -0.669 7.396 8.290 -0.215 0.096 0.408 161 M N -1.530 117.967 119.600 -0.172 0.000 2.117 161 M HA -0.394 4.022 4.480 -0.106 0.000 0.262 161 M C 2.124 178.371 176.300 -0.088 0.000 1.065 161 M CA 3.844 59.078 55.300 -0.111 0.000 1.114 161 M CB -0.707 31.850 32.600 -0.071 0.000 1.361 161 M HN -0.662 7.535 8.290 -0.154 0.000 0.408 162 R N -0.693 119.745 120.500 -0.104 0.000 2.091 162 R HA -0.295 4.037 4.340 -0.013 0.000 0.238 162 R C 2.887 179.152 176.300 -0.057 0.000 1.136 162 R CA 2.920 58.981 56.100 -0.064 0.000 0.959 162 R CB -0.540 29.707 30.300 -0.088 0.000 0.856 162 R HN 0.341 8.429 8.270 -0.127 0.106 0.437 163 L N -0.223 120.876 121.223 -0.206 0.000 2.007 163 L HA -0.306 3.875 4.340 -0.264 0.000 0.205 163 L C 2.197 179.056 176.870 -0.018 0.000 1.073 163 L CA 2.904 57.536 54.840 -0.347 0.000 0.744 163 L CB -0.085 41.507 42.059 -0.777 0.000 0.898 163 L HN 0.177 8.136 8.230 -0.270 0.109 0.435 164 M N -2.073 117.471 119.600 -0.094 0.000 2.082 164 M HA -0.486 4.136 4.480 0.236 0.000 0.258 164 M C 2.499 178.890 176.300 0.151 0.000 1.069 164 M CA 3.850 59.192 55.300 0.069 0.000 1.102 164 M CB -0.166 32.398 32.600 -0.061 0.000 1.336 164 M HN 0.039 8.173 8.290 -0.260 0.000 0.404 165 A N -2.103 120.772 122.820 0.091 0.000 1.865 165 A HA -0.370 4.008 4.320 0.096 0.000 0.217 165 A C 1.492 179.180 177.584 0.174 0.000 1.191 165 A CA 3.158 55.260 52.037 0.108 0.000 0.623 165 A CB -1.060 17.980 19.000 0.067 0.000 0.826 165 A HN 0.473 8.524 8.150 0.029 0.116 0.444 166 A N -3.144 119.815 122.820 0.231 0.000 1.997 166 A HA -0.385 4.071 4.320 0.226 0.000 0.221 166 A C 2.251 180.011 177.584 0.293 0.000 1.172 166 A CA 3.101 55.310 52.037 0.287 0.000 0.645 166 A CB -0.866 18.384 19.000 0.418 0.000 0.813 166 A HN -0.372 7.903 8.150 0.208 0.000 0.454 167 M N -2.063 117.732 119.600 0.326 0.000 2.073 167 M HA -0.411 4.203 4.480 0.223 0.000 0.259 167 M C 1.966 178.426 176.300 0.267 0.000 1.079 167 M CA 3.862 59.330 55.300 0.280 0.000 1.131 167 M CB -0.046 32.736 32.600 0.303 0.000 1.316 167 M HN -0.574 7.800 8.290 0.371 0.139 0.415 168 E N 0.388 120.708 120.200 0.201 0.000 2.130 168 E HA -0.269 4.161 4.350 0.133 0.000 0.196 168 E C 2.841 179.512 176.600 0.117 0.000 0.998 168 E CA 2.668 59.153 56.400 0.140 0.000 0.806 168 E CB -0.546 29.216 29.700 0.105 0.000 0.738 168 E HN -0.632 7.848 8.360 0.200 0.000 0.459 169 I N -0.195 120.458 120.570 0.138 0.000 2.202 169 I HA -0.478 3.731 4.170 0.065 0.000 0.242 169 I C 1.686 177.865 176.117 0.104 0.000 1.091 169 I CA 3.574 64.938 61.300 0.106 0.000 1.368 169 I CB -0.175 37.895 38.000 0.118 0.000 1.058 169 I HN 0.277 8.569 8.210 0.162 0.016 0.410 170 F N 1.043 121.012 119.950 0.031 0.000 2.043 170 F HA -0.402 4.119 4.527 -0.011 0.000 0.297 170 F C 1.275 177.072 175.800 -0.005 0.000 1.121 170 F CA 3.420 61.422 58.000 0.002 0.000 1.199 170 F CB -0.286 38.712 39.000 -0.005 0.000 0.968 170 F HN -0.183 8.313 8.300 0.326 0.000 0.478 171 T N -0.766 113.604 114.554 -0.307 0.000 2.685 171 T HA -0.544 3.338 4.350 -0.781 0.000 0.268 171 T C 0.841 175.353 174.700 -0.313 0.000 1.034 171 T CA 3.917 65.771 62.100 -0.409 0.000 1.149 171 T CB -0.538 68.296 68.868 -0.056 0.000 0.860 171 T HN -0.236 8.120 8.240 0.193 0.000 0.449 172 A N -1.524 121.197 122.820 -0.165 0.000 1.929 172 A HA -0.163 4.094 4.320 -0.105 0.000 0.216 172 A C 1.419 178.919 177.584 -0.139 0.000 1.176 172 A CA 2.001 53.970 52.037 -0.113 0.000 0.628 172 A CB -0.277 18.695 19.000 -0.047 0.000 0.816 172 A HN -0.774 7.225 8.150 -0.095 0.094 0.444 173 Q N -1.012 118.693 119.800 -0.158 0.000 2.020 173 Q HA -0.208 4.081 4.340 -0.084 0.000 0.202 173 Q C 1.371 177.259 176.000 -0.187 0.000 0.982 173 Q CA 1.926 57.650 55.803 -0.133 0.000 0.838 173 Q CB 0.537 29.226 28.738 -0.082 0.000 0.899 173 Q HN -0.044 7.941 8.270 -0.152 0.194 0.423 174 Q N -1.316 118.280 119.800 -0.341 0.000 2.474 174 Q HA -0.160 4.055 4.340 -0.208 0.000 0.256 174 Q C -0.766 175.108 176.000 -0.209 0.000 1.048 174 Q CA 0.585 56.201 55.803 -0.311 0.000 0.922 174 Q CB 0.464 28.887 28.738 -0.524 0.000 1.288 174 Q HN -0.207 7.749 8.270 -0.522 0.000 0.484 175 Q N -0.685 119.031 119.800 -0.139 0.000 2.572 175 Q HA 0.138 4.417 4.340 -0.100 0.000 0.284 175 Q C -0.207 175.748 176.000 -0.074 0.000 1.091 175 Q CA -1.387 54.358 55.803 -0.095 0.000 0.840 175 Q CB 2.482 31.180 28.738 -0.068 0.000 1.433 175 Q HN 0.104 8.299 8.270 -0.124 0.000 0.471 176 E N -0.354 119.814 120.200 -0.053 0.000 2.244 176 E HA -0.029 4.299 4.350 -0.036 0.000 0.196 176 E C -0.243 176.341 176.600 -0.026 0.000 0.939 176 E CA 1.354 57.732 56.400 -0.037 0.000 0.884 176 E CB 0.219 29.900 29.700 -0.031 0.000 0.850 176 E HN 0.327 8.657 8.360 -0.051 0.000 0.481 177 D N 1.162 121.546 120.400 -0.027 0.000 2.084 177 D HA -0.091 4.539 4.640 -0.017 0.000 0.196 177 D C 1.208 177.496 176.300 -0.019 0.000 0.985 177 D CA 1.149 55.136 54.000 -0.020 0.000 0.826 177 D CB -0.045 40.743 40.800 -0.020 0.000 0.978 177 D HN 0.043 8.395 8.370 -0.031 0.000 0.456 178 I N 0.000 120.556 120.570 -0.024 0.000 2.984 178 I HA 0.000 4.160 4.170 -0.017 0.000 0.288 178 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 178 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 178 I HN 0.000 8.192 8.210 -0.030 0.000 0.494