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 1mk3_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPASAPDTR ALVADFVGYK LRQKGYVCGA GPGEGPAADP LHQAMRAAGD DATA SEQUENCE EFETRFRRTF SDLAAQLHVT PGSAQQRFTQ VSDELFQGGP NWGRLVAFFV DATA SEQUENCE FGAALCAESV NKEMEVLVGQ VQEWMVAYLE TRLADWIHSS GGWAEFTALY DATA SEQUENCE GDGALEEARR LREGNWASVR LEHHHHHH 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 A HA 0.000 4.328 4.320 0.013 0.000 0.244 1 A C 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.046 52.037 0.014 0.000 0.836 1 A CB 0.000 19.008 19.000 0.013 0.000 0.831 2 T N 3.371 117.936 114.554 0.019 0.000 3.068 2 T HA 0.472 4.837 4.350 0.025 0.000 0.364 2 T C -2.247 172.467 174.700 0.023 0.000 1.161 2 T CA -1.134 60.980 62.100 0.023 0.000 1.155 2 T CB 0.519 69.403 68.868 0.026 0.000 1.060 2 T HN 0.150 8.401 8.240 0.017 0.000 0.513 3 P HA -0.043 4.387 4.420 0.017 0.000 0.269 3 P C -1.015 176.299 177.300 0.022 0.000 1.211 3 P CA -0.420 62.692 63.100 0.020 0.000 0.781 3 P CB 0.659 32.370 31.700 0.018 0.000 0.877 4 A N 0.691 123.522 122.820 0.020 0.000 2.284 4 A HA 0.263 4.598 4.320 0.025 0.000 0.317 4 A C -0.566 177.030 177.584 0.020 0.000 1.120 4 A CA -0.549 51.501 52.037 0.021 0.000 0.900 4 A CB 1.390 20.402 19.000 0.019 0.000 1.319 4 A HN -0.116 8.044 8.150 0.017 0.000 0.494 5 S N -0.336 115.377 115.700 0.022 0.000 2.619 5 S HA 0.193 4.673 4.470 0.016 0.000 0.280 5 S C -0.416 174.197 174.600 0.020 0.000 1.150 5 S CA -0.128 58.084 58.200 0.020 0.000 0.978 5 S CB 1.771 64.985 63.200 0.023 0.000 1.041 5 S HN 0.071 8.395 8.310 0.023 0.000 0.485 6 A N 5.459 128.290 122.820 0.018 0.000 1.901 6 A HA 0.301 4.633 4.320 0.020 0.000 0.210 6 A C -1.207 176.389 177.584 0.021 0.000 1.208 6 A CA 0.639 52.687 52.037 0.019 0.000 0.644 6 A CB -1.336 17.674 19.000 0.017 0.000 0.863 6 A HN 0.496 8.656 8.150 0.015 0.000 0.454 7 P HA 0.124 4.559 4.420 0.025 0.000 0.273 7 P C -1.720 175.597 177.300 0.029 0.000 1.252 7 P CA 0.251 63.365 63.100 0.023 0.000 0.809 7 P CB 0.278 31.988 31.700 0.016 0.000 1.017 8 D N -3.472 116.949 120.400 0.035 0.000 2.490 8 D HA 0.221 4.888 4.640 0.046 0.000 0.232 8 D C 0.540 176.875 176.300 0.058 0.000 1.053 8 D CA -0.712 53.316 54.000 0.046 0.000 0.914 8 D CB 1.969 42.796 40.800 0.046 0.000 1.431 8 D HN -0.172 8.219 8.370 0.035 0.000 0.483 9 T N 2.484 117.084 114.554 0.076 0.000 2.759 9 T HA -0.280 4.138 4.350 0.113 0.000 0.269 9 T C 1.617 176.379 174.700 0.104 0.000 1.042 9 T CA 3.479 65.644 62.100 0.107 0.000 1.140 9 T CB -0.037 68.910 68.868 0.130 0.000 0.864 9 T HN 0.310 8.594 8.240 0.073 0.000 0.455 10 R N 0.729 121.280 120.500 0.085 0.000 2.081 10 R HA -0.327 4.065 4.340 0.087 0.000 0.235 10 R C 1.401 177.748 176.300 0.077 0.000 1.131 10 R CA 3.593 59.741 56.100 0.079 0.000 0.960 10 R CB -0.364 29.975 30.300 0.065 0.000 0.856 10 R HN 0.157 8.460 8.270 0.076 0.012 0.436 11 A N -0.979 121.881 122.820 0.067 0.000 1.883 11 A HA -0.287 4.070 4.320 0.062 0.000 0.217 11 A C 2.188 179.817 177.584 0.075 0.000 1.186 11 A CA 2.938 55.012 52.037 0.063 0.000 0.624 11 A CB -0.739 18.291 19.000 0.049 0.000 0.822 11 A HN -0.648 7.456 8.150 0.062 0.083 0.444 12 L N -2.106 119.160 121.223 0.072 0.000 2.042 12 L HA -0.385 3.991 4.340 0.060 0.000 0.210 12 L C 1.969 178.926 176.870 0.145 0.000 1.076 12 L CA 3.342 58.228 54.840 0.077 0.000 0.749 12 L CB -0.002 42.076 42.059 0.033 0.000 0.893 12 L HN -0.689 7.580 8.230 0.065 0.000 0.432 13 V N -0.477 119.524 119.914 0.146 0.000 2.237 13 V HA -0.606 3.630 4.120 0.192 0.000 0.245 13 V C 2.099 178.286 176.094 0.155 0.000 1.046 13 V CA 4.573 66.965 62.300 0.153 0.000 1.007 13 V CB -0.696 31.190 31.823 0.105 0.000 0.638 13 V HN -0.580 7.592 8.190 0.125 0.093 0.445 14 A N -1.559 121.332 122.820 0.118 0.000 2.032 14 A HA -0.442 3.940 4.320 0.102 0.000 0.221 14 A C 1.737 179.409 177.584 0.147 0.000 1.165 14 A CA 2.960 55.064 52.037 0.112 0.000 0.645 14 A CB -0.835 18.214 19.000 0.083 0.000 0.807 14 A HN 0.099 8.309 8.150 0.101 0.000 0.453 15 D N 0.098 120.592 120.400 0.157 0.000 2.077 15 D HA -0.255 4.463 4.640 0.130 0.000 0.196 15 D C 1.841 178.290 176.300 0.248 0.000 0.986 15 D CA 4.148 58.242 54.000 0.156 0.000 0.829 15 D CB -0.044 40.819 40.800 0.106 0.000 0.983 15 D HN -0.498 7.818 8.370 0.144 0.141 0.453 16 F N 0.633 120.667 119.950 0.140 0.000 2.161 16 F HA -0.316 4.347 4.527 0.226 0.000 0.300 16 F C 1.781 177.696 175.800 0.192 0.000 1.089 16 F CA 2.987 61.103 58.000 0.194 0.000 1.282 16 F CB 0.051 39.181 39.000 0.216 0.000 1.010 16 F HN -0.655 7.872 8.300 0.377 0.000 0.485 17 V N -0.913 119.244 119.914 0.405 0.000 2.229 17 V HA -0.601 3.669 4.120 0.251 0.000 0.243 17 V C 1.925 178.155 176.094 0.228 0.000 1.042 17 V CA 5.216 67.667 62.300 0.252 0.000 1.000 17 V CB -0.214 31.688 31.823 0.131 0.000 0.637 17 V HN -0.369 8.012 8.190 0.337 0.011 0.446 18 G N -1.516 107.404 108.800 0.199 0.000 2.476 18 G HA2 -0.393 3.644 3.960 0.127 0.000 0.218 18 G HA3 -0.393 3.662 3.960 0.158 0.000 0.218 18 G C 1.051 176.077 174.900 0.210 0.000 1.164 18 G CA 2.285 47.487 45.100 0.170 0.000 0.768 18 G HN 0.001 8.298 8.290 0.190 0.107 0.560 19 Y N 2.882 123.244 120.300 0.104 0.000 2.145 19 Y HA -0.418 4.165 4.550 0.055 0.000 0.286 19 Y C 2.009 177.966 175.900 0.096 0.000 1.145 19 Y CA 2.695 60.839 58.100 0.073 0.000 1.148 19 Y CB -0.063 38.412 38.460 0.026 0.000 0.981 19 Y HN 0.131 8.629 8.280 0.363 0.000 0.507 20 K N -2.126 118.409 120.400 0.226 0.000 2.281 20 K HA -0.372 4.003 4.320 0.092 0.000 0.203 20 K C 2.406 179.050 176.600 0.073 0.000 1.046 20 K CA 2.641 59.029 56.287 0.169 0.000 0.938 20 K CB -0.539 32.167 32.500 0.343 0.000 0.737 20 K HN -0.454 8.021 8.250 0.374 0.000 0.458 21 L N -1.809 119.459 121.223 0.075 0.000 2.095 21 L HA -0.201 4.167 4.340 0.046 0.000 0.204 21 L C 1.772 178.646 176.870 0.007 0.000 1.080 21 L CA 2.776 57.644 54.840 0.046 0.000 0.759 21 L CB 0.162 42.258 42.059 0.061 0.000 0.914 21 L HN -0.456 7.679 8.230 0.115 0.164 0.439 22 R N -1.984 118.504 120.500 -0.020 0.000 2.193 22 R HA -0.237 4.114 4.340 0.019 0.000 0.213 22 R C 2.007 178.237 176.300 -0.117 0.000 1.055 22 R CA 2.409 58.489 56.100 -0.033 0.000 0.995 22 R CB -0.208 30.086 30.300 -0.010 0.000 0.893 22 R HN -0.559 7.706 8.270 -0.008 0.000 0.459 23 Q N -3.076 116.594 119.800 -0.218 0.000 2.297 23 Q HA -0.215 3.934 4.340 -0.319 0.000 0.208 23 Q C 0.772 176.695 176.000 -0.127 0.000 0.981 23 Q CA 2.400 58.057 55.803 -0.243 0.000 0.876 23 Q CB 0.005 28.599 28.738 -0.240 0.000 0.921 23 Q HN -0.011 8.098 8.270 -0.218 0.030 0.446 24 K N -5.511 114.843 120.400 -0.077 0.000 2.313 24 K HA 0.117 4.398 4.320 -0.065 0.000 0.197 24 K C 1.048 177.622 176.600 -0.042 0.000 1.061 24 K CA 0.603 56.858 56.287 -0.054 0.000 0.980 24 K CB 0.435 32.914 32.500 -0.034 0.000 0.888 24 K HN -0.771 7.393 8.250 -0.064 0.048 0.502 25 G N 0.529 109.319 108.800 -0.016 0.000 2.664 25 G HA2 -0.032 3.938 3.960 0.015 0.000 0.216 25 G HA3 -0.032 3.963 3.960 0.058 0.000 0.216 25 G C -0.971 173.960 174.900 0.051 0.000 1.243 25 G CA 0.169 45.286 45.100 0.028 0.000 0.859 25 G HN -0.614 7.579 8.290 -0.016 0.088 0.574 26 Y N 0.892 121.162 120.300 -0.050 0.000 2.488 26 Y HA 0.092 4.617 4.550 -0.041 0.000 0.330 26 Y C -1.620 174.240 175.900 -0.067 0.000 1.013 26 Y CA -1.055 57.018 58.100 -0.045 0.000 1.304 26 Y CB 1.406 39.851 38.460 -0.025 0.000 1.098 26 Y HN -0.339 8.016 8.280 0.125 0.000 0.498 27 V N 5.620 125.473 119.914 -0.102 0.000 2.655 27 V HA -0.165 3.856 4.120 -0.165 0.000 0.300 27 V C -0.374 175.738 176.094 0.030 0.000 1.044 27 V CA 0.843 63.082 62.300 -0.101 0.000 1.095 27 V CB 0.423 32.157 31.823 -0.148 0.000 0.952 27 V HN -0.147 7.906 8.190 -0.228 0.000 0.485 28 C N 7.410 126.760 119.300 0.084 0.000 2.607 28 C HA 0.225 4.763 4.460 0.130 0.000 0.350 28 C C -0.739 174.388 174.990 0.228 0.000 1.101 28 C CA -0.345 58.770 59.018 0.161 0.000 1.282 28 C CB 0.578 28.425 27.740 0.178 0.000 1.825 28 C HN 0.124 8.367 8.230 0.022 0.000 0.460 29 G N 4.766 113.652 108.800 0.143 0.000 2.552 29 G HA2 0.087 4.084 3.960 0.061 0.000 0.137 29 G HA3 0.087 4.140 3.960 0.156 0.000 0.137 29 G C -2.218 172.706 174.900 0.039 0.000 1.135 29 G CA 0.491 45.652 45.100 0.102 0.000 1.047 29 G HN 0.008 8.359 8.290 0.102 0.000 0.501 30 A N -0.780 122.047 122.820 0.013 0.000 2.681 30 A HA 0.418 4.739 4.320 0.003 0.000 0.278 30 A C -1.564 176.018 177.584 -0.004 0.000 1.272 30 A CA 0.179 52.213 52.037 -0.006 0.000 0.750 30 A CB 1.147 20.128 19.000 -0.032 0.000 1.351 30 A HN 0.329 8.485 8.150 0.011 0.000 0.514 31 G N 0.682 109.475 108.800 -0.013 0.000 3.749 31 G HA2 0.289 4.245 3.960 -0.005 0.000 0.339 31 G HA3 0.289 4.244 3.960 -0.008 0.000 0.339 31 G C -2.245 172.645 174.900 -0.017 0.000 1.513 31 G CA -0.760 44.334 45.100 -0.011 0.000 1.035 31 G HN -0.081 8.199 8.290 -0.017 0.000 0.480 32 P HA 0.179 4.583 4.420 -0.026 0.000 0.269 32 P C -0.868 176.422 177.300 -0.016 0.000 1.252 32 P CA -0.375 62.710 63.100 -0.024 0.000 0.780 32 P CB 0.601 32.282 31.700 -0.032 0.000 0.829 33 G N 2.701 111.493 108.800 -0.015 0.000 2.868 33 G HA2 0.001 3.955 3.960 -0.011 0.000 0.201 33 G HA3 0.001 3.954 3.960 -0.012 0.000 0.201 33 G C -0.024 174.868 174.900 -0.013 0.000 1.130 33 G CA 0.477 45.569 45.100 -0.012 0.000 0.777 33 G HN 0.476 8.756 8.290 -0.016 0.000 0.680 34 E N 0.224 120.416 120.200 -0.014 0.000 3.385 34 E HA 0.267 4.608 4.350 -0.015 0.000 0.206 34 E C -0.916 175.676 176.600 -0.014 0.000 0.997 34 E CA -0.640 55.752 56.400 -0.014 0.000 1.278 34 E CB 0.612 30.305 29.700 -0.013 0.000 1.165 34 E HN 0.016 8.368 8.360 -0.014 0.000 0.452 35 G N 0.110 108.901 108.800 -0.014 0.000 3.428 35 G HA2 0.287 4.240 3.960 -0.013 0.000 0.344 35 G HA3 0.287 4.238 3.960 -0.015 0.000 0.344 35 G C -1.966 172.927 174.900 -0.011 0.000 1.256 35 G CA -1.406 43.686 45.100 -0.014 0.000 1.209 35 G HN -0.414 7.808 8.290 -0.015 0.059 0.470 36 P HA -0.076 4.335 4.420 -0.015 0.000 0.260 36 P C -0.968 176.328 177.300 -0.007 0.000 1.185 36 P CA -0.198 62.895 63.100 -0.013 0.000 0.763 36 P CB 0.735 32.426 31.700 -0.015 0.000 0.776 37 A N 3.804 126.622 122.820 -0.004 0.000 2.318 37 A HA 0.339 4.662 4.320 0.005 0.000 0.324 37 A C -0.367 177.214 177.584 -0.005 0.000 1.170 37 A CA -1.210 50.830 52.037 0.005 0.000 0.810 37 A CB 2.060 21.077 19.000 0.028 0.000 1.198 37 A HN -0.030 8.116 8.150 -0.007 0.000 0.484 38 A N 1.566 124.383 122.820 -0.004 0.000 1.859 38 A HA -0.204 4.110 4.320 -0.010 0.000 0.218 38 A C -0.133 177.440 177.584 -0.017 0.000 1.209 38 A CA 1.766 53.797 52.037 -0.009 0.000 0.639 38 A CB -0.134 18.863 19.000 -0.005 0.000 0.835 38 A HN 0.385 8.535 8.150 0.000 0.000 0.450 39 D N -3.362 117.023 120.400 -0.026 0.000 2.456 39 D HA 0.140 4.757 4.640 -0.039 0.000 0.219 39 D C -1.577 174.673 176.300 -0.083 0.000 1.126 39 D CA -2.875 51.093 54.000 -0.054 0.000 0.890 39 D CB -0.574 40.182 40.800 -0.073 0.000 1.025 39 D HN -0.220 8.139 8.370 -0.019 0.000 0.511 40 P HA 0.184 4.588 4.420 -0.027 0.000 0.261 40 P C -0.377 176.854 177.300 -0.114 0.000 1.650 40 P CA -0.307 62.760 63.100 -0.056 0.000 0.846 40 P CB -1.202 30.478 31.700 -0.034 0.000 1.758 41 L N 0.229 121.289 121.223 -0.272 0.000 1.970 41 L HA -0.527 3.573 4.340 -0.401 0.000 0.212 41 L C 1.678 178.329 176.870 -0.364 0.000 1.071 41 L CA 3.507 58.087 54.840 -0.433 0.000 0.751 41 L CB -1.037 40.656 42.059 -0.610 0.000 0.889 41 L HN 0.326 8.265 8.230 -0.278 0.125 0.432 42 H N -2.629 116.363 119.070 -0.129 0.000 2.253 42 H HA -0.445 4.004 4.556 -0.179 0.000 0.296 42 H C 2.504 177.772 175.328 -0.101 0.000 1.074 42 H CA 3.628 59.588 56.048 -0.146 0.000 1.263 42 H CB -0.689 28.973 29.762 -0.166 0.000 1.363 42 H HN 0.190 7.863 8.280 -1.011 0.000 0.489 43 Q N -0.764 119.081 119.800 0.075 0.000 2.133 43 Q HA -0.365 3.998 4.340 0.039 0.000 0.208 43 Q C 2.195 178.250 176.000 0.091 0.000 0.991 43 Q CA 2.900 58.737 55.803 0.057 0.000 0.867 43 Q CB -0.703 28.067 28.738 0.053 0.000 0.911 43 Q HN 0.123 8.457 8.270 0.107 0.000 0.417 44 A N 0.616 123.509 122.820 0.122 0.000 1.851 44 A HA -0.241 4.248 4.320 0.281 0.000 0.216 44 A C 2.344 180.169 177.584 0.401 0.000 1.195 44 A CA 2.887 55.111 52.037 0.311 0.000 0.622 44 A CB -0.590 18.652 19.000 0.402 0.000 0.831 44 A HN 0.281 8.351 8.150 0.057 0.115 0.444 45 M N -1.849 117.883 119.600 0.220 0.000 2.089 45 M HA -0.504 4.202 4.480 0.377 0.000 0.257 45 M C 2.408 178.813 176.300 0.174 0.000 1.071 45 M CA 4.067 59.524 55.300 0.263 0.000 1.096 45 M CB -0.424 32.285 32.600 0.183 0.000 1.330 45 M HN -0.114 8.225 8.290 0.083 0.000 0.403 46 R N -1.316 119.177 120.500 -0.011 0.000 2.075 46 R HA -0.282 4.020 4.340 -0.063 0.000 0.232 46 R C 1.860 178.134 176.300 -0.043 0.000 1.126 46 R CA 2.726 58.796 56.100 -0.050 0.000 0.963 46 R CB -0.254 30.007 30.300 -0.065 0.000 0.858 46 R HN -0.118 8.133 8.270 -0.025 0.004 0.435 47 A N -1.086 121.705 122.820 -0.048 0.000 1.873 47 A HA -0.330 3.895 4.320 -0.158 0.000 0.218 47 A C 2.038 179.450 177.584 -0.287 0.000 1.193 47 A CA 3.039 54.947 52.037 -0.214 0.000 0.629 47 A CB -0.944 17.770 19.000 -0.477 0.000 0.826 47 A HN 0.165 8.251 8.150 0.018 0.075 0.447 48 A N -1.998 120.718 122.820 -0.174 0.000 1.873 48 A HA -0.378 3.826 4.320 -0.194 0.000 0.218 48 A C 2.016 179.420 177.584 -0.299 0.000 1.193 48 A CA 2.922 54.808 52.037 -0.251 0.000 0.629 48 A CB -0.688 18.000 19.000 -0.520 0.000 0.826 48 A HN -0.197 7.976 8.150 0.038 0.000 0.447 49 G N -1.838 106.798 108.800 -0.274 0.000 2.514 49 G HA2 -0.452 3.429 3.960 -0.131 0.000 0.217 49 G HA3 -0.452 3.532 3.960 0.041 0.000 0.217 49 G C 1.353 175.685 174.900 -0.947 0.000 1.198 49 G CA 2.185 47.072 45.100 -0.356 0.000 0.780 49 G HN -0.458 7.728 8.290 -0.173 0.000 0.565 50 D N 1.448 121.582 120.400 -0.443 0.000 2.310 50 D HA -0.209 4.193 4.640 -0.396 0.000 0.212 50 D C 2.454 178.544 176.300 -0.350 0.000 0.965 50 D CA 3.097 56.879 54.000 -0.363 0.000 0.879 50 D CB -0.227 40.473 40.800 -0.167 0.000 0.921 50 D HN 0.050 8.272 8.370 -0.245 0.000 0.510 51 E N 0.388 120.384 120.200 -0.339 0.000 2.031 51 E HA -0.313 3.957 4.350 -0.133 0.000 0.193 51 E C 2.397 178.945 176.600 -0.086 0.000 0.994 51 E CA 3.541 59.833 56.400 -0.180 0.000 0.800 51 E CB -0.045 29.572 29.700 -0.139 0.000 0.752 51 E HN -0.115 7.853 8.360 -0.369 0.170 0.447 52 F N -2.718 117.261 119.950 0.049 0.000 2.186 52 F HA -0.217 4.476 4.527 0.277 0.000 0.299 52 F C 1.910 177.874 175.800 0.273 0.000 1.090 52 F CA 1.460 59.579 58.000 0.199 0.000 1.307 52 F CB -1.220 37.841 39.000 0.102 0.000 1.019 52 F HN -0.487 7.646 8.300 -0.278 0.000 0.489 53 E N -0.973 119.124 120.200 -0.171 0.000 2.150 53 E HA -0.309 4.283 4.350 0.405 0.000 0.193 53 E C 0.976 177.648 176.600 0.120 0.000 0.985 53 E CA 2.658 59.108 56.400 0.083 0.000 0.814 53 E CB -0.137 29.476 29.700 -0.146 0.000 0.752 53 E HN -0.666 7.047 8.360 -1.054 0.014 0.466 54 T N -2.407 112.158 114.554 0.019 0.000 3.009 54 T HA -0.102 4.273 4.350 0.042 0.000 0.258 54 T C 1.648 176.359 174.700 0.019 0.000 1.063 54 T CA 1.970 64.082 62.100 0.020 0.000 1.139 54 T CB 0.098 68.949 68.868 -0.030 0.000 0.890 54 T HN -0.332 7.750 8.240 -0.074 0.113 0.471 55 R N -0.526 119.966 120.500 -0.014 0.000 2.097 55 R HA -0.269 3.962 4.340 -0.181 0.000 0.236 55 R C 1.452 177.582 176.300 -0.283 0.000 1.135 55 R CA 3.174 59.145 56.100 -0.216 0.000 0.934 55 R CB 0.338 30.388 30.300 -0.417 0.000 0.846 55 R HN 0.032 8.204 8.270 0.022 0.111 0.431 56 F N -3.847 116.135 119.950 0.052 0.000 2.360 56 F HA -0.021 4.530 4.527 0.041 0.000 0.194 56 F C 0.682 176.515 175.800 0.055 0.000 0.766 56 F CA 0.608 58.638 58.000 0.051 0.000 1.061 56 F CB 0.573 39.603 39.000 0.051 0.000 2.226 56 F HN -0.864 7.667 8.300 0.385 0.000 0.684 57 R N -2.411 118.279 120.500 0.317 0.000 4.650 57 R HA 0.127 4.563 4.340 0.159 0.000 0.128 57 R C 0.276 176.687 176.300 0.185 0.000 1.329 57 R CA 0.380 56.594 56.100 0.191 0.000 0.975 57 R CB 1.744 32.129 30.300 0.143 0.000 1.371 57 R HN 0.188 8.697 8.270 0.397 0.000 0.424 58 R N 0.355 120.953 120.500 0.163 0.000 2.983 58 R HA 0.456 4.914 4.340 0.197 0.000 0.300 58 R C 0.091 176.469 176.300 0.130 0.000 1.367 58 R CA -1.382 54.814 56.100 0.161 0.000 1.564 58 R CB -0.709 29.668 30.300 0.129 0.000 1.314 58 R HN 0.244 8.607 8.270 0.155 0.000 0.622 59 T N -1.656 112.947 114.554 0.081 0.000 2.803 59 T HA -0.321 3.941 4.350 -0.147 0.000 0.269 59 T C 1.088 175.736 174.700 -0.087 0.000 1.052 59 T CA 3.586 65.619 62.100 -0.112 0.000 1.136 59 T CB 0.104 68.781 68.868 -0.317 0.000 0.864 59 T HN 0.022 8.345 8.240 0.139 0.000 0.467 60 F N 1.933 121.891 119.950 0.014 0.000 2.009 60 F HA -0.317 4.221 4.527 0.019 0.000 0.293 60 F C 1.411 177.227 175.800 0.026 0.000 1.156 60 F CA 4.449 62.463 58.000 0.024 0.000 1.168 60 F CB -0.494 38.530 39.000 0.039 0.000 0.981 60 F HN -0.265 8.201 8.300 0.318 0.024 0.475 61 S N -2.204 113.649 115.700 0.256 0.000 2.383 61 S HA -0.333 4.225 4.470 0.147 0.000 0.229 61 S C 2.381 177.047 174.600 0.110 0.000 1.030 61 S CA 3.396 61.687 58.200 0.152 0.000 1.002 61 S CB -1.197 62.074 63.200 0.119 0.000 0.829 61 S HN -0.163 8.326 8.310 0.298 0.000 0.467 62 D N 3.076 123.531 120.400 0.093 0.000 2.077 62 D HA -0.196 4.487 4.640 0.072 0.000 0.197 62 D C 1.942 178.274 176.300 0.054 0.000 0.983 62 D CA 4.015 58.054 54.000 0.066 0.000 0.841 62 D CB 0.087 40.917 40.800 0.051 0.000 0.992 62 D HN 0.042 8.466 8.370 0.106 0.010 0.450 63 L N -0.517 120.715 121.223 0.014 0.000 2.263 63 L HA -0.369 4.192 4.340 0.042 -0.196 0.216 63 L C 1.638 178.548 176.870 0.066 0.000 1.111 63 L CA 2.528 57.382 54.840 0.023 0.000 0.773 63 L CB -0.150 41.882 42.059 -0.045 0.000 0.906 63 L HN -0.272 7.835 8.230 -0.021 0.109 0.439 64 A N -0.782 122.079 122.820 0.068 0.000 1.821 64 A HA -0.362 3.977 4.320 0.031 0.000 0.215 64 A C 1.642 179.290 177.584 0.107 0.000 1.214 64 A CA 3.010 55.086 52.037 0.065 0.000 0.608 64 A CB -1.091 17.958 19.000 0.082 0.000 0.862 64 A HN 0.177 8.226 8.150 0.071 0.143 0.448 65 A N -1.302 121.598 122.820 0.134 0.000 1.873 65 A HA -0.470 4.008 4.320 0.264 0.000 0.218 65 A C 1.921 179.596 177.584 0.152 0.000 1.193 65 A CA 3.147 55.286 52.037 0.171 0.000 0.629 65 A CB -0.589 18.481 19.000 0.115 0.000 0.826 65 A HN -0.573 7.645 8.150 0.113 0.000 0.447 66 Q N -2.334 117.532 119.800 0.111 0.000 1.985 66 Q HA -0.335 4.055 4.340 0.083 0.000 0.207 66 Q C 2.439 178.508 176.000 0.114 0.000 0.996 66 Q CA 2.625 58.486 55.803 0.097 0.000 0.851 66 Q CB -0.594 28.195 28.738 0.084 0.000 0.921 66 Q HN -0.318 8.011 8.270 0.098 0.000 0.418 67 L N -2.111 119.187 121.223 0.126 0.000 2.362 67 L HA -0.223 4.193 4.340 0.127 0.000 0.219 67 L C 0.874 177.824 176.870 0.133 0.000 1.134 67 L CA 1.130 56.049 54.840 0.130 0.000 0.807 67 L CB -1.141 41.013 42.059 0.158 0.000 0.927 67 L HN -0.592 7.710 8.230 0.119 0.000 0.447 68 H N -0.767 118.316 119.070 0.022 0.000 2.325 68 H HA -0.282 4.262 4.556 -0.020 0.000 0.296 68 H C 1.734 177.061 175.328 -0.001 0.000 1.053 68 H CA 2.593 58.642 56.048 0.000 0.000 1.204 68 H CB 0.389 30.155 29.762 0.008 0.000 1.383 68 H HN -0.376 7.865 8.280 0.211 0.166 0.532 69 V N -2.421 117.531 119.914 0.064 0.000 2.230 69 V HA -0.423 3.619 4.120 -0.130 0.000 0.256 69 V C 0.611 176.718 176.094 0.021 0.000 1.064 69 V CA 3.669 65.950 62.300 -0.030 0.000 1.050 69 V CB 0.287 32.100 31.823 -0.017 0.000 0.666 69 V HN -0.574 7.670 8.190 0.089 0.000 0.457 70 T N 1.749 116.330 114.554 0.046 0.000 2.708 70 T HA -0.116 4.252 4.350 0.029 0.000 0.271 70 T C -2.027 172.697 174.700 0.039 0.000 0.985 70 T CA -0.225 61.901 62.100 0.042 0.000 1.229 70 T CB -0.332 68.568 68.868 0.054 0.000 0.934 70 T HN -0.422 7.852 8.240 0.057 0.000 0.522 71 P HA -0.095 4.337 4.420 0.020 0.000 0.255 71 P C -0.993 176.305 177.300 -0.004 0.000 1.173 71 P CA 0.405 63.512 63.100 0.012 0.000 0.780 71 P CB 0.078 31.782 31.700 0.005 0.000 0.758 72 G N 3.324 112.107 108.800 -0.029 0.000 2.591 72 G HA2 0.223 4.155 3.960 -0.046 0.000 0.306 72 G HA3 0.223 4.125 3.960 -0.097 0.000 0.306 72 G C -1.684 173.145 174.900 -0.117 0.000 1.334 72 G CA -1.093 43.964 45.100 -0.072 0.000 0.981 72 G HN 0.046 8.323 8.290 -0.022 0.000 0.491 73 S N 0.918 116.549 115.700 -0.116 0.000 2.633 73 S HA 0.022 4.429 4.470 -0.104 0.000 0.257 73 S C 0.216 174.683 174.600 -0.221 0.000 1.265 73 S CA -0.348 57.777 58.200 -0.126 0.000 0.980 73 S CB 0.921 64.077 63.200 -0.073 0.000 1.017 73 S HN 0.095 8.353 8.310 -0.088 0.000 0.577 74 A N -0.621 122.080 122.820 -0.199 0.000 2.398 74 A HA -0.051 4.080 4.320 -0.314 0.000 0.264 74 A C 1.047 178.445 177.584 -0.310 0.000 1.564 74 A CA 0.323 52.205 52.037 -0.259 0.000 0.828 74 A CB 0.417 19.305 19.000 -0.187 0.000 1.444 74 A HN 0.041 8.107 8.150 -0.141 0.000 0.565 75 Q N 0.342 119.981 119.800 -0.268 0.000 2.065 75 Q HA -0.507 3.706 4.340 -0.212 0.000 0.213 75 Q C 2.099 178.027 176.000 -0.120 0.000 1.012 75 Q CA 3.905 59.586 55.803 -0.203 0.000 0.876 75 Q CB -0.833 27.797 28.738 -0.179 0.000 0.954 75 Q HN 0.593 8.719 8.270 -0.240 0.000 0.413 76 Q N -2.509 117.213 119.800 -0.130 0.000 2.217 76 Q HA -0.380 3.972 4.340 0.021 0.000 0.209 76 Q C 2.744 178.779 176.000 0.059 0.000 0.988 76 Q CA 3.132 58.927 55.803 -0.014 0.000 0.878 76 Q CB -0.849 27.890 28.738 0.002 0.000 0.909 76 Q HN 0.321 8.479 8.270 -0.186 0.000 0.424 77 R N -0.322 120.158 120.500 -0.033 0.000 2.066 77 R HA -0.197 4.162 4.340 0.032 0.000 0.232 77 R C 2.190 178.550 176.300 0.101 0.000 1.131 77 R CA 2.254 58.343 56.100 -0.018 0.000 0.955 77 R CB -0.787 29.426 30.300 -0.144 0.000 0.851 77 R HN 0.353 8.381 8.270 -0.117 0.173 0.432 78 F N -1.221 118.681 119.950 -0.080 0.000 2.069 78 F HA -0.250 4.260 4.527 -0.029 0.000 0.298 78 F C 1.842 177.787 175.800 0.242 0.000 1.113 78 F CA 2.002 59.969 58.000 -0.055 0.000 1.214 78 F CB -0.807 37.940 39.000 -0.422 0.000 0.978 78 F HN -0.145 8.007 8.300 -0.099 0.088 0.474 79 T N 0.161 114.933 114.554 0.364 0.000 2.622 79 T HA -0.412 4.216 4.350 0.463 0.000 0.266 79 T C 2.431 177.299 174.700 0.279 0.000 1.047 79 T CA 3.482 65.795 62.100 0.355 0.000 1.159 79 T CB -0.332 68.714 68.868 0.296 0.000 0.863 79 T HN -0.509 7.892 8.240 0.269 0.000 0.422 80 Q N 1.064 120.984 119.800 0.201 0.000 2.156 80 Q HA -0.424 3.963 4.340 0.078 0.000 0.211 80 Q C 2.685 178.729 176.000 0.073 0.000 0.995 80 Q CA 3.390 59.262 55.803 0.115 0.000 0.877 80 Q CB -0.588 28.211 28.738 0.102 0.000 0.920 80 Q HN -0.570 7.824 8.270 0.207 0.000 0.416 81 V N -1.008 118.978 119.914 0.121 0.000 2.261 81 V HA -0.469 3.588 4.120 -0.105 0.000 0.246 81 V C 2.155 178.102 176.094 -0.245 0.000 1.047 81 V CA 3.656 65.930 62.300 -0.042 0.000 1.015 81 V CB -0.134 31.748 31.823 0.098 0.000 0.642 81 V HN -0.235 7.988 8.190 0.217 0.097 0.446 82 S N 0.413 116.188 115.700 0.124 0.000 2.351 82 S HA -0.436 4.143 4.470 0.183 0.000 0.220 82 S C 1.931 176.607 174.600 0.128 0.000 1.035 82 S CA 3.835 62.229 58.200 0.324 0.000 1.031 82 S CB -0.593 63.065 63.200 0.763 0.000 0.928 82 S HN -0.396 8.100 8.310 0.421 0.066 0.433 83 D N 1.367 121.802 120.400 0.060 0.000 2.182 83 D HA -0.301 4.331 4.640 -0.015 0.000 0.201 83 D C 2.317 178.613 176.300 -0.007 0.000 0.986 83 D CA 2.963 56.931 54.000 -0.054 0.000 0.847 83 D CB -0.564 40.072 40.800 -0.273 0.000 0.942 83 D HN -0.018 8.419 8.370 0.112 0.000 0.467 84 E N -0.491 119.682 120.200 -0.046 0.000 2.038 84 E HA -0.280 4.050 4.350 -0.032 0.000 0.195 84 E C 1.600 178.155 176.600 -0.076 0.000 1.000 84 E CA 2.568 58.929 56.400 -0.065 0.000 0.803 84 E CB 0.078 29.715 29.700 -0.106 0.000 0.750 84 E HN -0.590 7.620 8.360 -0.050 0.120 0.448 85 L N -2.396 118.741 121.223 -0.144 0.000 2.049 85 L HA -0.204 4.057 4.340 -0.132 0.000 0.203 85 L C 2.075 178.936 176.870 -0.015 0.000 1.074 85 L CA 2.263 57.020 54.840 -0.139 0.000 0.749 85 L CB 0.574 42.445 42.059 -0.314 0.000 0.907 85 L HN -0.666 7.430 8.230 -0.224 0.000 0.439 86 F N -0.693 119.216 119.950 -0.069 0.000 2.411 86 F HA -0.286 4.214 4.527 -0.045 0.000 0.299 86 F C 0.225 176.027 175.800 0.003 0.000 1.077 86 F CA 1.135 59.117 58.000 -0.030 0.000 1.439 86 F CB 0.467 39.461 39.000 -0.011 0.000 1.085 86 F HN -0.000 8.418 8.300 0.197 0.000 0.564 87 Q N 0.175 120.030 119.800 0.091 0.000 2.504 87 Q HA -0.384 4.096 4.340 0.233 0.000 0.263 87 Q C 0.222 176.224 176.000 0.004 0.000 1.343 87 Q CA 1.793 57.656 55.803 0.098 0.000 0.924 87 Q CB -1.643 27.137 28.738 0.070 0.000 1.551 87 Q HN -0.546 7.692 8.270 0.091 0.087 0.520 88 G N 1.780 110.570 108.800 -0.017 0.000 2.130 88 G HA2 -0.254 3.948 3.960 0.404 0.000 0.216 88 G HA3 -0.254 3.752 3.960 0.077 0.000 0.216 88 G C -0.570 174.140 174.900 -0.317 0.000 0.999 88 G CA -0.226 44.901 45.100 0.045 0.000 0.686 88 G HN -0.079 8.209 8.290 0.011 0.010 0.515 89 G N -0.335 107.976 108.800 -0.815 0.000 3.302 89 G HA2 0.202 3.755 3.960 -0.678 0.000 0.338 89 G HA3 0.202 3.757 3.960 -0.676 0.000 0.338 89 G C -1.972 172.113 174.900 -1.357 0.000 1.405 89 G CA -2.214 42.344 45.100 -0.902 0.000 1.090 89 G HN 0.313 7.854 8.290 -1.074 0.105 0.482 90 P HA -0.053 3.858 4.420 -0.847 0.000 0.261 90 P C -1.549 175.432 177.300 -0.532 0.000 1.650 90 P CA -0.754 61.688 63.100 -1.097 0.000 0.846 90 P CB -1.479 29.275 31.700 -1.578 0.000 1.758 91 N N 0.387 118.812 118.700 -0.458 0.000 2.495 91 N HA 0.029 4.291 4.740 -0.796 0.000 0.280 91 N C 1.214 176.597 175.510 -0.213 0.000 1.168 91 N CA -0.883 51.852 53.050 -0.524 0.000 0.978 91 N CB 1.059 39.237 38.487 -0.515 0.000 1.191 91 N HN -0.145 7.797 8.380 -0.513 0.131 0.497 92 W N -0.219 121.115 121.300 0.057 0.000 2.518 92 W HA -0.038 4.669 4.660 0.078 0.000 0.273 92 W C 1.063 177.626 176.519 0.073 0.000 1.247 92 W CA 0.666 58.058 57.345 0.078 0.000 1.288 92 W CB -1.238 28.281 29.460 0.098 0.000 1.107 92 W HN 0.293 7.557 8.180 -1.526 0.000 0.586 93 G N 0.180 109.081 108.800 0.168 0.000 2.505 93 G HA2 -0.373 3.697 3.960 0.184 0.000 0.220 93 G HA3 -0.373 3.638 3.960 0.086 0.000 0.220 93 G C 1.318 176.281 174.900 0.106 0.000 1.145 93 G CA 2.286 47.469 45.100 0.138 0.000 0.761 93 G HN 0.295 8.531 8.290 -0.050 0.024 0.571 94 R N -0.263 120.341 120.500 0.173 0.000 2.235 94 R HA -0.146 4.327 4.340 0.221 0.000 0.213 94 R C 1.915 178.261 176.300 0.076 0.000 1.059 94 R CA 1.503 57.732 56.100 0.215 0.000 0.997 94 R CB -0.639 29.934 30.300 0.455 0.000 0.884 94 R HN -0.365 8.003 8.270 0.174 0.007 0.462 95 L N 0.200 121.471 121.223 0.080 0.000 2.023 95 L HA -0.147 4.193 4.340 0.001 0.000 0.205 95 L C 1.213 178.123 176.870 0.068 0.000 1.073 95 L CA 3.332 58.200 54.840 0.045 0.000 0.745 95 L CB -0.303 41.782 42.059 0.042 0.000 0.900 95 L HN -0.014 8.098 8.230 0.139 0.201 0.435 96 V N -1.601 118.338 119.914 0.042 0.000 2.626 96 V HA -0.463 3.682 4.120 0.041 0.000 0.252 96 V C 1.744 177.751 176.094 -0.147 0.000 1.067 96 V CA 3.256 65.575 62.300 0.031 0.000 1.081 96 V CB -1.518 30.371 31.823 0.110 0.000 0.686 96 V HN -0.538 7.703 8.190 0.085 0.000 0.468 97 A N 0.837 123.472 122.820 -0.309 0.000 1.832 97 A HA -0.142 3.602 4.320 -0.960 0.000 0.214 97 A C 1.336 178.439 177.584 -0.802 0.000 1.242 97 A CA 2.792 54.340 52.037 -0.814 0.000 0.603 97 A CB -0.819 17.455 19.000 -1.210 0.000 0.902 97 A HN -0.483 7.448 8.150 -0.182 0.110 0.455 98 F N 0.180 119.783 119.950 -0.579 0.000 2.176 98 F HA -0.400 3.926 4.527 -0.335 0.000 0.301 98 F C 0.950 176.589 175.800 -0.268 0.000 1.071 98 F CA 2.610 60.411 58.000 -0.332 0.000 1.289 98 F CB -0.170 38.739 39.000 -0.153 0.000 1.028 98 F HN -0.583 7.622 8.300 -0.157 0.000 0.494 99 F N -0.244 119.521 119.950 -0.309 0.000 2.060 99 F HA -0.482 3.825 4.527 -0.368 0.000 0.295 99 F C 1.091 176.601 175.800 -0.483 0.000 1.120 99 F CA 3.772 61.576 58.000 -0.326 0.000 1.205 99 F CB 0.006 38.944 39.000 -0.104 0.000 0.986 99 F HN -0.577 7.750 8.300 0.098 0.032 0.470 100 V N -0.547 119.152 119.914 -0.358 0.000 2.527 100 V HA -0.623 3.093 4.120 -0.674 0.000 0.255 100 V C 1.095 176.858 176.094 -0.552 0.000 1.081 100 V CA 3.789 65.564 62.300 -0.875 0.000 1.092 100 V CB -0.060 30.657 31.823 -1.843 0.000 0.673 100 V HN -0.609 7.358 8.190 -0.371 0.000 0.470 101 F N -1.176 118.298 119.950 -0.792 0.000 2.074 101 F HA -0.092 3.885 4.527 -0.918 0.000 0.290 101 F C 2.095 177.557 175.800 -0.562 0.000 1.118 101 F CA 1.090 58.585 58.000 -0.843 0.000 1.199 101 F CB -1.244 37.142 39.000 -1.025 0.000 1.012 101 F HN -0.417 7.365 8.300 -0.648 0.129 0.472 102 G N -1.088 107.421 108.800 -0.484 0.000 2.513 102 G HA2 -0.503 3.238 3.960 -0.365 0.000 0.219 102 G HA3 -0.503 3.049 3.960 -0.680 0.000 0.219 102 G C 1.013 175.708 174.900 -0.342 0.000 1.160 102 G CA 2.228 47.038 45.100 -0.483 0.000 0.767 102 G HN -0.212 7.662 8.290 -0.693 0.000 0.571 103 A N 0.969 123.568 122.820 -0.369 0.000 1.835 103 A HA -0.270 3.894 4.320 -0.259 0.000 0.215 103 A C 1.721 179.265 177.584 -0.067 0.000 1.199 103 A CA 2.937 54.839 52.037 -0.225 0.000 0.615 103 A CB -0.783 18.127 19.000 -0.150 0.000 0.838 103 A HN -0.208 7.668 8.150 -0.456 0.000 0.444 104 A N -0.785 122.012 122.820 -0.038 0.000 1.884 104 A HA -0.295 4.131 4.320 0.178 0.000 0.219 104 A C 2.138 179.750 177.584 0.046 0.000 1.197 104 A CA 3.067 55.138 52.037 0.056 0.000 0.637 104 A CB -0.799 18.175 19.000 -0.043 0.000 0.827 104 A HN -0.572 7.515 8.150 -0.104 0.000 0.450 105 L N -4.729 116.495 121.223 0.003 0.000 2.456 105 L HA -0.110 4.236 4.340 0.010 0.000 0.224 105 L C 1.886 178.731 176.870 -0.041 0.000 1.148 105 L CA 1.441 56.281 54.840 -0.001 0.000 0.825 105 L CB -1.839 40.238 42.059 0.031 0.000 0.937 105 L HN 0.305 8.512 8.230 -0.038 0.000 0.450 106 C N 0.612 119.880 119.300 -0.053 0.000 2.675 106 C HA -0.446 3.974 4.460 -0.068 0.000 0.285 106 C C 0.983 175.966 174.990 -0.012 0.000 1.282 106 C CA 4.906 63.891 59.018 -0.054 0.000 1.708 106 C CB -0.017 27.675 27.740 -0.080 0.000 2.134 106 C HN 0.108 8.089 8.230 -0.062 0.211 0.494 107 A N -1.577 121.256 122.820 0.021 0.000 1.986 107 A HA -0.434 3.911 4.320 0.042 0.000 0.220 107 A C 1.926 179.526 177.584 0.028 0.000 1.171 107 A CA 3.326 55.389 52.037 0.043 0.000 0.640 107 A CB -1.104 17.944 19.000 0.079 0.000 0.811 107 A HN 0.077 8.242 8.150 0.025 0.000 0.451 108 E N -1.814 118.400 120.200 0.024 0.000 2.015 108 E HA -0.341 4.019 4.350 0.015 0.000 0.191 108 E C 2.297 178.888 176.600 -0.015 0.000 0.991 108 E CA 3.535 59.941 56.400 0.009 0.000 0.802 108 E CB -0.160 29.545 29.700 0.008 0.000 0.759 108 E HN -0.394 7.960 8.360 0.031 0.025 0.447 109 S N -0.619 115.062 115.700 -0.031 0.000 2.419 109 S HA -0.276 4.164 4.470 -0.050 0.000 0.233 109 S C 2.080 176.661 174.600 -0.031 0.000 1.016 109 S CA 3.164 61.337 58.200 -0.045 0.000 0.974 109 S CB -0.218 62.941 63.200 -0.067 0.000 0.786 109 S HN -0.580 7.710 8.310 -0.033 0.000 0.492 110 V N 1.673 121.577 119.914 -0.017 0.000 2.239 110 V HA -0.485 3.628 4.120 -0.011 0.000 0.242 110 V C 1.875 177.968 176.094 -0.002 0.000 1.038 110 V CA 4.857 67.153 62.300 -0.006 0.000 1.002 110 V CB -0.371 31.458 31.823 0.009 0.000 0.641 110 V HN 0.281 8.350 8.190 -0.014 0.114 0.449 111 N N 1.200 119.902 118.700 0.004 0.000 2.091 111 N HA -0.272 4.473 4.740 0.007 0.000 0.193 111 N C 1.569 177.076 175.510 -0.004 0.000 1.021 111 N CA 2.726 55.778 53.050 0.004 0.000 0.862 111 N CB -0.073 38.418 38.487 0.006 0.000 1.018 111 N HN -0.133 8.147 8.380 0.009 0.106 0.429 112 K N -2.914 117.480 120.400 -0.010 0.000 2.611 112 K HA -0.067 4.245 4.320 -0.013 0.000 0.193 112 K C -1.209 175.381 176.600 -0.017 0.000 1.026 112 K CA 0.287 56.565 56.287 -0.016 0.000 1.063 112 K CB -0.017 32.469 32.500 -0.024 0.000 0.839 112 K HN -0.503 7.733 8.250 -0.011 0.007 0.505 113 E N -3.211 116.981 120.200 -0.013 0.000 2.722 113 E HA -0.382 4.005 4.350 -0.009 -0.043 0.265 113 E C -0.649 175.939 176.600 -0.020 0.000 1.081 113 E CA 1.378 57.771 56.400 -0.013 0.000 0.781 113 E CB -1.041 28.653 29.700 -0.011 0.000 1.372 113 E HN 0.208 8.325 8.360 -0.009 0.238 0.423 114 M N -0.945 118.639 119.600 -0.026 0.000 3.007 114 M HA 0.140 4.599 4.480 -0.035 0.000 0.288 114 M C 0.157 176.432 176.300 -0.042 0.000 1.246 114 M CA -1.037 54.240 55.300 -0.037 0.000 1.040 114 M CB -1.046 31.525 32.600 -0.047 0.000 1.254 114 M HN 0.037 8.278 8.290 -0.025 0.034 0.517 115 E N 2.242 122.423 120.200 -0.031 0.000 2.153 115 E HA -0.405 3.925 4.350 -0.035 0.000 0.194 115 E C 1.237 177.813 176.600 -0.041 0.000 0.988 115 E CA 3.700 60.082 56.400 -0.031 0.000 0.811 115 E CB -0.384 29.306 29.700 -0.017 0.000 0.746 115 E HN 0.447 8.704 8.360 -0.024 0.089 0.466 116 V N -0.879 119.012 119.914 -0.039 0.000 2.231 116 V HA -0.474 3.627 4.120 -0.031 0.000 0.250 116 V C 2.180 178.234 176.094 -0.067 0.000 1.058 116 V CA 3.656 65.931 62.300 -0.042 0.000 1.022 116 V CB -0.169 31.632 31.823 -0.036 0.000 0.640 116 V HN -0.054 8.090 8.190 -0.033 0.026 0.445 117 L N -3.011 118.161 121.223 -0.086 0.000 2.156 117 L HA -0.223 4.028 4.340 -0.148 0.000 0.208 117 L C 1.723 178.498 176.870 -0.158 0.000 1.095 117 L CA 2.436 57.196 54.840 -0.134 0.000 0.770 117 L CB -0.684 41.293 42.059 -0.137 0.000 0.914 117 L HN -0.651 7.534 8.230 -0.075 0.000 0.439 118 V N 0.929 120.775 119.914 -0.114 0.000 2.219 118 V HA -0.574 3.472 4.120 -0.123 0.000 0.248 118 V C 2.149 178.177 176.094 -0.110 0.000 1.053 118 V CA 4.594 66.830 62.300 -0.106 0.000 1.009 118 V CB -0.846 30.937 31.823 -0.066 0.000 0.636 118 V HN -0.583 7.447 8.190 -0.090 0.105 0.445 119 G N -4.894 103.860 108.800 -0.076 0.000 2.499 119 G HA2 -0.377 3.561 3.960 -0.036 0.000 0.221 119 G HA3 -0.377 3.562 3.960 -0.034 0.000 0.221 119 G C 1.132 175.979 174.900 -0.087 0.000 1.109 119 G CA 2.207 47.274 45.100 -0.055 0.000 0.749 119 G HN -0.095 8.157 8.290 -0.062 0.000 0.568 120 Q N 1.437 121.135 119.800 -0.170 0.000 2.020 120 Q HA -0.243 3.985 4.340 -0.187 0.000 0.198 120 Q C 2.565 178.237 176.000 -0.545 0.000 0.974 120 Q CA 2.814 58.425 55.803 -0.320 0.000 0.829 120 Q CB -0.124 28.381 28.738 -0.389 0.000 0.894 120 Q HN -0.556 7.445 8.270 -0.164 0.171 0.433 121 V N 0.308 119.942 119.914 -0.467 0.000 2.282 121 V HA -0.532 3.237 4.120 -0.585 0.000 0.249 121 V C 2.446 178.453 176.094 -0.145 0.000 1.057 121 V CA 4.559 66.629 62.300 -0.384 0.000 1.032 121 V CB -0.606 31.071 31.823 -0.243 0.000 0.645 121 V HN -0.163 7.806 8.190 -0.369 0.000 0.447 122 Q N -1.460 118.287 119.800 -0.088 0.000 2.020 122 Q HA -0.344 4.011 4.340 0.025 0.000 0.202 122 Q C 2.276 178.332 176.000 0.092 0.000 0.982 122 Q CA 2.594 58.402 55.803 0.008 0.000 0.838 122 Q CB -0.685 28.051 28.738 -0.003 0.000 0.899 122 Q HN -0.490 7.707 8.270 -0.122 0.000 0.423 123 E N -0.221 120.033 120.200 0.089 0.000 2.108 123 E HA -0.403 4.040 4.350 0.154 0.000 0.203 123 E C 2.569 179.379 176.600 0.349 0.000 1.022 123 E CA 3.158 59.675 56.400 0.195 0.000 0.823 123 E CB -0.065 29.763 29.700 0.213 0.000 0.744 123 E HN -0.712 7.659 8.360 0.020 0.000 0.456 124 W N -2.623 118.713 121.300 0.061 0.000 2.363 124 W HA -0.197 4.511 4.660 0.080 0.000 0.296 124 W C 2.286 178.871 176.519 0.110 0.000 1.212 124 W CA 2.248 59.641 57.345 0.081 0.000 1.260 124 W CB -0.987 28.516 29.460 0.072 0.000 1.131 124 W HN -0.266 8.130 8.180 0.362 0.002 0.530 125 M N -0.095 119.711 119.600 0.344 0.000 2.180 125 M HA -0.595 4.061 4.480 0.292 0.000 0.260 125 M C 2.045 178.470 176.300 0.208 0.000 1.071 125 M CA 4.738 60.202 55.300 0.273 0.000 1.096 125 M CB -0.161 32.592 32.600 0.254 0.000 1.276 125 M HN -0.455 7.910 8.290 0.308 0.110 0.426 126 V N -2.627 117.390 119.914 0.172 0.000 2.568 126 V HA -0.497 3.690 4.120 0.111 0.000 0.253 126 V C 1.641 177.807 176.094 0.120 0.000 1.072 126 V CA 3.862 66.239 62.300 0.129 0.000 1.084 126 V CB -1.249 30.641 31.823 0.112 0.000 0.676 126 V HN -0.482 7.811 8.190 0.172 0.000 0.469 127 A N 1.337 124.248 122.820 0.153 0.000 1.835 127 A HA -0.326 4.040 4.320 0.075 0.000 0.215 127 A C 1.547 179.193 177.584 0.103 0.000 1.199 127 A CA 3.197 55.303 52.037 0.114 0.000 0.615 127 A CB -0.696 18.374 19.000 0.118 0.000 0.838 127 A HN -0.478 7.647 8.150 0.197 0.143 0.444 128 Y N -0.406 119.914 120.300 0.033 0.000 2.352 128 Y HA -0.351 4.201 4.550 0.002 0.000 0.292 128 Y C 1.630 177.530 175.900 0.001 0.000 1.136 128 Y CA 3.183 61.291 58.100 0.013 0.000 1.227 128 Y CB 0.220 38.694 38.460 0.024 0.000 0.991 128 Y HN -0.457 8.000 8.280 0.295 0.000 0.545 129 L N -1.700 119.619 121.223 0.160 0.000 1.970 129 L HA -0.512 3.886 4.340 0.098 0.000 0.212 129 L C 1.176 178.044 176.870 -0.003 0.000 1.071 129 L CA 3.708 58.591 54.840 0.072 0.000 0.751 129 L CB 0.064 42.154 42.059 0.053 0.000 0.889 129 L HN -0.244 7.984 8.230 0.183 0.111 0.432 130 E N -4.539 115.654 120.200 -0.012 0.000 2.427 130 E HA -0.138 4.184 4.350 -0.046 0.000 0.196 130 E C 1.225 177.770 176.600 -0.091 0.000 1.028 130 E CA 2.042 58.416 56.400 -0.043 0.000 0.864 130 E CB 0.141 29.829 29.700 -0.020 0.000 0.813 130 E HN -0.653 7.717 8.360 0.017 0.000 0.514 131 T N 0.199 114.666 114.554 -0.146 0.000 2.739 131 T HA -0.084 4.172 4.350 -0.156 0.000 0.249 131 T C 0.820 175.333 174.700 -0.310 0.000 1.050 131 T CA 3.027 64.992 62.100 -0.225 0.000 1.165 131 T CB 0.384 69.087 68.868 -0.275 0.000 0.872 131 T HN -0.498 7.486 8.240 -0.127 0.181 0.411 132 R N -0.619 119.555 120.500 -0.544 0.000 2.307 132 R HA 0.212 4.363 4.340 -0.315 0.000 0.200 132 R C 1.034 177.213 176.300 -0.202 0.000 0.893 132 R CA 0.871 56.696 56.100 -0.459 0.000 1.042 132 R CB 1.256 31.130 30.300 -0.709 0.000 1.059 132 R HN -0.333 7.461 8.270 -0.794 0.000 0.530 133 L N -0.771 120.385 121.223 -0.110 0.000 2.592 133 L HA -0.039 4.472 4.340 0.285 0.000 0.227 133 L C 0.125 177.024 176.870 0.048 0.000 1.127 133 L CA 0.338 55.248 54.840 0.117 0.000 0.884 133 L CB 0.273 42.423 42.059 0.151 0.000 1.065 133 L HN -0.079 8.014 8.230 -0.229 0.000 0.457 134 A N -1.398 121.395 122.820 -0.045 0.000 2.066 134 A HA -0.285 4.011 4.320 -0.040 0.000 0.218 134 A C 1.370 178.944 177.584 -0.017 0.000 1.157 134 A CA 2.631 54.639 52.037 -0.048 0.000 0.670 134 A CB -0.748 18.205 19.000 -0.078 0.000 0.804 134 A HN 0.235 8.247 8.150 -0.101 0.078 0.453 135 D N -0.373 119.978 120.400 -0.081 0.000 2.165 135 D HA -0.140 4.486 4.640 -0.024 0.000 0.213 135 D C 1.355 177.649 176.300 -0.010 0.000 0.983 135 D CA 4.553 58.470 54.000 -0.138 0.000 0.881 135 D CB 0.374 40.910 40.800 -0.441 0.000 1.028 135 D HN -0.655 7.598 8.370 -0.135 0.036 0.457 136 W N -1.748 119.607 121.300 0.093 0.000 2.321 136 W HA -0.341 4.371 4.660 0.086 0.000 0.285 136 W C 2.369 178.956 176.519 0.114 0.000 1.213 136 W CA 1.720 59.129 57.345 0.108 0.000 1.205 136 W CB 0.039 29.595 29.460 0.159 0.000 1.134 136 W HN -0.185 7.820 8.180 -0.291 0.000 0.549 137 I N -2.645 118.103 120.570 0.297 0.000 2.400 137 I HA -0.319 3.967 4.170 0.193 0.000 0.248 137 I C 1.968 178.206 176.117 0.203 0.000 1.109 137 I CA 1.661 63.075 61.300 0.191 0.000 1.425 137 I CB -0.808 37.247 38.000 0.092 0.000 1.094 137 I HN -0.821 7.492 8.210 0.241 0.041 0.425 138 H N -0.164 118.960 119.070 0.091 0.000 2.422 138 H HA -0.266 4.331 4.556 0.069 0.000 0.298 138 H C 2.356 177.737 175.328 0.088 0.000 1.098 138 H CA 2.808 58.896 56.048 0.068 0.000 1.315 138 H CB -0.276 29.500 29.762 0.024 0.000 1.382 138 H HN -0.629 7.699 8.280 0.213 0.081 0.523 139 S N -0.799 115.051 115.700 0.250 0.000 2.344 139 S HA -0.185 4.361 4.470 0.127 0.000 0.217 139 S C 1.602 176.315 174.600 0.188 0.000 1.033 139 S CA 2.841 61.157 58.200 0.193 0.000 1.017 139 S CB 0.231 63.581 63.200 0.249 0.000 0.941 139 S HN -0.296 8.155 8.310 0.267 0.019 0.430 140 S N 0.008 115.835 115.700 0.212 0.000 2.522 140 S HA -0.012 4.558 4.470 0.167 0.000 0.227 140 S C 1.724 176.432 174.600 0.181 0.000 0.986 140 S CA 0.595 58.908 58.200 0.187 0.000 0.929 140 S CB 1.171 64.490 63.200 0.199 0.000 0.769 140 S HN -0.552 7.905 8.310 0.245 0.000 0.529 141 G N 1.662 110.579 108.800 0.195 0.000 2.363 141 G HA2 -0.312 3.756 3.960 0.214 0.000 0.238 141 G HA3 -0.312 3.755 3.960 0.179 0.000 0.238 141 G C -0.739 174.266 174.900 0.176 0.000 1.062 141 G CA 0.394 45.608 45.100 0.190 0.000 0.629 141 G HN 0.419 8.599 8.290 0.215 0.239 0.514 142 G N -1.409 107.496 108.800 0.174 0.000 2.384 142 G HA2 -0.119 3.866 3.960 0.041 0.000 0.113 142 G HA3 -0.119 3.977 3.960 0.228 0.000 0.113 142 G C -0.547 174.457 174.900 0.173 0.000 1.224 142 G CA -0.372 44.814 45.100 0.144 0.000 1.126 142 G HN -1.089 7.191 8.290 0.179 0.117 0.461 143 W N 1.156 122.584 121.300 0.214 0.000 2.424 143 W HA -0.303 4.589 4.660 0.387 0.000 0.264 143 W C 1.056 177.748 176.519 0.289 0.000 1.229 143 W CA 2.504 60.045 57.345 0.326 0.000 1.208 143 W CB -0.902 28.768 29.460 0.349 0.000 1.127 143 W HN 0.119 8.655 8.180 0.593 0.000 0.588 144 A N -0.381 122.666 122.820 0.378 0.000 1.894 144 A HA -0.368 4.071 4.320 0.199 0.000 0.220 144 A C 2.262 179.959 177.584 0.189 0.000 1.237 144 A CA 2.985 55.161 52.037 0.232 0.000 0.660 144 A CB -0.745 18.361 19.000 0.178 0.000 0.835 144 A HN 0.161 8.481 8.150 0.369 0.052 0.461 145 E N -2.411 117.912 120.200 0.206 0.000 2.153 145 E HA -0.357 4.059 4.350 0.110 0.000 0.194 145 E C 1.434 178.150 176.600 0.194 0.000 0.988 145 E CA 2.327 58.830 56.400 0.172 0.000 0.811 145 E CB -0.575 29.247 29.700 0.204 0.000 0.746 145 E HN -0.349 8.143 8.360 0.219 0.000 0.466 146 F N 0.352 120.396 119.950 0.156 0.000 2.113 146 F HA -0.175 4.447 4.527 0.159 0.000 0.297 146 F C 1.209 177.159 175.800 0.250 0.000 1.103 146 F CA 1.607 59.735 58.000 0.214 0.000 1.248 146 F CB 0.521 39.695 39.000 0.290 0.000 0.999 146 F HN -0.720 7.713 8.300 0.440 0.131 0.475 147 T N -1.044 113.423 114.554 -0.144 0.000 2.684 147 T HA -0.521 3.479 4.350 -0.584 0.000 0.267 147 T C 1.312 175.756 174.700 -0.428 0.000 1.036 147 T CA 3.784 65.671 62.100 -0.355 0.000 1.148 147 T CB 0.037 68.833 68.868 -0.119 0.000 0.863 147 T HN 0.214 8.453 8.240 0.170 0.103 0.436 148 A N -2.325 120.357 122.820 -0.230 0.000 2.251 148 A HA 0.124 4.266 4.320 -0.296 0.000 0.209 148 A C 0.659 178.098 177.584 -0.243 0.000 1.187 148 A CA 0.474 52.373 52.037 -0.230 0.000 0.823 148 A CB -0.250 18.678 19.000 -0.120 0.000 0.846 148 A HN -0.590 7.495 8.150 -0.108 0.000 0.486 149 L N -1.567 119.523 121.223 -0.221 0.000 2.034 149 L HA -0.152 3.998 4.340 -0.317 0.000 0.203 149 L C 1.367 178.086 176.870 -0.251 0.000 1.074 149 L CA 2.292 56.984 54.840 -0.247 0.000 0.748 149 L CB 0.777 42.759 42.059 -0.128 0.000 0.905 149 L HN -0.591 7.304 8.230 -0.185 0.224 0.439 150 Y N -5.819 114.333 120.300 -0.246 0.000 2.547 150 Y HA 0.071 4.502 4.550 -0.197 0.000 0.325 150 Y C 0.514 176.306 175.900 -0.180 0.000 1.165 150 Y CA -2.088 55.898 58.100 -0.191 0.000 1.300 150 Y CB -1.348 37.049 38.460 -0.105 0.000 1.126 150 Y HN -0.797 7.492 8.280 0.015 0.000 0.513 151 G N 1.255 109.741 108.800 -0.523 0.000 2.453 151 G HA2 -0.280 3.296 3.960 -0.641 0.000 0.215 151 G HA3 -0.280 3.454 3.960 -0.377 0.000 0.215 151 G C -0.369 174.380 174.900 -0.252 0.000 1.201 151 G CA 0.718 45.541 45.100 -0.462 0.000 0.784 151 G HN -0.183 7.740 8.290 -0.433 0.108 0.545 152 D N -1.087 119.205 120.400 -0.180 0.000 2.855 152 D HA 0.028 4.611 4.640 -0.095 0.000 0.241 152 D C -0.578 175.666 176.300 -0.093 0.000 1.277 152 D CA -0.631 53.301 54.000 -0.114 0.000 0.918 152 D CB -0.324 40.416 40.800 -0.099 0.000 1.462 152 D HN -0.428 7.824 8.370 -0.196 0.000 0.559 153 G N 0.180 108.941 108.800 -0.064 0.000 2.322 153 G HA2 -0.181 3.753 3.960 -0.044 0.000 0.289 153 G HA3 -0.181 3.738 3.960 -0.069 0.000 0.289 153 G C -1.696 173.185 174.900 -0.032 0.000 1.687 153 G CA 0.164 45.233 45.100 -0.052 0.000 0.944 153 G HN -0.098 8.161 8.290 -0.052 0.000 0.718 154 A N 0.812 123.618 122.820 -0.024 0.000 2.567 154 A HA -0.051 4.257 4.320 -0.020 0.000 0.240 154 A C 1.232 178.804 177.584 -0.020 0.000 1.053 154 A CA 0.299 52.325 52.037 -0.020 0.000 0.755 154 A CB 0.490 19.480 19.000 -0.016 0.000 0.978 154 A HN 0.239 8.376 8.150 -0.022 0.000 0.507 155 L N 3.334 124.540 121.223 -0.027 0.000 2.131 155 L HA -0.214 4.116 4.340 -0.016 0.000 0.206 155 L C 1.626 178.450 176.870 -0.077 0.000 1.087 155 L CA 1.949 56.766 54.840 -0.038 0.000 0.767 155 L CB -0.383 41.649 42.059 -0.045 0.000 0.917 155 L HN 0.245 8.459 8.230 -0.027 0.000 0.441 156 E N -1.647 118.499 120.200 -0.090 0.000 2.284 156 E HA -0.450 3.775 4.350 -0.209 0.000 0.200 156 E C 2.172 178.715 176.600 -0.096 0.000 1.008 156 E CA 3.417 59.742 56.400 -0.125 0.000 0.829 156 E CB -0.539 29.113 29.700 -0.080 0.000 0.744 156 E HN 0.523 8.842 8.360 -0.068 0.000 0.491 157 E N -1.474 118.704 120.200 -0.036 0.000 2.046 157 E HA -0.229 4.128 4.350 0.011 0.000 0.190 157 E C 2.093 178.721 176.600 0.047 0.000 0.982 157 E CA 2.496 58.906 56.400 0.017 0.000 0.800 157 E CB -0.372 29.360 29.700 0.054 0.000 0.756 157 E HN -0.731 7.552 8.360 -0.029 0.059 0.449 158 A N -1.022 121.836 122.820 0.062 0.000 1.908 158 A HA -0.277 4.187 4.320 0.240 0.000 0.218 158 A C 2.024 179.633 177.584 0.041 0.000 1.181 158 A CA 3.006 55.119 52.037 0.127 0.000 0.627 158 A CB -0.714 18.371 19.000 0.141 0.000 0.818 158 A HN -0.160 7.937 8.150 0.036 0.075 0.445 159 R N -2.187 118.226 120.500 -0.145 0.000 2.070 159 R HA -0.405 3.909 4.340 -0.043 0.000 0.227 159 R C 1.932 178.182 176.300 -0.084 0.000 1.147 159 R CA 2.609 58.491 56.100 -0.364 0.000 0.924 159 R CB -0.902 28.497 30.300 -1.501 0.000 0.827 159 R HN -0.574 7.583 8.270 -0.189 0.000 0.431 160 R N -0.426 119.999 120.500 -0.125 0.000 2.198 160 R HA -0.407 3.968 4.340 0.058 0.000 0.258 160 R C 1.727 178.071 176.300 0.073 0.000 1.173 160 R CA 3.085 59.192 56.100 0.011 0.000 0.991 160 R CB -0.354 29.941 30.300 -0.008 0.000 0.879 160 R HN -0.613 7.520 8.270 -0.228 0.000 0.460 161 L N -2.509 118.755 121.223 0.068 0.000 2.023 161 L HA -0.284 4.098 4.340 0.070 0.000 0.205 161 L C 1.636 178.579 176.870 0.122 0.000 1.073 161 L CA 3.336 58.226 54.840 0.083 0.000 0.745 161 L CB -0.250 41.855 42.059 0.076 0.000 0.900 161 L HN -0.474 7.752 8.230 0.045 0.031 0.435 162 R N -0.995 119.583 120.500 0.130 0.000 2.082 162 R HA -0.432 3.993 4.340 0.142 0.000 0.234 162 R C 1.881 178.262 176.300 0.135 0.000 1.136 162 R CA 3.495 59.656 56.100 0.102 0.000 0.935 162 R CB -0.597 29.712 30.300 0.015 0.000 0.842 162 R HN -0.100 8.181 8.270 0.120 0.060 0.430 163 E N -1.761 118.562 120.200 0.205 0.000 2.338 163 E HA -0.193 4.214 4.350 0.094 0.000 0.197 163 E C 2.561 179.282 176.600 0.202 0.000 1.007 163 E CA 2.398 58.916 56.400 0.197 0.000 0.849 163 E CB -0.484 29.428 29.700 0.353 0.000 0.774 163 E HN 0.145 8.599 8.360 0.326 0.101 0.506 164 G N 0.157 109.066 108.800 0.182 0.000 2.464 164 G HA2 -0.328 3.706 3.960 0.122 0.000 0.214 164 G HA3 -0.328 3.796 3.960 0.111 -0.097 0.214 164 G C 1.452 176.435 174.900 0.139 0.000 1.218 164 G CA 1.714 46.896 45.100 0.137 0.000 0.794 164 G HN -0.607 7.558 8.290 0.180 0.234 0.542 165 N N 2.837 121.635 118.700 0.163 0.000 2.142 165 N HA -0.159 4.624 4.740 0.071 0.000 0.186 165 N C 2.433 178.033 175.510 0.149 0.000 1.023 165 N CA 2.042 55.169 53.050 0.128 0.000 0.852 165 N CB -0.135 38.417 38.487 0.109 0.000 0.998 165 N HN -0.238 8.249 8.380 0.177 0.000 0.424 166 W N 0.628 121.930 121.300 0.005 0.000 2.381 166 W HA -0.313 4.353 4.660 0.011 0.000 0.321 166 W C 1.743 178.273 176.519 0.018 0.000 1.196 166 W CA 4.676 62.022 57.345 0.001 0.000 1.304 166 W CB -0.584 28.849 29.460 -0.046 0.000 1.166 166 W HN 0.110 8.605 8.180 0.525 0.000 0.473 167 A N -3.934 119.054 122.820 0.279 0.000 2.131 167 A HA -0.245 4.182 4.320 0.178 0.000 0.220 167 A C 1.162 178.815 177.584 0.116 0.000 1.158 167 A CA 2.133 54.273 52.037 0.172 0.000 0.665 167 A CB -0.740 18.341 19.000 0.136 0.000 0.795 167 A HN -0.325 7.900 8.150 0.304 0.108 0.460 168 S N -2.131 113.630 115.700 0.102 0.000 2.954 168 S HA -0.172 4.332 4.470 0.057 0.000 0.234 168 S C 0.544 175.165 174.600 0.036 0.000 0.978 168 S CA 0.259 58.495 58.200 0.059 0.000 1.045 168 S CB -0.600 62.627 63.200 0.045 0.000 0.807 168 S HN -0.435 7.788 8.310 0.130 0.165 0.508 169 V N -6.104 113.837 119.914 0.046 0.000 2.982 169 V HA -0.194 3.928 4.120 0.003 0.000 0.265 169 V C 0.124 176.233 176.094 0.026 0.000 1.122 169 V CA 0.597 62.913 62.300 0.028 0.000 1.143 169 V CB -0.803 31.048 31.823 0.047 0.000 0.726 169 V HN -0.892 7.181 8.190 0.072 0.160 0.507 170 R N 0.403 120.920 120.500 0.029 0.000 2.210 170 R HA 0.132 4.488 4.340 0.026 0.000 0.338 170 R C -0.529 175.776 176.300 0.007 0.000 1.062 170 R CA -0.297 55.817 56.100 0.023 0.000 0.902 170 R CB -0.843 29.474 30.300 0.028 0.000 1.050 170 R HN -0.598 7.604 8.270 0.036 0.090 0.461 171 L N 2.842 124.066 121.223 0.001 0.000 2.305 171 L HA 0.266 4.591 4.340 -0.025 0.000 0.261 171 L C 0.128 176.971 176.870 -0.045 0.000 1.100 171 L CA -1.594 53.235 54.840 -0.019 0.000 1.073 171 L CB 1.519 43.571 42.059 -0.011 0.000 1.656 171 L HN 0.073 8.310 8.230 0.012 0.000 0.536 172 E N 0.513 120.665 120.200 -0.080 0.000 2.187 172 E HA 0.382 4.596 4.350 -0.227 0.000 0.268 172 E C -0.764 175.751 176.600 -0.142 0.000 0.896 172 E CA -0.543 55.746 56.400 -0.184 0.000 0.766 172 E CB 0.729 30.301 29.700 -0.214 0.000 1.142 172 E HN -0.021 8.300 8.360 -0.065 0.000 0.408 173 H N 0.559 119.655 119.070 0.045 0.000 2.355 173 H HA 0.102 4.706 4.556 0.080 0.000 0.367 173 H C -0.971 174.407 175.328 0.083 0.000 1.912 173 H CA -0.800 55.289 56.048 0.069 0.000 1.424 173 H CB 0.832 30.624 29.762 0.051 0.000 1.612 173 H HN 0.185 8.114 8.280 -0.585 0.000 0.557 174 H N -0.331 118.889 119.070 0.250 0.000 2.508 174 H HA 0.151 4.797 4.556 0.150 0.000 0.344 174 H C -0.560 174.896 175.328 0.214 0.000 1.192 174 H CA -0.175 55.955 56.048 0.137 0.000 1.290 174 H CB 1.897 31.616 29.762 -0.073 0.000 1.571 174 H HN 0.045 8.567 8.280 0.403 0.000 0.555 175 H N 1.402 120.507 119.070 0.058 0.000 2.581 175 H HA 0.221 4.847 4.556 0.116 0.000 0.308 175 H C -0.339 175.085 175.328 0.160 0.000 1.040 175 H CA -0.494 55.607 56.048 0.090 0.000 1.231 175 H CB 0.383 30.171 29.762 0.044 0.000 1.396 175 H HN 0.120 8.537 8.280 0.228 0.000 0.467 176 H N 6.388 125.588 119.070 0.217 0.000 2.741 176 H HA 0.192 4.897 4.556 0.248 0.000 0.282 176 H C -0.491 174.959 175.328 0.204 0.000 1.122 176 H CA -0.792 55.375 56.048 0.198 0.000 1.293 176 H CB -0.449 29.375 29.762 0.103 0.000 1.415 176 H HN 0.434 8.791 8.280 0.129 0.000 0.472 177 H N 2.031 121.229 119.070 0.213 0.000 2.567 177 H HA 0.408 4.964 4.556 -0.001 0.000 0.345 177 H C -0.872 174.508 175.328 0.086 0.000 1.169 177 H CA -0.876 55.214 56.048 0.070 0.000 1.227 177 H CB 1.204 30.991 29.762 0.042 0.000 1.607 177 H HN 0.412 9.040 8.280 0.580 0.000 0.534 178 H N 0.000 119.085 119.070 0.025 0.000 2.539 178 H HA 0.000 4.465 4.556 -0.152 0.000 0.296 178 H CA 0.000 56.016 56.048 -0.054 0.000 1.023 178 H CB 0.000 29.738 29.762 -0.040 0.000 1.292 178 H HN 0.000 8.049 8.280 -0.385 0.000 0.496