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 3erz_1_C DATA FIRST_RESID 5 DATA SEQUENCE TSQVRQNYDQ DSEAAINRQI NLELYASYVY LSMSYYFDRD DVALKNFAKY DATA SEQUENCE FLHQSHEERC HAEKLMKLQN QRGGRIFLQD IKKPDRDDWE SGLNAMEAAL DATA SEQUENCE QLEKNVNQSL LELHKLATDK NDPHLCDFIE THYLNCQVCA IKCLGDHVTN DATA SEQUENCE LRKMGAPESG LAEYLFDKHT LG 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 5 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 5 T C 0.000 174.713 174.700 0.021 0.000 1.109 5 T CA 0.000 62.117 62.100 0.028 0.000 1.349 5 T CB 0.000 68.882 68.868 0.024 0.000 0.612 6 S N 0.804 116.519 115.700 0.024 0.000 2.525 6 S HA 0.209 4.677 4.470 -0.002 0.000 0.278 6 S C 1.535 176.137 174.600 0.003 0.000 1.234 6 S CA -0.449 57.757 58.200 0.010 0.000 1.058 6 S CB 0.924 64.129 63.200 0.008 0.000 0.983 6 S HN 0.777 9.087 8.310 -0.000 0.000 0.495 7 Q N 3.613 123.410 119.800 -0.006 0.000 2.226 7 Q HA -0.088 4.251 4.340 -0.002 0.000 0.204 7 Q C 1.447 177.437 176.000 -0.016 0.000 0.975 7 Q CA 1.885 57.683 55.803 -0.009 0.000 0.866 7 Q CB -0.583 28.148 28.738 -0.011 0.000 0.915 7 Q HN 0.668 8.938 8.270 -0.000 0.000 0.440 8 V N -2.157 117.742 119.914 -0.025 0.000 3.406 8 V HA 0.162 4.280 4.120 -0.002 0.000 0.263 8 V C 1.224 177.292 176.094 -0.043 0.000 1.172 8 V CA -0.135 62.140 62.300 -0.042 0.000 1.140 8 V CB -0.543 31.243 31.823 -0.062 0.000 0.784 8 V HN 0.147 8.336 8.190 -0.000 0.000 0.467 9 R N 1.988 122.479 120.500 -0.016 0.000 2.585 9 R HA 0.206 4.545 4.340 -0.002 0.000 0.275 9 R C -0.264 176.046 176.300 0.016 0.000 1.018 9 R CA 0.558 56.667 56.100 0.015 0.000 1.072 9 R CB 0.190 30.526 30.300 0.059 0.000 0.953 9 R HN 0.719 8.989 8.270 -0.000 0.000 0.419 10 Q N 3.478 123.296 119.800 0.030 0.000 2.842 10 Q HA 0.002 4.341 4.340 -0.002 0.000 0.215 10 Q C -1.214 174.813 176.000 0.046 0.000 0.764 10 Q CA -0.162 55.655 55.803 0.023 0.000 0.994 10 Q CB 0.294 29.025 28.738 -0.011 0.000 1.554 10 Q HN 0.821 9.091 8.270 -0.000 0.000 0.475 11 N N 2.128 120.868 118.700 0.068 0.000 2.862 11 N HA -0.237 4.502 4.740 -0.002 0.000 0.248 11 N C -2.270 173.328 175.510 0.148 0.000 1.116 11 N CA 0.800 53.895 53.050 0.076 0.000 0.727 11 N CB -1.180 37.338 38.487 0.052 0.000 1.083 11 N HN 0.580 8.960 8.380 -0.000 0.000 0.555 12 Y N 1.257 121.554 120.300 -0.006 0.000 2.575 12 Y HA 0.391 4.940 4.550 -0.002 0.000 0.326 12 Y C 0.149 176.047 175.900 -0.004 0.000 0.979 12 Y CA -1.490 56.608 58.100 -0.004 0.000 1.286 12 Y CB 0.177 38.632 38.460 -0.007 0.000 1.093 12 Y HN 0.208 8.488 8.280 -0.000 0.000 0.501 13 D N 2.867 123.157 120.400 -0.184 0.000 2.364 13 D HA -0.074 4.564 4.640 -0.002 0.000 0.236 13 D C 0.697 176.809 176.300 -0.313 0.000 1.221 13 D CA 0.275 54.156 54.000 -0.198 0.000 0.891 13 D CB 1.299 42.017 40.800 -0.136 0.000 1.190 13 D HN 0.629 8.999 8.370 -0.000 0.000 0.449 14 Q N 1.091 120.783 119.800 -0.180 0.000 2.046 14 Q HA -0.115 4.223 4.340 -0.002 0.000 0.200 14 Q C 1.456 177.361 176.000 -0.159 0.000 0.975 14 Q CA 1.258 56.970 55.803 -0.152 0.000 0.836 14 Q CB -0.155 28.534 28.738 -0.082 0.000 0.896 14 Q HN 0.559 8.829 8.270 -0.000 0.000 0.428 15 D N 0.060 120.380 120.400 -0.135 0.000 2.144 15 D HA -0.067 4.572 4.640 -0.002 0.000 0.200 15 D C 1.973 178.191 176.300 -0.136 0.000 0.978 15 D CA 0.805 54.741 54.000 -0.108 0.000 0.833 15 D CB 0.046 40.798 40.800 -0.079 0.000 0.961 15 D HN 0.057 8.427 8.370 -0.000 0.000 0.470 16 S N 0.762 116.336 115.700 -0.210 0.000 2.351 16 S HA -0.206 4.262 4.470 -0.002 0.000 0.220 16 S C 1.878 176.316 174.600 -0.269 0.000 1.035 16 S CA 1.317 59.374 58.200 -0.237 0.000 1.031 16 S CB -0.236 62.758 63.200 -0.344 0.000 0.928 16 S HN 0.385 8.695 8.310 -0.000 0.000 0.433 17 E N 1.302 121.210 120.200 -0.488 0.000 2.033 17 E HA -0.237 4.112 4.350 -0.002 0.000 0.199 17 E C 2.147 178.723 176.600 -0.041 0.000 1.011 17 E CA 1.333 57.573 56.400 -0.267 0.000 0.815 17 E CB -0.375 29.179 29.700 -0.244 0.000 0.755 17 E HN 0.448 8.808 8.360 -0.000 0.000 0.451 18 A N 0.989 123.779 122.820 -0.050 0.000 1.940 18 A HA -0.161 4.158 4.320 -0.002 0.000 0.219 18 A C 2.402 179.988 177.584 0.002 0.000 1.176 18 A CA 2.121 54.156 52.037 -0.003 0.000 0.631 18 A CB -0.903 18.079 19.000 -0.030 0.000 0.814 18 A HN 0.478 8.628 8.150 -0.000 0.000 0.446 19 A N -0.319 122.487 122.820 -0.023 0.000 1.877 19 A HA -0.064 4.255 4.320 -0.002 0.000 0.216 19 A C 1.990 179.581 177.584 0.013 0.000 1.186 19 A CA 1.747 53.778 52.037 -0.011 0.000 0.620 19 A CB -0.565 18.419 19.000 -0.026 0.000 0.822 19 A HN 0.400 8.550 8.150 -0.000 0.000 0.443 20 I N 0.933 121.520 120.570 0.028 0.000 2.127 20 I HA -0.252 3.917 4.170 -0.002 0.000 0.241 20 I C 2.163 178.319 176.117 0.064 0.000 1.075 20 I CA 1.280 62.611 61.300 0.052 0.000 1.334 20 I CB -0.746 37.313 38.000 0.099 0.000 1.040 20 I HN 0.320 8.530 8.210 -0.000 0.000 0.405 21 N N 0.227 118.976 118.700 0.082 0.000 2.132 21 N HA -0.264 4.474 4.740 -0.002 0.000 0.191 21 N C 2.103 177.660 175.510 0.079 0.000 1.015 21 N CA 1.437 54.547 53.050 0.099 0.000 0.864 21 N CB -0.250 38.322 38.487 0.141 0.000 1.006 21 N HN 0.301 8.681 8.380 -0.000 0.000 0.430 22 R N 1.032 121.566 120.500 0.056 0.000 2.066 22 R HA -0.112 4.226 4.340 -0.002 0.000 0.232 22 R C 2.240 178.566 176.300 0.045 0.000 1.131 22 R CA 1.385 57.509 56.100 0.040 0.000 0.955 22 R CB -0.310 30.002 30.300 0.020 0.000 0.851 22 R HN 0.086 8.356 8.270 -0.000 0.000 0.432 23 Q N 0.540 120.363 119.800 0.039 0.000 2.084 23 Q HA -0.098 4.241 4.340 -0.002 0.000 0.202 23 Q C 1.848 177.892 176.000 0.072 0.000 0.978 23 Q CA 1.861 57.687 55.803 0.039 0.000 0.844 23 Q CB -0.224 28.512 28.738 -0.003 0.000 0.898 23 Q HN 0.476 8.746 8.270 -0.000 0.000 0.426 24 I N 0.660 121.277 120.570 0.079 0.000 2.151 24 I HA -0.340 3.829 4.170 -0.002 0.000 0.243 24 I C 2.404 178.590 176.117 0.115 0.000 1.080 24 I CA 1.501 62.864 61.300 0.105 0.000 1.339 24 I CB -0.591 37.465 38.000 0.095 0.000 1.039 24 I HN 0.429 8.639 8.210 -0.000 0.000 0.409 25 N N 1.306 120.066 118.700 0.100 0.000 2.084 25 N HA -0.204 4.535 4.740 -0.002 0.000 0.190 25 N C 2.031 177.630 175.510 0.147 0.000 1.030 25 N CA 1.424 54.539 53.050 0.109 0.000 0.849 25 N CB -0.116 38.418 38.487 0.078 0.000 1.012 25 N HN 0.187 8.567 8.380 -0.000 0.000 0.423 26 L N 2.333 123.632 121.223 0.127 0.000 2.042 26 L HA -0.116 4.223 4.340 -0.002 0.000 0.210 26 L C 2.171 179.182 176.870 0.234 0.000 1.076 26 L CA 1.768 56.707 54.840 0.166 0.000 0.749 26 L CB -0.850 41.276 42.059 0.111 0.000 0.893 26 L HN 0.105 8.335 8.230 -0.000 0.000 0.432 27 E N -0.264 120.057 120.200 0.202 0.000 2.077 27 E HA -0.205 4.144 4.350 -0.002 0.000 0.193 27 E C 2.344 179.069 176.600 0.209 0.000 0.989 27 E CA 1.519 58.057 56.400 0.230 0.000 0.800 27 E CB -0.413 29.442 29.700 0.258 0.000 0.746 27 E HN 0.541 8.901 8.360 -0.000 0.000 0.452 28 L N 0.006 121.342 121.223 0.188 0.000 2.083 28 L HA -0.209 4.130 4.340 -0.002 0.000 0.209 28 L C 2.580 179.566 176.870 0.193 0.000 1.083 28 L CA 1.210 56.145 54.840 0.157 0.000 0.752 28 L CB -0.544 41.588 42.059 0.121 0.000 0.899 28 L HN 0.147 8.377 8.230 -0.000 0.000 0.433 29 Y N 0.941 121.310 120.300 0.116 0.000 2.114 29 Y HA -0.308 4.241 4.550 -0.002 0.000 0.284 29 Y C 2.526 178.497 175.900 0.119 0.000 1.143 29 Y CA 1.389 59.572 58.100 0.138 0.000 1.135 29 Y CB -0.472 38.048 38.460 0.101 0.000 0.980 29 Y HN 0.096 8.376 8.280 -0.000 0.000 0.499 30 A N -0.730 122.108 122.820 0.031 0.000 1.917 30 A HA -0.270 4.049 4.320 -0.002 0.000 0.219 30 A C 2.537 180.028 177.584 -0.154 0.000 1.182 30 A CA 2.262 54.204 52.037 -0.159 0.000 0.633 30 A CB -1.557 17.458 19.000 0.024 0.000 0.819 30 A HN 0.556 8.706 8.150 -0.000 0.000 0.448 31 S N -2.059 113.682 115.700 0.068 0.000 2.359 31 S HA -0.207 4.262 4.470 -0.002 0.000 0.224 31 S C 1.956 176.668 174.600 0.188 0.000 1.035 31 S CA 1.694 59.997 58.200 0.171 0.000 1.018 31 S CB -0.528 62.770 63.200 0.163 0.000 0.876 31 S HN 0.617 8.927 8.310 -0.000 0.000 0.448 32 Y N 2.079 122.352 120.300 -0.044 0.000 2.293 32 Y HA -0.009 4.539 4.550 -0.002 0.000 0.291 32 Y C 2.266 178.099 175.900 -0.112 0.000 1.137 32 Y CA 0.581 58.653 58.100 -0.047 0.000 1.202 32 Y CB -0.816 37.615 38.460 -0.047 0.000 0.990 32 Y HN 0.129 8.409 8.280 -0.000 0.000 0.537 33 V N -0.875 118.901 119.914 -0.231 0.000 2.261 33 V HA -0.355 3.763 4.120 -0.002 0.000 0.246 33 V C 2.074 178.014 176.094 -0.256 0.000 1.047 33 V CA 2.194 64.279 62.300 -0.358 0.000 1.015 33 V CB -1.101 30.372 31.823 -0.583 0.000 0.642 33 V HN 0.380 8.570 8.190 -0.000 0.000 0.446 34 Y N -0.750 119.463 120.300 -0.146 0.000 2.207 34 Y HA -0.272 4.276 4.550 -0.002 0.000 0.287 34 Y C 2.401 178.293 175.900 -0.014 0.000 1.156 34 Y CA 1.227 59.256 58.100 -0.118 0.000 1.182 34 Y CB -0.220 38.251 38.460 0.018 0.000 0.979 34 Y HN 0.229 8.509 8.280 -0.000 0.000 0.521 35 L N -0.265 121.108 121.223 0.249 0.000 2.012 35 L HA -0.250 4.089 4.340 -0.002 0.000 0.210 35 L C 2.634 179.674 176.870 0.283 0.000 1.073 35 L CA 2.133 57.156 54.840 0.305 0.000 0.748 35 L CB -1.156 41.113 42.059 0.350 0.000 0.891 35 L HN 0.172 8.402 8.230 -0.000 0.000 0.431 36 S N -0.857 114.922 115.700 0.132 0.000 2.353 36 S HA -0.282 4.186 4.470 -0.002 0.000 0.222 36 S C 2.051 176.764 174.600 0.188 0.000 1.035 36 S CA 2.014 60.317 58.200 0.171 0.000 1.025 36 S CB -0.296 63.010 63.200 0.176 0.000 0.902 36 S HN 0.520 8.830 8.310 -0.000 0.000 0.440 37 M N 0.832 120.299 119.600 -0.223 0.000 2.082 37 M HA -0.122 4.357 4.480 -0.002 0.000 0.258 37 M C 2.611 178.966 176.300 0.092 0.000 1.071 37 M CA 1.914 56.864 55.300 -0.583 0.000 1.103 37 M CB -1.097 30.815 32.600 -1.147 0.000 1.307 37 M HN 0.484 8.774 8.290 -0.000 0.000 0.409 38 S N -0.113 115.709 115.700 0.204 0.000 2.401 38 S HA -0.238 4.231 4.470 -0.002 0.000 0.236 38 S C 1.713 176.411 174.600 0.163 0.000 1.058 38 S CA 1.888 60.262 58.200 0.290 0.000 1.151 38 S CB -0.567 62.735 63.200 0.170 0.000 1.049 38 S HN 0.467 8.777 8.310 -0.000 0.000 0.432 39 Y N 0.075 120.513 120.300 0.230 0.000 2.639 39 Y HA -0.005 4.544 4.550 -0.002 0.000 0.297 39 Y C 1.983 177.995 175.900 0.187 0.000 1.151 39 Y CA 0.926 59.140 58.100 0.190 0.000 1.335 39 Y CB -0.571 37.978 38.460 0.150 0.000 0.994 39 Y HN 0.559 8.839 8.280 -0.000 0.000 0.548 40 Y N -0.886 119.509 120.300 0.159 0.000 2.184 40 Y HA -0.184 4.365 4.550 -0.002 0.000 0.290 40 Y C 1.537 177.385 175.900 -0.086 0.000 1.129 40 Y CA 1.308 59.419 58.100 0.019 0.000 1.144 40 Y CB -0.835 37.603 38.460 -0.037 0.000 0.995 40 Y HN 0.041 8.321 8.280 -0.000 0.000 0.513 41 F N 0.339 120.314 119.950 0.042 0.000 2.699 41 F HA -0.032 4.494 4.527 -0.002 0.000 0.298 41 F C 1.757 177.513 175.800 -0.073 0.000 1.154 41 F CA 1.322 59.282 58.000 -0.067 0.000 1.457 41 F CB -0.276 38.819 39.000 0.158 0.000 1.106 41 F HN 0.159 8.459 8.300 -0.000 0.000 0.585 42 D N -0.013 120.433 120.400 0.076 0.000 2.340 42 D HA -0.010 4.628 4.640 -0.002 0.000 0.220 42 D C 0.657 176.965 176.300 0.013 0.000 1.039 42 D CA 0.093 54.107 54.000 0.023 0.000 0.866 42 D CB 0.183 40.949 40.800 -0.058 0.000 0.913 42 D HN 0.062 8.432 8.370 -0.000 0.000 0.523 43 R N 0.862 121.329 120.500 -0.054 0.000 2.543 43 R HA 0.067 4.405 4.340 -0.002 0.000 0.277 43 R C 1.311 177.577 176.300 -0.057 0.000 1.074 43 R CA 0.342 56.402 56.100 -0.067 0.000 1.076 43 R CB 0.558 30.759 30.300 -0.165 0.000 0.993 43 R HN 0.270 8.540 8.270 -0.000 0.000 0.459 44 D N 2.065 122.451 120.400 -0.023 0.000 2.309 44 D HA -0.190 4.449 4.640 -0.002 0.000 0.212 44 D C 0.374 176.660 176.300 -0.024 0.000 0.968 44 D CA 1.102 55.096 54.000 -0.011 0.000 0.882 44 D CB 0.037 40.837 40.800 0.002 0.000 0.918 44 D HN 0.633 9.003 8.370 -0.000 0.000 0.503 45 D N 0.276 120.643 120.400 -0.055 0.000 2.369 45 D HA 0.000 4.639 4.640 -0.002 0.000 0.211 45 D C 1.620 177.867 176.300 -0.088 0.000 1.077 45 D CA -0.156 53.811 54.000 -0.055 0.000 0.842 45 D CB 0.477 41.247 40.800 -0.050 0.000 0.947 45 D HN 0.245 8.615 8.370 -0.000 0.000 0.509 46 V N 0.438 120.274 119.914 -0.130 0.000 2.948 46 V HA 0.331 4.450 4.120 -0.002 0.000 0.234 46 V C 1.026 177.114 176.094 -0.011 0.000 1.205 46 V CA 0.352 62.559 62.300 -0.156 0.000 1.234 46 V CB -0.470 31.082 31.823 -0.451 0.000 1.020 46 V HN 0.344 8.534 8.190 -0.000 0.000 0.491 47 A N 1.158 123.978 122.820 0.001 0.000 2.091 47 A HA -0.198 4.121 4.320 -0.002 0.000 0.270 47 A C -0.131 177.520 177.584 0.113 0.000 1.368 47 A CA 0.986 53.058 52.037 0.058 0.000 0.745 47 A CB -1.716 17.317 19.000 0.055 0.000 1.173 47 A HN 0.524 8.674 8.150 -0.000 0.000 0.322 48 L N 1.820 123.136 121.223 0.155 0.000 2.475 48 L HA 0.196 4.535 4.340 -0.002 0.000 0.253 48 L C 1.325 178.292 176.870 0.162 0.000 1.483 48 L CA -0.902 54.045 54.840 0.179 0.000 0.869 48 L CB 0.807 42.993 42.059 0.212 0.000 1.086 48 L HN 0.454 8.684 8.230 -0.000 0.000 0.514 49 K N 0.435 120.878 120.400 0.072 0.000 2.052 49 K HA -0.207 4.112 4.320 -0.002 0.000 0.215 49 K C 1.357 177.946 176.600 -0.018 0.000 1.053 49 K CA 1.698 57.996 56.287 0.019 0.000 0.934 49 K CB -0.127 32.361 32.500 -0.020 0.000 0.717 49 K HN 0.521 8.771 8.250 -0.000 0.000 0.450 50 N N 0.163 118.817 118.700 -0.077 0.000 2.149 50 N HA -0.127 4.612 4.740 -0.002 0.000 0.188 50 N C 2.013 177.380 175.510 -0.237 0.000 1.019 50 N CA 1.076 54.010 53.050 -0.195 0.000 0.857 50 N CB -0.409 37.886 38.487 -0.320 0.000 0.997 50 N HN 0.147 8.527 8.380 -0.000 0.000 0.426 51 F N 1.628 121.404 119.950 -0.288 0.000 2.075 51 F HA -0.100 4.426 4.527 -0.002 0.000 0.297 51 F C 2.515 178.237 175.800 -0.130 0.000 1.113 51 F CA 1.169 58.919 58.000 -0.416 0.000 1.218 51 F CB -0.655 37.806 39.000 -0.899 0.000 0.984 51 F HN 0.004 8.304 8.300 -0.000 0.000 0.472 52 A N -0.230 122.713 122.820 0.204 0.000 1.892 52 A HA -0.310 4.009 4.320 -0.002 0.000 0.218 52 A C 2.124 179.730 177.584 0.036 0.000 1.188 52 A CA 2.238 54.384 52.037 0.182 0.000 0.631 52 A CB -0.813 18.229 19.000 0.070 0.000 0.822 52 A HN 0.260 8.410 8.150 -0.000 0.000 0.447 53 K N -1.167 119.213 120.400 -0.033 0.000 2.001 53 K HA -0.209 4.109 4.320 -0.002 0.000 0.214 53 K C 1.837 178.376 176.600 -0.102 0.000 1.050 53 K CA 2.104 58.342 56.287 -0.082 0.000 0.934 53 K CB -0.825 31.611 32.500 -0.106 0.000 0.718 53 K HN 0.508 8.758 8.250 -0.000 0.000 0.443 54 Y N 0.037 120.143 120.300 -0.324 0.000 2.053 54 Y HA -0.276 4.272 4.550 -0.003 0.000 0.277 54 Y C 1.878 177.538 175.900 -0.401 0.000 1.159 54 Y CA 2.344 60.163 58.100 -0.468 0.000 1.125 54 Y CB -0.707 37.291 38.460 -0.769 0.000 0.969 54 Y HN 0.140 8.420 8.280 -0.000 0.000 0.492 55 F N -0.963 118.888 119.950 -0.165 0.000 2.171 55 F HA -0.231 4.295 4.527 -0.002 0.000 0.300 55 F C 2.273 177.912 175.800 -0.268 0.000 1.090 55 F CA 0.974 58.803 58.000 -0.284 0.000 1.293 55 F CB -0.666 38.337 39.000 0.005 0.000 1.013 55 F HN 0.189 8.489 8.300 -0.000 0.000 0.486 56 L N -0.167 121.047 121.223 -0.014 0.000 2.079 56 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 56 L C 2.528 179.180 176.870 -0.363 0.000 1.081 56 L CA 1.910 56.668 54.840 -0.136 0.000 0.752 56 L CB -1.094 40.872 42.059 -0.155 0.000 0.896 56 L HN 0.228 8.458 8.230 -0.000 0.000 0.433 57 H N -1.049 117.779 119.070 -0.403 0.000 2.326 57 H HA -0.120 4.434 4.556 -0.003 0.000 0.301 57 H C 1.960 177.065 175.328 -0.372 0.000 1.081 57 H CA 1.676 57.486 56.048 -0.396 0.000 1.334 57 H CB 0.199 29.753 29.762 -0.347 0.000 1.385 57 H HN 0.394 8.674 8.280 -0.000 0.000 0.504 58 Q N 0.432 120.052 119.800 -0.300 0.000 2.124 58 Q HA -0.119 4.220 4.340 -0.002 0.000 0.202 58 Q C 2.561 178.429 176.000 -0.221 0.000 0.977 58 Q CA 1.234 56.782 55.803 -0.425 0.000 0.850 58 Q CB -0.481 27.635 28.738 -1.036 0.000 0.901 58 Q HN 0.380 8.650 8.270 -0.000 0.000 0.429 59 S N -0.451 115.194 115.700 -0.093 0.000 2.359 59 S HA -0.184 4.285 4.470 -0.002 0.000 0.224 59 S C 1.703 176.406 174.600 0.172 0.000 1.035 59 S CA 1.297 59.609 58.200 0.187 0.000 1.018 59 S CB -0.173 63.155 63.200 0.214 0.000 0.876 59 S HN 0.566 8.876 8.310 -0.000 0.000 0.448 60 H N 0.021 119.032 119.070 -0.098 0.000 2.389 60 H HA 0.013 4.567 4.556 -0.003 0.000 0.299 60 H C 2.448 177.638 175.328 -0.230 0.000 1.081 60 H CA 1.118 57.074 56.048 -0.154 0.000 1.345 60 H CB -0.083 29.548 29.762 -0.218 0.000 1.393 60 H HN 0.459 8.739 8.280 -0.000 0.000 0.520 61 E N 1.012 121.085 120.200 -0.211 0.000 2.049 61 E HA -0.211 4.137 4.350 -0.002 0.000 0.198 61 E C 1.962 178.280 176.600 -0.470 0.000 1.007 61 E CA 1.223 57.413 56.400 -0.349 0.000 0.809 61 E CB 0.186 29.713 29.700 -0.289 0.000 0.749 61 E HN 0.370 8.730 8.360 -0.000 0.000 0.450 62 E N 0.388 120.467 120.200 -0.202 0.000 2.077 62 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 62 E C 1.997 178.630 176.600 0.054 0.000 0.989 62 E CA 0.617 57.001 56.400 -0.026 0.000 0.800 62 E CB -0.330 29.497 29.700 0.211 0.000 0.746 62 E HN 0.093 8.453 8.360 -0.000 0.000 0.452 63 R N 0.057 120.587 120.500 0.050 0.000 2.096 63 R HA -0.091 4.248 4.340 -0.002 0.000 0.235 63 R C 2.283 178.612 176.300 0.048 0.000 1.127 63 R CA 1.009 57.146 56.100 0.062 0.000 0.968 63 R CB -0.886 29.435 30.300 0.035 0.000 0.861 63 R HN 0.280 8.550 8.270 -0.000 0.000 0.440 64 C N -0.449 118.843 119.300 -0.013 0.000 2.453 64 C HA -0.081 4.377 4.460 -0.002 0.000 0.277 64 C C 2.390 177.461 174.990 0.135 0.000 1.262 64 C CA 0.776 59.799 59.018 0.008 0.000 1.718 64 C CB -1.017 26.683 27.740 -0.066 0.000 2.031 64 C HN 0.585 8.815 8.230 -0.000 0.000 0.480 65 H N 0.016 119.134 119.070 0.081 0.000 2.353 65 H HA -0.181 4.374 4.556 -0.002 0.000 0.298 65 H C 2.373 177.869 175.328 0.279 0.000 1.103 65 H CA 1.408 57.552 56.048 0.161 0.000 1.293 65 H CB -0.096 29.792 29.762 0.210 0.000 1.372 65 H HN 0.563 8.843 8.280 -0.000 0.000 0.501 66 A N 1.298 124.319 122.820 0.335 0.000 1.851 66 A HA -0.243 4.076 4.320 -0.002 0.000 0.216 66 A C 2.132 179.839 177.584 0.206 0.000 1.195 66 A CA 1.936 54.120 52.037 0.246 0.000 0.622 66 A CB -0.539 18.563 19.000 0.171 0.000 0.831 66 A HN 0.475 8.625 8.150 -0.000 0.000 0.444 67 E N -0.662 119.633 120.200 0.158 0.000 2.097 67 E HA -0.238 4.111 4.350 -0.002 0.000 0.196 67 E C 2.117 178.813 176.600 0.162 0.000 1.000 67 E CA 1.475 57.948 56.400 0.122 0.000 0.804 67 E CB -0.146 29.601 29.700 0.077 0.000 0.740 67 E HN 0.620 8.980 8.360 -0.000 0.000 0.454 68 K N 0.461 121.000 120.400 0.231 0.000 2.148 68 K HA -0.156 4.163 4.320 -0.002 0.000 0.204 68 K C 2.010 178.842 176.600 0.386 0.000 1.050 68 K CA 0.517 56.990 56.287 0.310 0.000 0.942 68 K CB 0.070 32.781 32.500 0.352 0.000 0.724 68 K HN 0.021 8.271 8.250 -0.000 0.000 0.446 69 L N 1.024 122.474 121.223 0.377 0.000 2.093 69 L HA -0.076 4.262 4.340 -0.002 0.000 0.208 69 L C 2.105 179.053 176.870 0.131 0.000 1.085 69 L CA 1.556 56.568 54.840 0.286 0.000 0.755 69 L CB -0.329 41.873 42.059 0.238 0.000 0.904 69 L HN 0.246 8.476 8.230 -0.000 0.000 0.435 70 M N -1.490 118.180 119.600 0.116 0.000 2.175 70 M HA -0.188 4.290 4.480 -0.002 0.000 0.264 70 M C 2.165 178.480 176.300 0.024 0.000 1.063 70 M CA 1.233 56.566 55.300 0.056 0.000 1.119 70 M CB -0.385 32.246 32.600 0.051 0.000 1.377 70 M HN 0.110 8.400 8.290 -0.000 0.000 0.415 71 K N 0.964 121.394 120.400 0.050 0.000 2.097 71 K HA -0.166 4.152 4.320 -0.002 0.000 0.205 71 K C 1.976 178.548 176.600 -0.047 0.000 1.050 71 K CA 1.132 57.433 56.287 0.022 0.000 0.938 71 K CB -0.245 32.300 32.500 0.075 0.000 0.718 71 K HN 0.207 8.457 8.250 -0.000 0.000 0.442 72 L N 1.797 122.963 121.223 -0.095 0.000 1.994 72 L HA -0.221 4.117 4.340 -0.002 0.000 0.208 72 L C 2.517 179.237 176.870 -0.251 0.000 1.071 72 L CA 1.936 56.590 54.840 -0.309 0.000 0.745 72 L CB -0.834 40.883 42.059 -0.571 0.000 0.892 72 L HN 0.154 8.384 8.230 -0.000 0.000 0.431 73 Q N 0.016 119.734 119.800 -0.136 0.000 2.062 73 Q HA -0.280 4.058 4.340 -0.002 0.000 0.209 73 Q C 2.092 178.015 176.000 -0.129 0.000 0.996 73 Q CA 2.532 58.285 55.803 -0.083 0.000 0.859 73 Q CB -0.418 28.325 28.738 0.009 0.000 0.920 73 Q HN 0.590 8.860 8.270 -0.000 0.000 0.415 74 N N -0.380 118.262 118.700 -0.098 0.000 2.223 74 N HA -0.132 4.607 4.740 -0.002 0.000 0.185 74 N C 1.527 176.965 175.510 -0.121 0.000 1.016 74 N CA 1.111 54.105 53.050 -0.092 0.000 0.863 74 N CB -0.164 38.285 38.487 -0.064 0.000 0.983 74 N HN 0.392 8.772 8.380 -0.000 0.000 0.429 75 Q N 0.037 119.748 119.800 -0.148 0.000 2.170 75 Q HA 0.054 4.392 4.340 -0.002 0.000 0.203 75 Q C 1.139 177.006 176.000 -0.221 0.000 0.976 75 Q CA 0.982 56.691 55.803 -0.157 0.000 0.858 75 Q CB 0.180 28.831 28.738 -0.145 0.000 0.907 75 Q HN 0.300 8.570 8.270 -0.000 0.000 0.433 76 R N -1.563 118.731 120.500 -0.343 0.000 2.334 76 R HA 0.129 4.467 4.340 -0.002 0.000 0.216 76 R C 0.827 176.931 176.300 -0.326 0.000 0.905 76 R CA 0.620 56.441 56.100 -0.464 0.000 1.064 76 R CB 0.987 30.727 30.300 -0.933 0.000 1.046 76 R HN 0.360 8.630 8.270 -0.000 0.000 0.508 77 G N 0.425 109.115 108.800 -0.183 0.000 2.194 77 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.236 77 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.236 77 G C 0.482 175.411 174.900 0.049 0.000 0.987 77 G CA -0.217 44.855 45.100 -0.047 0.000 0.635 77 G HN 0.530 8.820 8.290 -0.000 0.000 0.520 78 G N -0.342 108.512 108.800 0.089 0.000 2.606 78 G HA2 0.509 4.468 3.960 -0.002 0.000 0.252 78 G HA3 0.509 4.468 3.960 -0.002 0.000 0.252 78 G C -0.037 174.919 174.900 0.094 0.000 1.206 78 G CA -0.362 44.908 45.100 0.284 0.000 0.861 78 G HN 0.321 8.611 8.290 -0.000 0.000 0.561 79 R N 0.107 120.653 120.500 0.077 0.000 2.445 79 R HA 0.318 4.656 4.340 -0.002 0.000 0.308 79 R C -0.030 176.153 176.300 -0.195 0.000 0.961 79 R CA -0.726 55.313 56.100 -0.102 0.000 0.862 79 R CB 1.688 31.899 30.300 -0.147 0.000 1.144 79 R HN 0.463 8.733 8.270 -0.000 0.000 0.447 80 I N 3.307 123.709 120.570 -0.280 0.000 2.529 80 I HA 0.167 4.335 4.170 -0.002 0.000 0.284 80 I C -0.140 175.695 176.117 -0.469 0.000 1.082 80 I CA 0.391 61.559 61.300 -0.220 0.000 1.406 80 I CB 0.300 38.220 38.000 -0.134 0.000 1.405 80 I HN 0.337 8.547 8.210 -0.000 0.000 0.548 81 F N 6.443 126.408 119.950 0.026 0.000 2.771 81 F HA 0.403 4.929 4.527 -0.002 0.000 0.365 81 F C -0.167 175.646 175.800 0.020 0.000 1.169 81 F CA -0.573 57.438 58.000 0.019 0.000 1.093 81 F CB 1.023 40.031 39.000 0.014 0.000 1.363 81 F HN 0.195 8.495 8.300 -0.000 0.000 0.496 82 L N 3.873 125.187 121.223 0.152 0.000 2.417 82 L HA 0.344 4.683 4.340 -0.002 0.000 0.268 82 L C 0.026 176.960 176.870 0.108 0.000 1.158 82 L CA -0.434 54.469 54.840 0.105 0.000 0.819 82 L CB 0.490 42.586 42.059 0.060 0.000 1.112 82 L HN 0.474 8.704 8.230 -0.000 0.000 0.458 83 Q N 0.517 120.366 119.800 0.082 0.000 2.552 83 Q HA 0.375 4.714 4.340 -0.002 0.000 0.289 83 Q C -1.216 174.817 176.000 0.056 0.000 1.097 83 Q CA -0.940 54.902 55.803 0.065 0.000 0.812 83 Q CB 1.407 30.178 28.738 0.056 0.000 1.460 83 Q HN 0.431 8.701 8.270 -0.000 0.000 0.452 84 D N 0.673 121.102 120.400 0.049 0.000 2.378 84 D HA 0.175 4.814 4.640 -0.002 0.000 0.238 84 D C -0.147 176.197 176.300 0.074 0.000 1.180 84 D CA 0.423 54.455 54.000 0.052 0.000 0.895 84 D CB 0.576 41.408 40.800 0.052 0.000 1.192 84 D HN 0.270 8.640 8.370 -0.000 0.000 0.438 85 I N 2.351 122.973 120.570 0.086 0.000 2.359 85 I HA 0.071 4.240 4.170 -0.002 0.000 0.284 85 I C 0.363 176.633 176.117 0.255 0.000 1.018 85 I CA -0.931 60.462 61.300 0.154 0.000 1.173 85 I CB 0.757 38.795 38.000 0.063 0.000 1.326 85 I HN -0.129 8.081 8.210 -0.000 0.000 0.462 86 K N 6.366 126.937 120.400 0.285 0.000 2.436 86 K HA 0.078 4.396 4.320 -0.002 0.000 0.275 86 K C 0.193 177.071 176.600 0.463 0.000 0.999 86 K CA -0.141 56.322 56.287 0.293 0.000 0.980 86 K CB 0.588 33.186 32.500 0.162 0.000 0.919 86 K HN 0.588 8.838 8.250 -0.000 0.000 0.484 87 K N 2.100 122.690 120.400 0.317 0.000 2.180 87 K HA 0.254 4.573 4.320 -0.002 0.000 0.251 87 K C -2.299 174.382 176.600 0.135 0.000 1.014 87 K CA -1.398 54.986 56.287 0.162 0.000 0.913 87 K CB -0.334 32.204 32.500 0.063 0.000 1.008 87 K HN 0.149 8.399 8.250 -0.000 0.000 0.490 88 P HA -0.013 4.407 4.420 -0.000 0.000 0.269 88 P C -0.721 176.593 177.300 0.022 0.000 1.209 88 P CA -0.139 62.967 63.100 0.009 0.000 0.776 88 P CB 0.437 32.140 31.700 0.006 0.000 0.876 89 D N 0.412 120.847 120.400 0.057 0.000 2.338 89 D HA -0.006 4.633 4.640 -0.002 0.000 0.239 89 D C 0.387 176.567 176.300 -0.199 0.000 1.095 89 D CA 0.375 54.356 54.000 -0.032 0.000 0.888 89 D CB -0.027 40.779 40.800 0.011 0.000 0.899 89 D HN 0.081 8.451 8.370 -0.000 0.000 0.525 90 R N -0.701 119.590 120.500 -0.347 0.000 2.668 90 R HA 0.326 4.665 4.340 -0.002 0.000 0.272 90 R C -0.664 175.247 176.300 -0.647 0.000 1.019 90 R CA -0.581 55.103 56.100 -0.694 0.000 0.894 90 R CB 1.612 31.043 30.300 -1.449 0.000 1.228 90 R HN -0.221 8.049 8.270 -0.000 0.000 0.460 91 D N -0.001 120.057 120.400 -0.570 0.000 2.615 91 D HA 0.008 4.646 4.640 -0.002 0.000 0.259 91 D C -0.576 175.461 176.300 -0.440 0.000 0.999 91 D CA 0.699 54.492 54.000 -0.346 0.000 0.938 91 D CB 0.421 41.108 40.800 -0.187 0.000 1.121 91 D HN 0.491 8.861 8.370 -0.000 0.000 0.487 92 D N -0.759 119.313 120.400 -0.547 0.000 2.233 92 D HA 0.095 4.734 4.640 -0.002 0.000 0.240 92 D C -0.247 175.474 176.300 -0.965 0.000 1.074 92 D CA -0.494 53.191 54.000 -0.524 0.000 0.838 92 D CB 0.653 41.333 40.800 -0.200 0.000 1.124 92 D HN -0.058 8.312 8.370 -0.000 0.000 0.475 93 W N 2.877 123.395 121.300 -1.303 0.000 3.278 93 W HA 0.233 4.892 4.660 -0.002 0.000 0.308 93 W C 1.218 177.359 176.519 -0.630 0.000 1.253 93 W CA -0.206 56.553 57.345 -0.977 0.000 1.759 93 W CB 0.026 28.867 29.460 -1.031 0.000 1.093 93 W HN 0.640 8.820 8.180 -0.000 0.000 0.648 94 E N -0.864 119.133 120.200 -0.338 0.000 4.609 94 E HA -0.318 4.031 4.350 -0.002 0.000 0.178 94 E C 0.649 177.338 176.600 0.149 0.000 1.274 94 E CA 1.895 58.297 56.400 0.003 0.000 2.344 94 E CB -1.580 28.110 29.700 -0.018 0.000 1.833 94 E HN 0.223 8.583 8.360 -0.000 0.000 0.404 95 S N -1.828 113.964 115.700 0.153 0.000 2.643 95 S HA 0.597 5.066 4.470 -0.002 0.000 0.270 95 S C 0.855 175.679 174.600 0.372 0.000 1.166 95 S CA -0.381 57.958 58.200 0.232 0.000 0.815 95 S CB 1.361 64.648 63.200 0.145 0.000 1.139 95 S HN 0.404 8.714 8.310 -0.000 0.000 0.472 96 G N 0.273 109.258 108.800 0.309 0.000 2.418 96 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.217 96 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.217 96 G C 1.186 176.276 174.900 0.316 0.000 1.158 96 G CA 1.043 46.213 45.100 0.117 0.000 0.771 96 G HN 0.713 9.003 8.290 -0.000 0.000 0.545 97 L N 1.191 122.529 121.223 0.191 0.000 2.017 97 L HA -0.039 4.300 4.340 -0.002 0.000 0.208 97 L C 2.230 179.213 176.870 0.189 0.000 1.073 97 L CA 2.338 57.271 54.840 0.155 0.000 0.745 97 L CB -0.928 41.178 42.059 0.079 0.000 0.894 97 L HN 0.346 8.576 8.230 -0.000 0.000 0.432 98 N N -0.555 118.256 118.700 0.186 0.000 2.058 98 N HA -0.229 4.510 4.740 -0.002 0.000 0.191 98 N C 1.819 177.473 175.510 0.240 0.000 1.037 98 N CA 1.480 54.635 53.050 0.176 0.000 0.848 98 N CB -0.033 38.536 38.487 0.137 0.000 1.021 98 N HN 0.500 8.880 8.380 -0.000 0.000 0.422 99 A N 1.575 124.578 122.820 0.306 0.000 1.917 99 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 99 A C 2.261 180.035 177.584 0.316 0.000 1.182 99 A CA 1.384 53.578 52.037 0.261 0.000 0.633 99 A CB -0.496 18.727 19.000 0.373 0.000 0.819 99 A HN 0.341 8.491 8.150 -0.000 0.000 0.448 100 M N -0.444 119.432 119.600 0.460 0.000 2.159 100 M HA -0.147 4.332 4.480 -0.002 0.000 0.263 100 M C 1.935 178.419 176.300 0.307 0.000 1.063 100 M CA 1.617 57.195 55.300 0.463 0.000 1.110 100 M CB -1.369 31.455 32.600 0.373 0.000 1.374 100 M HN 0.567 8.857 8.290 -0.000 0.000 0.411 101 E N 0.073 120.411 120.200 0.231 0.000 2.072 101 E HA -0.098 4.251 4.350 -0.002 0.000 0.191 101 E C 2.113 178.817 176.600 0.174 0.000 0.985 101 E CA 1.165 57.669 56.400 0.173 0.000 0.801 101 E CB -0.156 29.625 29.700 0.136 0.000 0.750 101 E HN 0.490 8.850 8.360 -0.000 0.000 0.452 102 A N 1.826 124.760 122.820 0.190 0.000 1.883 102 A HA -0.198 4.120 4.320 -0.002 0.000 0.217 102 A C 2.444 180.115 177.584 0.145 0.000 1.186 102 A CA 1.934 54.081 52.037 0.182 0.000 0.624 102 A CB -0.863 18.294 19.000 0.261 0.000 0.822 102 A HN 0.300 8.450 8.150 -0.000 0.000 0.444 103 A N -0.423 122.502 122.820 0.175 0.000 1.865 103 A HA -0.112 4.206 4.320 -0.002 0.000 0.217 103 A C 2.141 179.869 177.584 0.240 0.000 1.191 103 A CA 1.951 54.146 52.037 0.264 0.000 0.623 103 A CB -0.839 18.500 19.000 0.565 0.000 0.826 103 A HN 0.815 8.965 8.150 -0.000 0.000 0.444 104 L N -0.263 121.097 121.223 0.228 0.000 1.997 104 L HA -0.267 4.072 4.340 -0.002 0.000 0.216 104 L C 2.511 179.464 176.870 0.137 0.000 1.074 104 L CA 3.004 57.947 54.840 0.173 0.000 0.763 104 L CB -1.082 41.063 42.059 0.143 0.000 0.890 104 L HN 0.564 8.794 8.230 -0.000 0.000 0.434 105 Q N -0.682 119.194 119.800 0.126 0.000 2.030 105 Q HA -0.234 4.105 4.340 -0.002 0.000 0.204 105 Q C 2.190 178.253 176.000 0.106 0.000 0.986 105 Q CA 2.426 58.292 55.803 0.105 0.000 0.843 105 Q CB -0.880 27.920 28.738 0.102 0.000 0.904 105 Q HN 0.517 8.787 8.270 -0.000 0.000 0.420 106 L N 0.810 122.097 121.223 0.107 0.000 1.997 106 L HA -0.234 4.105 4.340 -0.002 0.000 0.216 106 L C 2.085 179.020 176.870 0.109 0.000 1.074 106 L CA 2.289 57.184 54.840 0.091 0.000 0.763 106 L CB -0.811 41.250 42.059 0.004 0.000 0.890 106 L HN 0.279 8.509 8.230 -0.000 0.000 0.434 107 E N 0.087 120.370 120.200 0.138 0.000 2.085 107 E HA -0.252 4.096 4.350 -0.002 0.000 0.194 107 E C 2.199 178.874 176.600 0.126 0.000 0.994 107 E CA 1.545 58.041 56.400 0.160 0.000 0.801 107 E CB -0.238 29.578 29.700 0.192 0.000 0.743 107 E HN 0.610 8.970 8.360 -0.000 0.000 0.453 108 K N 0.394 120.858 120.400 0.107 0.000 2.209 108 K HA -0.078 4.241 4.320 -0.002 0.000 0.204 108 K C 1.884 178.531 176.600 0.078 0.000 1.048 108 K CA 1.047 57.385 56.287 0.084 0.000 0.940 108 K CB -0.145 32.399 32.500 0.074 0.000 0.729 108 K HN 0.176 8.426 8.250 -0.000 0.000 0.451 109 N N 0.126 118.877 118.700 0.085 0.000 2.171 109 N HA -0.105 4.633 4.740 -0.002 0.000 0.184 109 N C 1.694 177.253 175.510 0.081 0.000 1.021 109 N CA 0.704 53.800 53.050 0.076 0.000 0.854 109 N CB 0.121 38.657 38.487 0.082 0.000 0.994 109 N HN -0.108 8.272 8.380 -0.000 0.000 0.426 110 V N 1.621 121.598 119.914 0.105 0.000 2.490 110 V HA -0.196 3.923 4.120 -0.002 0.000 0.250 110 V C 1.977 178.131 176.094 0.100 0.000 1.061 110 V CA 1.505 63.874 62.300 0.115 0.000 1.064 110 V CB -0.655 31.262 31.823 0.156 0.000 0.670 110 V HN 0.384 8.574 8.190 -0.000 0.000 0.461 111 N N 0.373 119.130 118.700 0.096 0.000 2.171 111 N HA -0.210 4.528 4.740 -0.002 0.000 0.184 111 N C 1.854 177.398 175.510 0.057 0.000 1.021 111 N CA 1.598 54.696 53.050 0.079 0.000 0.854 111 N CB -0.214 38.317 38.487 0.073 0.000 0.994 111 N HN 0.445 8.825 8.380 -0.000 0.000 0.426 112 Q N 0.221 120.053 119.800 0.054 0.000 2.084 112 Q HA -0.064 4.274 4.340 -0.002 0.000 0.202 112 Q C 2.078 178.101 176.000 0.040 0.000 0.978 112 Q CA 1.985 57.813 55.803 0.042 0.000 0.844 112 Q CB -0.993 27.770 28.738 0.041 0.000 0.898 112 Q HN 0.344 8.614 8.270 -0.000 0.000 0.426 113 S N -0.934 114.793 115.700 0.045 0.000 2.368 113 S HA -0.073 4.395 4.470 -0.002 0.000 0.225 113 S C 1.821 176.440 174.600 0.032 0.000 1.030 113 S CA 1.241 59.463 58.200 0.037 0.000 0.999 113 S CB -0.315 62.911 63.200 0.043 0.000 0.844 113 S HN 0.509 8.819 8.310 -0.000 0.000 0.459 114 L N 0.852 122.097 121.223 0.037 0.000 2.141 114 L HA -0.032 4.307 4.340 -0.002 0.000 0.209 114 L C 2.387 179.289 176.870 0.054 0.000 1.094 114 L CA 0.851 55.708 54.840 0.028 0.000 0.763 114 L CB -0.441 41.639 42.059 0.035 0.000 0.908 114 L HN 0.345 8.575 8.230 -0.000 0.000 0.437 115 L N -0.582 120.669 121.223 0.047 0.000 2.093 115 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 115 L C 2.443 179.355 176.870 0.071 0.000 1.085 115 L CA 1.219 56.087 54.840 0.047 0.000 0.755 115 L CB -0.347 41.724 42.059 0.022 0.000 0.904 115 L HN 0.268 8.498 8.230 -0.000 0.000 0.435 116 E N -0.130 120.100 120.200 0.051 0.000 2.106 116 E HA -0.247 4.102 4.350 -0.002 0.000 0.192 116 E C 2.045 178.674 176.600 0.047 0.000 0.984 116 E CA 0.912 57.337 56.400 0.043 0.000 0.806 116 E CB -0.058 29.658 29.700 0.026 0.000 0.750 116 E HN 0.221 8.581 8.360 -0.000 0.000 0.458 117 L N 0.921 122.171 121.223 0.045 0.000 2.012 117 L HA -0.223 4.115 4.340 -0.002 0.000 0.210 117 L C 2.306 179.205 176.870 0.048 0.000 1.073 117 L CA 1.949 56.807 54.840 0.031 0.000 0.748 117 L CB -0.592 41.475 42.059 0.014 0.000 0.891 117 L HN 0.269 8.499 8.230 -0.000 0.000 0.431 118 H N 0.037 119.105 119.070 -0.003 0.000 2.387 118 H HA -0.202 4.352 4.556 -0.002 0.000 0.299 118 H C 2.230 177.561 175.328 0.006 0.000 1.090 118 H CA 2.022 58.072 56.048 0.004 0.000 1.332 118 H CB 0.202 29.968 29.762 0.006 0.000 1.386 118 H HN 0.418 8.698 8.280 -0.000 0.000 0.516 119 K N 0.344 120.834 120.400 0.151 0.000 1.991 119 K HA -0.166 4.153 4.320 -0.002 0.000 0.212 119 K C 2.420 179.028 176.600 0.013 0.000 1.049 119 K CA 1.488 57.830 56.287 0.092 0.000 0.932 119 K CB -0.362 32.180 32.500 0.069 0.000 0.717 119 K HN 0.213 8.463 8.250 -0.000 0.000 0.441 120 L N 1.345 122.568 121.223 0.001 0.000 2.051 120 L HA -0.222 4.117 4.340 -0.002 0.000 0.214 120 L C 2.247 179.088 176.870 -0.048 0.000 1.076 120 L CA 2.369 57.195 54.840 -0.023 0.000 0.758 120 L CB -0.846 41.197 42.059 -0.026 0.000 0.890 120 L HN 0.305 8.535 8.230 -0.000 0.000 0.433 121 A N -1.911 120.862 122.820 -0.079 0.000 1.933 121 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 121 A C 2.238 179.757 177.584 -0.107 0.000 1.175 121 A CA 2.282 54.255 52.037 -0.108 0.000 0.628 121 A CB -1.117 17.774 19.000 -0.182 0.000 0.814 121 A HN 0.566 8.716 8.150 -0.000 0.000 0.444 122 T N 0.011 114.495 114.554 -0.116 0.000 2.812 122 T HA -0.082 4.267 4.350 -0.002 0.000 0.264 122 T C 1.370 176.054 174.700 -0.026 0.000 1.042 122 T CA 1.225 63.286 62.100 -0.065 0.000 1.140 122 T CB -0.332 68.525 68.868 -0.018 0.000 0.870 122 T HN 0.449 8.689 8.240 -0.000 0.000 0.445 123 D N 1.064 121.453 120.400 -0.019 0.000 2.310 123 D HA -0.033 4.606 4.640 -0.002 0.000 0.212 123 D C 1.680 177.970 176.300 -0.017 0.000 0.965 123 D CA 0.805 54.798 54.000 -0.011 0.000 0.879 123 D CB 0.047 40.842 40.800 -0.008 0.000 0.921 123 D HN 0.229 8.599 8.370 -0.000 0.000 0.510 124 K N 0.658 121.042 120.400 -0.026 0.000 2.372 124 K HA 0.063 4.382 4.320 -0.002 0.000 0.200 124 K C -0.015 176.576 176.600 -0.015 0.000 1.022 124 K CA -0.277 55.995 56.287 -0.025 0.000 1.125 124 K CB 0.227 32.703 32.500 -0.039 0.000 0.855 124 K HN 0.033 8.283 8.250 -0.000 0.000 0.524 125 N N 2.958 121.650 118.700 -0.014 0.000 2.642 125 N HA -0.201 4.538 4.740 -0.002 0.000 0.269 125 N C -0.877 174.637 175.510 0.007 0.000 1.073 125 N CA 0.795 53.843 53.050 -0.004 0.000 0.748 125 N CB -0.604 37.885 38.487 0.003 0.000 0.894 125 N HN 0.263 8.643 8.380 -0.000 0.000 0.548 126 D N 0.392 120.792 120.400 -0.000 0.000 2.400 126 D HA 0.210 4.849 4.640 -0.002 0.000 0.272 126 D C -1.305 175.007 176.300 0.021 0.000 1.220 126 D CA -1.708 52.311 54.000 0.032 0.000 0.897 126 D CB 1.025 41.854 40.800 0.048 0.000 1.134 126 D HN 0.120 8.490 8.370 -0.000 0.000 0.507 127 P HA -0.208 4.212 4.420 -0.000 0.000 0.218 127 P C 1.271 178.611 177.300 0.067 0.000 1.148 127 P CA 1.114 64.236 63.100 0.038 0.000 0.822 127 P CB 0.429 32.158 31.700 0.049 0.000 0.784 128 H N 0.222 119.302 119.070 0.016 0.000 2.326 128 H HA -0.082 4.473 4.556 -0.002 0.000 0.301 128 H C 1.968 177.329 175.328 0.055 0.000 1.081 128 H CA 1.324 57.388 56.048 0.027 0.000 1.334 128 H CB -0.963 28.799 29.762 -0.001 0.000 1.385 128 H HN -0.094 8.186 8.280 -0.000 0.000 0.504 129 L N -0.131 121.044 121.223 -0.080 0.000 2.083 129 L HA -0.154 4.185 4.340 -0.002 0.000 0.209 129 L C 2.385 179.216 176.870 -0.065 0.000 1.083 129 L CA 1.540 56.326 54.840 -0.089 0.000 0.752 129 L CB -0.911 41.171 42.059 0.037 0.000 0.899 129 L HN 0.494 8.724 8.230 -0.000 0.000 0.433 130 C N -0.603 118.631 119.300 -0.110 0.000 2.436 130 C HA -0.161 4.298 4.460 -0.002 0.000 0.277 130 C C 2.515 177.515 174.990 0.018 0.000 1.241 130 C CA 1.080 59.982 59.018 -0.192 0.000 1.721 130 C CB -0.970 26.621 27.740 -0.247 0.000 2.043 130 C HN 0.670 8.900 8.230 -0.000 0.000 0.472 131 D N -0.443 119.959 120.400 0.003 0.000 2.117 131 D HA -0.168 4.470 4.640 -0.002 0.000 0.197 131 D C 1.866 178.129 176.300 -0.061 0.000 0.987 131 D CA 1.059 55.061 54.000 0.005 0.000 0.829 131 D CB -0.297 40.509 40.800 0.010 0.000 0.961 131 D HN 0.430 8.800 8.370 -0.000 0.000 0.460 132 F N 0.838 120.619 119.950 -0.283 0.000 2.091 132 F HA -0.190 4.335 4.527 -0.002 0.000 0.299 132 F C 2.018 177.738 175.800 -0.133 0.000 1.103 132 F CA 1.231 59.021 58.000 -0.350 0.000 1.228 132 F CB -0.222 38.535 39.000 -0.406 0.000 0.984 132 F HN -0.003 8.297 8.300 -0.000 0.000 0.477 133 I N 0.487 121.087 120.570 0.051 0.000 2.163 133 I HA -0.279 3.889 4.170 -0.002 0.000 0.243 133 I C 2.297 178.469 176.117 0.091 0.000 1.085 133 I CA 1.545 62.905 61.300 0.100 0.000 1.347 133 I CB -1.584 36.528 38.000 0.186 0.000 1.044 133 I HN 0.295 8.505 8.210 -0.000 0.000 0.408 134 E N 0.696 120.942 120.200 0.076 0.000 2.012 134 E HA -0.222 4.127 4.350 -0.002 0.000 0.197 134 E C 2.090 178.683 176.600 -0.012 0.000 1.007 134 E CA 2.547 58.967 56.400 0.033 0.000 0.816 134 E CB -0.206 29.521 29.700 0.045 0.000 0.762 134 E HN 0.580 8.940 8.360 -0.000 0.000 0.451 135 T N -1.678 112.838 114.554 -0.063 0.000 2.951 135 T HA -0.104 4.245 4.350 -0.002 0.000 0.268 135 T C 1.384 176.122 174.700 0.064 0.000 1.073 135 T CA 1.239 63.326 62.100 -0.022 0.000 1.134 135 T CB -0.305 68.550 68.868 -0.021 0.000 0.884 135 T HN 0.325 8.565 8.240 -0.000 0.000 0.479 136 H N -1.466 117.429 119.070 -0.291 0.000 2.740 136 H HA 0.286 4.841 4.556 -0.002 0.000 0.265 136 H C 0.740 175.612 175.328 -0.759 0.000 0.978 136 H CA 0.115 55.851 56.048 -0.521 0.000 1.198 136 H CB 0.586 29.879 29.762 -0.782 0.000 1.467 136 H HN 0.350 8.630 8.280 -0.000 0.000 0.511 137 Y N -0.633 119.576 120.300 -0.152 0.000 3.208 137 Y HA 0.086 4.635 4.550 -0.002 0.000 0.205 137 Y C 2.050 177.895 175.900 -0.092 0.000 0.923 137 Y CA -0.360 57.639 58.100 -0.168 0.000 1.596 137 Y CB -0.212 38.165 38.460 -0.138 0.000 1.478 137 Y HN -0.137 8.143 8.280 -0.000 0.000 0.409 138 L N 0.941 122.239 121.223 0.125 0.000 2.123 138 L HA -0.333 4.005 4.340 -0.002 0.000 0.217 138 L C 1.938 178.817 176.870 0.016 0.000 1.081 138 L CA 2.207 57.077 54.840 0.049 0.000 0.772 138 L CB -0.491 41.572 42.059 0.006 0.000 0.890 138 L HN 0.365 8.595 8.230 -0.000 0.000 0.437 139 N N -0.670 118.030 118.700 -0.001 0.000 2.250 139 N HA -0.104 4.635 4.740 -0.002 0.000 0.181 139 N C 1.849 177.351 175.510 -0.012 0.000 1.017 139 N CA 1.263 54.306 53.050 -0.011 0.000 0.866 139 N CB -0.166 38.311 38.487 -0.017 0.000 0.985 139 N HN 0.258 8.638 8.380 -0.000 0.000 0.429 140 C N 0.627 119.908 119.300 -0.031 0.000 2.462 140 C HA -0.004 4.454 4.460 -0.002 0.000 0.278 140 C C 2.587 177.596 174.990 0.033 0.000 1.253 140 C CA 0.364 59.374 59.018 -0.013 0.000 1.713 140 C CB -0.922 26.784 27.740 -0.057 0.000 2.049 140 C HN 0.498 8.728 8.230 -0.000 0.000 0.477 141 Q N 0.494 120.322 119.800 0.047 0.000 2.133 141 Q HA -0.174 4.164 4.340 -0.002 0.000 0.208 141 Q C 2.395 178.430 176.000 0.059 0.000 0.991 141 Q CA 1.483 57.334 55.803 0.080 0.000 0.867 141 Q CB -0.963 27.829 28.738 0.091 0.000 0.911 141 Q HN 0.605 8.875 8.270 -0.000 0.000 0.417 142 V N 0.238 120.173 119.914 0.035 0.000 2.261 142 V HA -0.315 3.803 4.120 -0.002 0.000 0.246 142 V C 2.576 178.681 176.094 0.018 0.000 1.047 142 V CA 1.787 64.101 62.300 0.023 0.000 1.015 142 V CB -0.718 31.111 31.823 0.009 0.000 0.642 142 V HN 0.396 8.586 8.190 -0.000 0.000 0.446 143 C N -0.093 119.215 119.300 0.013 0.000 2.413 143 C HA -0.151 4.308 4.460 -0.002 0.000 0.276 143 C C 3.068 178.063 174.990 0.008 0.000 1.236 143 C CA 0.818 59.838 59.018 0.004 0.000 1.735 143 C CB -1.411 26.329 27.740 0.000 0.000 2.031 143 C HN 0.664 8.894 8.230 -0.000 0.000 0.474 144 A N 0.683 123.523 122.820 0.034 0.000 1.859 144 A HA -0.208 4.110 4.320 -0.002 0.000 0.217 144 A C 1.997 179.609 177.584 0.046 0.000 1.198 144 A CA 2.122 54.191 52.037 0.054 0.000 0.629 144 A CB -0.757 18.305 19.000 0.104 0.000 0.830 144 A HN 0.597 8.747 8.150 -0.000 0.000 0.446 145 I N -0.607 119.996 120.570 0.056 0.000 2.151 145 I HA -0.304 3.865 4.170 -0.002 0.000 0.243 145 I C 2.552 178.676 176.117 0.011 0.000 1.080 145 I CA 2.037 63.368 61.300 0.052 0.000 1.339 145 I CB -0.283 37.749 38.000 0.054 0.000 1.039 145 I HN 0.339 8.549 8.210 -0.000 0.000 0.409 146 K N 0.851 121.248 120.400 -0.006 0.000 2.097 146 K HA -0.163 4.156 4.320 -0.002 0.000 0.206 146 K C 2.057 178.607 176.600 -0.084 0.000 1.049 146 K CA 1.784 58.053 56.287 -0.030 0.000 0.933 146 K CB -0.539 31.947 32.500 -0.023 0.000 0.717 146 K HN 0.338 8.588 8.250 -0.000 0.000 0.442 147 C N 0.024 119.252 119.300 -0.120 0.000 2.489 147 C HA 0.054 4.513 4.460 -0.002 0.000 0.279 147 C C 2.494 177.184 174.990 -0.501 0.000 1.266 147 C CA 0.487 59.330 59.018 -0.293 0.000 1.707 147 C CB -0.937 26.676 27.740 -0.212 0.000 2.059 147 C HN 0.488 8.718 8.230 -0.000 0.000 0.481 148 L N 0.969 122.061 121.223 -0.218 0.000 2.079 148 L HA -0.081 4.258 4.340 -0.002 0.000 0.210 148 L C 2.759 179.607 176.870 -0.037 0.000 1.081 148 L CA 1.684 56.481 54.840 -0.071 0.000 0.752 148 L CB -1.077 41.051 42.059 0.116 0.000 0.896 148 L HN 0.547 8.777 8.230 -0.000 0.000 0.433 149 G N -0.279 108.497 108.800 -0.041 0.000 2.421 149 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.216 149 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.216 149 G C 1.108 175.999 174.900 -0.015 0.000 1.171 149 G CA 0.938 46.034 45.100 -0.007 0.000 0.775 149 G HN 0.304 8.594 8.290 -0.000 0.000 0.543 150 D N 0.181 120.543 120.400 -0.063 0.000 2.123 150 D HA -0.084 4.555 4.640 -0.002 0.000 0.196 150 D C 2.234 178.595 176.300 0.102 0.000 0.992 150 D CA 0.949 54.945 54.000 -0.008 0.000 0.833 150 D CB -0.397 40.383 40.800 -0.034 0.000 0.954 150 D HN 0.304 8.674 8.370 -0.000 0.000 0.455 151 H N 0.151 119.241 119.070 0.033 0.000 2.321 151 H HA -0.027 4.528 4.556 -0.002 0.000 0.300 151 H C 2.447 177.673 175.328 -0.169 0.000 1.087 151 H CA 0.516 56.564 56.048 0.000 0.000 1.319 151 H CB -0.750 29.044 29.762 0.055 0.000 1.379 151 H HN 0.012 8.292 8.280 -0.000 0.000 0.501 152 V N 0.601 120.554 119.914 0.065 0.000 2.255 152 V HA -0.291 3.828 4.120 -0.002 0.000 0.247 152 V C 2.465 178.540 176.094 -0.031 0.000 1.051 152 V CA 2.406 64.714 62.300 0.012 0.000 1.018 152 V CB -0.978 30.877 31.823 0.052 0.000 0.641 152 V HN 0.467 8.657 8.190 -0.000 0.000 0.445 153 T N 0.016 114.567 114.554 -0.004 0.000 2.653 153 T HA -0.285 4.064 4.350 -0.002 0.000 0.268 153 T C 1.716 176.399 174.700 -0.029 0.000 1.035 153 T CA 2.339 64.435 62.100 -0.006 0.000 1.154 153 T CB -0.588 68.286 68.868 0.011 0.000 0.862 153 T HN 0.599 8.839 8.240 -0.000 0.000 0.441 154 N N 0.365 119.041 118.700 -0.040 0.000 2.084 154 N HA 0.004 4.743 4.740 -0.002 0.000 0.190 154 N C 1.880 177.298 175.510 -0.154 0.000 1.030 154 N CA 0.858 53.876 53.050 -0.054 0.000 0.849 154 N CB -0.250 38.264 38.487 0.045 0.000 1.012 154 N HN 0.257 8.637 8.380 -0.000 0.000 0.423 155 L N 0.880 121.903 121.223 -0.334 0.000 2.046 155 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 155 L C 2.546 179.350 176.870 -0.111 0.000 1.077 155 L CA 1.058 55.719 54.840 -0.299 0.000 0.747 155 L CB -0.292 41.553 42.059 -0.356 0.000 0.896 155 L HN 0.183 8.413 8.230 -0.000 0.000 0.432 156 R N 0.364 120.819 120.500 -0.075 0.000 2.070 156 R HA -0.143 4.196 4.340 -0.002 0.000 0.233 156 R C 2.182 178.472 176.300 -0.016 0.000 1.137 156 R CA 1.249 57.333 56.100 -0.027 0.000 0.945 156 R CB -0.351 29.942 30.300 -0.012 0.000 0.845 156 R HN 0.374 8.644 8.270 -0.000 0.000 0.430 157 K N 0.149 120.538 120.400 -0.017 0.000 2.442 157 K HA -0.016 4.303 4.320 -0.002 0.000 0.198 157 K C 1.871 178.472 176.600 0.002 0.000 1.042 157 K CA 0.865 57.149 56.287 -0.004 0.000 0.958 157 K CB 0.043 32.543 32.500 0.000 0.000 0.766 157 K HN 0.194 8.444 8.250 -0.000 0.000 0.474 158 M N -0.918 118.679 119.600 -0.004 0.000 2.541 158 M HA 0.059 4.538 4.480 -0.002 0.000 0.252 158 M C 0.748 177.061 176.300 0.023 0.000 1.125 158 M CA 0.600 55.910 55.300 0.016 0.000 1.091 158 M CB 0.862 33.478 32.600 0.026 0.000 1.420 158 M HN 0.362 8.652 8.290 -0.000 0.000 0.486 159 G N 0.682 109.490 108.800 0.013 0.000 2.143 159 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.175 159 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.175 159 G C -0.014 174.900 174.900 0.023 0.000 1.004 159 G CA -0.164 44.948 45.100 0.020 0.000 0.671 159 G HN 0.606 8.896 8.290 -0.000 0.000 0.512 160 A N 0.490 123.319 122.820 0.015 0.000 2.304 160 A HA 0.839 5.158 4.320 -0.002 0.000 0.271 160 A C -0.370 177.229 177.584 0.024 0.000 1.091 160 A CA -0.721 51.329 52.037 0.023 0.000 0.812 160 A CB 0.958 19.965 19.000 0.011 0.000 1.056 160 A HN 0.122 8.272 8.150 -0.000 0.000 0.489 161 P HA 0.013 4.433 4.420 -0.000 0.000 0.257 161 P C 0.746 178.071 177.300 0.042 0.000 1.241 161 P CA 0.401 63.528 63.100 0.044 0.000 0.816 161 P CB 0.369 32.101 31.700 0.053 0.000 1.150 162 E N 0.498 120.718 120.200 0.033 0.000 2.160 162 E HA -0.109 4.239 4.350 -0.002 0.000 0.195 162 E C 0.714 177.333 176.600 0.032 0.000 0.991 162 E CA 0.803 57.221 56.400 0.029 0.000 0.810 162 E CB -0.900 28.813 29.700 0.023 0.000 0.742 162 E HN 0.088 8.448 8.360 -0.000 0.000 0.466 163 S N 0.508 116.230 115.700 0.037 0.000 2.416 163 S HA 0.388 4.856 4.470 -0.002 0.000 0.287 163 S C 0.980 175.616 174.600 0.060 0.000 1.139 163 S CA -0.034 58.191 58.200 0.043 0.000 1.058 163 S CB 0.960 64.187 63.200 0.044 0.000 0.967 163 S HN 0.301 8.611 8.310 -0.000 0.000 0.495 164 G N 4.519 113.352 108.800 0.056 0.000 2.422 164 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.218 164 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.218 164 G C 1.199 176.167 174.900 0.114 0.000 1.140 164 G CA 0.540 45.685 45.100 0.075 0.000 0.775 164 G HN 0.670 8.960 8.290 -0.000 0.000 0.545 165 L N 1.382 122.657 121.223 0.087 0.000 2.079 165 L HA 0.065 4.403 4.340 -0.002 0.000 0.210 165 L C 3.035 180.024 176.870 0.199 0.000 1.081 165 L CA 2.027 56.937 54.840 0.117 0.000 0.752 165 L CB -0.625 41.474 42.059 0.066 0.000 0.896 165 L HN 0.237 8.467 8.230 -0.000 0.000 0.433 166 A N -0.617 122.293 122.820 0.151 0.000 1.845 166 A HA -0.237 4.081 4.320 -0.002 0.000 0.215 166 A C 2.129 179.848 177.584 0.225 0.000 1.195 166 A CA 1.893 54.025 52.037 0.159 0.000 0.616 166 A CB -0.735 18.322 19.000 0.094 0.000 0.832 166 A HN 0.597 8.747 8.150 -0.000 0.000 0.443 167 E N -1.585 118.741 120.200 0.209 0.000 2.085 167 E HA -0.250 4.099 4.350 -0.002 0.000 0.194 167 E C 1.923 178.729 176.600 0.342 0.000 0.994 167 E CA 1.594 58.159 56.400 0.275 0.000 0.801 167 E CB -0.416 29.372 29.700 0.147 0.000 0.743 167 E HN 0.800 9.160 8.360 -0.000 0.000 0.453 168 Y N 1.630 122.028 120.300 0.163 0.000 2.128 168 Y HA -0.216 4.333 4.550 -0.002 0.000 0.284 168 Y C 2.055 178.031 175.900 0.126 0.000 1.154 168 Y CA 1.495 59.672 58.100 0.129 0.000 1.149 168 Y CB -0.200 38.308 38.460 0.080 0.000 0.976 168 Y HN -0.072 8.208 8.280 -0.000 0.000 0.505 169 L N -1.257 120.133 121.223 0.279 0.000 2.156 169 L HA -0.158 4.180 4.340 -0.002 0.000 0.208 169 L C 2.224 179.192 176.870 0.164 0.000 1.095 169 L CA 1.040 56.009 54.840 0.215 0.000 0.770 169 L CB -0.576 41.681 42.059 0.330 0.000 0.914 169 L HN 0.294 8.524 8.230 -0.000 0.000 0.439 170 F N 1.240 121.214 119.950 0.040 0.000 2.206 170 F HA -0.224 4.302 4.527 -0.002 0.000 0.298 170 F C 2.141 177.830 175.800 -0.185 0.000 1.090 170 F CA 1.810 59.785 58.000 -0.042 0.000 1.323 170 F CB -0.176 38.824 39.000 0.000 0.000 1.028 170 F HN 0.133 8.433 8.300 -0.000 0.000 0.492 171 D N -0.184 120.175 120.400 -0.068 0.000 2.123 171 D HA -0.195 4.443 4.640 -0.002 0.000 0.196 171 D C 2.046 178.087 176.300 -0.432 0.000 0.992 171 D CA 1.457 55.295 54.000 -0.270 0.000 0.833 171 D CB 0.069 40.863 40.800 -0.010 0.000 0.954 171 D HN 0.066 8.436 8.370 -0.000 0.000 0.455 172 K N -0.562 119.575 120.400 -0.440 0.000 2.076 172 K HA -0.037 4.282 4.320 -0.002 0.000 0.204 172 K C 2.037 178.329 176.600 -0.512 0.000 1.051 172 K CA 0.903 56.885 56.287 -0.509 0.000 0.949 172 K CB -0.372 31.750 32.500 -0.630 0.000 0.726 172 K HN 0.455 8.705 8.250 -0.000 0.000 0.443 173 H N -0.307 118.584 119.070 -0.298 0.000 2.544 173 H HA 0.122 4.677 4.556 -0.002 0.000 0.269 173 H C 1.188 176.291 175.328 -0.376 0.000 0.970 173 H CA 0.892 56.781 56.048 -0.265 0.000 1.219 173 H CB 0.789 30.456 29.762 -0.160 0.000 1.421 173 H HN 0.103 8.383 8.280 -0.000 0.000 0.555 174 T N -0.121 114.107 114.554 -0.542 0.000 3.114 174 T HA 0.172 4.521 4.350 -0.002 0.000 0.240 174 T C 1.991 176.222 174.700 -0.782 0.000 0.983 174 T CA -0.173 61.477 62.100 -0.750 0.000 1.151 174 T CB 0.321 68.358 68.868 -1.385 0.000 0.974 174 T HN 0.067 8.307 8.240 -0.000 0.000 0.442 175 L N 1.202 121.849 121.223 -0.960 0.000 2.599 175 L HA 0.327 4.666 4.340 -0.002 0.000 0.230 175 L C 1.393 177.960 176.870 -0.504 0.000 1.141 175 L CA -0.238 54.122 54.840 -0.800 0.000 0.877 175 L CB -0.289 41.163 42.059 -1.011 0.000 1.009 175 L HN 0.183 8.413 8.230 -0.000 0.000 0.447 176 G N 0.000 108.536 108.800 -0.439 0.000 5.446 176 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 176 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 176 G CA 0.000 44.910 45.100 -0.317 0.000 0.502 176 G HN 0.000 8.290 8.290 -0.000 0.000 0.925