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 1eon_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLRSDLINAL YDENQKYDVC GIISAEGKIY PLGSDTKVLS TIFELFSRPI DATA SEQUENCE INKIAEKHGY IVEEPKQQNH YPDFTLYKPS EPNKKIAIDI KTTYTNKENE DATA SEQUENCE KIKFTLGGYT SFIRNNTKNI VYPFDQYIAH WIIGYVYTRV XXXKSSLKTY DATA SEQUENCE NIXXXXXIPK PYKGVKVFLQ DKWVIAGDLA GSGNTTNIGS IHAHYKDFVE DATA SEQUENCE GKGIFDSEDE FLDYWRNYER TSQLRNDKYN NISEYRNWIY RGRK 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.591 174.600 -0.015 0.000 1.055 2 S CA 0.000 58.274 58.200 0.124 0.000 1.107 2 S CB 0.000 63.233 63.200 0.055 0.000 0.593 3 L N 1.485 122.548 121.223 -0.266 0.000 2.013 3 L HA 0.065 4.413 4.340 0.014 0.000 0.212 3 L C 2.601 179.315 176.870 -0.260 0.000 1.073 3 L CA 2.481 56.896 54.840 -0.708 0.000 0.753 3 L CB -0.825 40.933 42.059 -0.502 0.000 0.890 3 L HN 0.894 9.124 8.230 -0.000 0.000 0.432 4 R N -0.467 119.960 120.500 -0.122 0.000 2.070 4 R HA -0.177 4.171 4.340 0.014 0.000 0.233 4 R C 2.462 178.607 176.300 -0.258 0.000 1.137 4 R CA 1.947 57.852 56.100 -0.325 0.000 0.945 4 R CB -0.433 29.560 30.300 -0.512 0.000 0.845 4 R HN 0.728 8.998 8.270 -0.000 0.000 0.430 5 S N 0.409 116.013 115.700 -0.161 0.000 2.368 5 S HA -0.147 4.331 4.470 0.014 0.000 0.225 5 S C 1.490 176.042 174.600 -0.079 0.000 1.030 5 S CA 1.500 59.632 58.200 -0.115 0.000 0.999 5 S CB -0.384 62.777 63.200 -0.064 0.000 0.844 5 S HN 0.327 8.637 8.310 -0.000 0.000 0.459 6 D N 1.345 121.718 120.400 -0.045 0.000 2.144 6 D HA 0.010 4.658 4.640 0.014 0.000 0.199 6 D C 1.861 178.145 176.300 -0.028 0.000 0.984 6 D CA 0.746 54.747 54.000 0.002 0.000 0.834 6 D CB -0.511 40.350 40.800 0.102 0.000 0.955 6 D HN 0.346 8.716 8.370 -0.000 0.000 0.465 7 L N 0.430 121.608 121.223 -0.075 0.000 2.027 7 L HA -0.071 4.277 4.340 0.014 0.000 0.206 7 L C 2.034 178.872 176.870 -0.053 0.000 1.074 7 L CA 1.231 56.033 54.840 -0.062 0.000 0.745 7 L CB -0.665 41.359 42.059 -0.059 0.000 0.898 7 L HN -0.045 8.185 8.230 -0.000 0.000 0.433 8 I N 0.059 120.576 120.570 -0.089 0.000 2.226 8 I HA -0.254 3.924 4.170 0.014 0.000 0.245 8 I C 2.116 178.239 176.117 0.010 0.000 1.100 8 I CA 1.319 62.585 61.300 -0.055 0.000 1.374 8 I CB -0.729 37.211 38.000 -0.101 0.000 1.057 8 I HN 0.357 8.567 8.210 -0.000 0.000 0.413 9 N N 1.278 119.967 118.700 -0.019 0.000 2.069 9 N HA -0.160 4.588 4.740 0.014 0.000 0.191 9 N C 1.919 177.473 175.510 0.074 0.000 1.031 9 N CA 1.837 54.890 53.050 0.006 0.000 0.852 9 N CB -0.737 37.739 38.487 -0.018 0.000 1.018 9 N HN 0.521 8.901 8.380 -0.000 0.000 0.423 10 A N 0.982 123.831 122.820 0.048 0.000 1.877 10 A HA -0.063 4.265 4.320 0.014 0.000 0.216 10 A C 2.397 180.030 177.584 0.080 0.000 1.186 10 A CA 1.020 53.090 52.037 0.054 0.000 0.620 10 A CB -0.797 18.215 19.000 0.021 0.000 0.822 10 A HN 0.225 8.375 8.150 -0.000 0.000 0.443 11 L N -2.404 118.864 121.223 0.075 0.000 2.017 11 L HA -0.201 4.147 4.340 0.014 0.000 0.208 11 L C 2.601 179.564 176.870 0.156 0.000 1.073 11 L CA 1.943 56.844 54.840 0.103 0.000 0.745 11 L CB -0.728 41.358 42.059 0.044 0.000 0.894 11 L HN 0.573 8.803 8.230 -0.000 0.000 0.432 12 Y N 0.791 121.105 120.300 0.023 0.000 2.207 12 Y HA -0.345 4.214 4.550 0.014 0.000 0.287 12 Y C 2.330 178.263 175.900 0.055 0.000 1.156 12 Y CA 2.070 60.188 58.100 0.030 0.000 1.182 12 Y CB -0.039 38.430 38.460 0.015 0.000 0.979 12 Y HN 0.267 8.547 8.280 -0.000 0.000 0.521 13 D N -0.365 120.197 120.400 0.270 0.000 2.103 13 D HA -0.192 4.456 4.640 0.014 0.000 0.199 13 D C 2.037 178.423 176.300 0.145 0.000 0.978 13 D CA 1.466 55.579 54.000 0.188 0.000 0.829 13 D CB -0.169 40.718 40.800 0.144 0.000 0.981 13 D HN 0.362 8.732 8.370 -0.000 0.000 0.464 14 E N 0.040 120.350 120.200 0.182 0.000 2.118 14 E HA -0.222 4.136 4.350 0.014 0.000 0.195 14 E C 1.739 178.599 176.600 0.432 0.000 0.992 14 E CA 1.207 57.780 56.400 0.287 0.000 0.804 14 E CB -0.333 29.449 29.700 0.136 0.000 0.741 14 E HN 0.229 8.589 8.360 -0.000 0.000 0.458 15 N N -0.584 118.303 118.700 0.312 0.000 2.069 15 N HA -0.193 4.555 4.740 0.014 0.000 0.191 15 N C 1.828 177.367 175.510 0.049 0.000 1.031 15 N CA 1.706 54.860 53.050 0.172 0.000 0.852 15 N CB -0.311 38.162 38.487 -0.023 0.000 1.018 15 N HN 0.029 8.409 8.380 -0.000 0.000 0.423 16 Q N -1.029 118.763 119.800 -0.013 0.000 2.230 16 Q HA 0.051 4.399 4.340 0.014 0.000 0.202 16 Q C 2.277 178.262 176.000 -0.025 0.000 0.963 16 Q CA 1.820 57.598 55.803 -0.042 0.000 0.866 16 Q CB -0.473 28.236 28.738 -0.048 0.000 0.931 16 Q HN 0.829 9.099 8.270 -0.000 0.000 0.452 17 K N -1.243 119.136 120.400 -0.035 0.000 2.374 17 K HA 0.245 4.573 4.320 0.014 0.000 0.196 17 K C -0.187 176.167 176.600 -0.411 0.000 1.023 17 K CA 0.283 56.422 56.287 -0.246 0.000 1.103 17 K CB 0.454 32.723 32.500 -0.385 0.000 0.848 17 K HN 0.486 8.736 8.250 -0.000 0.000 0.528 18 Y N -0.213 120.192 120.300 0.175 0.000 2.470 18 Y HA 0.441 4.999 4.550 0.014 0.000 0.341 18 Y C -1.181 174.822 175.900 0.172 0.000 1.021 18 Y CA -2.027 56.203 58.100 0.217 0.000 1.025 18 Y CB 2.290 40.962 38.460 0.354 0.000 1.266 18 Y HN 0.030 8.310 8.280 -0.000 0.000 0.448 19 D N 2.351 122.933 120.400 0.303 0.000 2.453 19 D HA 0.316 4.964 4.640 0.014 0.000 0.238 19 D C -0.612 175.801 176.300 0.188 0.000 1.088 19 D CA -0.258 53.873 54.000 0.218 0.000 0.854 19 D CB 2.131 43.031 40.800 0.166 0.000 1.076 19 D HN 0.209 8.579 8.370 -0.000 0.000 0.533 20 V N 1.992 121.995 119.914 0.149 0.000 2.673 20 V HA -0.018 4.110 4.120 0.014 0.000 0.303 20 V C 1.507 177.649 176.094 0.080 0.000 1.046 20 V CA 0.291 62.655 62.300 0.107 0.000 1.126 20 V CB 0.846 32.685 31.823 0.026 0.000 0.934 20 V HN 0.903 9.093 8.190 -0.000 0.000 0.487 21 C N 1.918 121.227 119.300 0.015 0.000 4.154 21 C HA 0.738 5.206 4.460 0.014 0.000 0.359 21 C C 0.596 175.538 174.990 -0.079 0.000 1.702 21 C CA 0.108 59.089 59.018 -0.063 0.000 1.900 21 C CB -0.573 27.107 27.740 -0.100 0.000 3.051 21 C HN 1.121 9.351 8.230 -0.000 0.000 0.670 22 G N 0.752 109.531 108.800 -0.034 0.000 2.506 22 G HA2 0.573 4.541 3.960 0.014 0.000 0.292 22 G HA3 0.573 4.541 3.960 0.014 0.000 0.292 22 G C -1.753 173.164 174.900 0.029 0.000 1.425 22 G CA -0.717 44.374 45.100 -0.014 0.000 0.788 22 G HN 0.336 8.626 8.290 -0.000 0.000 0.490 23 I N 0.751 121.369 120.570 0.080 0.000 2.353 23 I HA 0.531 4.709 4.170 0.014 0.000 0.293 23 I C -0.085 176.131 176.117 0.165 0.000 0.992 23 I CA -0.671 60.690 61.300 0.102 0.000 1.268 23 I CB 1.769 39.833 38.000 0.107 0.000 1.387 23 I HN 0.389 8.599 8.210 -0.000 0.000 0.478 24 I N 4.951 125.591 120.570 0.116 0.000 2.530 24 I HA 0.423 4.602 4.170 0.014 0.000 0.297 24 I C 0.245 176.437 176.117 0.125 0.000 1.011 24 I CA -0.162 61.211 61.300 0.121 0.000 1.107 24 I CB 1.702 39.741 38.000 0.065 0.000 1.285 24 I HN 0.785 8.995 8.210 -0.000 0.000 0.436 25 S N 5.068 120.859 115.700 0.152 0.000 2.713 25 S HA 0.533 5.011 4.470 0.014 0.000 0.283 25 S C 0.929 175.573 174.600 0.073 0.000 1.161 25 S CA -0.191 58.084 58.200 0.126 0.000 0.999 25 S CB 1.686 65.001 63.200 0.191 0.000 1.039 25 S HN 0.779 9.089 8.310 -0.000 0.000 0.548 26 A N 0.181 123.033 122.820 0.053 0.000 2.070 26 A HA -0.014 4.315 4.320 0.014 0.000 0.220 26 A C 1.557 179.161 177.584 0.034 0.000 1.159 26 A CA 1.310 53.368 52.037 0.035 0.000 0.656 26 A CB -0.817 18.199 19.000 0.026 0.000 0.800 26 A HN 0.827 8.977 8.150 -0.000 0.000 0.453 27 E N -1.448 118.778 120.200 0.044 0.000 2.489 27 E HA 0.321 4.679 4.350 0.014 0.000 0.193 27 E C 1.211 177.829 176.600 0.031 0.000 1.057 27 E CA 0.687 57.108 56.400 0.035 0.000 0.866 27 E CB -0.065 29.659 29.700 0.040 0.000 0.916 27 E HN 0.705 9.065 8.360 -0.000 0.000 0.500 28 G N 0.961 109.784 108.800 0.038 0.000 2.157 28 G HA2 -0.346 3.623 3.960 0.014 0.000 0.239 28 G HA3 -0.346 3.623 3.960 0.014 0.000 0.239 28 G C 0.256 175.166 174.900 0.018 0.000 0.982 28 G CA 0.186 45.302 45.100 0.028 0.000 0.650 28 G HN 0.242 8.532 8.290 -0.000 0.000 0.527 29 K N 0.450 120.863 120.400 0.021 0.000 2.249 29 K HA 0.647 4.975 4.320 0.014 0.000 0.280 29 K C 0.209 176.764 176.600 -0.075 0.000 1.033 29 K CA -0.590 55.662 56.287 -0.058 0.000 0.946 29 K CB 0.318 32.769 32.500 -0.082 0.000 1.005 29 K HN 0.244 8.494 8.250 -0.000 0.000 0.469 30 I N 4.762 125.236 120.570 -0.159 0.000 2.378 30 I HA 0.209 4.387 4.170 0.014 0.000 0.291 30 I C -1.044 174.947 176.117 -0.210 0.000 0.992 30 I CA -1.003 60.251 61.300 -0.078 0.000 1.154 30 I CB 1.009 39.013 38.000 0.006 0.000 1.315 30 I HN 0.514 8.724 8.210 -0.000 0.000 0.448 31 Y N 6.382 126.713 120.300 0.052 0.000 2.331 31 Y HA 0.404 4.964 4.550 0.017 0.000 0.338 31 Y C -2.267 173.643 175.900 0.017 0.000 0.976 31 Y CA -2.832 55.298 58.100 0.050 0.000 1.137 31 Y CB 0.822 39.294 38.460 0.021 0.000 1.172 31 Y HN 0.360 8.640 8.280 -0.000 0.000 0.478 32 P HA 0.017 4.437 4.420 -0.000 0.000 0.268 32 P C -0.230 177.080 177.300 0.017 0.000 1.208 32 P CA 0.077 63.190 63.100 0.021 0.000 0.777 32 P CB 0.746 32.470 31.700 0.040 0.000 0.875 33 L N 0.875 122.073 121.223 -0.042 0.000 2.479 33 L HA 0.545 4.893 4.340 0.014 0.000 0.249 33 L C 1.313 178.144 176.870 -0.065 0.000 1.178 33 L CA -0.288 54.516 54.840 -0.059 0.000 0.811 33 L CB 0.120 42.124 42.059 -0.091 0.000 1.187 33 L HN 0.426 8.656 8.230 -0.000 0.000 0.480 34 G N -1.119 107.630 108.800 -0.085 0.000 2.471 34 G HA2 0.409 4.377 3.960 0.014 0.000 0.332 34 G HA3 0.409 4.377 3.960 0.014 0.000 0.332 34 G C 0.191 175.022 174.900 -0.115 0.000 1.176 34 G CA -0.283 44.767 45.100 -0.082 0.000 0.949 34 G HN 0.648 8.938 8.290 -0.000 0.000 0.488 35 S N -0.572 115.073 115.700 -0.091 0.000 2.557 35 S HA 0.127 4.606 4.470 0.014 0.000 0.223 35 S C 0.329 174.876 174.600 -0.088 0.000 0.969 35 S CA -0.314 57.833 58.200 -0.088 0.000 0.927 35 S CB -0.169 63.015 63.200 -0.027 0.000 0.806 35 S HN 0.725 9.035 8.310 -0.000 0.000 0.489 36 D N 0.953 121.291 120.400 -0.103 0.000 2.340 36 D HA 0.177 4.825 4.640 0.014 0.000 0.251 36 D C 0.452 176.709 176.300 -0.071 0.000 1.080 36 D CA -0.435 53.522 54.000 -0.072 0.000 0.971 36 D CB 0.778 41.540 40.800 -0.063 0.000 1.137 36 D HN -0.075 8.295 8.370 -0.000 0.000 0.475 37 T N 0.178 114.760 114.554 0.047 0.000 2.788 37 T HA -0.153 4.205 4.350 0.014 0.000 0.268 37 T C 2.128 176.828 174.700 -0.001 0.000 1.044 37 T CA 2.631 64.797 62.100 0.110 0.000 1.139 37 T CB -0.431 68.583 68.868 0.242 0.000 0.867 37 T HN 0.675 8.915 8.240 -0.000 0.000 0.454 38 K N 1.151 121.544 120.400 -0.011 0.000 2.074 38 K HA -0.097 4.231 4.320 0.014 0.000 0.209 38 K C 2.475 179.025 176.600 -0.083 0.000 1.048 38 K CA 1.782 58.053 56.287 -0.028 0.000 0.926 38 K CB -1.456 31.031 32.500 -0.021 0.000 0.713 38 K HN 0.351 8.601 8.250 -0.000 0.000 0.444 39 V N 1.041 120.879 119.914 -0.127 0.000 2.255 39 V HA -0.153 3.975 4.120 0.014 0.000 0.243 39 V C 2.577 178.490 176.094 -0.301 0.000 1.038 39 V CA 1.693 63.886 62.300 -0.178 0.000 1.008 39 V CB -0.421 31.299 31.823 -0.172 0.000 0.645 39 V HN 0.512 8.702 8.190 -0.000 0.000 0.449 40 L N 1.068 122.026 121.223 -0.441 0.000 2.083 40 L HA -0.160 4.188 4.340 0.014 0.000 0.209 40 L C 2.758 179.117 176.870 -0.852 0.000 1.083 40 L CA 1.803 56.130 54.840 -0.854 0.000 0.752 40 L CB -0.846 40.538 42.059 -1.124 0.000 0.899 40 L HN 0.566 8.796 8.230 -0.000 0.000 0.433 41 S N -1.681 113.818 115.700 -0.335 0.000 2.382 41 S HA -0.199 4.279 4.470 0.014 0.000 0.228 41 S C 1.985 176.525 174.600 -0.101 0.000 1.027 41 S CA 1.710 59.861 58.200 -0.082 0.000 0.991 41 S CB -0.727 62.512 63.200 0.066 0.000 0.823 41 S HN 0.312 8.622 8.310 -0.000 0.000 0.469 42 T N 2.448 116.919 114.554 -0.138 0.000 2.746 42 T HA 0.051 4.409 4.350 0.014 0.000 0.267 42 T C 1.684 176.316 174.700 -0.114 0.000 1.039 42 T CA 1.348 63.394 62.100 -0.091 0.000 1.142 42 T CB -0.361 68.456 68.868 -0.086 0.000 0.866 42 T HN 0.277 8.517 8.240 -0.000 0.000 0.444 43 I N 0.900 121.317 120.570 -0.255 0.000 2.142 43 I HA -0.054 4.124 4.170 0.014 0.000 0.240 43 I C 2.044 178.076 176.117 -0.141 0.000 1.078 43 I CA 1.168 62.319 61.300 -0.248 0.000 1.343 43 I CB -1.507 36.233 38.000 -0.433 0.000 1.046 43 I HN 0.207 8.417 8.210 -0.000 0.000 0.405 44 F N 1.299 121.092 119.950 -0.261 0.000 2.202 44 F HA -0.200 4.341 4.527 0.024 0.000 0.301 44 F C 2.626 178.320 175.800 -0.175 0.000 1.082 44 F CA 1.357 59.075 58.000 -0.471 0.000 1.313 44 F CB -1.161 37.299 39.000 -0.900 0.000 1.024 44 F HN 0.307 8.607 8.300 -0.000 0.000 0.495 45 E N 0.625 120.909 120.200 0.140 0.000 2.047 45 E HA -0.166 4.192 4.350 0.014 0.000 0.191 45 E C 2.174 178.919 176.600 0.243 0.000 0.987 45 E CA 0.991 57.532 56.400 0.235 0.000 0.799 45 E CB -0.271 29.544 29.700 0.192 0.000 0.752 45 E HN 0.402 8.762 8.360 -0.000 0.000 0.449 46 L N 0.107 121.428 121.223 0.164 0.000 2.131 46 L HA -0.108 4.240 4.340 0.014 0.000 0.210 46 L C 2.431 179.400 176.870 0.165 0.000 1.092 46 L CA 0.800 55.727 54.840 0.146 0.000 0.759 46 L CB -0.408 41.702 42.059 0.085 0.000 0.903 46 L HN 0.223 8.453 8.230 -0.000 0.000 0.435 47 F N 0.404 120.371 119.950 0.027 0.000 2.206 47 F HA -0.165 4.369 4.527 0.011 0.000 0.298 47 F C 2.529 178.349 175.800 0.033 0.000 1.090 47 F CA 1.475 59.486 58.000 0.017 0.000 1.323 47 F CB -0.014 39.001 39.000 0.024 0.000 1.028 47 F HN -0.075 8.225 8.300 -0.000 0.000 0.492 48 S N 0.257 116.081 115.700 0.207 0.000 2.414 48 S HA -0.108 4.370 4.470 0.014 0.000 0.227 48 S C 2.005 176.554 174.600 -0.086 0.000 1.022 48 S CA 0.699 58.959 58.200 0.099 0.000 0.958 48 S CB -0.367 62.975 63.200 0.237 0.000 0.797 48 S HN 0.377 8.687 8.310 -0.000 0.000 0.493 49 R N 2.005 122.495 120.500 -0.017 0.000 2.115 49 R HA -0.144 4.204 4.340 0.014 0.000 0.239 49 R C -0.829 175.385 176.300 -0.144 0.000 1.133 49 R CA 2.235 58.288 56.100 -0.078 0.000 0.935 49 R CB -1.368 29.035 30.300 0.171 0.000 0.853 49 R HN 0.330 8.600 8.270 -0.000 0.000 0.433 50 P HA -0.151 4.269 4.420 -0.000 0.000 0.218 50 P C 1.383 178.603 177.300 -0.134 0.000 1.149 50 P CA 1.193 64.224 63.100 -0.115 0.000 0.817 50 P CB -0.157 31.465 31.700 -0.130 0.000 0.785 51 I N -0.166 120.305 120.570 -0.164 0.000 2.202 51 I HA -0.162 4.016 4.170 0.014 0.000 0.242 51 I C 2.714 178.752 176.117 -0.131 0.000 1.091 51 I CA 0.940 62.161 61.300 -0.133 0.000 1.368 51 I CB -1.306 36.619 38.000 -0.125 0.000 1.058 51 I HN -0.087 8.123 8.210 -0.000 0.000 0.410 52 I N 1.000 121.446 120.570 -0.208 0.000 2.127 52 I HA -0.346 3.832 4.170 0.014 0.000 0.241 52 I C 2.117 178.122 176.117 -0.186 0.000 1.075 52 I CA 1.711 62.856 61.300 -0.259 0.000 1.334 52 I CB -0.523 37.139 38.000 -0.562 0.000 1.040 52 I HN 0.267 8.477 8.210 -0.000 0.000 0.405 53 N N 0.580 119.178 118.700 -0.170 0.000 2.104 53 N HA -0.225 4.523 4.740 0.014 0.000 0.190 53 N C 1.786 177.269 175.510 -0.044 0.000 1.024 53 N CA 1.198 54.199 53.050 -0.083 0.000 0.853 53 N CB -0.131 38.324 38.487 -0.053 0.000 1.008 53 N HN 0.262 8.642 8.380 -0.000 0.000 0.424 54 K N 0.668 121.039 120.400 -0.048 0.000 1.973 54 K HA -0.112 4.217 4.320 0.014 0.000 0.212 54 K C 1.618 178.228 176.600 0.016 0.000 1.047 54 K CA 1.197 57.473 56.287 -0.018 0.000 0.937 54 K CB -0.075 32.409 32.500 -0.026 0.000 0.721 54 K HN 0.026 8.276 8.250 -0.000 0.000 0.440 55 I N 1.614 122.191 120.570 0.011 0.000 2.208 55 I HA -0.240 3.939 4.170 0.014 0.000 0.245 55 I C 2.599 178.781 176.117 0.109 0.000 1.097 55 I CA 1.558 62.896 61.300 0.063 0.000 1.363 55 I CB -1.737 36.265 38.000 0.003 0.000 1.051 55 I HN 0.300 8.510 8.210 -0.000 0.000 0.413 56 A N 0.859 123.696 122.820 0.028 0.000 1.865 56 A HA -0.249 4.079 4.320 0.014 0.000 0.217 56 A C 2.522 180.205 177.584 0.164 0.000 1.191 56 A CA 2.709 54.783 52.037 0.061 0.000 0.623 56 A CB -1.150 17.846 19.000 -0.005 0.000 0.826 56 A HN 0.473 8.623 8.150 -0.000 0.000 0.444 57 E N -0.015 120.237 120.200 0.087 0.000 2.118 57 E HA -0.233 4.125 4.350 0.014 0.000 0.195 57 E C 2.046 178.695 176.600 0.082 0.000 0.992 57 E CA 1.681 58.120 56.400 0.064 0.000 0.804 57 E CB -0.652 29.062 29.700 0.024 0.000 0.741 57 E HN 0.550 8.910 8.360 -0.000 0.000 0.458 58 K N -0.580 119.884 120.400 0.107 0.000 2.211 58 K HA -0.136 4.193 4.320 0.014 0.000 0.204 58 K C 1.201 177.814 176.600 0.022 0.000 1.047 58 K CA 1.331 57.659 56.287 0.069 0.000 0.935 58 K CB -0.193 32.368 32.500 0.102 0.000 0.728 58 K HN 0.652 8.902 8.250 -0.000 0.000 0.452 59 H N -1.250 117.884 119.070 0.106 0.000 2.542 59 H HA 0.097 4.662 4.556 0.014 0.000 0.283 59 H C 0.642 176.046 175.328 0.126 0.000 1.059 59 H CA 0.459 56.609 56.048 0.170 0.000 1.162 59 H CB 0.744 30.691 29.762 0.307 0.000 1.539 59 H HN 0.391 8.671 8.280 -0.000 0.000 0.543 60 G N 1.144 110.018 108.800 0.123 0.000 2.198 60 G HA2 -0.310 3.659 3.960 0.014 0.000 0.260 60 G HA3 -0.310 3.659 3.960 0.014 0.000 0.260 60 G C -0.484 174.350 174.900 -0.110 0.000 1.025 60 G CA 0.054 45.140 45.100 -0.022 0.000 0.769 60 G HN 0.361 8.651 8.290 -0.000 0.000 0.507 61 Y N -0.930 119.343 120.300 -0.045 0.000 2.334 61 Y HA 0.615 5.173 4.550 0.014 0.000 0.328 61 Y C 1.095 176.879 175.900 -0.194 0.000 1.130 61 Y CA 0.073 58.097 58.100 -0.126 0.000 1.163 61 Y CB 1.151 39.554 38.460 -0.095 0.000 1.207 61 Y HN 0.499 8.779 8.280 -0.000 0.000 0.471 62 I N 2.735 123.166 120.570 -0.231 0.000 2.499 62 I HA 0.641 4.819 4.170 0.014 0.000 0.296 62 I C -0.463 175.521 176.117 -0.221 0.000 0.992 62 I CA -0.884 60.234 61.300 -0.302 0.000 1.297 62 I CB 0.826 38.473 38.000 -0.588 0.000 1.410 62 I HN 0.450 8.660 8.210 -0.000 0.000 0.507 63 V N 4.696 124.565 119.914 -0.075 0.000 2.459 63 V HA 0.657 4.785 4.120 0.014 0.000 0.295 63 V C -0.143 176.017 176.094 0.109 0.000 1.029 63 V CA -0.626 61.699 62.300 0.043 0.000 0.874 63 V CB 1.382 33.250 31.823 0.076 0.000 0.985 63 V HN 0.989 9.179 8.190 -0.000 0.000 0.438 64 E N 3.049 123.364 120.200 0.191 0.000 2.263 64 E HA 0.490 4.848 4.350 0.014 0.000 0.268 64 E C -1.034 175.670 176.600 0.173 0.000 0.884 64 E CA -0.547 55.978 56.400 0.209 0.000 0.766 64 E CB 1.932 31.826 29.700 0.323 0.000 1.196 64 E HN 0.774 9.134 8.360 -0.000 0.000 0.416 65 E N 3.371 123.626 120.200 0.092 0.000 2.227 65 E HA 0.376 4.735 4.350 0.014 0.000 0.268 65 E C -2.315 174.279 176.600 -0.010 0.000 0.990 65 E CA -2.162 54.212 56.400 -0.043 0.000 0.856 65 E CB 1.247 30.878 29.700 -0.115 0.000 1.159 65 E HN 0.364 8.724 8.360 -0.000 0.000 0.401 66 P HA 0.015 4.435 4.420 -0.000 0.000 0.268 66 P C -0.081 177.202 177.300 -0.028 0.000 1.208 66 P CA 0.239 63.340 63.100 0.002 0.000 0.777 66 P CB 0.441 32.143 31.700 0.004 0.000 0.875 67 K N -0.912 119.467 120.400 -0.035 0.000 2.374 67 K HA 0.444 4.772 4.320 0.014 0.000 0.196 67 K C 0.838 177.368 176.600 -0.116 0.000 1.023 67 K CA 1.232 57.485 56.287 -0.057 0.000 1.103 67 K CB -0.572 31.906 32.500 -0.036 0.000 0.848 67 K HN 0.753 9.003 8.250 -0.000 0.000 0.528 68 Q N -2.468 117.217 119.800 -0.190 0.000 2.435 68 Q HA 0.593 4.941 4.340 0.014 0.000 0.282 68 Q C 0.958 176.838 176.000 -0.199 0.000 1.020 68 Q CA 0.196 55.853 55.803 -0.242 0.000 0.820 68 Q CB 0.323 28.819 28.738 -0.403 0.000 1.436 68 Q HN 0.744 9.014 8.270 -0.000 0.000 0.395 69 Q N 0.473 120.199 119.800 -0.122 0.000 2.226 69 Q HA -0.114 4.234 4.340 0.014 0.000 0.204 69 Q C 0.804 176.800 176.000 -0.006 0.000 0.975 69 Q CA 2.018 57.789 55.803 -0.054 0.000 0.866 69 Q CB -0.186 28.532 28.738 -0.034 0.000 0.915 69 Q HN 0.723 8.993 8.270 -0.000 0.000 0.440 70 N N 0.492 119.182 118.700 -0.016 0.000 2.378 70 N HA 0.157 4.905 4.740 0.014 0.000 0.243 70 N C -1.200 174.523 175.510 0.354 0.000 1.137 70 N CA -0.035 53.086 53.050 0.119 0.000 0.862 70 N CB 0.253 38.801 38.487 0.102 0.000 1.116 70 N HN 0.558 8.938 8.380 -0.000 0.000 0.499 71 H N -0.537 118.582 119.070 0.083 0.000 2.538 71 H HA 0.257 4.821 4.556 0.012 0.000 0.353 71 H C -0.920 174.484 175.328 0.125 0.000 1.109 71 H CA -0.901 55.213 56.048 0.109 0.000 1.192 71 H CB 0.833 30.627 29.762 0.054 0.000 1.555 71 H HN 0.139 8.419 8.280 -0.000 0.000 0.518 72 Y N 4.990 125.350 120.300 0.100 0.000 2.419 72 Y HA 0.530 5.084 4.550 0.006 0.000 0.328 72 Y C -2.851 172.984 175.900 -0.110 0.000 1.162 72 Y CA -2.130 55.944 58.100 -0.043 0.000 1.174 72 Y CB 1.660 40.006 38.460 -0.190 0.000 1.228 72 Y HN 0.441 8.721 8.280 -0.000 0.000 0.473 73 P HA 0.203 4.623 4.420 -0.000 0.000 0.292 73 P C -0.570 176.510 177.300 -0.367 0.000 1.304 73 P CA -0.190 62.332 63.100 -0.964 0.000 0.848 73 P CB 1.813 32.748 31.700 -1.276 0.000 1.260 74 D N -0.824 119.403 120.400 -0.288 0.000 2.117 74 D HA -0.024 4.624 4.640 0.014 0.000 0.197 74 D C 0.091 175.924 176.300 -0.778 0.000 0.987 74 D CA 1.875 55.603 54.000 -0.453 0.000 0.829 74 D CB -0.156 40.445 40.800 -0.333 0.000 0.961 74 D HN 0.324 8.694 8.370 -0.000 0.000 0.460 75 F N -0.677 119.245 119.950 -0.047 0.000 2.561 75 F HA 0.296 4.834 4.527 0.018 0.000 0.313 75 F C -0.071 175.719 175.800 -0.017 0.000 1.126 75 F CA -0.789 57.205 58.000 -0.011 0.000 0.918 75 F CB 2.208 41.206 39.000 -0.003 0.000 1.199 75 F HN -0.510 7.790 8.300 -0.000 0.000 0.444 76 T N 4.659 119.345 114.554 0.221 0.000 2.770 76 T HA 0.639 4.997 4.350 0.014 0.000 0.283 76 T C -0.830 173.982 174.700 0.187 0.000 0.988 76 T CA -0.417 61.819 62.100 0.228 0.000 0.957 76 T CB 0.679 69.743 68.868 0.325 0.000 0.930 76 T HN 0.171 8.411 8.240 -0.000 0.000 0.443 77 L N 5.027 126.299 121.223 0.083 0.000 2.322 77 L HA 0.688 5.037 4.340 0.014 0.000 0.281 77 L C -0.694 176.297 176.870 0.200 0.000 1.014 77 L CA -0.752 54.116 54.840 0.048 0.000 0.815 77 L CB 0.830 42.791 42.059 -0.164 0.000 1.247 77 L HN 0.725 8.955 8.230 -0.000 0.000 0.421 78 Y N 0.045 120.439 120.300 0.156 0.000 2.558 78 Y HA 0.636 5.193 4.550 0.012 0.000 0.333 78 Y C -1.153 174.699 175.900 -0.081 0.000 1.125 78 Y CA -1.414 56.719 58.100 0.055 0.000 1.039 78 Y CB 1.213 39.554 38.460 -0.198 0.000 1.331 78 Y HN 0.373 8.653 8.280 -0.000 0.000 0.456 79 K N 3.594 123.890 120.400 -0.173 0.000 2.143 79 K HA 0.336 4.664 4.320 0.014 0.000 0.272 79 K C -2.218 174.361 176.600 -0.036 0.000 1.001 79 K CA -1.880 54.210 56.287 -0.327 0.000 0.915 79 K CB 1.487 33.697 32.500 -0.484 0.000 1.047 79 K HN 0.407 8.657 8.250 -0.000 0.000 0.458 80 P HA -0.216 4.204 4.420 -0.000 0.000 0.218 80 P C 1.014 178.315 177.300 0.002 0.000 1.148 80 P CA 1.283 64.412 63.100 0.047 0.000 0.822 80 P CB 0.225 31.924 31.700 -0.002 0.000 0.784 81 S N -1.258 114.414 115.700 -0.046 0.000 2.453 81 S HA -0.067 4.411 4.470 0.014 0.000 0.231 81 S C 0.850 175.419 174.600 -0.051 0.000 1.005 81 S CA 0.720 58.890 58.200 -0.050 0.000 0.949 81 S CB -0.697 62.465 63.200 -0.064 0.000 0.774 81 S HN 0.227 8.537 8.310 -0.000 0.000 0.510 82 E N 2.022 122.188 120.200 -0.057 0.000 3.406 82 E HA 0.216 4.574 4.350 0.014 0.000 0.210 82 E C -2.095 174.456 176.600 -0.082 0.000 1.167 82 E CA -1.937 54.427 56.400 -0.061 0.000 1.132 82 E CB 1.242 30.907 29.700 -0.058 0.000 1.309 82 E HN 0.381 8.741 8.360 -0.000 0.000 0.424 83 P HA -0.130 4.290 4.420 -0.000 0.000 0.222 83 P C 0.139 177.268 177.300 -0.284 0.000 1.147 83 P CA 1.029 63.985 63.100 -0.240 0.000 0.790 83 P CB 0.287 31.871 31.700 -0.194 0.000 0.780 84 N N -0.472 118.120 118.700 -0.181 0.000 2.273 84 N HA 0.106 4.854 4.740 0.014 0.000 0.231 84 N C 0.271 175.695 175.510 -0.144 0.000 1.134 84 N CA 0.026 52.976 53.050 -0.167 0.000 0.856 84 N CB 0.262 38.690 38.487 -0.098 0.000 1.068 84 N HN 0.098 8.478 8.380 -0.000 0.000 0.510 85 K N 0.543 120.854 120.400 -0.148 0.000 3.202 85 K HA 0.197 4.525 4.320 0.014 0.000 0.206 85 K C -0.485 176.042 176.600 -0.122 0.000 1.142 85 K CA -0.236 55.992 56.287 -0.099 0.000 0.979 85 K CB 0.720 33.199 32.500 -0.034 0.000 0.863 85 K HN 0.065 8.315 8.250 -0.000 0.000 0.479 86 K N 1.046 121.283 120.400 -0.272 0.000 2.258 86 K HA 0.310 4.638 4.320 0.014 0.000 0.264 86 K C 0.035 176.498 176.600 -0.228 0.000 1.007 86 K CA 0.054 56.136 56.287 -0.341 0.000 0.941 86 K CB 0.960 32.933 32.500 -0.879 0.000 0.966 86 K HN 0.114 8.364 8.250 -0.000 0.000 0.480 87 I N 1.619 122.076 120.570 -0.190 0.000 2.418 87 I HA 0.228 4.406 4.170 0.014 0.000 0.287 87 I C -0.389 175.605 176.117 -0.205 0.000 1.008 87 I CA -0.768 60.314 61.300 -0.365 0.000 1.104 87 I CB 1.905 39.464 38.000 -0.734 0.000 1.264 87 I HN 0.577 8.787 8.210 -0.000 0.000 0.438 88 A N 8.099 130.776 122.820 -0.238 0.000 2.289 88 A HA 0.768 5.097 4.320 0.014 0.000 0.298 88 A C -0.436 177.037 177.584 -0.185 0.000 1.208 88 A CA -0.278 51.622 52.037 -0.229 0.000 0.845 88 A CB 0.270 18.984 19.000 -0.477 0.000 1.125 88 A HN 0.693 8.843 8.150 -0.000 0.000 0.517 89 I N 2.313 122.854 120.570 -0.048 0.000 2.418 89 I HA 0.290 4.468 4.170 0.014 0.000 0.287 89 I C -1.109 175.115 176.117 0.179 0.000 1.008 89 I CA -0.465 60.908 61.300 0.121 0.000 1.104 89 I CB 2.018 40.114 38.000 0.161 0.000 1.264 89 I HN 0.588 8.798 8.210 -0.000 0.000 0.438 90 D N 6.510 127.029 120.400 0.199 0.000 2.505 90 D HA 0.457 5.105 4.640 0.014 0.000 0.249 90 D C -0.622 175.808 176.300 0.215 0.000 1.082 90 D CA -0.376 53.745 54.000 0.200 0.000 0.839 90 D CB 1.684 42.648 40.800 0.272 0.000 1.317 90 D HN 0.138 8.508 8.370 -0.000 0.000 0.497 91 I N 3.093 123.808 120.570 0.242 0.000 2.371 91 I HA 0.318 4.496 4.170 0.014 0.000 0.290 91 I C 0.297 176.551 176.117 0.227 0.000 1.028 91 I CA -0.309 61.145 61.300 0.256 0.000 1.345 91 I CB 0.535 38.739 38.000 0.340 0.000 1.407 91 I HN 0.234 8.444 8.210 -0.000 0.000 0.501 92 K N 4.412 124.930 120.400 0.197 0.000 2.422 92 K HA 0.705 5.033 4.320 0.014 0.000 0.251 92 K C -0.807 176.032 176.600 0.398 0.000 0.933 92 K CA -0.699 55.741 56.287 0.255 0.000 0.798 92 K CB 2.808 35.418 32.500 0.184 0.000 1.238 92 K HN 0.528 8.778 8.250 -0.000 0.000 0.428 93 T N 0.260 115.105 114.554 0.485 0.000 2.906 93 T HA 0.522 4.880 4.350 0.014 0.000 0.295 93 T C -0.852 174.076 174.700 0.379 0.000 1.061 93 T CA -0.628 61.793 62.100 0.535 0.000 1.000 93 T CB 2.123 71.305 68.868 0.523 0.000 1.103 93 T HN 0.585 8.825 8.240 -0.000 0.000 0.486 94 T N 0.840 115.535 114.554 0.234 0.000 2.762 94 T HA 0.685 5.043 4.350 0.014 0.000 0.301 94 T C -2.010 172.645 174.700 -0.076 0.000 1.299 94 T CA -0.683 61.394 62.100 -0.038 0.000 1.005 94 T CB 1.126 69.664 68.868 -0.551 0.000 1.377 94 T HN 0.642 8.882 8.240 -0.000 0.000 0.504 95 Y N -0.687 119.384 120.300 -0.381 0.000 2.693 95 Y HA 0.878 5.434 4.550 0.010 0.000 0.331 95 Y C -0.552 175.125 175.900 -0.372 0.000 1.092 95 Y CA -0.922 56.780 58.100 -0.663 0.000 1.131 95 Y CB 1.616 39.432 38.460 -1.073 0.000 1.318 95 Y HN 0.630 8.910 8.280 -0.000 0.000 0.510 96 T N 0.507 114.872 114.554 -0.315 0.000 2.933 96 T HA 0.319 4.677 4.350 0.014 0.000 0.305 96 T C -0.284 174.424 174.700 0.014 0.000 1.092 96 T CA -0.641 61.312 62.100 -0.245 0.000 1.008 96 T CB 1.236 70.020 68.868 -0.140 0.000 1.102 96 T HN 0.883 9.123 8.240 -0.000 0.000 0.469 97 N N 1.397 120.108 118.700 0.018 0.000 2.207 97 N HA 0.180 4.928 4.740 0.014 0.000 0.182 97 N C 0.514 176.065 175.510 0.068 0.000 1.020 97 N CA 0.504 53.622 53.050 0.114 0.000 0.858 97 N CB 0.135 38.682 38.487 0.100 0.000 0.991 97 N HN 0.636 9.016 8.380 -0.000 0.000 0.427 98 K N 0.973 121.392 120.400 0.033 0.000 2.316 98 K HA 0.622 4.950 4.320 0.014 0.000 0.251 98 K C -0.450 176.164 176.600 0.023 0.000 0.934 98 K CA -0.374 55.933 56.287 0.033 0.000 0.802 98 K CB 0.174 32.692 32.500 0.030 0.000 1.171 98 K HN 0.259 8.509 8.250 -0.000 0.000 0.426 99 E N -0.214 120.002 120.200 0.027 0.000 2.437 99 E HA 0.378 4.736 4.350 0.014 0.000 0.263 99 E C 1.120 177.740 176.600 0.033 0.000 1.030 99 E CA 1.007 57.419 56.400 0.020 0.000 0.934 99 E CB -0.964 28.746 29.700 0.016 0.000 0.943 99 E HN 2.392 10.752 8.360 -0.000 0.000 0.444 100 N N 0.449 119.178 118.700 0.049 0.000 2.948 100 N HA -0.200 4.548 4.740 0.014 0.000 0.239 100 N C 0.451 176.089 175.510 0.213 0.000 0.954 100 N CA 1.574 54.693 53.050 0.114 0.000 0.941 100 N CB -2.181 36.342 38.487 0.060 0.000 1.101 100 N HN 0.845 9.225 8.380 -0.000 0.000 0.579 101 E N 0.113 120.375 120.200 0.104 0.000 2.376 101 E HA 0.327 4.685 4.350 0.014 0.000 0.254 101 E C 0.035 176.586 176.600 -0.082 0.000 1.213 101 E CA -0.584 55.842 56.400 0.042 0.000 0.945 101 E CB 0.509 30.192 29.700 -0.028 0.000 1.057 101 E HN 0.521 8.881 8.360 -0.000 0.000 0.479 102 K N 1.159 121.379 120.400 -0.299 0.000 2.258 102 K HA 0.288 4.616 4.320 0.014 0.000 0.264 102 K C 0.158 176.626 176.600 -0.219 0.000 1.007 102 K CA 0.115 56.116 56.287 -0.477 0.000 0.941 102 K CB 0.343 32.354 32.500 -0.814 0.000 0.966 102 K HN 0.403 8.653 8.250 -0.000 0.000 0.480 103 I N -3.225 117.281 120.570 -0.106 0.000 3.174 103 I HA 0.775 4.953 4.170 0.014 0.000 0.313 103 I C -0.960 175.230 176.117 0.122 0.000 1.155 103 I CA -1.109 60.144 61.300 -0.077 0.000 0.977 103 I CB 2.190 40.054 38.000 -0.226 0.000 1.248 103 I HN 0.478 8.688 8.210 -0.000 0.000 0.453 104 K N 2.214 122.563 120.400 -0.086 0.000 2.551 104 K HA 0.806 5.134 4.320 0.014 0.000 0.269 104 K C -2.143 174.320 176.600 -0.229 0.000 0.949 104 K CA -0.481 55.860 56.287 0.089 0.000 0.849 104 K CB 1.659 34.248 32.500 0.148 0.000 1.411 104 K HN 0.585 8.835 8.250 -0.000 0.000 0.432 105 F N 0.384 120.438 119.950 0.173 0.000 2.593 105 F HA 0.624 5.154 4.527 0.005 0.000 0.320 105 F C 0.999 176.872 175.800 0.120 0.000 1.060 105 F CA -0.749 57.331 58.000 0.133 0.000 0.940 105 F CB 2.920 42.012 39.000 0.154 0.000 1.268 105 F HN 0.524 8.824 8.300 -0.000 0.000 0.475 106 T N 0.446 115.174 114.554 0.290 0.000 2.738 106 T HA 0.456 4.814 4.350 0.014 0.000 0.298 106 T C -0.059 174.746 174.700 0.175 0.000 0.962 106 T CA -0.592 61.611 62.100 0.172 0.000 0.972 106 T CB 0.157 69.100 68.868 0.124 0.000 0.928 106 T HN 0.538 8.778 8.240 -0.000 0.000 0.474 107 L N 3.435 124.722 121.223 0.106 0.000 2.968 107 L HA 0.457 4.806 4.340 0.014 0.000 0.235 107 L C 1.371 178.263 176.870 0.037 0.000 1.323 107 L CA -0.298 54.596 54.840 0.090 0.000 1.159 107 L CB -1.241 40.862 42.059 0.073 0.000 1.523 107 L HN 1.204 9.434 8.230 -0.000 0.000 0.468 108 G N -0.488 108.336 108.800 0.039 0.000 2.746 108 G HA2 -0.095 3.873 3.960 0.014 0.000 0.685 108 G HA3 -0.095 3.873 3.960 0.014 0.000 0.685 108 G C 0.079 174.895 174.900 -0.141 0.000 1.350 108 G CA -0.698 44.404 45.100 0.004 0.000 0.837 108 G HN 0.462 8.752 8.290 -0.000 0.000 0.564 109 G N -0.956 107.701 108.800 -0.238 0.000 2.569 109 G HA2 0.583 4.552 3.960 0.014 0.000 0.249 109 G HA3 0.583 4.552 3.960 0.014 0.000 0.249 109 G C 0.558 175.186 174.900 -0.452 0.000 1.216 109 G CA 0.596 45.470 45.100 -0.377 0.000 0.845 109 G HN 1.832 10.122 8.290 -0.000 0.000 0.568 110 Y N -1.728 118.382 120.300 -0.318 0.000 2.507 110 Y HA 0.317 4.877 4.550 0.017 0.000 0.254 110 Y C 1.611 177.372 175.900 -0.232 0.000 1.171 110 Y CA 0.134 58.070 58.100 -0.274 0.000 1.238 110 Y CB -0.099 38.329 38.460 -0.053 0.000 1.148 110 Y HN 0.444 8.724 8.280 -0.000 0.000 0.525 111 T N -3.207 111.144 114.554 -0.338 0.000 3.091 111 T HA 0.293 4.651 4.350 0.014 0.000 0.277 111 T C 0.900 175.438 174.700 -0.270 0.000 0.996 111 T CA 0.331 62.293 62.100 -0.230 0.000 0.897 111 T CB -0.325 68.413 68.868 -0.218 0.000 1.109 111 T HN 0.343 8.583 8.240 -0.000 0.000 0.534 112 S N 1.912 117.352 115.700 -0.433 0.000 3.464 112 S HA 0.294 4.772 4.470 0.014 0.000 0.176 112 S C 1.461 175.825 174.600 -0.394 0.000 0.824 112 S CA 0.095 58.069 58.200 -0.376 0.000 1.290 112 S CB -1.067 61.915 63.200 -0.364 0.000 0.644 112 S HN 0.324 8.634 8.310 -0.000 0.000 0.659 113 F N 2.491 122.319 119.950 -0.203 0.000 2.250 113 F HA 0.132 4.663 4.527 0.006 0.000 0.301 113 F C 2.195 177.630 175.800 -0.609 0.000 1.077 113 F CA 0.628 58.462 58.000 -0.278 0.000 1.348 113 F CB -1.115 37.793 39.000 -0.153 0.000 1.040 113 F HN 0.408 8.708 8.300 -0.000 0.000 0.509 114 I N -0.524 119.563 120.570 -0.804 0.000 2.830 114 I HA 0.012 4.190 4.170 0.014 0.000 0.263 114 I C 1.947 177.818 176.117 -0.409 0.000 1.230 114 I CA 1.116 61.977 61.300 -0.732 0.000 1.480 114 I CB -0.245 37.429 38.000 -0.543 0.000 1.095 114 I HN 0.091 8.301 8.210 -0.000 0.000 0.455 115 R N 0.570 120.894 120.500 -0.293 0.000 2.373 115 R HA 0.256 4.604 4.340 0.014 0.000 0.221 115 R C 0.054 176.299 176.300 -0.091 0.000 0.893 115 R CA -0.054 55.959 56.100 -0.145 0.000 1.049 115 R CB 0.265 30.506 30.300 -0.097 0.000 1.119 115 R HN 0.295 8.565 8.270 -0.000 0.000 0.535 116 N N 0.647 119.287 118.700 -0.099 0.000 2.558 116 N HA 0.015 4.764 4.740 0.014 0.000 0.285 116 N C -0.348 175.178 175.510 0.027 0.000 1.112 116 N CA -0.094 52.942 53.050 -0.023 0.000 0.857 116 N CB 1.329 39.804 38.487 -0.019 0.000 1.376 116 N HN -0.152 8.228 8.380 -0.000 0.000 0.526 117 N N 1.861 120.609 118.700 0.081 0.000 2.187 117 N HA -0.210 4.538 4.740 0.014 0.000 0.194 117 N C 0.916 176.548 175.510 0.204 0.000 1.002 117 N CA 2.682 55.842 53.050 0.183 0.000 0.882 117 N CB 0.211 38.805 38.487 0.179 0.000 1.003 117 N HN 0.686 9.066 8.380 -0.000 0.000 0.443 118 T N -4.208 110.423 114.554 0.128 0.000 3.200 118 T HA 0.226 4.584 4.350 0.014 0.000 0.284 118 T C 0.102 174.836 174.700 0.057 0.000 1.009 118 T CA -0.616 61.545 62.100 0.102 0.000 0.907 118 T CB 0.046 68.955 68.868 0.069 0.000 1.120 118 T HN 0.045 8.285 8.240 -0.000 0.000 0.534 119 K N 1.943 122.387 120.400 0.075 0.000 2.248 119 K HA 0.315 4.644 4.320 0.014 0.000 0.281 119 K C -0.366 176.292 176.600 0.097 0.000 1.054 119 K CA -0.267 56.049 56.287 0.049 0.000 0.903 119 K CB 0.040 32.550 32.500 0.018 0.000 1.077 119 K HN 0.247 8.497 8.250 -0.000 0.000 0.474 120 N N 1.955 120.670 118.700 0.024 0.000 2.735 120 N HA -0.245 4.503 4.740 0.014 0.000 0.248 120 N C -1.019 174.536 175.510 0.076 0.000 1.083 120 N CA 0.893 53.989 53.050 0.076 0.000 0.703 120 N CB -1.063 37.551 38.487 0.212 0.000 1.005 120 N HN 0.553 8.933 8.380 -0.000 0.000 0.550 121 I N -1.518 118.948 120.570 -0.174 0.000 2.769 121 I HA 0.303 4.481 4.170 0.014 0.000 0.298 121 I C 1.110 177.125 176.117 -0.170 0.000 1.128 121 I CA -0.986 60.282 61.300 -0.053 0.000 1.031 121 I CB 1.580 39.645 38.000 0.109 0.000 1.235 121 I HN -0.181 8.029 8.210 -0.000 0.000 0.423 122 V N 5.656 125.580 119.914 0.016 0.000 2.295 122 V HA -0.166 3.963 4.120 0.014 0.000 0.246 122 V C 0.077 176.103 176.094 -0.113 0.000 1.049 122 V CA 1.617 63.935 62.300 0.030 0.000 1.024 122 V CB -0.787 31.133 31.823 0.161 0.000 0.648 122 V HN 0.602 8.792 8.190 -0.000 0.000 0.447 123 Y N -1.883 118.532 120.300 0.192 0.000 2.570 123 Y HA 0.502 5.060 4.550 0.013 0.000 0.345 123 Y C -2.446 173.601 175.900 0.246 0.000 1.014 123 Y CA -2.938 55.236 58.100 0.123 0.000 1.063 123 Y CB 1.315 39.721 38.460 -0.089 0.000 1.272 123 Y HN -0.074 8.206 8.280 -0.000 0.000 0.477 124 P HA -0.080 4.340 4.420 -0.000 0.000 0.262 124 P C 0.496 178.065 177.300 0.449 0.000 1.182 124 P CA 0.523 63.804 63.100 0.301 0.000 0.761 124 P CB 0.292 32.110 31.700 0.197 0.000 0.795 125 F N 4.319 124.456 119.950 0.312 0.000 2.147 125 F HA -0.268 4.266 4.527 0.012 0.000 0.301 125 F C 1.678 177.703 175.800 0.374 0.000 1.084 125 F CA 2.245 60.462 58.000 0.362 0.000 1.268 125 F CB -0.295 38.868 39.000 0.271 0.000 1.009 125 F HN 0.343 8.643 8.300 -0.000 0.000 0.486 126 D N -0.478 120.110 120.400 0.313 0.000 2.371 126 D HA -0.144 4.504 4.640 0.014 0.000 0.234 126 D C 1.333 177.670 176.300 0.061 0.000 1.049 126 D CA 0.627 54.718 54.000 0.152 0.000 0.907 126 D CB -0.848 40.053 40.800 0.168 0.000 0.891 126 D HN 0.497 8.867 8.370 -0.000 0.000 0.531 127 Q N -1.068 118.762 119.800 0.050 0.000 2.282 127 Q HA 0.095 4.443 4.340 0.014 0.000 0.206 127 Q C -0.488 175.353 176.000 -0.265 0.000 0.878 127 Q CA -0.016 55.707 55.803 -0.133 0.000 0.944 127 Q CB 0.426 29.027 28.738 -0.229 0.000 1.100 127 Q HN 0.345 8.615 8.270 -0.000 0.000 0.509 128 Y N 0.129 120.316 120.300 -0.189 0.000 2.341 128 Y HA 0.145 4.704 4.550 0.016 0.000 0.337 128 Y C 0.874 176.605 175.900 -0.283 0.000 1.014 128 Y CA -0.926 56.996 58.100 -0.296 0.000 1.111 128 Y CB 0.877 39.075 38.460 -0.437 0.000 1.194 128 Y HN 0.011 8.291 8.280 -0.000 0.000 0.462 129 I N -0.443 120.064 120.570 -0.106 0.000 4.057 129 I HA 0.588 4.766 4.170 0.014 0.000 0.334 129 I C 0.530 176.611 176.117 -0.060 0.000 1.308 129 I CA -0.299 60.964 61.300 -0.061 0.000 1.125 129 I CB -0.088 37.895 38.000 -0.028 0.000 1.034 129 I HN 0.350 8.560 8.210 -0.000 0.000 0.401 130 A N 0.142 122.825 122.820 -0.227 0.000 2.549 130 A HA 0.750 5.079 4.320 0.014 0.000 0.297 130 A C -1.340 175.924 177.584 -0.533 0.000 1.061 130 A CA -0.427 51.484 52.037 -0.211 0.000 0.690 130 A CB 0.948 19.802 19.000 -0.244 0.000 1.287 130 A HN 0.285 8.435 8.150 -0.000 0.000 0.402 131 H N 1.497 120.601 119.070 0.058 0.000 2.953 131 H HA 0.268 4.831 4.556 0.012 0.000 0.290 131 H C -1.472 174.036 175.328 0.299 0.000 1.113 131 H CA -0.259 55.860 56.048 0.118 0.000 1.454 131 H CB 0.633 30.530 29.762 0.225 0.000 1.525 131 H HN 0.671 8.951 8.280 -0.000 0.000 0.505 132 W N 3.053 124.427 121.300 0.123 0.000 2.448 132 W HA 0.486 5.152 4.660 0.010 0.000 0.339 132 W C 0.185 176.758 176.519 0.090 0.000 1.124 132 W CA -0.899 56.491 57.345 0.075 0.000 1.262 132 W CB 0.723 30.191 29.460 0.014 0.000 1.251 132 W HN 0.351 8.531 8.180 -0.000 0.000 0.597 133 I N 3.300 124.045 120.570 0.292 0.000 2.418 133 I HA 0.277 4.455 4.170 0.014 0.000 0.287 133 I C -0.346 175.770 176.117 -0.002 0.000 1.008 133 I CA -0.760 60.628 61.300 0.147 0.000 1.104 133 I CB 1.365 39.428 38.000 0.106 0.000 1.264 133 I HN 0.082 8.292 8.210 -0.000 0.000 0.438 134 I N 6.095 126.624 120.570 -0.068 0.000 2.287 134 I HA 0.290 4.469 4.170 0.014 0.000 0.290 134 I C 0.763 176.564 176.117 -0.528 0.000 1.069 134 I CA -0.134 61.007 61.300 -0.265 0.000 1.237 134 I CB 0.784 38.738 38.000 -0.076 0.000 1.418 134 I HN 0.611 8.821 8.210 -0.000 0.000 0.481 135 G N 5.688 113.743 108.800 -1.243 0.000 2.338 135 G HA2 0.459 4.427 3.960 0.014 0.000 0.298 135 G HA3 0.459 4.427 3.960 0.014 0.000 0.298 135 G C -1.282 173.019 174.900 -0.999 0.000 1.140 135 G CA -0.170 44.076 45.100 -1.424 0.000 0.860 135 G HN 0.400 8.690 8.290 -0.000 0.000 0.470 136 Y N 0.975 121.138 120.300 -0.228 0.000 2.364 136 Y HA 0.499 5.058 4.550 0.015 0.000 0.340 136 Y C 0.001 175.951 175.900 0.083 0.000 0.975 136 Y CA -0.642 57.361 58.100 -0.161 0.000 1.089 136 Y CB 2.778 41.067 38.460 -0.286 0.000 1.192 136 Y HN 0.353 8.633 8.280 -0.000 0.000 0.454 137 V N 4.558 124.562 119.914 0.151 0.000 2.531 137 V HA 0.398 4.526 4.120 0.014 0.000 0.301 137 V C -1.138 175.016 176.094 0.101 0.000 1.034 137 V CA -1.127 61.246 62.300 0.121 0.000 0.865 137 V CB 1.035 32.896 31.823 0.063 0.000 0.995 137 V HN 0.643 8.833 8.190 -0.000 0.000 0.424 138 Y N 1.169 121.529 120.300 0.101 0.000 2.524 138 Y HA 0.844 5.397 4.550 0.005 0.000 0.344 138 Y C -0.063 175.932 175.900 0.158 0.000 1.012 138 Y CA -1.076 57.084 58.100 0.099 0.000 1.068 138 Y CB 1.572 40.145 38.460 0.189 0.000 1.249 138 Y HN 0.452 8.732 8.280 -0.000 0.000 0.468 139 T N 2.848 117.526 114.554 0.207 0.000 2.743 139 T HA 0.621 4.979 4.350 0.014 0.000 0.293 139 T C 0.461 175.333 174.700 0.286 0.000 0.945 139 T CA -0.461 61.723 62.100 0.139 0.000 1.030 139 T CB 0.454 69.394 68.868 0.121 0.000 0.912 139 T HN 1.018 9.258 8.240 -0.000 0.000 0.483 140 R N 2.251 122.879 120.500 0.213 0.000 2.623 140 R HA 0.564 4.912 4.340 0.014 0.000 0.271 140 R C -0.075 176.328 176.300 0.171 0.000 1.043 140 R CA -0.258 55.991 56.100 0.248 0.000 1.083 140 R CB -0.212 30.137 30.300 0.081 0.000 0.974 140 R HN 0.598 8.868 8.270 -0.000 0.000 0.436 146 S N -0.167 115.568 115.700 0.058 0.000 2.392 146 S HA -0.203 4.275 4.470 0.014 0.000 0.232 146 S C 1.903 176.623 174.600 0.200 0.000 1.041 146 S CA 2.119 60.401 58.200 0.136 0.000 1.026 146 S CB -0.330 62.969 63.200 0.166 0.000 0.845 146 S HN 1.036 9.346 8.310 -0.000 0.000 0.465 147 S N 1.875 117.640 115.700 0.109 0.000 2.500 147 S HA 0.170 4.648 4.470 0.014 0.000 0.239 147 S C 1.435 176.094 174.600 0.099 0.000 0.989 147 S CA 0.771 59.025 58.200 0.089 0.000 0.951 147 S CB -0.493 62.719 63.200 0.021 0.000 0.759 147 S HN 0.486 8.796 8.310 -0.000 0.000 0.523 148 L N 0.279 121.549 121.223 0.078 0.000 2.509 148 L HA 0.142 4.490 4.340 0.014 0.000 0.222 148 L C 1.066 177.959 176.870 0.038 0.000 1.123 148 L CA 0.195 55.065 54.840 0.050 0.000 0.856 148 L CB -0.013 42.060 42.059 0.024 0.000 0.985 148 L HN 0.025 8.255 8.230 -0.000 0.000 0.456 149 K N -0.191 120.224 120.400 0.026 0.000 2.306 149 K HA 0.500 4.828 4.320 0.014 0.000 0.236 149 K C -0.048 176.506 176.600 -0.077 0.000 1.013 149 K CA -0.455 55.787 56.287 -0.074 0.000 0.857 149 K CB 1.801 34.184 32.500 -0.195 0.000 1.214 149 K HN 0.203 8.453 8.250 -0.000 0.000 0.449 150 T N -0.494 113.951 114.554 -0.183 0.000 2.918 150 T HA 0.606 4.965 4.350 0.014 0.000 0.283 150 T C -0.461 174.081 174.700 -0.264 0.000 1.001 150 T CA -0.234 61.748 62.100 -0.197 0.000 1.041 150 T CB 0.350 68.982 68.868 -0.392 0.000 1.028 150 T HN 0.500 8.740 8.240 -0.000 0.000 0.511 151 Y N -0.379 119.807 120.300 -0.191 0.000 2.602 151 Y HA 0.492 5.050 4.550 0.013 0.000 0.342 151 Y C 0.731 176.562 175.900 -0.114 0.000 1.029 151 Y CA -1.379 56.649 58.100 -0.121 0.000 1.080 151 Y CB 1.751 40.160 38.460 -0.086 0.000 1.284 151 Y HN 0.659 8.939 8.280 -0.000 0.000 0.485 152 N N 0.570 119.323 118.700 0.089 0.000 2.485 152 N HA 0.463 5.211 4.740 0.014 0.000 0.280 152 N C -0.313 175.231 175.510 0.057 0.000 1.205 152 N CA -0.588 52.483 53.050 0.035 0.000 0.959 152 N CB 1.569 40.062 38.487 0.011 0.000 1.206 152 N HN 0.463 8.843 8.380 -0.000 0.000 0.545 160 P HA 0.181 4.601 4.420 -0.000 0.000 0.268 160 P C -0.963 176.203 177.300 -0.225 0.000 1.205 160 P CA -0.210 62.788 63.100 -0.170 0.000 0.771 160 P CB 0.874 32.511 31.700 -0.105 0.000 0.858 161 K N 3.994 124.225 120.400 -0.283 0.000 2.205 161 K HA 0.260 4.588 4.320 0.014 0.000 0.279 161 K C -1.621 174.703 176.600 -0.460 0.000 1.027 161 K CA -2.054 53.953 56.287 -0.467 0.000 0.932 161 K CB -0.037 32.035 32.500 -0.713 0.000 1.032 161 K HN 0.344 8.594 8.250 -0.000 0.000 0.466 162 P HA 0.031 4.451 4.420 -0.000 0.000 0.254 162 P C -1.437 175.826 177.300 -0.062 0.000 1.631 162 P CA -0.038 62.945 63.100 -0.195 0.000 0.861 162 P CB -0.358 31.266 31.700 -0.127 0.000 1.663 163 Y N -4.180 116.122 120.300 0.004 0.000 2.583 163 Y HA 0.397 4.954 4.550 0.011 0.000 0.330 163 Y C 0.549 176.497 175.900 0.080 0.000 1.185 163 Y CA -1.316 56.844 58.100 0.100 0.000 1.107 163 Y CB 0.220 38.758 38.460 0.130 0.000 1.344 163 Y HN -0.396 7.884 8.280 -0.000 0.000 0.463 164 K N 1.245 121.824 120.400 0.298 0.000 2.128 164 K HA 0.492 4.820 4.320 0.014 0.000 0.202 164 K C 0.366 177.103 176.600 0.229 0.000 1.050 164 K CA 0.924 57.317 56.287 0.177 0.000 0.966 164 K CB 0.113 32.686 32.500 0.123 0.000 0.759 164 K HN 1.053 9.303 8.250 -0.000 0.000 0.454 165 G N -0.400 108.565 108.800 0.275 0.000 2.698 165 G HA2 0.498 4.466 3.960 0.014 0.000 0.293 165 G HA3 0.498 4.466 3.960 0.014 0.000 0.293 165 G C -1.879 173.071 174.900 0.082 0.000 1.437 165 G CA -0.566 44.630 45.100 0.160 0.000 0.852 165 G HN -0.052 8.238 8.290 -0.000 0.000 0.499 166 V N 0.710 120.581 119.914 -0.072 0.000 2.686 166 V HA 0.575 4.703 4.120 0.014 0.000 0.306 166 V C -0.446 175.507 176.094 -0.235 0.000 1.065 166 V CA -0.912 61.270 62.300 -0.197 0.000 0.894 166 V CB 1.971 33.523 31.823 -0.451 0.000 1.004 166 V HN 0.759 8.949 8.190 -0.000 0.000 0.424 167 K N 2.492 122.741 120.400 -0.251 0.000 2.318 167 K HA 0.863 5.191 4.320 0.014 0.000 0.249 167 K C -1.479 174.965 176.600 -0.260 0.000 0.942 167 K CA -0.841 55.233 56.287 -0.354 0.000 0.808 167 K CB 2.931 35.008 32.500 -0.704 0.000 1.189 167 K HN 0.407 8.657 8.250 -0.000 0.000 0.428 168 V N 3.786 123.581 119.914 -0.200 0.000 2.876 168 V HA 0.731 4.859 4.120 0.014 0.000 0.312 168 V C -1.853 174.280 176.094 0.065 0.000 1.085 168 V CA -0.615 61.484 62.300 -0.335 0.000 0.945 168 V CB 1.393 32.847 31.823 -0.616 0.000 1.017 168 V HN 0.717 8.907 8.190 -0.000 0.000 0.428 169 F N 5.095 124.988 119.950 -0.094 0.000 2.643 169 F HA 0.898 5.436 4.527 0.017 0.000 0.314 169 F C -1.736 173.961 175.800 -0.172 0.000 1.096 169 F CA -1.556 56.400 58.000 -0.074 0.000 0.953 169 F CB 1.759 40.697 39.000 -0.104 0.000 1.345 169 F HN 0.512 8.812 8.300 -0.000 0.000 0.468 170 L N 2.856 124.178 121.223 0.166 0.000 2.376 170 L HA 0.770 5.119 4.340 0.014 0.000 0.275 170 L C -1.217 175.657 176.870 0.006 0.000 0.987 170 L CA -0.192 54.647 54.840 -0.001 0.000 0.828 170 L CB 1.604 43.562 42.059 -0.168 0.000 1.249 170 L HN 0.939 9.169 8.230 -0.000 0.000 0.409 171 Q N 2.289 122.113 119.800 0.040 0.000 2.522 171 Q HA 0.411 4.759 4.340 0.014 0.000 0.285 171 Q C -1.805 174.167 176.000 -0.047 0.000 0.982 171 Q CA -0.514 55.239 55.803 -0.082 0.000 0.805 171 Q CB 2.028 30.714 28.738 -0.086 0.000 1.457 171 Q HN 0.698 8.968 8.270 -0.000 0.000 0.394 172 D N 1.990 122.313 120.400 -0.129 0.000 2.382 172 D HA 0.027 4.675 4.640 0.014 0.000 0.245 172 D C 0.440 176.691 176.300 -0.082 0.000 1.120 172 D CA 0.036 54.038 54.000 0.003 0.000 0.890 172 D CB 1.204 41.939 40.800 -0.109 0.000 1.201 172 D HN 0.546 8.916 8.370 -0.000 0.000 0.433 173 K N 3.197 123.640 120.400 0.071 0.000 2.032 173 K HA -0.142 4.186 4.320 0.014 0.000 0.209 173 K C 2.205 178.622 176.600 -0.305 0.000 1.048 173 K CA 1.177 57.452 56.287 -0.020 0.000 0.927 173 K CB -0.154 32.410 32.500 0.107 0.000 0.712 173 K HN 0.711 8.961 8.250 -0.000 0.000 0.441 174 W N 0.862 121.830 121.300 -0.553 0.000 2.350 174 W HA -0.148 4.520 4.660 0.013 0.000 0.289 174 W C 1.237 177.538 176.519 -0.363 0.000 1.215 174 W CA 0.577 57.336 57.345 -0.978 0.000 1.236 174 W CB -0.771 28.308 29.460 -0.636 0.000 1.130 174 W HN -0.124 8.056 8.180 -0.000 0.000 0.541 175 V N 3.234 122.536 119.914 -1.020 0.000 2.427 175 V HA -0.282 3.846 4.120 0.014 0.000 0.248 175 V C 2.366 178.187 176.094 -0.454 0.000 1.051 175 V CA 2.286 63.965 62.300 -1.034 0.000 1.048 175 V CB -0.681 30.503 31.823 -1.064 0.000 0.666 175 V HN 0.374 8.564 8.190 -0.000 0.000 0.456 176 I N -1.543 118.845 120.570 -0.302 0.000 3.956 176 I HA 0.498 4.676 4.170 0.014 0.000 0.333 176 I C 0.998 177.105 176.117 -0.016 0.000 1.302 176 I CA -0.235 60.951 61.300 -0.189 0.000 1.122 176 I CB -0.267 37.694 38.000 -0.065 0.000 1.013 176 I HN 0.065 8.275 8.210 -0.000 0.000 0.405 177 A N 1.691 124.545 122.820 0.057 0.000 2.462 177 A HA 0.624 4.952 4.320 0.014 0.000 0.243 177 A C 0.618 178.450 177.584 0.413 0.000 1.076 177 A CA 0.413 52.627 52.037 0.294 0.000 0.773 177 A CB -0.034 19.212 19.000 0.410 0.000 1.010 177 A HN 0.510 8.660 8.150 -0.000 0.000 0.493 178 G N -0.305 108.745 108.800 0.417 0.000 2.887 178 G HA2 0.496 4.464 3.960 0.014 0.000 0.277 178 G HA3 0.496 4.464 3.960 0.014 0.000 0.277 178 G C -0.111 175.017 174.900 0.380 0.000 1.346 178 G CA 0.269 45.519 45.100 0.250 0.000 1.058 178 G HN 0.695 8.985 8.290 -0.000 0.000 0.535 179 D N -1.565 118.887 120.400 0.088 0.000 2.398 179 D HA 0.110 4.758 4.640 0.014 0.000 0.210 179 D C 0.496 176.937 176.300 0.235 0.000 1.094 179 D CA -0.020 53.926 54.000 -0.090 0.000 0.839 179 D CB 0.148 40.700 40.800 -0.415 0.000 0.963 179 D HN 0.180 8.550 8.370 -0.000 0.000 0.506 180 L N 0.895 122.330 121.223 0.353 0.000 2.329 180 L HA 0.676 5.024 4.340 0.014 0.000 0.279 180 L C 0.389 177.525 176.870 0.443 0.000 1.014 180 L CA -1.549 53.511 54.840 0.368 0.000 0.814 180 L CB 1.883 44.084 42.059 0.236 0.000 1.257 180 L HN -0.102 8.128 8.230 -0.000 0.000 0.424 181 A N 1.669 124.767 122.820 0.463 0.000 2.555 181 A HA 0.306 4.634 4.320 0.014 0.000 0.233 181 A C 1.214 178.923 177.584 0.210 0.000 1.060 181 A CA 0.558 52.809 52.037 0.356 0.000 0.759 181 A CB 0.247 19.545 19.000 0.496 0.000 0.995 181 A HN 0.996 9.146 8.150 -0.000 0.000 0.506 182 G N 0.105 108.975 108.800 0.117 0.000 2.683 182 G HA2 0.351 4.319 3.960 0.014 0.000 0.213 182 G HA3 0.351 4.319 3.960 0.014 0.000 0.213 182 G C 0.526 175.482 174.900 0.093 0.000 1.142 182 G CA 1.037 46.192 45.100 0.092 0.000 0.793 182 G HN 1.644 9.934 8.290 -0.000 0.000 0.534 183 S N -2.352 113.417 115.700 0.115 0.000 2.570 183 S HA 0.646 5.124 4.470 0.014 0.000 0.270 183 S C 0.603 175.278 174.600 0.126 0.000 1.149 183 S CA 0.081 58.337 58.200 0.093 0.000 0.837 183 S CB 1.432 64.663 63.200 0.051 0.000 1.124 183 S HN 0.289 8.599 8.310 -0.000 0.000 0.465 184 G N 1.901 110.759 108.800 0.096 0.000 2.670 184 G HA2 0.024 3.992 3.960 0.014 0.000 0.219 184 G HA3 0.024 3.992 3.960 0.014 0.000 0.219 184 G C 1.107 176.042 174.900 0.058 0.000 1.342 184 G CA 0.620 45.781 45.100 0.101 0.000 0.902 184 G HN 0.842 9.132 8.290 -0.000 0.000 0.553 185 N N 1.194 119.911 118.700 0.029 0.000 2.364 185 N HA -0.098 4.651 4.740 0.014 0.000 0.183 185 N C 1.654 177.146 175.510 -0.031 0.000 1.022 185 N CA 2.077 55.128 53.050 0.002 0.000 0.883 185 N CB -1.064 37.425 38.487 0.003 0.000 0.965 185 N HN 0.385 8.765 8.380 -0.000 0.000 0.438 186 T N -3.723 110.811 114.554 -0.034 0.000 3.163 186 T HA 0.072 4.430 4.350 0.014 0.000 0.252 186 T C 0.323 174.929 174.700 -0.156 0.000 1.056 186 T CA 0.133 62.189 62.100 -0.073 0.000 0.947 186 T CB -1.333 67.513 68.868 -0.037 0.000 1.016 186 T HN 0.403 8.643 8.240 -0.000 0.000 0.554 187 T N 0.880 115.328 114.554 -0.177 0.000 3.151 187 T HA -0.245 4.113 4.350 0.014 0.000 0.438 187 T C -0.243 174.142 174.700 -0.524 0.000 0.772 187 T CA 0.339 62.177 62.100 -0.437 0.000 2.200 187 T CB -2.429 65.926 68.868 -0.856 0.000 1.653 187 T HN 0.684 8.924 8.240 -0.000 0.000 0.581 188 N N 0.771 119.405 118.700 -0.109 0.000 2.456 188 N HA 0.506 5.255 4.740 0.014 0.000 0.296 188 N C 0.522 176.019 175.510 -0.022 0.000 1.102 188 N CA -0.930 52.077 53.050 -0.072 0.000 0.924 188 N CB 1.089 39.558 38.487 -0.030 0.000 1.186 188 N HN 0.467 8.847 8.380 -0.000 0.000 0.492 189 I N 0.802 121.205 120.570 -0.279 0.000 2.634 189 I HA 0.118 4.296 4.170 0.014 0.000 0.284 189 I C 1.202 177.077 176.117 -0.404 0.000 1.124 189 I CA -0.081 60.670 61.300 -0.914 0.000 1.417 189 I CB 0.730 38.142 38.000 -0.979 0.000 1.396 189 I HN 0.435 8.645 8.210 -0.000 0.000 0.571 190 G N 3.589 112.208 108.800 -0.302 0.000 2.400 190 G HA2 0.498 4.466 3.960 0.014 0.000 0.333 190 G HA3 0.498 4.466 3.960 0.014 0.000 0.333 190 G C -0.251 174.735 174.900 0.142 0.000 1.143 190 G CA -0.446 44.678 45.100 0.039 0.000 0.914 190 G HN 0.688 8.978 8.290 -0.000 0.000 0.480 191 S N 1.113 116.954 115.700 0.236 0.000 2.671 191 S HA 0.572 5.050 4.470 0.014 0.000 0.272 191 S C 0.862 175.614 174.600 0.253 0.000 1.174 191 S CA -0.691 57.691 58.200 0.303 0.000 1.004 191 S CB 0.493 64.023 63.200 0.550 0.000 1.077 191 S HN 0.951 9.261 8.310 -0.000 0.000 0.553 192 I N -1.067 119.589 120.570 0.144 0.000 2.938 192 I HA 0.336 4.515 4.170 0.014 0.000 0.285 192 I C 0.046 176.274 176.117 0.185 0.000 1.182 192 I CA -0.429 60.891 61.300 0.034 0.000 1.388 192 I CB 0.053 37.919 38.000 -0.224 0.000 1.390 192 I HN 0.784 8.994 8.210 -0.000 0.000 0.600 193 H N 3.781 122.869 119.070 0.029 0.000 2.690 193 H HA 0.795 5.359 4.556 0.013 0.000 0.280 193 H C -0.833 174.489 175.328 -0.011 0.000 1.138 193 H CA -0.107 55.976 56.048 0.058 0.000 1.241 193 H CB 0.399 30.173 29.762 0.020 0.000 1.394 193 H HN 0.918 9.198 8.280 -0.000 0.000 0.489 194 A N 4.146 126.928 122.820 -0.063 0.000 2.568 194 A HA 0.393 4.721 4.320 0.014 0.000 0.291 194 A C -1.110 176.471 177.584 -0.006 0.000 1.159 194 A CA -0.874 51.060 52.037 -0.172 0.000 0.679 194 A CB 0.993 19.853 19.000 -0.232 0.000 1.285 194 A HN 0.726 8.876 8.150 -0.000 0.000 0.428 195 H N -0.268 118.842 119.070 0.066 0.000 2.607 195 H HA 0.156 4.721 4.556 0.014 0.000 0.367 195 H C 0.869 176.385 175.328 0.313 0.000 1.181 195 H CA 0.917 57.054 56.048 0.149 0.000 1.402 195 H CB 0.620 30.424 29.762 0.070 0.000 1.474 195 H HN 0.796 9.076 8.280 -0.000 0.000 0.596 196 Y N 3.120 123.618 120.300 0.331 0.000 2.096 196 Y HA -0.392 4.165 4.550 0.011 0.000 0.278 196 Y C 2.462 178.496 175.900 0.222 0.000 1.192 196 Y CA 2.614 60.887 58.100 0.289 0.000 1.143 196 Y CB -0.032 38.538 38.460 0.184 0.000 0.963 196 Y HN 0.678 8.958 8.280 -0.000 0.000 0.505 197 K N -0.493 119.943 120.400 0.060 0.000 2.152 197 K HA -0.205 4.123 4.320 0.014 0.000 0.206 197 K C 1.516 178.001 176.600 -0.193 0.000 1.048 197 K CA 2.009 58.215 56.287 -0.136 0.000 0.933 197 K CB -0.440 32.057 32.500 -0.005 0.000 0.721 197 K HN 0.306 8.556 8.250 -0.000 0.000 0.447 198 D N 0.254 120.577 120.400 -0.128 0.000 2.178 198 D HA -0.097 4.551 4.640 0.014 0.000 0.202 198 D C 1.690 177.720 176.300 -0.451 0.000 0.974 198 D CA 1.001 54.840 54.000 -0.268 0.000 0.841 198 D CB -0.179 40.451 40.800 -0.282 0.000 0.953 198 D HN 0.259 8.629 8.370 -0.000 0.000 0.478 199 F N 0.757 120.424 119.950 -0.470 0.000 2.163 199 F HA -0.124 4.414 4.527 0.018 0.000 0.297 199 F C 2.556 177.865 175.800 -0.819 0.000 1.094 199 F CA 0.436 57.975 58.000 -0.768 0.000 1.290 199 F CB -0.685 37.561 39.000 -1.257 0.000 1.017 199 F HN -0.194 8.106 8.300 -0.000 0.000 0.483 200 V N 0.154 119.713 119.914 -0.591 0.000 2.295 200 V HA -0.281 3.848 4.120 0.014 0.000 0.246 200 V C 1.964 177.865 176.094 -0.322 0.000 1.049 200 V CA 2.095 64.120 62.300 -0.459 0.000 1.024 200 V CB -0.622 30.927 31.823 -0.458 0.000 0.648 200 V HN 0.344 8.534 8.190 -0.000 0.000 0.447 201 E N -0.077 119.947 120.200 -0.292 0.000 2.427 201 E HA 0.119 4.477 4.350 0.014 0.000 0.196 201 E C 1.514 177.964 176.600 -0.249 0.000 1.028 201 E CA 0.578 56.840 56.400 -0.229 0.000 0.864 201 E CB -0.068 29.522 29.700 -0.182 0.000 0.813 201 E HN 0.680 9.040 8.360 -0.000 0.000 0.514 202 G N 1.116 109.724 108.800 -0.320 0.000 2.225 202 G HA2 -0.334 3.634 3.960 0.014 0.000 0.264 202 G HA3 -0.334 3.634 3.960 0.014 0.000 0.264 202 G C 0.371 175.084 174.900 -0.311 0.000 1.060 202 G CA 0.460 45.352 45.100 -0.347 0.000 0.833 202 G HN 0.365 8.655 8.290 -0.000 0.000 0.498 203 K N 0.123 120.339 120.400 -0.307 0.000 2.751 203 K HA 0.714 5.043 4.320 0.014 0.000 0.252 203 K C 1.325 177.769 176.600 -0.260 0.000 1.277 203 K CA 0.941 57.082 56.287 -0.244 0.000 1.226 203 K CB 0.073 32.446 32.500 -0.212 0.000 1.658 203 K HN 1.526 9.776 8.250 -0.000 0.000 0.303 204 G N 0.035 108.689 108.800 -0.243 0.000 2.494 204 G HA2 0.450 4.418 3.960 0.014 0.000 0.270 204 G HA3 0.450 4.418 3.960 0.014 0.000 0.270 204 G C 1.006 175.822 174.900 -0.139 0.000 1.423 204 G CA 0.116 45.102 45.100 -0.192 0.000 1.055 204 G HN 0.788 9.078 8.290 -0.000 0.000 0.536 205 I N -3.666 116.806 120.570 -0.164 0.000 3.790 205 I HA 0.433 4.612 4.170 0.014 0.000 0.305 205 I C 0.059 176.017 176.117 -0.265 0.000 1.253 205 I CA -0.382 60.752 61.300 -0.276 0.000 1.355 205 I CB 0.086 37.809 38.000 -0.461 0.000 1.137 205 I HN 0.041 8.251 8.210 -0.000 0.000 0.435 206 F N 2.745 122.764 119.950 0.115 0.000 2.410 206 F HA 0.198 4.732 4.527 0.012 0.000 0.334 206 F C 1.335 177.311 175.800 0.294 0.000 1.134 206 F CA -0.022 58.102 58.000 0.208 0.000 1.227 206 F CB 0.252 39.458 39.000 0.343 0.000 1.194 206 F HN -0.079 8.221 8.300 -0.000 0.000 0.571 207 D N -0.355 120.295 120.400 0.417 0.000 2.271 207 D HA 0.021 4.669 4.640 0.014 0.000 0.206 207 D C 0.361 176.813 176.300 0.252 0.000 0.967 207 D CA 0.851 55.031 54.000 0.300 0.000 0.867 207 D CB 0.275 41.192 40.800 0.194 0.000 0.960 207 D HN 0.432 8.802 8.370 -0.000 0.000 0.509 208 S N -1.509 114.244 115.700 0.089 0.000 2.625 208 S HA 0.270 4.748 4.470 0.014 0.000 0.271 208 S C 0.584 174.701 174.600 -0.806 0.000 1.161 208 S CA -0.832 57.110 58.200 -0.430 0.000 0.820 208 S CB 2.454 65.541 63.200 -0.188 0.000 1.137 208 S HN -0.101 8.209 8.310 -0.000 0.000 0.470 209 E N 0.349 119.720 120.200 -1.382 0.000 2.150 209 E HA -0.176 4.182 4.350 0.014 0.000 0.193 209 E C 0.684 177.149 176.600 -0.225 0.000 0.985 209 E CA 1.589 57.390 56.400 -0.999 0.000 0.814 209 E CB -0.151 28.942 29.700 -1.011 0.000 0.752 209 E HN 0.648 9.008 8.360 -0.000 0.000 0.466 210 D N 0.491 120.774 120.400 -0.194 0.000 2.117 210 D HA -0.185 4.463 4.640 0.014 0.000 0.197 210 D C 1.728 178.033 176.300 0.008 0.000 0.987 210 D CA 0.923 54.900 54.000 -0.039 0.000 0.829 210 D CB -0.164 40.626 40.800 -0.017 0.000 0.961 210 D HN 0.351 8.721 8.370 -0.000 0.000 0.460 211 E N -0.343 119.875 120.200 0.030 0.000 2.072 211 E HA -0.165 4.193 4.350 0.014 0.000 0.191 211 E C 2.045 178.581 176.600 -0.106 0.000 0.985 211 E CA 0.392 56.867 56.400 0.126 0.000 0.801 211 E CB -0.132 29.746 29.700 0.297 0.000 0.750 211 E HN 0.199 8.559 8.360 -0.000 0.000 0.452 212 F N 1.479 121.149 119.950 -0.466 0.000 2.069 212 F HA -0.232 4.301 4.527 0.010 0.000 0.298 212 F C 1.872 177.465 175.800 -0.345 0.000 1.113 212 F CA 1.547 58.951 58.000 -0.993 0.000 1.214 212 F CB -0.490 38.196 39.000 -0.524 0.000 0.978 212 F HN -0.020 8.280 8.300 -0.000 0.000 0.474 213 L N 0.168 121.142 121.223 -0.415 0.000 2.012 213 L HA -0.232 4.116 4.340 0.014 0.000 0.210 213 L C 2.302 179.048 176.870 -0.207 0.000 1.073 213 L CA 1.929 56.546 54.840 -0.371 0.000 0.748 213 L CB -0.915 41.119 42.059 -0.041 0.000 0.891 213 L HN 0.209 8.439 8.230 -0.000 0.000 0.431 214 D N -1.012 119.341 120.400 -0.079 0.000 2.117 214 D HA -0.267 4.381 4.640 0.014 0.000 0.197 214 D C 2.038 178.331 176.300 -0.012 0.000 0.987 214 D CA 1.160 55.191 54.000 0.052 0.000 0.829 214 D CB -0.060 40.872 40.800 0.219 0.000 0.961 214 D HN 0.284 8.654 8.370 -0.000 0.000 0.460 215 Y N -0.649 119.400 120.300 -0.418 0.000 2.114 215 Y HA -0.163 4.395 4.550 0.012 0.000 0.284 215 Y C 1.725 177.321 175.900 -0.507 0.000 1.143 215 Y CA 1.813 59.510 58.100 -0.671 0.000 1.135 215 Y CB -0.565 37.379 38.460 -0.860 0.000 0.980 215 Y HN 0.081 8.361 8.280 -0.000 0.000 0.499 216 W N 0.198 121.391 121.300 -0.178 0.000 2.595 216 W HA 0.030 4.703 4.660 0.022 0.000 0.257 216 W C 2.277 178.658 176.519 -0.231 0.000 1.267 216 W CA 0.665 57.841 57.345 -0.282 0.000 1.300 216 W CB -0.064 29.134 29.460 -0.438 0.000 1.120 216 W HN -0.120 8.060 8.180 -0.000 0.000 0.618 217 R N -0.016 120.464 120.500 -0.032 0.000 2.236 217 R HA 0.012 4.360 4.340 0.014 0.000 0.208 217 R C 0.907 177.210 176.300 0.005 0.000 1.036 217 R CA 0.752 56.849 56.100 -0.006 0.000 1.001 217 R CB -0.167 30.127 30.300 -0.010 0.000 0.896 217 R HN 0.202 8.472 8.270 -0.000 0.000 0.464 218 N N -0.588 118.091 118.700 -0.035 0.000 2.197 218 N HA -0.030 4.718 4.740 0.014 0.000 0.228 218 N C -0.982 174.311 175.510 -0.362 0.000 1.212 218 N CA -0.103 52.892 53.050 -0.092 0.000 0.883 218 N CB 0.748 39.259 38.487 0.040 0.000 1.107 218 N HN 0.090 8.470 8.380 -0.000 0.000 0.519 219 Y N 2.891 122.853 120.300 -0.564 0.000 2.402 219 Y HA 0.050 4.608 4.550 0.014 0.000 0.333 219 Y C 0.497 176.068 175.900 -0.549 0.000 1.076 219 Y CA -0.068 57.522 58.100 -0.849 0.000 1.299 219 Y CB 0.471 38.355 38.460 -0.960 0.000 1.197 219 Y HN -0.082 8.198 8.280 -0.000 0.000 0.517 220 E N 5.514 125.232 120.200 -0.802 0.000 2.373 220 E HA 0.103 4.461 4.350 0.014 0.000 0.263 220 E C 0.720 177.105 176.600 -0.358 0.000 1.073 220 E CA -0.213 55.904 56.400 -0.472 0.000 0.894 220 E CB 0.834 30.250 29.700 -0.473 0.000 1.008 220 E HN 0.815 9.175 8.360 -0.000 0.000 0.420 221 R N 0.152 120.618 120.500 -0.057 0.000 2.189 221 R HA -0.033 4.315 4.340 0.014 0.000 0.223 221 R C 0.982 177.299 176.300 0.029 0.000 1.092 221 R CA 1.046 57.213 56.100 0.111 0.000 0.989 221 R CB -0.088 30.284 30.300 0.120 0.000 0.876 221 R HN 0.584 8.854 8.270 -0.000 0.000 0.457 222 T N -5.516 108.983 114.554 -0.091 0.000 2.906 222 T HA 0.484 4.842 4.350 0.014 0.000 0.295 222 T C 1.089 175.705 174.700 -0.139 0.000 1.075 222 T CA -0.314 61.743 62.100 -0.072 0.000 1.005 222 T CB 1.802 70.643 68.868 -0.045 0.000 1.136 222 T HN 0.011 8.251 8.240 -0.000 0.000 0.498 223 S N 0.215 115.861 115.700 -0.088 0.000 2.383 223 S HA -0.005 4.473 4.470 0.014 0.000 0.229 223 S C 2.356 176.891 174.600 -0.109 0.000 1.030 223 S CA 2.489 60.632 58.200 -0.096 0.000 1.002 223 S CB -1.451 61.724 63.200 -0.042 0.000 0.829 223 S HN 1.188 9.498 8.310 -0.000 0.000 0.467 224 Q N 0.856 120.604 119.800 -0.087 0.000 1.985 224 Q HA -0.026 4.322 4.340 0.014 0.000 0.207 224 Q C 2.314 178.247 176.000 -0.112 0.000 0.996 224 Q CA 1.785 57.540 55.803 -0.080 0.000 0.851 224 Q CB -1.212 27.490 28.738 -0.060 0.000 0.921 224 Q HN 0.760 9.030 8.270 -0.000 0.000 0.418 225 L N -0.276 120.862 121.223 -0.141 0.000 2.046 225 L HA -0.179 4.169 4.340 0.014 0.000 0.208 225 L C 2.951 179.663 176.870 -0.263 0.000 1.077 225 L CA 1.626 56.356 54.840 -0.182 0.000 0.747 225 L CB -0.405 41.538 42.059 -0.193 0.000 0.896 225 L HN 0.401 8.631 8.230 -0.000 0.000 0.432 226 R N 0.144 120.443 120.500 -0.335 0.000 2.152 226 R HA -0.160 4.188 4.340 0.014 0.000 0.232 226 R C 2.368 178.507 176.300 -0.268 0.000 1.117 226 R CA 1.359 57.199 56.100 -0.432 0.000 0.981 226 R CB -1.043 28.954 30.300 -0.504 0.000 0.870 226 R HN 0.618 8.888 8.270 -0.000 0.000 0.451 227 N N 1.260 119.855 118.700 -0.175 0.000 2.205 227 N HA -0.196 4.552 4.740 0.014 0.000 0.186 227 N C 1.417 176.877 175.510 -0.083 0.000 1.015 227 N CA 1.834 54.823 53.050 -0.103 0.000 0.862 227 N CB -0.867 37.577 38.487 -0.073 0.000 0.986 227 N HN 0.598 8.978 8.380 -0.000 0.000 0.429 228 D N -1.409 118.930 120.400 -0.103 0.000 2.424 228 D HA 0.366 5.014 4.640 0.014 0.000 0.220 228 D C 1.114 177.373 176.300 -0.068 0.000 1.150 228 D CA 0.527 54.490 54.000 -0.061 0.000 0.831 228 D CB -0.084 40.689 40.800 -0.045 0.000 0.981 228 D HN 0.668 9.038 8.370 -0.000 0.000 0.500 229 K N -1.275 119.029 120.400 -0.160 0.000 2.788 229 K HA 0.396 4.724 4.320 0.014 0.000 0.247 229 K C -1.207 175.271 176.600 -0.203 0.000 1.667 229 K CA -0.063 56.066 56.287 -0.263 0.000 0.923 229 K CB 1.235 33.401 32.500 -0.557 0.000 2.066 229 K HN 0.371 8.621 8.250 -0.000 0.000 0.357 230 Y N -2.446 117.625 120.300 -0.382 0.000 2.480 230 Y HA 0.442 5.000 4.550 0.013 0.000 0.329 230 Y C -0.614 175.129 175.900 -0.262 0.000 1.127 230 Y CA -0.312 57.634 58.100 -0.256 0.000 1.037 230 Y CB 0.563 38.891 38.460 -0.219 0.000 1.320 230 Y HN 0.279 8.559 8.280 -0.000 0.000 0.446 231 N N 1.680 120.413 118.700 0.056 0.000 2.197 231 N HA 0.328 5.076 4.740 0.014 0.000 0.201 231 N C -0.352 175.314 175.510 0.259 0.000 1.148 231 N CA 0.685 53.760 53.050 0.041 0.000 0.883 231 N CB 0.045 38.530 38.487 -0.003 0.000 1.012 231 N HN 0.876 9.256 8.380 -0.000 0.000 0.507 232 N N -2.183 116.718 118.700 0.336 0.000 3.039 232 N HA 0.364 5.113 4.740 0.014 0.000 0.257 232 N C 0.103 175.814 175.510 0.336 0.000 1.497 232 N CA -0.643 52.587 53.050 0.301 0.000 0.861 232 N CB 0.351 38.926 38.487 0.147 0.000 1.479 232 N HN -0.125 8.255 8.380 -0.000 0.000 0.547 233 I N 0.285 120.913 120.570 0.097 0.000 2.179 233 I HA -0.152 4.026 4.170 0.014 0.000 0.242 233 I C 1.614 177.821 176.117 0.150 0.000 1.088 233 I CA 1.742 63.064 61.300 0.037 0.000 1.357 233 I CB -0.597 37.251 38.000 -0.253 0.000 1.051 233 I HN 0.644 8.854 8.210 -0.000 0.000 0.409 234 S N 0.217 115.970 115.700 0.089 0.000 2.370 234 S HA -0.218 4.260 4.470 0.014 0.000 0.226 234 S C 1.865 176.531 174.600 0.109 0.000 1.033 234 S CA 1.647 59.894 58.200 0.079 0.000 1.011 234 S CB -0.433 62.793 63.200 0.044 0.000 0.852 234 S HN 0.563 8.873 8.310 -0.000 0.000 0.457 235 E N -0.268 120.019 120.200 0.146 0.000 2.106 235 E HA -0.162 4.196 4.350 0.014 0.000 0.192 235 E C 1.856 178.568 176.600 0.187 0.000 0.984 235 E CA 1.090 57.591 56.400 0.167 0.000 0.806 235 E CB -0.230 29.583 29.700 0.188 0.000 0.750 235 E HN 0.693 9.053 8.360 -0.000 0.000 0.458 236 Y N 1.842 122.135 120.300 -0.012 0.000 2.181 236 Y HA -0.178 4.381 4.550 0.015 0.000 0.288 236 Y C 2.067 177.984 175.900 0.029 0.000 1.146 236 Y CA 1.569 59.475 58.100 -0.325 0.000 1.164 236 Y CB 0.005 38.157 38.460 -0.513 0.000 0.982 236 Y HN -0.188 8.092 8.280 -0.000 0.000 0.515 237 R N 0.002 120.509 120.500 0.011 0.000 2.120 237 R HA -0.165 4.183 4.340 0.014 0.000 0.234 237 R C 2.046 178.343 176.300 -0.005 0.000 1.123 237 R CA 1.338 57.413 56.100 -0.041 0.000 0.975 237 R CB -0.456 29.898 30.300 0.090 0.000 0.866 237 R HN 0.377 8.647 8.270 -0.000 0.000 0.446 238 N N 0.277 119.007 118.700 0.049 0.000 2.171 238 N HA -0.200 4.548 4.740 0.014 0.000 0.184 238 N C 1.392 176.981 175.510 0.131 0.000 1.021 238 N CA 1.062 54.160 53.050 0.080 0.000 0.854 238 N CB -0.252 38.282 38.487 0.077 0.000 0.994 238 N HN 0.264 8.644 8.380 -0.000 0.000 0.426 239 W N 0.896 122.146 121.300 -0.082 0.000 2.338 239 W HA -0.058 4.611 4.660 0.016 0.000 0.304 239 W C 1.750 178.184 176.519 -0.143 0.000 1.212 239 W CA 1.075 58.373 57.345 -0.079 0.000 1.264 239 W CB -0.234 29.200 29.460 -0.043 0.000 1.142 239 W HN 0.034 8.214 8.180 -0.000 0.000 0.512 240 I N -0.349 120.102 120.570 -0.197 0.000 2.202 240 I HA -0.296 3.882 4.170 0.014 0.000 0.242 240 I C 2.221 178.209 176.117 -0.215 0.000 1.091 240 I CA 1.557 62.647 61.300 -0.350 0.000 1.368 240 I CB -1.843 35.929 38.000 -0.381 0.000 1.058 240 I HN 0.068 8.278 8.210 -0.000 0.000 0.410 241 Y N 2.258 122.445 120.300 -0.187 0.000 2.151 241 Y HA -0.251 4.307 4.550 0.013 0.000 0.284 241 Y C 2.752 178.568 175.900 -0.139 0.000 1.166 241 Y CA 1.847 59.870 58.100 -0.128 0.000 1.163 241 Y CB -0.181 38.233 38.460 -0.077 0.000 0.974 241 Y HN 0.080 8.360 8.280 -0.000 0.000 0.511 242 R N -0.719 119.777 120.500 -0.007 0.000 2.235 242 R HA 0.066 4.415 4.340 0.014 0.000 0.213 242 R C 1.151 177.326 176.300 -0.208 0.000 1.059 242 R CA 0.878 56.933 56.100 -0.075 0.000 0.997 242 R CB -0.212 30.072 30.300 -0.028 0.000 0.884 242 R HN 0.531 8.801 8.270 -0.000 0.000 0.462 243 G N 1.071 109.679 108.800 -0.320 0.000 2.155 243 G HA2 -0.234 3.734 3.960 0.014 0.000 0.135 243 G HA3 -0.234 3.734 3.960 0.014 0.000 0.135 243 G C -0.229 174.366 174.900 -0.507 0.000 1.023 243 G CA -0.320 44.573 45.100 -0.345 0.000 0.688 243 G HN 0.276 8.566 8.290 -0.000 0.000 0.499 244 R N -2.079 117.885 120.500 -0.894 0.000 3.332 244 R HA -0.050 4.298 4.340 0.014 0.000 0.263 244 R C 0.539 176.264 176.300 -0.959 0.000 1.053 244 R CA 2.015 57.112 56.100 -1.672 0.000 0.705 244 R CB -2.467 27.144 30.300 -1.149 0.000 1.166 244 R HN 1.818 10.088 8.270 -0.000 0.000 0.427 245 K N 0.000 120.010 120.400 -0.650 0.000 2.780 245 K HA 0.000 4.328 4.320 0.014 0.000 0.191 245 K CA 0.000 56.219 56.287 -0.113 0.000 0.838 245 K CB 0.000 32.436 32.500 -0.107 0.000 1.064 245 K HN 0.000 8.250 8.250 -0.000 0.000 0.543