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 2jtn_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSQVPDVMVV GEPTLMGGEF GDEDERLITR LENTQFDAAN GIDDEGGSGG DATA SEQUENCE HMGSGGTPEI PMCAGCDQHI LDRFILKALD RHWHSKCLKC SDCHVPLAER DATA SEQUENCE CFSRGESVYC KDDFFKRFGT KCAACQLGIP PTQVVRRAQD FVYHLHCFAC DATA SEQUENCE VVCKRQLATG DEFYLMEDSR LVCKADYETA KQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.467 4.470 -0.004 0.000 0.327 1 S C 0.000 174.597 174.600 -0.005 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 2 S N 4.944 120.641 115.700 -0.005 0.000 2.921 2 S HA 0.156 4.622 4.470 -0.006 0.000 0.244 2 S C -0.827 173.768 174.600 -0.008 0.000 1.291 2 S CA -0.505 57.691 58.200 -0.006 0.000 1.010 2 S CB -0.192 63.004 63.200 -0.005 0.000 1.255 2 S HN 0.077 8.384 8.310 -0.005 0.000 0.492 3 Q N 5.253 125.048 119.800 -0.008 0.000 2.372 3 Q HA 0.266 4.600 4.340 -0.011 0.000 0.259 3 Q C -0.186 175.808 176.000 -0.011 0.000 0.993 3 Q CA -0.820 54.977 55.803 -0.010 0.000 0.854 3 Q CB 0.488 29.221 28.738 -0.009 0.000 1.231 3 Q HN 0.005 8.271 8.270 -0.007 0.000 0.462 4 V N 3.504 123.410 119.914 -0.014 0.000 2.999 4 V HA 0.098 4.212 4.120 -0.011 0.000 0.307 4 V C -0.516 175.571 176.094 -0.012 0.000 1.084 4 V CA -2.169 60.123 62.300 -0.013 0.000 1.155 4 V CB -1.226 30.586 31.823 -0.019 0.000 0.975 4 V HN 0.183 8.364 8.190 -0.015 0.000 0.490 5 P HA 0.059 4.472 4.420 -0.012 0.000 0.302 5 P C -0.823 176.486 177.300 0.014 0.000 1.301 5 P CA -1.049 62.046 63.100 -0.009 0.000 0.745 5 P CB 0.805 32.479 31.700 -0.043 0.000 1.331 6 D N 0.109 120.523 120.400 0.025 0.000 2.479 6 D HA -0.130 4.519 4.640 0.015 0.000 0.253 6 D C -0.946 175.433 176.300 0.132 0.000 1.278 6 D CA 1.181 55.210 54.000 0.049 0.000 1.145 6 D CB -1.783 39.050 40.800 0.056 0.000 1.118 6 D HN 0.074 8.446 8.370 0.004 0.000 0.513 7 V N 0.959 120.871 119.914 -0.002 0.000 2.960 7 V HA 0.232 4.056 4.120 -0.495 0.000 0.315 7 V C -1.803 174.070 176.094 -0.369 0.000 1.087 7 V CA -1.992 60.119 62.300 -0.314 0.000 0.982 7 V CB 2.994 34.586 31.823 -0.385 0.000 1.039 7 V HN 0.026 8.171 8.190 -0.034 0.024 0.437 8 M N 4.973 124.225 119.600 -0.581 0.000 2.846 8 M HA 0.400 4.713 4.480 -0.280 0.000 0.282 8 M C -2.223 173.832 176.300 -0.408 0.000 1.266 8 M CA -1.162 53.870 55.300 -0.447 0.000 0.766 8 M CB 3.033 35.320 32.600 -0.521 0.000 1.739 8 M HN 0.198 7.947 8.290 -0.902 0.000 0.442 9 V N -0.510 119.299 119.914 -0.174 0.000 2.924 9 V HA 0.246 4.597 4.120 0.187 -0.119 0.300 9 V C -1.961 174.332 176.094 0.332 0.000 1.227 9 V CA -1.515 60.841 62.300 0.094 0.000 0.954 9 V CB 3.671 35.511 31.823 0.028 0.000 1.055 9 V HN 0.024 8.134 8.190 -0.134 0.000 0.429 10 V N 5.692 125.911 119.914 0.509 0.000 2.901 10 V HA -0.114 4.267 4.120 0.435 0.000 0.307 10 V C -0.238 175.943 176.094 0.146 0.000 1.084 10 V CA 1.042 63.528 62.300 0.311 0.000 1.184 10 V CB 0.276 32.148 31.823 0.082 0.000 0.941 10 V HN 0.902 9.320 8.190 0.546 0.100 0.493 11 G N 4.185 113.040 108.800 0.093 0.000 3.247 11 G HA2 0.149 4.135 3.960 0.043 0.000 0.226 11 G HA3 0.149 4.138 3.960 0.049 0.000 0.226 11 G C -2.261 172.646 174.900 0.012 0.000 1.220 11 G CA -0.957 44.172 45.100 0.047 0.000 0.875 11 G HN -0.015 8.330 8.290 0.092 0.000 0.606 12 E N 1.972 122.176 120.200 0.006 0.000 2.299 12 E HA 0.061 4.404 4.350 -0.011 0.000 0.272 12 E C -1.068 175.521 176.600 -0.018 0.000 1.043 12 E CA -1.382 55.014 56.400 -0.007 0.000 0.895 12 E CB -0.003 29.695 29.700 -0.003 0.000 1.011 12 E HN 0.002 8.370 8.360 0.013 0.000 0.432 13 P HA -0.145 4.304 4.420 -0.067 -0.069 0.268 13 P C -1.433 175.850 177.300 -0.029 0.000 1.205 13 P CA 0.094 63.164 63.100 -0.049 0.000 0.771 13 P CB 0.636 32.299 31.700 -0.060 0.000 0.858 14 T N 0.926 115.463 114.554 -0.028 0.000 2.827 14 T HA 0.128 4.469 4.350 -0.015 0.000 0.328 14 T C -2.424 172.269 174.700 -0.013 0.000 1.598 14 T CA -0.843 61.247 62.100 -0.016 0.000 1.043 14 T CB 1.420 70.283 68.868 -0.009 0.000 1.447 14 T HN 0.662 8.789 8.240 -0.037 0.091 0.491 15 L N 1.771 122.988 121.223 -0.009 0.000 2.257 15 L HA 0.382 4.721 4.340 -0.003 0.000 0.257 15 L C 0.838 177.707 176.870 -0.002 0.000 1.033 15 L CA -1.698 53.139 54.840 -0.005 0.000 0.835 15 L CB 3.538 45.592 42.059 -0.008 0.000 1.398 15 L HN 0.354 8.579 8.230 -0.009 0.000 0.429 16 M N -1.679 117.922 119.600 0.002 0.000 2.159 16 M HA -0.108 4.374 4.480 0.004 0.000 0.263 16 M C 0.969 177.267 176.300 -0.004 0.000 1.063 16 M CA 1.332 56.635 55.300 0.004 0.000 1.110 16 M CB -0.244 32.365 32.600 0.016 0.000 1.374 16 M HN 0.323 8.616 8.290 0.005 0.000 0.411 17 G N 1.064 109.859 108.800 -0.009 0.000 2.387 17 G HA2 -0.287 3.758 3.960 -0.021 0.000 0.270 17 G HA3 -0.287 3.664 3.960 -0.014 0.000 0.270 17 G C -0.982 173.906 174.900 -0.021 0.000 0.957 17 G CA 0.227 45.318 45.100 -0.016 0.000 1.352 17 G HN -0.177 8.096 8.290 -0.007 0.012 0.457 18 G N 1.544 110.327 108.800 -0.029 0.000 2.803 18 G HA2 0.087 4.027 3.960 -0.033 0.000 0.212 18 G HA3 0.087 4.033 3.960 -0.023 0.000 0.212 18 G C -0.984 173.883 174.900 -0.054 0.000 1.407 18 G CA 0.281 45.362 45.100 -0.033 0.000 0.624 18 G HN -0.636 7.634 8.290 -0.034 0.000 1.024 19 E N -0.614 119.530 120.200 -0.093 0.000 2.791 19 E HA -0.324 3.777 4.350 -0.416 0.000 0.271 19 E C -1.154 175.354 176.600 -0.153 0.000 1.044 19 E CA 0.098 56.351 56.400 -0.245 0.000 0.814 19 E CB -0.325 29.253 29.700 -0.203 0.000 1.400 19 E HN 0.142 8.461 8.360 -0.068 0.000 0.423 20 F N -4.513 115.337 119.950 -0.167 0.000 2.178 20 F HA -0.394 4.175 4.527 0.070 0.000 0.317 20 F C -1.608 174.198 175.800 0.010 0.000 0.129 20 F CA 1.420 59.425 58.000 0.008 0.000 0.909 20 F CB 0.133 39.256 39.000 0.206 0.000 4.119 20 F HN -0.476 7.846 8.300 0.080 0.026 0.149 21 G N -1.256 107.663 108.800 0.198 0.000 2.741 21 G HA2 0.190 4.209 3.960 0.097 0.000 0.293 21 G HA3 0.190 4.150 3.960 0.000 0.000 0.293 21 G C -1.501 173.513 174.900 0.190 0.000 1.457 21 G CA -0.296 44.871 45.100 0.111 0.000 1.098 21 G HN -0.152 8.333 8.290 0.324 0.000 0.536 22 D N 3.800 124.287 120.400 0.145 0.000 2.182 22 D HA -0.356 4.378 4.640 0.156 0.000 0.201 22 D C 0.923 177.251 176.300 0.048 0.000 0.986 22 D CA 2.678 56.745 54.000 0.111 0.000 0.847 22 D CB 0.008 40.853 40.800 0.075 0.000 0.942 22 D HN 0.346 8.785 8.370 0.116 0.000 0.467 23 E N -3.995 116.222 120.200 0.027 0.000 2.150 23 E HA -0.258 4.086 4.350 -0.010 0.000 0.193 23 E C 1.042 177.631 176.600 -0.019 0.000 0.985 23 E CA 1.655 58.053 56.400 -0.004 0.000 0.814 23 E CB -0.301 29.393 29.700 -0.009 0.000 0.752 23 E HN 0.114 8.471 8.360 0.034 0.023 0.466 24 D N -0.610 119.786 120.400 -0.007 0.000 2.106 24 D HA -0.131 4.484 4.640 -0.041 0.000 0.194 24 D C 0.581 176.851 176.300 -0.051 0.000 0.988 24 D CA 1.923 55.908 54.000 -0.024 0.000 0.845 24 D CB 0.276 41.051 40.800 -0.041 0.000 0.990 24 D HN -0.496 7.745 8.370 0.017 0.139 0.448 25 E N 0.083 120.241 120.200 -0.070 0.000 2.373 25 E HA -0.061 4.085 4.350 -0.339 0.000 0.263 25 E C -0.419 176.006 176.600 -0.293 0.000 1.073 25 E CA -0.637 55.547 56.400 -0.361 0.000 0.894 25 E CB 1.007 30.071 29.700 -1.061 0.000 1.008 25 E HN -0.544 7.860 8.360 0.074 0.000 0.420 26 R N 3.543 123.853 120.500 -0.318 0.000 2.309 26 R HA -0.161 4.093 4.340 -0.142 0.000 0.331 26 R C -1.104 175.066 176.300 -0.215 0.000 1.116 26 R CA 0.009 55.985 56.100 -0.206 0.000 0.970 26 R CB -0.924 29.279 30.300 -0.160 0.000 1.024 26 R HN 0.340 8.382 8.270 -0.380 0.000 0.472 27 L N 4.355 125.493 121.223 -0.143 0.000 2.476 27 L HA -0.007 4.249 4.340 -0.140 0.000 0.255 27 L C 0.659 177.480 176.870 -0.081 0.000 1.218 27 L CA -0.523 54.252 54.840 -0.107 0.000 0.819 27 L CB 1.739 43.769 42.059 -0.049 0.000 1.119 27 L HN -0.414 7.749 8.230 -0.110 0.000 0.485 28 I N -5.058 115.474 120.570 -0.062 0.000 2.710 28 I HA -0.208 3.941 4.170 -0.035 0.000 0.286 28 I C -0.255 175.852 176.117 -0.017 0.000 1.181 28 I CA 0.794 62.075 61.300 -0.032 0.000 1.430 28 I CB 0.087 38.080 38.000 -0.012 0.000 1.367 28 I HN -0.041 8.133 8.210 -0.060 0.000 0.577 29 T N 8.491 123.040 114.554 -0.008 0.000 2.781 29 T HA 0.174 4.506 4.350 -0.030 0.000 0.305 29 T C -1.136 173.531 174.700 -0.054 0.000 1.001 29 T CA -0.583 61.502 62.100 -0.025 0.000 0.950 29 T CB 0.643 69.499 68.868 -0.020 0.000 0.955 29 T HN 0.417 8.536 8.240 0.011 0.128 0.471 30 R N 8.450 128.900 120.500 -0.082 0.000 2.272 30 R HA 0.124 4.493 4.340 -0.181 -0.137 0.334 30 R C -0.778 175.316 176.300 -0.343 0.000 1.117 30 R CA 0.257 56.245 56.100 -0.186 0.000 0.966 30 R CB -0.613 29.625 30.300 -0.103 0.000 1.049 30 R HN 0.568 8.805 8.270 -0.055 0.000 0.477 31 L N 1.458 122.429 121.223 -0.421 0.000 2.415 31 L HA 0.570 4.639 4.340 -0.452 0.000 0.256 31 L C -1.340 175.260 176.870 -0.450 0.000 1.010 31 L CA -2.144 52.453 54.840 -0.406 0.000 0.826 31 L CB 3.445 45.396 42.059 -0.181 0.000 1.405 31 L HN 0.390 8.415 8.230 -0.342 0.000 0.410 32 E N 1.012 121.037 120.200 -0.291 0.000 2.217 32 E HA -0.103 4.367 4.350 -0.028 -0.137 0.279 32 E C -0.587 176.003 176.600 -0.017 0.000 1.068 32 E CA 0.238 56.599 56.400 -0.066 0.000 0.882 32 E CB 0.209 29.958 29.700 0.082 0.000 1.039 32 E HN 0.210 8.436 8.360 -0.223 0.000 0.418 33 N N 6.088 124.802 118.700 0.023 0.000 2.371 33 N HA -0.010 4.719 4.740 -0.018 0.000 0.243 33 N C 0.060 175.600 175.510 0.050 0.000 1.287 33 N CA 0.839 53.898 53.050 0.016 0.000 0.911 33 N CB 0.885 39.376 38.487 0.007 0.000 1.142 33 N HN 0.719 9.033 8.380 0.057 0.100 0.451 34 T N 0.435 115.003 114.554 0.023 0.000 3.258 34 T HA 0.201 4.592 4.350 0.069 0.000 0.263 34 T C -0.470 174.261 174.700 0.051 0.000 0.983 34 T CA -0.184 61.941 62.100 0.042 0.000 0.907 34 T CB -0.596 68.279 68.868 0.012 0.000 1.096 34 T HN 0.067 8.300 8.240 -0.011 0.000 0.556 35 Q N 0.310 120.147 119.800 0.063 0.000 2.286 35 Q HA 0.057 4.401 4.340 0.007 0.000 0.281 35 Q C -1.390 174.653 176.000 0.072 0.000 0.897 35 Q CA -0.579 55.243 55.803 0.031 0.000 1.023 35 Q CB -0.093 28.627 28.738 -0.029 0.000 1.151 35 Q HN 0.035 8.266 8.270 0.078 0.085 0.445 36 F N 0.029 119.979 119.950 0.000 0.000 2.798 36 F HA -0.024 4.515 4.527 0.020 0.000 0.291 36 F C -0.855 174.950 175.800 0.008 0.000 1.174 36 F CA 0.212 58.220 58.000 0.013 0.000 1.392 36 F CB -0.077 38.935 39.000 0.020 0.000 0.966 36 F HN -0.043 8.318 8.300 0.249 0.088 0.509 37 D N -0.585 119.856 120.400 0.068 0.000 3.244 37 D HA 0.067 4.724 4.640 0.029 0.000 0.292 37 D C -1.711 174.589 176.300 0.000 0.000 1.652 37 D CA -0.030 53.997 54.000 0.044 0.000 0.803 37 D CB 0.136 40.983 40.800 0.079 0.000 1.390 37 D HN -0.114 8.178 8.370 0.036 0.100 0.528 38 A N 0.242 123.045 122.820 -0.028 0.000 2.371 38 A HA 0.361 4.659 4.320 -0.035 0.000 0.311 38 A C -1.699 175.866 177.584 -0.032 0.000 1.068 38 A CA -0.621 51.392 52.037 -0.041 0.000 0.744 38 A CB 1.934 20.894 19.000 -0.066 0.000 1.239 38 A HN -0.336 7.787 8.150 -0.045 0.000 0.435 39 A N 1.078 123.884 122.820 -0.023 0.000 6.641 39 A HA -0.316 4.009 4.320 0.009 0.000 0.244 39 A C -0.691 176.895 177.584 0.003 0.000 2.164 39 A CA 0.132 52.176 52.037 0.011 0.000 0.704 39 A CB -0.505 18.546 19.000 0.086 0.000 0.982 39 A HN 0.172 8.302 8.150 -0.033 0.000 0.376 40 N N 2.469 121.178 118.700 0.014 0.000 2.968 40 N HA -0.030 4.704 4.740 -0.010 0.000 0.271 40 N C -0.206 175.294 175.510 -0.017 0.000 1.174 40 N CA -0.433 52.615 53.050 -0.002 0.000 1.096 40 N CB -0.811 37.680 38.487 0.006 0.000 1.403 40 N HN 0.334 8.733 8.380 0.033 0.000 0.522 41 G N 2.273 111.043 108.800 -0.049 0.000 2.473 41 G HA2 -0.062 3.867 3.960 -0.053 0.000 0.212 41 G HA3 -0.062 3.820 3.960 -0.131 0.000 0.212 41 G C -0.203 174.648 174.900 -0.081 0.000 1.211 41 G CA 0.318 45.370 45.100 -0.080 0.000 0.813 41 G HN -0.508 7.716 8.290 -0.058 0.032 0.541 42 I N 0.787 121.298 120.570 -0.098 0.000 2.880 42 I HA -0.224 3.902 4.170 -0.073 0.000 0.296 42 I C -0.694 175.403 176.117 -0.032 0.000 1.220 42 I CA -1.154 60.107 61.300 -0.066 0.000 1.435 42 I CB 0.891 38.861 38.000 -0.051 0.000 1.339 42 I HN -0.305 7.834 8.210 -0.120 0.000 0.583 43 D N 7.512 127.900 120.400 -0.021 0.000 2.423 43 D HA -0.139 4.495 4.640 -0.010 0.000 0.238 43 D C -0.349 175.950 176.300 -0.002 0.000 1.142 43 D CA 1.321 55.316 54.000 -0.009 0.000 0.884 43 D CB 0.730 41.527 40.800 -0.005 0.000 1.199 43 D HN -0.008 8.349 8.370 -0.022 0.000 0.438 44 D N 0.853 121.256 120.400 0.004 0.000 10.944 44 D HA -0.340 4.310 4.640 0.016 0.000 0.358 44 D C -0.960 175.350 176.300 0.017 0.000 3.120 44 D CA 1.119 55.127 54.000 0.013 0.000 2.629 44 D CB 0.966 41.773 40.800 0.013 0.000 1.169 44 D HN 0.055 8.426 8.370 0.002 0.000 0.937 45 E N 1.960 122.181 120.200 0.034 0.000 2.079 45 E HA 0.118 4.486 4.350 0.031 0.000 0.252 45 E C -1.312 175.311 176.600 0.038 0.000 0.992 45 E CA -0.547 55.881 56.400 0.046 0.000 0.829 45 E CB 0.019 29.766 29.700 0.079 0.000 1.158 45 E HN 0.150 8.535 8.360 0.042 0.000 0.435 46 G N 2.219 111.025 108.800 0.009 0.000 2.634 46 G HA2 0.121 4.264 3.960 -0.042 0.000 0.309 46 G HA3 0.121 4.066 3.960 -0.024 0.000 0.309 46 G C -1.472 173.420 174.900 -0.013 0.000 1.299 46 G CA -0.153 44.936 45.100 -0.019 0.000 0.798 46 G HN -0.846 7.450 8.290 0.009 0.000 0.490 47 G N -0.795 107.993 108.800 -0.021 0.000 3.129 47 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.385 47 G HA3 -0.281 3.682 3.960 0.004 0.000 0.385 47 G C -0.433 174.464 174.900 -0.005 0.000 1.046 47 G CA -0.451 44.645 45.100 -0.007 0.000 0.933 47 G HN -0.174 8.094 8.290 -0.036 0.000 0.424 48 S N 1.867 117.561 115.700 -0.011 0.000 3.098 48 S HA -0.221 4.242 4.470 -0.010 0.000 0.805 48 S C 1.158 175.751 174.600 -0.012 0.000 0.883 48 S CA 0.211 58.407 58.200 -0.007 0.000 1.384 48 S CB 0.374 63.578 63.200 0.007 0.000 1.040 48 S HN 0.000 8.301 8.310 -0.015 0.000 0.525 49 G N 5.399 114.187 108.800 -0.020 0.000 2.490 49 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.214 49 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.214 49 G C -0.177 174.694 174.900 -0.048 0.000 1.151 49 G CA -0.433 44.655 45.100 -0.020 0.000 0.684 49 G HN 0.406 8.682 8.290 -0.022 0.000 0.518 50 G N 2.732 111.484 108.800 -0.080 0.000 3.299 50 G HA2 -0.321 3.512 3.960 -0.212 0.000 0.251 50 G HA3 -0.321 3.499 3.960 -0.234 0.000 0.251 50 G C -1.374 173.412 174.900 -0.189 0.000 1.741 50 G CA -0.122 44.862 45.100 -0.194 0.000 1.151 50 G HN -0.520 7.658 8.290 -0.057 0.078 0.561 51 H N 3.817 122.889 119.070 0.003 0.000 2.640 51 H HA 0.140 4.697 4.556 0.002 0.000 0.297 51 H C -0.430 174.899 175.328 0.002 0.000 1.073 51 H CA -0.924 55.125 56.048 0.002 0.000 1.305 51 H CB 0.214 29.977 29.762 0.002 0.000 1.404 51 H HN -0.070 8.142 8.280 -0.113 0.000 0.459 52 M N 3.915 123.586 119.600 0.119 0.000 2.823 52 M HA 0.192 4.707 4.480 0.058 0.000 0.282 52 M C 0.081 176.411 176.300 0.051 0.000 1.177 52 M CA -0.892 54.447 55.300 0.065 0.000 0.871 52 M CB 2.244 34.867 32.600 0.039 0.000 1.595 52 M HN 0.432 8.872 8.290 0.124 -0.076 0.524 53 G N -0.029 108.789 108.800 0.030 0.000 2.744 53 G HA2 0.204 4.175 3.960 0.019 0.000 0.286 53 G HA3 0.204 4.173 3.960 0.016 0.000 0.286 53 G C -1.380 173.527 174.900 0.012 0.000 1.497 53 G CA 0.260 45.371 45.100 0.019 0.000 1.070 53 G HN 0.238 8.544 8.290 0.026 0.000 0.539 54 S N 2.895 118.601 115.700 0.011 0.000 2.536 54 S HA 0.071 4.543 4.470 0.004 0.000 0.246 54 S C -0.445 174.161 174.600 0.010 0.000 1.077 54 S CA 0.172 58.377 58.200 0.007 0.000 1.091 54 S CB 1.628 64.831 63.200 0.006 0.000 1.148 54 S HN 0.102 8.419 8.310 0.012 0.000 0.447 55 G N 2.983 111.789 108.800 0.009 0.000 2.882 55 G HA2 0.293 4.262 3.960 0.014 0.000 0.164 55 G HA3 0.293 4.259 3.960 0.009 0.000 0.164 55 G C -0.515 174.398 174.900 0.021 0.000 1.429 55 G CA -0.530 44.578 45.100 0.013 0.000 1.059 55 G HN -0.136 8.157 8.290 0.005 0.000 0.581 56 G N -0.947 107.866 108.800 0.022 0.000 2.491 56 G HA2 -0.020 3.973 3.960 0.055 0.000 0.238 56 G HA3 -0.020 3.957 3.960 0.027 0.000 0.238 56 G C -0.290 174.622 174.900 0.021 0.000 1.277 56 G CA -0.024 45.096 45.100 0.033 0.000 0.851 56 G HN -0.019 8.280 8.290 0.016 0.000 0.573 57 T N -0.120 114.452 114.554 0.028 0.000 3.226 57 T HA 0.332 4.666 4.350 -0.027 0.000 0.378 57 T C -1.765 172.922 174.700 -0.022 0.000 1.380 57 T CA -3.395 58.690 62.100 -0.025 0.000 1.396 57 T CB 0.794 69.600 68.868 -0.102 0.000 1.044 57 T HN -0.032 8.251 8.240 0.073 0.000 0.586 58 P HA 0.159 4.587 4.420 0.013 0.000 0.273 58 P C 0.091 177.379 177.300 -0.019 0.000 1.250 58 P CA -0.269 62.829 63.100 -0.003 0.000 0.793 58 P CB 0.914 32.614 31.700 -0.001 0.000 1.011 59 E N -3.957 116.236 120.200 -0.010 0.000 2.586 59 E HA -0.355 3.990 4.350 -0.009 0.000 0.259 59 E C -0.986 175.595 176.600 -0.031 0.000 1.107 59 E CA 1.119 57.510 56.400 -0.016 0.000 0.754 59 E CB -0.709 28.980 29.700 -0.019 0.000 1.335 59 E HN 0.314 8.674 8.360 -0.000 0.000 0.411 60 I N -0.050 120.499 120.570 -0.034 0.000 2.392 60 I HA 0.260 4.378 4.170 -0.087 0.000 0.295 60 I C -2.345 173.766 176.117 -0.010 0.000 0.985 60 I CA -3.628 57.628 61.300 -0.074 0.000 1.221 60 I CB 1.967 39.841 38.000 -0.209 0.000 1.366 60 I HN -0.552 7.623 8.210 -0.012 0.027 0.467 61 P HA 0.010 4.456 4.420 0.044 0.000 0.267 61 P C -1.617 175.763 177.300 0.133 0.000 1.209 61 P CA -0.197 62.941 63.100 0.064 0.000 0.763 61 P CB 0.525 32.283 31.700 0.097 0.000 0.816 62 M N 2.063 121.719 119.600 0.093 0.000 2.314 62 M HA -0.033 4.617 4.480 0.162 -0.073 0.342 62 M C -0.206 176.113 176.300 0.032 0.000 1.171 62 M CA -0.504 54.846 55.300 0.084 0.000 1.098 62 M CB 2.199 34.806 32.600 0.011 0.000 1.559 62 M HN -0.258 8.053 8.290 0.035 0.000 0.459 63 C N 4.390 123.719 119.300 0.048 0.000 2.611 63 C HA -0.045 4.410 4.460 -0.008 0.000 0.416 63 C C 0.505 175.272 174.990 -0.370 0.000 1.366 63 C CA -1.032 57.924 59.018 -0.102 0.000 1.761 63 C CB 0.706 28.382 27.740 -0.107 0.000 2.619 63 C HN 0.165 8.319 8.230 0.056 0.109 0.606 64 A N 6.776 129.143 122.820 -0.754 0.000 2.505 64 A HA -0.146 3.603 4.320 -0.952 0.000 0.271 64 A C 0.021 177.216 177.584 -0.649 0.000 1.112 64 A CA 0.941 52.297 52.037 -1.135 0.000 0.781 64 A CB -0.310 17.126 19.000 -2.606 0.000 1.059 64 A HN -0.189 7.420 8.150 -0.902 0.000 0.508 65 G N 2.298 110.873 108.800 -0.376 0.000 2.149 65 G HA2 -0.329 3.618 3.960 -0.022 0.000 0.235 65 G HA3 -0.329 3.673 3.960 0.070 0.000 0.235 65 G C -0.870 174.027 174.900 -0.005 0.000 1.018 65 G CA 0.207 45.269 45.100 -0.062 0.000 0.728 65 G HN 0.229 8.279 8.290 -0.400 0.000 0.508 66 C N -1.742 117.530 119.300 -0.046 0.000 3.307 66 C HA 0.243 4.723 4.460 0.034 0.000 0.350 66 C C -1.627 173.353 174.990 -0.017 0.000 1.549 66 C CA -1.247 57.776 59.018 0.007 0.000 1.396 66 C CB 2.588 30.361 27.740 0.057 0.000 1.970 66 C HN -0.281 7.877 8.230 -0.119 0.000 0.441 67 D N 0.148 120.542 120.400 -0.009 0.000 2.422 67 D HA 0.108 4.737 4.640 -0.020 0.000 0.218 67 D C -0.856 175.421 176.300 -0.038 0.000 1.047 67 D CA 1.565 55.553 54.000 -0.021 0.000 0.885 67 D CB 0.826 41.617 40.800 -0.016 0.000 1.035 67 D HN 0.248 8.621 8.370 0.004 0.000 0.502 68 Q N -1.233 118.528 119.800 -0.064 0.000 2.633 68 Q HA 0.160 4.410 4.340 -0.150 0.000 0.208 68 Q C -1.685 174.244 176.000 -0.119 0.000 1.010 68 Q CA -0.703 55.001 55.803 -0.166 0.000 0.982 68 Q CB 2.760 31.335 28.738 -0.270 0.000 1.334 68 Q HN -0.528 7.719 8.270 -0.039 0.000 0.508 69 H N -2.849 116.222 119.070 0.002 0.000 2.595 69 H HA 0.241 4.897 4.556 0.013 -0.093 0.346 69 H C -1.128 174.175 175.328 -0.043 0.000 1.181 69 H CA -2.007 54.034 56.048 -0.012 0.000 1.242 69 H CB 1.661 31.406 29.762 -0.027 0.000 1.652 69 H HN -0.081 7.555 8.280 -1.075 0.000 0.548 70 I N 0.171 120.768 120.570 0.045 0.000 2.779 70 I HA -0.066 4.040 4.170 -0.106 0.000 0.285 70 I C -0.364 175.757 176.117 0.006 0.000 1.134 70 I CA -0.566 60.681 61.300 -0.089 0.000 1.398 70 I CB 0.509 38.337 38.000 -0.287 0.000 1.404 70 I HN 0.534 8.774 8.210 0.049 0.000 0.587 71 L N -3.314 117.915 121.223 0.010 0.000 3.443 71 L HA 0.445 4.868 4.340 -0.011 -0.090 0.358 71 L C -1.612 175.253 176.870 -0.009 0.000 1.338 71 L CA -0.720 54.123 54.840 0.006 0.000 0.905 71 L CB 1.044 43.120 42.059 0.029 0.000 1.317 71 L HN 0.164 8.404 8.230 0.017 0.000 0.602 72 D N -0.011 120.421 120.400 0.054 0.000 2.569 72 D HA 0.308 4.987 4.640 0.064 0.000 0.266 72 D C -0.093 176.337 176.300 0.217 0.000 1.164 72 D CA -0.783 53.289 54.000 0.120 0.000 1.071 72 D CB 2.035 42.944 40.800 0.183 0.000 1.183 72 D HN -0.423 7.972 8.370 0.042 0.000 0.613 73 R N -0.746 119.949 120.500 0.324 0.000 2.043 73 R HA -0.172 4.423 4.340 0.425 0.000 0.221 73 R C 0.151 176.666 176.300 0.357 0.000 1.196 73 R CA 1.918 58.252 56.100 0.390 0.000 0.949 73 R CB 0.666 31.198 30.300 0.388 0.000 0.838 73 R HN 0.055 8.503 8.270 0.296 0.000 0.446 74 F N -1.838 118.181 119.950 0.114 0.000 2.467 74 F HA -0.017 4.554 4.527 0.073 0.000 0.362 74 F C 0.012 175.874 175.800 0.103 0.000 1.090 74 F CA 0.626 58.680 58.000 0.090 0.000 1.202 74 F CB 0.333 39.381 39.000 0.080 0.000 1.113 74 F HN -0.289 8.293 8.300 0.470 0.000 0.541 75 I N 4.022 124.613 120.570 0.035 0.000 2.730 75 I HA 0.166 4.425 4.170 0.148 0.000 0.298 75 I C -2.261 173.865 176.117 0.016 0.000 1.089 75 I CA -2.518 58.821 61.300 0.065 0.000 1.041 75 I CB 3.907 41.930 38.000 0.038 0.000 1.235 75 I HN 0.871 8.987 8.210 -0.157 0.000 0.423 76 L N 4.782 126.066 121.223 0.102 0.000 2.277 76 L HA 0.411 4.989 4.340 0.027 -0.222 0.284 76 L C -1.301 175.660 176.870 0.152 0.000 1.028 76 L CA -1.331 53.567 54.840 0.096 0.000 0.835 76 L CB -0.064 42.072 42.059 0.128 0.000 1.215 76 L HN 0.505 8.830 8.230 0.160 0.000 0.425 77 K N 5.792 126.253 120.400 0.101 0.000 2.267 77 K HA 0.361 4.950 4.320 0.221 -0.136 0.282 77 K C -1.265 175.406 176.600 0.119 0.000 1.078 77 K CA -0.332 56.040 56.287 0.141 0.000 0.903 77 K CB 1.204 33.754 32.500 0.083 0.000 1.111 77 K HN 0.653 8.829 8.250 0.041 0.099 0.475 78 A N 4.339 127.283 122.820 0.206 0.000 2.594 78 A HA 0.417 4.744 4.320 0.010 0.000 0.291 78 A C -2.096 175.554 177.584 0.109 0.000 1.105 78 A CA -1.467 50.603 52.037 0.056 0.000 0.694 78 A CB 3.261 22.197 19.000 -0.106 0.000 1.291 78 A HN 0.847 9.242 8.150 0.408 0.000 0.410 79 L N -4.375 116.828 121.223 -0.033 0.000 3.717 79 L HA -0.357 3.946 4.340 -0.061 0.000 0.414 79 L C -0.646 176.311 176.870 0.145 0.000 1.228 79 L CA 0.326 55.179 54.840 0.022 0.000 0.918 79 L CB -2.195 39.862 42.059 -0.002 0.000 1.865 79 L HN 0.904 9.070 8.230 -0.107 0.000 0.922 80 D N -6.180 114.276 120.400 0.093 0.000 2.746 80 D HA -0.301 4.372 4.640 0.055 0.000 0.236 80 D C -0.483 175.879 176.300 0.103 0.000 1.129 80 D CA 1.344 55.391 54.000 0.079 0.000 0.691 80 D CB -0.752 40.079 40.800 0.051 0.000 1.077 80 D HN 0.113 8.498 8.370 0.054 0.018 0.432 81 R N -4.330 116.263 120.500 0.154 0.000 2.829 81 R HA 0.168 4.531 4.340 0.037 0.000 0.283 81 R C -2.583 173.778 176.300 0.101 0.000 1.013 81 R CA -0.840 55.291 56.100 0.051 0.000 0.848 81 R CB 3.324 33.553 30.300 -0.118 0.000 1.291 81 R HN -0.657 7.642 8.270 0.200 0.091 0.496 82 H N -0.259 118.783 119.070 -0.047 0.000 2.723 82 H HA 0.162 4.880 4.556 0.092 -0.107 0.294 82 H C -1.813 173.435 175.328 -0.133 0.000 1.079 82 H CA -1.592 54.442 56.048 -0.024 0.000 1.411 82 H CB -0.572 29.145 29.762 -0.075 0.000 1.439 82 H HN 0.320 8.415 8.280 -0.309 0.000 0.474 83 W N 3.560 124.863 121.300 0.005 0.000 2.475 83 W HA 0.244 4.876 4.660 -0.046 0.000 0.317 83 W C -0.444 176.137 176.519 0.104 0.000 1.046 83 W CA -1.354 55.996 57.345 0.009 0.000 1.215 83 W CB 1.364 30.829 29.460 0.007 0.000 1.335 83 W HN 0.792 9.223 8.180 0.419 0.000 0.471 84 H N 5.741 124.954 119.070 0.238 0.000 2.815 84 H HA -0.164 4.497 4.556 0.175 0.000 0.389 84 H C 0.479 175.921 175.328 0.190 0.000 1.585 84 H CA 1.755 57.915 56.048 0.187 0.000 1.472 84 H CB 1.418 31.260 29.762 0.134 0.000 1.519 84 H HN -0.264 8.161 8.280 0.241 0.000 0.603 85 S N 0.263 116.165 115.700 0.338 0.000 2.388 85 S HA -0.166 4.424 4.470 0.199 0.000 0.223 85 S C 0.784 175.465 174.600 0.136 0.000 1.034 85 S CA 3.175 61.493 58.200 0.196 0.000 0.963 85 S CB 0.495 63.787 63.200 0.153 0.000 0.827 85 S HN 0.432 8.972 8.310 0.383 0.000 0.481 86 K N 1.014 121.465 120.400 0.084 0.000 2.356 86 K HA 0.012 4.374 4.320 0.070 0.000 0.195 86 K C 0.680 177.354 176.600 0.123 0.000 1.037 86 K CA 1.623 57.949 56.287 0.063 0.000 1.014 86 K CB -0.059 32.434 32.500 -0.011 0.000 0.815 86 K HN 0.286 8.552 8.250 0.026 0.000 0.507 87 C N -2.399 117.020 119.300 0.197 0.000 2.435 87 C HA 0.110 4.694 4.460 0.208 0.000 0.326 87 C C -0.782 174.425 174.990 0.361 0.000 1.328 87 C CA -0.741 58.436 59.018 0.264 0.000 1.741 87 C CB -2.774 25.145 27.740 0.297 0.000 1.998 87 C HN 0.265 8.504 8.230 0.233 0.131 0.585 88 L N -2.193 119.179 121.223 0.249 0.000 3.289 88 L HA 0.229 4.668 4.340 0.165 0.000 0.291 88 L C -1.466 175.437 176.870 0.056 0.000 1.279 88 L CA -0.532 54.403 54.840 0.159 0.000 1.025 88 L CB 0.395 42.542 42.059 0.147 0.000 1.413 88 L HN -0.469 7.778 8.230 0.196 0.101 0.593 89 K N -1.179 119.272 120.400 0.085 0.000 2.098 89 K HA 0.097 4.442 4.320 0.041 0.000 0.261 89 K C -0.493 176.106 176.600 -0.001 0.000 0.987 89 K CA -1.444 54.883 56.287 0.066 0.000 0.916 89 K CB 0.615 33.218 32.500 0.171 0.000 1.039 89 K HN -0.701 7.567 8.250 0.129 0.060 0.455 90 C N 5.187 124.457 119.300 -0.049 0.000 2.633 90 C HA -0.103 4.423 4.460 -0.166 -0.166 0.415 90 C C 2.067 176.940 174.990 -0.194 0.000 1.393 90 C CA 0.723 59.641 59.018 -0.167 0.000 1.700 90 C CB -0.742 26.850 27.740 -0.247 0.000 2.541 90 C HN 0.304 8.519 8.230 -0.026 0.000 0.603 91 S N 7.571 123.159 115.700 -0.187 0.000 2.440 91 S HA -0.276 4.072 4.470 -0.202 0.000 0.238 91 S C 0.084 174.568 174.600 -0.193 0.000 1.010 91 S CA 2.845 60.957 58.200 -0.148 0.000 0.972 91 S CB 0.096 63.318 63.200 0.037 0.000 0.774 91 S HN 0.398 8.627 8.310 -0.134 0.000 0.501 92 D N -1.269 118.938 120.400 -0.322 0.000 2.527 92 D HA -0.017 4.554 4.640 -0.114 0.000 0.249 92 D C 0.835 177.042 176.300 -0.155 0.000 1.029 92 D CA 1.931 55.789 54.000 -0.236 0.000 0.951 92 D CB 0.849 41.440 40.800 -0.348 0.000 1.093 92 D HN -0.204 7.800 8.370 -0.537 0.044 0.464 93 C N -2.074 117.106 119.300 -0.201 0.000 2.435 93 C HA -0.080 4.345 4.460 -0.058 0.000 0.279 93 C C 0.202 175.215 174.990 0.038 0.000 1.321 93 C CA 1.044 60.011 59.018 -0.084 0.000 1.752 93 C CB 0.466 28.138 27.740 -0.113 0.000 1.959 93 C HN 0.035 8.054 8.230 -0.351 0.000 0.500 94 H N -2.833 116.174 119.070 -0.106 0.000 2.921 94 H HA -0.350 4.294 4.556 -0.055 -0.120 0.281 94 H C -0.873 174.428 175.328 -0.046 0.000 1.165 94 H CA -0.215 55.796 56.048 -0.061 0.000 1.151 94 H CB -0.889 28.849 29.762 -0.040 0.000 1.311 94 H HN -0.123 7.992 8.280 -0.054 0.132 0.361 95 V N -6.769 113.182 119.914 0.063 0.000 2.644 95 V HA 0.401 4.517 4.120 -0.007 0.000 0.295 95 V C -2.391 173.714 176.094 0.019 0.000 1.053 95 V CA -2.840 59.467 62.300 0.012 0.000 0.987 95 V CB 0.838 32.655 31.823 -0.009 0.000 1.006 95 V HN -0.558 7.606 8.190 0.027 0.042 0.472 96 P HA -0.048 4.391 4.420 0.031 0.000 0.261 96 P C -1.161 176.151 177.300 0.019 0.000 1.203 96 P CA 0.466 63.577 63.100 0.019 0.000 0.767 96 P CB 0.210 31.917 31.700 0.011 0.000 0.785 97 L N 5.111 126.350 121.223 0.025 0.000 2.843 97 L HA 0.116 4.463 4.340 0.011 0.000 0.234 97 L C -0.457 176.432 176.870 0.031 0.000 1.264 97 L CA -1.106 53.743 54.840 0.016 0.000 1.052 97 L CB -0.546 41.509 42.059 -0.006 0.000 1.372 97 L HN -0.091 8.161 8.230 0.037 0.000 0.466 98 A N -0.774 122.071 122.820 0.041 0.000 2.797 98 A HA 0.125 4.485 4.320 0.067 0.000 0.287 98 A C -0.807 176.809 177.584 0.052 0.000 1.369 98 A CA 0.647 52.718 52.037 0.057 0.000 0.968 98 A CB 0.343 19.381 19.000 0.063 0.000 1.069 98 A HN -0.315 7.806 8.150 0.035 0.051 0.571 99 E N -3.015 117.209 120.200 0.039 0.000 3.027 99 E HA -0.009 4.368 4.350 0.045 0.000 0.221 99 E C -1.143 175.473 176.600 0.027 0.000 1.070 99 E CA 0.363 56.786 56.400 0.038 0.000 1.705 99 E CB 2.745 32.468 29.700 0.040 0.000 1.998 99 E HN 0.191 8.472 8.360 0.031 0.098 0.976 100 R N -2.236 118.275 120.500 0.018 0.000 2.869 100 R HA 0.291 4.629 4.340 -0.003 0.000 0.263 100 R C -2.413 173.872 176.300 -0.025 0.000 1.066 100 R CA -1.016 55.087 56.100 0.005 0.000 0.960 100 R CB 3.349 33.669 30.300 0.033 0.000 1.221 100 R HN -0.291 7.990 8.270 0.018 0.000 0.474 101 C N -0.743 118.525 119.300 -0.052 0.000 3.285 101 C HA 0.257 4.672 4.460 -0.075 0.000 0.325 101 C C -2.572 172.360 174.990 -0.095 0.000 1.304 101 C CA -1.389 57.568 59.018 -0.101 0.000 1.319 101 C CB 3.031 30.653 27.740 -0.197 0.000 1.640 101 C HN 0.187 8.387 8.230 -0.049 0.000 0.477 102 F N 1.841 121.652 119.950 -0.232 0.000 2.654 102 F HA 0.296 4.680 4.527 -0.238 0.000 0.308 102 F C -2.445 173.233 175.800 -0.204 0.000 1.108 102 F CA -0.577 57.281 58.000 -0.236 0.000 0.957 102 F CB 4.959 43.785 39.000 -0.289 0.000 1.309 102 F HN -0.150 8.120 8.300 -0.050 0.000 0.446 103 S N 2.828 118.579 115.700 0.086 0.000 2.536 103 S HA 0.562 5.196 4.470 0.010 -0.158 0.287 103 S C -1.063 173.612 174.600 0.125 0.000 1.101 103 S CA -1.188 57.031 58.200 0.033 0.000 0.950 103 S CB 3.135 66.282 63.200 -0.088 0.000 1.056 103 S HN 0.084 8.346 8.310 -0.080 0.000 0.481 104 R N 1.393 121.885 120.500 -0.014 0.000 2.907 104 R HA -0.023 4.323 4.340 0.009 0.000 0.246 104 R C -0.318 175.894 176.300 -0.147 0.000 1.082 104 R CA 0.477 56.531 56.100 -0.077 0.000 1.003 104 R CB 2.769 32.939 30.300 -0.216 0.000 1.261 104 R HN 0.857 8.989 8.270 -0.047 0.110 0.474 105 G N 4.618 113.378 108.800 -0.066 0.000 2.323 105 G HA2 -0.351 3.600 3.960 -0.014 0.000 0.292 105 G HA3 -0.351 3.565 3.960 -0.072 0.000 0.292 105 G C -0.407 174.475 174.900 -0.030 0.000 1.040 105 G CA 0.726 45.797 45.100 -0.048 0.000 0.942 105 G HN 0.515 8.791 8.290 -0.023 0.000 0.506 106 E N -2.919 117.279 120.200 -0.003 0.000 2.586 106 E HA -0.365 4.010 4.350 0.042 0.000 0.259 106 E C -1.843 174.781 176.600 0.040 0.000 1.107 106 E CA 0.915 57.331 56.400 0.028 0.000 0.754 106 E CB -0.518 29.201 29.700 0.031 0.000 1.335 106 E HN 0.572 8.924 8.360 -0.000 0.009 0.411 107 S N -3.903 111.805 115.700 0.012 0.000 2.541 107 S HA 0.169 4.697 4.470 0.097 0.000 0.271 107 S C -2.098 172.533 174.600 0.052 0.000 1.133 107 S CA -0.592 57.641 58.200 0.054 0.000 0.876 107 S CB 3.406 66.645 63.200 0.066 0.000 1.105 107 S HN -0.630 7.532 8.310 -0.026 0.133 0.470 108 V N 5.759 125.714 119.914 0.067 0.000 2.408 108 V HA 0.280 4.505 4.120 -0.063 -0.144 0.267 108 V C -1.705 174.508 176.094 0.197 0.000 1.047 108 V CA -0.902 61.383 62.300 -0.025 0.000 0.937 108 V CB 0.136 31.758 31.823 -0.335 0.000 0.999 108 V HN 0.403 8.643 8.190 0.084 0.000 0.472 109 Y N 8.239 128.481 120.300 -0.096 0.000 2.650 109 Y HA 0.429 4.928 4.550 -0.085 0.000 0.331 109 Y C -0.865 174.987 175.900 -0.081 0.000 1.082 109 Y CA -2.244 55.797 58.100 -0.098 0.000 1.171 109 Y CB 4.484 42.836 38.460 -0.180 0.000 1.326 109 Y HN 0.200 8.496 8.280 0.208 0.109 0.513 110 C N -2.411 116.858 119.300 -0.051 0.000 2.325 110 C HA 0.360 4.793 4.460 -0.044 0.000 0.370 110 C C 1.114 175.945 174.990 -0.265 0.000 1.217 110 C CA -2.300 56.654 59.018 -0.108 0.000 2.254 110 C CB 2.897 30.559 27.740 -0.130 0.000 2.282 110 C HN 0.290 8.431 8.230 -0.147 0.000 0.564 111 K N -0.534 119.664 120.400 -0.337 0.000 2.228 111 K HA -0.333 3.329 4.320 -1.096 0.000 0.202 111 K C 1.699 177.492 176.600 -1.344 0.000 1.051 111 K CA 3.104 58.905 56.287 -0.810 0.000 0.960 111 K CB -0.089 32.231 32.500 -0.299 0.000 0.743 111 K HN 0.364 8.511 8.250 -0.172 0.000 0.458 112 D N -1.718 118.358 120.400 -0.539 0.000 2.103 112 D HA -0.307 4.316 4.640 -0.028 0.000 0.190 112 D C 1.839 177.958 176.300 -0.301 0.000 0.997 112 D CA 3.442 57.281 54.000 -0.268 0.000 0.833 112 D CB -0.274 40.489 40.800 -0.062 0.000 0.961 112 D HN -0.034 8.158 8.370 -0.296 0.000 0.447 113 D N -2.316 117.947 120.400 -0.227 0.000 2.269 113 D HA -0.220 4.393 4.640 -0.045 0.000 0.208 113 D C 1.979 178.241 176.300 -0.063 0.000 0.963 113 D CA 1.848 55.796 54.000 -0.085 0.000 0.864 113 D CB -0.779 40.017 40.800 -0.008 0.000 0.936 113 D HN -0.624 7.615 8.370 -0.219 0.000 0.505 114 F N 0.357 120.000 119.950 -0.511 0.000 2.216 114 F HA -0.361 4.081 4.527 -0.141 0.000 0.300 114 F C 0.065 175.635 175.800 -0.383 0.000 1.085 114 F CA 3.288 60.934 58.000 -0.589 0.000 1.326 114 F CB 0.220 38.436 39.000 -1.306 0.000 1.027 114 F HN -0.815 7.063 8.300 -0.465 0.143 0.497 115 F N -5.770 114.210 119.950 0.050 0.000 2.234 115 F HA -0.274 4.327 4.527 0.122 0.000 0.296 115 F C 1.793 177.613 175.800 0.033 0.000 1.089 115 F CA 1.391 59.428 58.000 0.061 0.000 1.343 115 F CB -0.736 38.295 39.000 0.052 0.000 1.040 115 F HN -0.725 7.063 8.300 -0.815 0.023 0.498 116 K N 0.296 120.783 120.400 0.145 0.000 2.056 116 K HA -0.030 4.332 4.320 0.071 0.000 0.205 116 K C 2.787 179.369 176.600 -0.030 0.000 1.035 116 K CA 2.173 58.495 56.287 0.058 0.000 0.955 116 K CB 0.238 32.763 32.500 0.042 0.000 0.769 116 K HN -0.808 7.423 8.250 0.096 0.076 0.447 117 R N -1.097 119.364 120.500 -0.066 0.000 2.073 117 R HA -0.213 3.992 4.340 -0.225 0.000 0.234 117 R C 1.674 177.709 176.300 -0.443 0.000 1.134 117 R CA 2.114 58.074 56.100 -0.232 0.000 0.952 117 R CB 0.329 30.509 30.300 -0.200 0.000 0.850 117 R HN 0.028 8.201 8.270 -0.017 0.087 0.433 118 F N -2.007 117.735 119.950 -0.348 0.000 2.916 118 F HA 0.052 4.349 4.527 -0.384 0.000 0.294 118 F C -0.813 174.780 175.800 -0.344 0.000 1.189 118 F CA -0.354 57.327 58.000 -0.532 0.000 1.369 118 F CB -0.114 38.150 39.000 -1.228 0.000 0.961 118 F HN -0.659 7.578 8.300 0.022 0.076 0.508 119 G N -0.769 108.017 108.800 -0.023 0.000 2.896 119 G HA2 0.393 4.437 3.960 0.140 0.000 0.247 119 G HA3 0.393 4.578 3.960 0.195 -0.108 0.247 119 G C -1.520 173.416 174.900 0.061 0.000 1.187 119 G CA -0.184 44.978 45.100 0.102 0.000 0.837 119 G HN -0.810 7.346 8.290 -0.077 0.089 0.559 120 T N 3.952 118.560 114.554 0.090 0.000 2.922 120 T HA 0.233 4.602 4.350 0.031 0.000 0.285 120 T C -1.150 173.558 174.700 0.013 0.000 1.005 120 T CA 0.407 62.534 62.100 0.046 0.000 1.061 120 T CB 0.578 69.480 68.868 0.056 0.000 1.007 120 T HN -0.030 8.294 8.240 0.139 0.000 0.502 121 K N -0.591 119.790 120.400 -0.031 0.000 2.617 121 K HA 0.179 4.547 4.320 -0.076 -0.094 0.293 121 K C -1.881 174.637 176.600 -0.137 0.000 1.034 121 K CA -1.887 54.355 56.287 -0.076 0.000 0.884 121 K CB 1.518 33.978 32.500 -0.065 0.000 1.541 121 K HN -0.258 7.975 8.250 -0.029 0.000 0.409 122 C N 0.745 119.925 119.300 -0.201 0.000 2.657 122 C HA -0.081 4.211 4.460 -0.279 0.000 0.420 122 C C 0.617 175.465 174.990 -0.236 0.000 1.323 122 C CA -0.033 58.832 59.018 -0.255 0.000 1.894 122 C CB 1.033 28.583 27.740 -0.318 0.000 2.681 122 C HN 0.277 8.385 8.230 -0.203 0.000 0.613 123 A N 5.512 128.079 122.820 -0.423 0.000 2.476 123 A HA 0.158 4.314 4.320 -0.272 0.000 0.263 123 A C -1.257 176.196 177.584 -0.218 0.000 1.342 123 A CA 0.457 52.241 52.037 -0.421 0.000 0.926 123 A CB -0.879 17.690 19.000 -0.718 0.000 1.019 123 A HN 0.416 8.191 8.150 -0.625 0.000 0.515 124 A N -2.158 120.625 122.820 -0.062 0.000 1.935 124 A HA 0.029 4.397 4.320 0.079 0.000 0.202 124 A C 0.165 177.790 177.584 0.068 0.000 1.772 124 A CA 1.159 53.244 52.037 0.080 0.000 1.013 124 A CB 0.804 19.934 19.000 0.217 0.000 1.077 124 A HN -0.413 7.588 8.150 -0.071 0.106 0.565 125 C N -3.521 115.839 119.300 0.100 0.000 2.974 125 C HA 0.440 4.933 4.460 0.055 0.000 0.282 125 C C -0.074 174.940 174.990 0.041 0.000 1.292 125 C CA -1.431 57.636 59.018 0.082 0.000 1.710 125 C CB 0.791 28.609 27.740 0.129 0.000 2.036 125 C HN -0.224 8.093 8.230 0.146 0.000 0.629 126 Q N -3.398 116.402 119.800 0.000 0.000 2.480 126 Q HA -0.514 3.943 4.340 -0.065 -0.156 0.265 126 Q C -1.246 174.743 176.000 -0.018 0.000 1.072 126 Q CA 0.781 56.564 55.803 -0.033 0.000 1.018 126 Q CB -2.625 26.092 28.738 -0.035 0.000 1.433 126 Q HN -0.034 8.167 8.270 -0.012 0.062 0.513 127 L N -0.500 120.725 121.223 0.004 0.000 2.418 127 L HA 0.158 4.516 4.340 0.031 0.000 0.265 127 L C -0.226 176.623 176.870 -0.036 0.000 1.143 127 L CA -0.209 54.646 54.840 0.024 0.000 0.809 127 L CB 1.990 44.143 42.059 0.157 0.000 1.124 127 L HN -0.897 7.315 8.230 0.016 0.027 0.456 128 G N 1.842 110.642 108.800 -0.000 0.000 2.394 128 G HA2 0.062 4.019 3.960 -0.004 0.000 0.298 128 G HA3 0.062 4.047 3.960 0.042 0.000 0.298 128 G C -0.664 174.232 174.900 -0.007 0.000 1.087 128 G CA -0.646 44.459 45.100 0.008 0.000 1.035 128 G HN 0.070 8.375 8.290 0.025 0.000 0.420 129 I N 6.364 126.905 120.570 -0.048 0.000 2.556 129 I HA -0.097 4.026 4.170 -0.078 0.000 0.284 129 I C -1.375 174.738 176.117 -0.005 0.000 1.114 129 I CA -1.516 59.748 61.300 -0.059 0.000 1.418 129 I CB -0.308 37.639 38.000 -0.089 0.000 1.394 129 I HN -0.296 7.880 8.210 -0.056 0.000 0.552 130 P HA 0.025 4.448 4.420 0.006 0.000 0.273 130 P C -1.665 175.624 177.300 -0.018 0.000 1.248 130 P CA -0.727 62.372 63.100 -0.000 0.000 0.817 130 P CB -0.561 31.141 31.700 0.003 0.000 0.995 131 P HA -0.046 4.341 4.420 -0.054 0.000 0.216 131 P C -0.767 176.514 177.300 -0.033 0.000 1.156 131 P CA 2.167 65.231 63.100 -0.060 0.000 0.855 131 P CB 0.781 32.413 31.700 -0.112 0.000 0.786 132 T N -5.857 108.680 114.554 -0.028 0.000 3.288 132 T HA 0.160 4.573 4.350 -0.016 -0.072 0.293 132 T C -0.659 174.035 174.700 -0.011 0.000 1.008 132 T CA -1.631 60.458 62.100 -0.018 0.000 0.929 132 T CB 0.278 69.134 68.868 -0.019 0.000 1.152 132 T HN -0.177 8.044 8.240 -0.031 0.000 0.517 133 Q N 0.896 120.691 119.800 -0.008 0.000 3.055 133 Q HA -0.180 4.161 4.340 0.001 0.000 0.190 133 Q C -0.826 175.173 176.000 -0.003 0.000 1.173 133 Q CA 0.374 56.177 55.803 -0.000 0.000 1.266 133 Q CB 0.202 28.945 28.738 0.008 0.000 1.338 133 Q HN -0.516 7.747 8.270 -0.010 0.000 0.707 134 V N -0.487 119.428 119.914 0.001 0.000 2.349 134 V HA 0.231 4.344 4.120 -0.012 0.000 0.284 134 V C -1.348 174.738 176.094 -0.014 0.000 1.014 134 V CA -1.077 61.219 62.300 -0.007 0.000 0.826 134 V CB 0.206 32.026 31.823 -0.005 0.000 1.009 134 V HN -0.035 8.161 8.190 0.010 0.000 0.431 135 V N 4.271 124.166 119.914 -0.032 0.000 3.178 135 V HA 0.270 4.344 4.120 -0.076 0.000 0.302 135 V C -2.413 173.619 176.094 -0.103 0.000 1.262 135 V CA -2.168 60.093 62.300 -0.065 0.000 1.030 135 V CB 4.255 36.053 31.823 -0.041 0.000 1.074 135 V HN 0.118 8.291 8.190 -0.029 0.000 0.438 136 R N 2.897 123.269 120.500 -0.214 0.000 2.368 136 R HA 0.293 4.561 4.340 -0.119 0.000 0.302 136 R C -1.267 174.925 176.300 -0.181 0.000 1.002 136 R CA -0.970 54.989 56.100 -0.235 0.000 0.929 136 R CB 0.768 30.831 30.300 -0.395 0.000 1.073 136 R HN 0.392 8.486 8.270 -0.294 0.000 0.464 137 R N 2.089 122.587 120.500 -0.003 0.000 2.346 137 R HA 0.295 4.762 4.340 0.212 0.000 0.311 137 R C -0.455 176.010 176.300 0.275 0.000 0.983 137 R CA -1.512 54.679 56.100 0.151 0.000 0.880 137 R CB 1.587 31.957 30.300 0.117 0.000 1.100 137 R HN 0.441 8.714 8.270 0.004 0.000 0.453 138 A N 4.071 127.184 122.820 0.488 0.000 2.545 138 A HA 0.050 4.717 4.320 0.578 0.000 0.297 138 A C -0.641 177.149 177.584 0.344 0.000 1.340 138 A CA 0.227 52.577 52.037 0.523 0.000 1.016 138 A CB -0.438 18.905 19.000 0.571 0.000 1.122 138 A HN 0.271 8.818 8.150 0.662 0.000 0.537 139 Q N 3.054 122.984 119.800 0.216 0.000 2.026 139 Q HA -0.512 3.862 4.340 0.057 0.000 0.307 139 Q C 0.177 176.171 176.000 -0.009 0.000 2.333 139 Q CA 3.339 59.188 55.803 0.076 0.000 0.744 139 Q CB -1.253 27.512 28.738 0.046 0.000 1.401 139 Q HN 0.266 8.689 8.270 0.254 0.000 0.684 140 D N -1.585 118.726 120.400 -0.149 0.000 2.369 140 D HA 0.184 4.701 4.640 -0.205 0.000 0.231 140 D C 0.417 176.531 176.300 -0.310 0.000 0.967 140 D CA 1.389 55.174 54.000 -0.358 0.000 0.905 140 D CB 1.017 41.389 40.800 -0.714 0.000 1.044 140 D HN -0.224 8.054 8.370 -0.138 0.010 0.487 141 F N -2.721 117.318 119.950 0.148 0.000 2.378 141 F HA 0.158 4.725 4.527 0.067 0.000 0.319 141 F C -0.731 175.176 175.800 0.179 0.000 1.155 141 F CA -0.479 57.598 58.000 0.128 0.000 1.157 141 F CB 0.854 39.927 39.000 0.123 0.000 1.252 141 F HN -0.666 7.395 8.300 -0.398 0.000 0.550 142 V N -1.893 118.177 119.914 0.261 0.000 2.732 142 V HA 0.109 4.377 4.120 0.247 0.000 0.310 142 V C -2.489 173.659 176.094 0.089 0.000 1.053 142 V CA -0.822 61.586 62.300 0.179 0.000 0.957 142 V CB 2.349 34.208 31.823 0.060 0.000 1.018 142 V HN 0.206 8.522 8.190 0.210 0.000 0.452 143 Y N 4.207 124.561 120.300 0.091 0.000 2.698 143 Y HA 0.089 4.718 4.550 0.132 0.000 0.332 143 Y C -1.184 174.742 175.900 0.045 0.000 1.119 143 Y CA -1.137 57.049 58.100 0.143 0.000 1.109 143 Y CB 4.337 43.056 38.460 0.430 0.000 1.308 143 Y HN -0.432 7.995 8.280 0.244 0.000 0.499 144 H N -0.329 118.921 119.070 0.300 0.000 2.546 144 H HA 0.105 4.722 4.556 0.103 0.000 0.365 144 H C 1.066 176.472 175.328 0.131 0.000 1.220 144 H CA 0.172 56.325 56.048 0.175 0.000 1.386 144 H CB 1.970 31.845 29.762 0.187 0.000 1.510 144 H HN 0.396 9.022 8.280 0.576 0.000 0.591 145 L N -0.625 120.794 121.223 0.327 0.000 2.209 145 L HA -0.177 4.167 4.340 0.007 0.000 0.207 145 L C 0.444 177.416 176.870 0.171 0.000 1.094 145 L CA 1.944 56.877 54.840 0.155 0.000 0.790 145 L CB -0.012 42.136 42.059 0.149 0.000 0.932 145 L HN 0.284 8.808 8.230 0.490 0.000 0.447 146 H N -2.979 116.134 119.070 0.072 0.000 2.388 146 H HA -0.116 4.459 4.556 0.032 0.000 0.304 146 H C 1.052 176.426 175.328 0.077 0.000 1.049 146 H CA 3.222 59.282 56.048 0.019 0.000 1.371 146 H CB 0.294 29.999 29.762 -0.095 0.000 1.436 146 H HN -0.219 8.241 8.280 0.301 0.000 0.544 147 C N -2.318 117.127 119.300 0.243 0.000 2.403 147 C HA -0.202 4.355 4.460 0.162 0.000 0.279 147 C C 0.456 175.599 174.990 0.254 0.000 1.269 147 C CA 1.041 60.206 59.018 0.244 0.000 1.774 147 C CB -1.161 26.786 27.740 0.345 0.000 1.993 147 C HN -0.034 8.328 8.230 0.221 0.000 0.496 148 F N 0.567 120.571 119.950 0.090 0.000 2.590 148 F HA -0.264 4.235 4.527 -0.047 0.000 0.389 148 F C -1.252 174.507 175.800 -0.068 0.000 1.049 148 F CA 1.589 59.575 58.000 -0.024 0.000 1.199 148 F CB 0.436 39.397 39.000 -0.066 0.000 1.058 148 F HN -0.772 7.784 8.300 0.472 0.027 0.556 149 A N 4.908 127.577 122.820 -0.251 0.000 2.438 149 A HA 0.025 4.382 4.320 -0.143 -0.123 0.301 149 A C -2.928 174.528 177.584 -0.214 0.000 1.101 149 A CA -0.760 51.174 52.037 -0.171 0.000 0.621 149 A CB 2.117 21.078 19.000 -0.066 0.000 1.350 149 A HN -0.385 7.478 8.150 -0.478 0.000 0.496 150 C N -0.599 118.631 119.300 -0.116 0.000 2.365 150 C HA 0.596 5.166 4.460 -0.099 -0.170 0.349 150 C C 2.001 176.960 174.990 -0.051 0.000 1.191 150 C CA -2.338 56.634 59.018 -0.077 0.000 2.114 150 C CB 2.211 29.931 27.740 -0.032 0.000 2.367 150 C HN 0.070 8.357 8.230 -0.083 -0.107 0.530 151 V N 3.597 123.488 119.914 -0.039 0.000 2.594 151 V HA -0.195 3.906 4.120 -0.031 0.000 0.253 151 V C -0.026 176.057 176.094 -0.020 0.000 1.069 151 V CA 3.591 65.873 62.300 -0.029 0.000 1.082 151 V CB -0.496 31.310 31.823 -0.029 0.000 0.680 151 V HN 0.412 8.582 8.190 -0.033 0.000 0.469 152 V N -0.106 119.800 119.914 -0.013 0.000 2.721 152 V HA 0.035 4.149 4.120 -0.010 0.000 0.236 152 V C 0.743 176.833 176.094 -0.006 0.000 1.116 152 V CA 1.664 63.960 62.300 -0.008 0.000 1.148 152 V CB 0.453 32.275 31.823 -0.001 0.000 0.886 152 V HN -0.349 7.804 8.190 -0.010 0.031 0.490 153 C N -1.914 117.383 119.300 -0.004 0.000 2.432 153 C HA -0.110 4.349 4.460 -0.001 0.000 0.280 153 C C 0.251 175.234 174.990 -0.012 0.000 1.353 153 C CA 0.512 59.528 59.018 -0.004 0.000 1.766 153 C CB -0.201 27.539 27.740 0.000 0.000 1.924 153 C HN -0.211 8.019 8.230 -0.000 0.000 0.509 154 K N -1.634 118.753 120.400 -0.020 0.000 3.069 154 K HA -0.386 4.079 4.320 -0.031 -0.163 0.267 154 K C -1.721 174.863 176.600 -0.026 0.000 1.082 154 K CA 1.023 57.295 56.287 -0.023 0.000 0.782 154 K CB -1.211 31.281 32.500 -0.013 0.000 1.230 154 K HN -0.106 7.996 8.250 -0.023 0.134 0.488 155 R N -2.789 117.691 120.500 -0.033 0.000 2.562 155 R HA 0.257 4.578 4.340 -0.032 0.000 0.298 155 R C -0.340 175.933 176.300 -0.045 0.000 0.961 155 R CA -1.534 54.546 56.100 -0.033 0.000 0.881 155 R CB 2.097 32.383 30.300 -0.023 0.000 1.159 155 R HN -0.246 7.977 8.270 -0.035 0.026 0.450 156 Q N 1.906 121.684 119.800 -0.036 0.000 2.428 156 Q HA -0.179 4.264 4.340 0.003 -0.101 0.276 156 Q C -0.694 175.301 176.000 -0.009 0.000 1.059 156 Q CA 0.821 56.619 55.803 -0.008 0.000 0.923 156 Q CB 0.653 29.386 28.738 -0.009 0.000 1.283 156 Q HN 0.183 8.428 8.270 -0.041 0.000 0.447 157 L N 1.400 122.643 121.223 0.033 0.000 2.318 157 L HA 0.331 4.820 4.340 -0.020 -0.161 0.277 157 L C -0.378 176.501 176.870 0.015 0.000 1.008 157 L CA -1.470 53.361 54.840 -0.015 0.000 0.846 157 L CB -1.460 40.490 42.059 -0.183 0.000 1.220 157 L HN 0.242 8.573 8.230 0.168 0.000 0.423 158 A N 4.576 127.395 122.820 -0.002 0.000 2.242 158 A HA 0.226 4.527 4.320 -0.031 0.000 0.304 158 A C -0.463 177.123 177.584 0.002 0.000 1.100 158 A CA -1.129 50.901 52.037 -0.012 0.000 0.860 158 A CB 1.543 20.535 19.000 -0.013 0.000 1.168 158 A HN 0.219 8.369 8.150 -0.001 0.000 0.503 159 T N 0.608 115.161 114.554 -0.002 0.000 2.867 159 T HA -0.515 4.027 4.350 0.029 -0.174 0.290 159 T C 1.249 175.966 174.700 0.028 0.000 1.025 159 T CA 3.012 65.121 62.100 0.016 0.000 1.146 159 T CB -0.798 68.073 68.868 0.006 0.000 1.024 159 T HN 0.168 8.399 8.240 -0.016 0.000 0.519 160 G N 7.471 116.299 108.800 0.046 0.000 2.284 160 G HA2 -0.511 3.471 3.960 0.037 0.000 0.230 160 G HA3 -0.511 3.466 3.960 0.028 0.000 0.230 160 G C -0.782 174.152 174.900 0.056 0.000 1.021 160 G CA -0.262 44.862 45.100 0.041 0.000 0.619 160 G HN 1.004 9.211 8.290 0.061 0.119 0.510 161 D N 3.693 124.134 120.400 0.069 0.000 2.417 161 D HA -0.032 4.646 4.640 0.062 0.000 0.250 161 D C -1.009 175.391 176.300 0.166 0.000 1.166 161 D CA 0.907 54.958 54.000 0.085 0.000 0.881 161 D CB 1.069 41.904 40.800 0.057 0.000 1.164 161 D HN -0.094 8.212 8.370 0.058 0.099 0.467 162 E N 4.321 124.590 120.200 0.114 0.000 2.194 162 E HA 0.169 4.680 4.350 0.072 -0.118 0.284 162 E C -0.716 175.964 176.600 0.133 0.000 1.035 162 E CA -0.261 56.179 56.400 0.068 0.000 0.836 162 E CB 0.685 30.357 29.700 -0.047 0.000 1.070 162 E HN 0.201 8.605 8.360 0.074 0.000 0.401 163 F N 1.588 121.440 119.950 -0.164 0.000 2.588 163 F HA 0.371 4.870 4.527 -0.046 0.000 0.310 163 F C -2.553 173.132 175.800 -0.192 0.000 1.082 163 F CA -2.439 55.491 58.000 -0.117 0.000 0.929 163 F CB 2.370 41.323 39.000 -0.079 0.000 1.254 163 F HN -0.328 7.968 8.300 -0.007 0.000 0.455 164 Y N -0.785 119.500 120.300 -0.026 0.000 2.419 164 Y HA 0.182 4.597 4.550 -0.224 0.000 0.328 164 Y C -0.909 174.987 175.900 -0.008 0.000 1.162 164 Y CA -0.791 57.280 58.100 -0.049 0.000 1.174 164 Y CB 3.008 41.624 38.460 0.261 0.000 1.228 164 Y HN 0.819 9.153 8.280 0.326 0.142 0.473 165 L N 2.504 123.818 121.223 0.152 0.000 2.276 165 L HA 0.331 4.896 4.340 0.126 -0.149 0.286 165 L C -0.402 176.562 176.870 0.158 0.000 1.024 165 L CA -0.983 53.935 54.840 0.130 0.000 0.826 165 L CB 1.200 43.317 42.059 0.096 0.000 1.211 165 L HN 0.210 8.542 8.230 0.170 0.000 0.422 166 M N 4.371 124.036 119.600 0.108 0.000 2.207 166 M HA -0.077 4.429 4.480 0.043 0.000 0.311 166 M C 1.102 177.443 176.300 0.067 0.000 1.127 166 M CA 0.337 55.668 55.300 0.052 0.000 1.181 166 M CB 0.339 32.935 32.600 -0.007 0.000 1.409 166 M HN 0.407 8.642 8.290 0.092 0.110 0.461 167 E N 0.651 120.876 120.200 0.042 0.000 2.204 167 E HA -0.261 4.136 4.350 0.079 0.000 0.195 167 E C -0.271 176.354 176.600 0.041 0.000 0.990 167 E CA 2.294 58.724 56.400 0.051 0.000 0.821 167 E CB -0.260 29.458 29.700 0.030 0.000 0.750 167 E HN 0.495 8.863 8.360 0.014 0.000 0.477 168 D N -2.243 118.170 120.400 0.021 0.000 2.460 168 D HA 0.131 4.773 4.640 0.002 0.000 0.229 168 D C -1.212 175.101 176.300 0.021 0.000 1.170 168 D CA -0.312 53.694 54.000 0.009 0.000 0.827 168 D CB -0.641 40.157 40.800 -0.004 0.000 0.973 168 D HN -0.409 7.941 8.370 0.012 0.028 0.496 169 S N -1.565 114.166 115.700 0.052 0.000 3.488 169 S HA -0.447 4.108 4.470 0.142 0.000 0.492 169 S C -1.509 173.138 174.600 0.078 0.000 0.779 169 S CA 1.334 59.595 58.200 0.101 0.000 1.378 169 S CB -1.546 61.711 63.200 0.095 0.000 0.924 169 S HN -0.449 7.799 8.310 0.064 0.101 0.719 170 R N 0.805 121.328 120.500 0.038 0.000 2.535 170 R HA 0.226 4.543 4.340 -0.038 0.000 0.274 170 R C -1.944 174.346 176.300 -0.017 0.000 1.090 170 R CA -0.756 55.336 56.100 -0.013 0.000 0.930 170 R CB 3.730 34.024 30.300 -0.010 0.000 1.223 170 R HN -0.449 7.927 8.270 0.059 -0.070 0.441 171 L N 5.169 126.336 121.223 -0.095 0.000 2.319 171 L HA 0.669 5.302 4.340 0.137 -0.210 0.280 171 L C -1.524 175.368 176.870 0.036 0.000 1.099 171 L CA 0.363 55.187 54.840 -0.026 0.000 0.828 171 L CB 0.925 42.795 42.059 -0.316 0.000 1.150 171 L HN 0.454 8.582 8.230 -0.170 0.000 0.442 172 V N 3.592 123.605 119.914 0.166 0.000 2.655 172 V HA 0.490 4.670 4.120 0.100 0.000 0.301 172 V C -0.497 175.786 176.094 0.314 0.000 1.082 172 V CA -2.535 59.871 62.300 0.177 0.000 0.899 172 V CB 2.849 34.744 31.823 0.120 0.000 1.014 172 V HN 0.221 8.564 8.190 0.255 0.000 0.429 173 C N 9.161 128.600 119.300 0.231 0.000 2.950 173 C HA 0.000 4.769 4.460 0.241 -0.164 0.268 173 C C 1.748 176.967 174.990 0.382 0.000 1.447 173 C CA 0.705 59.873 59.018 0.249 0.000 1.952 173 C CB 0.088 27.916 27.740 0.146 0.000 2.092 173 C HN 0.234 8.554 8.230 0.150 0.000 0.673 174 K N 1.874 122.455 120.400 0.302 0.000 2.005 174 K HA -0.325 4.319 4.320 0.540 0.000 0.206 174 K C 2.084 178.806 176.600 0.202 0.000 1.044 174 K CA 4.041 60.525 56.287 0.328 0.000 0.942 174 K CB -0.115 32.515 32.500 0.216 0.000 0.727 174 K HN 0.548 8.920 8.250 0.203 0.000 0.439 175 A N -2.022 120.880 122.820 0.136 0.000 1.978 175 A HA -0.356 4.012 4.320 0.080 0.000 0.220 175 A C 1.747 179.386 177.584 0.091 0.000 1.170 175 A CA 2.778 54.870 52.037 0.092 0.000 0.636 175 A CB -1.023 18.016 19.000 0.065 0.000 0.810 175 A HN 0.374 8.600 8.150 0.127 0.000 0.448 176 D N -2.537 117.928 120.400 0.109 0.000 2.224 176 D HA -0.257 4.409 4.640 0.043 0.000 0.205 176 D C 1.631 177.970 176.300 0.066 0.000 0.965 176 D CA 3.536 57.581 54.000 0.075 0.000 0.852 176 D CB -0.029 40.815 40.800 0.073 0.000 0.947 176 D HN -0.097 8.333 8.370 0.133 0.020 0.494 177 Y N 1.691 121.979 120.300 -0.019 0.000 2.036 177 Y HA -0.515 3.973 4.550 -0.103 0.000 0.273 177 Y C 1.371 177.207 175.900 -0.108 0.000 1.135 177 Y CA 4.100 62.130 58.100 -0.116 0.000 1.106 177 Y CB 0.033 38.305 38.460 -0.312 0.000 0.976 177 Y HN -0.771 7.525 8.280 0.259 0.140 0.483 178 E N -2.979 117.316 120.200 0.158 0.000 2.058 178 E HA -0.336 3.933 4.350 0.086 0.133 0.194 178 E C 2.228 178.833 176.600 0.007 0.000 0.997 178 E CA 2.967 59.411 56.400 0.074 0.000 0.801 178 E CB -0.398 29.338 29.700 0.061 0.000 0.746 178 E HN -0.545 7.932 8.360 0.195 0.000 0.450 179 T N -0.104 114.457 114.554 0.011 0.000 2.849 179 T HA -0.264 4.083 4.350 -0.005 0.000 0.270 179 T C 0.916 175.596 174.700 -0.034 0.000 1.066 179 T CA 2.828 64.924 62.100 -0.006 0.000 1.130 179 T CB 0.096 68.968 68.868 0.006 0.000 0.864 179 T HN -0.524 7.737 8.240 0.035 0.000 0.481 180 A N 0.602 123.383 122.820 -0.065 0.000 1.855 180 A HA -0.048 4.228 4.320 -0.074 0.000 0.213 180 A C 0.370 177.881 177.584 -0.122 0.000 1.195 180 A CA 1.733 53.707 52.037 -0.104 0.000 0.610 180 A CB 0.538 19.442 19.000 -0.159 0.000 0.837 180 A HN -0.132 7.744 8.150 -0.061 0.237 0.444 181 K N -3.942 116.361 120.400 -0.161 0.000 2.971 181 K HA 0.137 4.400 4.320 -0.094 0.000 0.223 181 K C -0.125 176.421 176.600 -0.090 0.000 1.864 181 K CA -0.416 55.790 56.287 -0.136 0.000 1.245 181 K CB 1.502 33.889 32.500 -0.187 0.000 2.182 181 K HN -0.137 7.996 8.250 -0.195 0.000 0.504 182 Q N 0.000 119.741 119.800 -0.099 0.000 2.315 182 Q HA 0.000 4.350 4.340 0.016 0.000 0.214 182 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 182 Q CB 0.000 28.874 28.738 0.227 0.000 1.108 182 Q HN 0.000 8.128 8.270 -0.237 0.000 0.481