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 1aje_1_A DATA FIRST_RESID -7 DATA SEQUENCE GSKIISAXMQ TIKCVVVGDG AVGKTCLLIS YTTNKFPSEY VPTVFDNYAV DATA SEQUENCE TVMIGGEPYT LGLFDTAGQE DYDRLRPLSY PQTDVFLVCF SVVSPSSFEN DATA SEQUENCE VKEKWVPEIT HHCPKTPFLL VGTQIDLRDD PSTIEKLAKN KQKPITPETA DATA SEQUENCE EKLARDLKAV KYVECSALTQ KGLKNVFDEA ILAALEPPEP KKSRR 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 -7 G HA2 0.000 nan 3.960 nan 0.000 0.244 -7 G HA3 0.000 3.968 3.960 0.014 0.000 0.244 -7 G C 0.000 174.911 174.900 0.018 0.000 0.946 -7 G CA 0.000 45.109 45.100 0.015 0.000 0.502 -6 S N 1.723 117.435 115.700 0.021 0.000 2.563 -6 S HA -0.037 4.449 4.470 0.027 0.000 0.284 -6 S C 0.561 175.179 174.600 0.029 0.000 1.331 -6 S CA 0.103 58.319 58.200 0.027 0.000 1.047 -6 S CB 0.863 64.082 63.200 0.032 0.000 0.859 -6 S HN -0.215 8.106 8.310 0.019 0.000 0.514 -5 K N 3.739 124.158 120.400 0.031 0.000 2.285 -5 K HA -0.209 4.125 4.320 0.024 0.000 0.255 -5 K C -0.110 176.509 176.600 0.032 0.000 1.000 -5 K CA 0.336 56.640 56.287 0.028 0.000 0.887 -5 K CB 0.504 33.021 32.500 0.028 0.000 0.997 -5 K HN 0.221 8.491 8.250 0.033 0.000 0.510 -4 I N 0.571 121.157 120.570 0.027 0.000 3.392 -4 I HA -0.310 3.876 4.170 0.027 0.000 0.286 -4 I C 1.053 177.193 176.117 0.038 0.000 1.286 -4 I CA 0.945 62.262 61.300 0.028 0.000 1.359 -4 I CB 0.313 38.325 38.000 0.021 0.000 1.335 -4 I HN -0.119 8.105 8.210 0.022 0.000 0.602 -3 I N 2.772 123.367 120.570 0.042 0.000 3.632 -3 I HA -0.342 3.877 4.170 0.082 0.000 0.263 -3 I C -0.314 175.834 176.117 0.052 0.000 1.338 -3 I CA 1.896 63.232 61.300 0.061 0.000 1.266 -3 I CB 0.028 38.058 38.000 0.051 0.000 1.369 -3 I HN 0.033 8.264 8.210 0.035 0.000 0.650 -2 S N 0.955 116.693 115.700 0.063 0.000 3.633 -2 S HA -0.400 4.066 4.470 -0.107 -0.061 0.637 -2 S C -1.398 173.198 174.600 -0.007 0.000 2.289 -2 S CA 1.339 59.525 58.200 -0.023 0.000 2.476 -2 S CB 0.502 63.683 63.200 -0.033 0.000 0.330 -2 S HN 0.137 8.490 8.310 0.110 0.023 1.787 2 Q N 2.284 122.224 119.800 0.233 0.000 2.449 2 Q HA -0.203 4.202 4.340 0.109 0.000 0.214 2 Q C -1.109 174.953 176.000 0.103 0.000 0.986 2 Q CA 1.438 57.331 55.803 0.150 0.000 0.893 2 Q CB 0.040 28.868 28.738 0.149 0.000 0.940 2 Q HN 0.408 8.907 8.270 0.407 0.015 0.477 3 T N -5.334 109.292 114.554 0.120 0.000 0.732 3 T HA -0.335 4.067 4.350 0.086 0.000 0.754 3 T C -1.778 172.947 174.700 0.042 0.000 0.989 3 T CA 1.405 63.552 62.100 0.079 0.000 3.981 3 T CB -0.513 68.394 68.868 0.064 0.000 2.250 3 T HN -0.363 7.906 8.240 0.170 0.073 0.392 4 I N 5.416 125.998 120.570 0.020 0.000 2.437 4 I HA 0.027 4.159 4.170 -0.063 0.000 0.279 4 I C -1.349 174.722 176.117 -0.076 0.000 1.028 4 I CA -1.008 60.260 61.300 -0.053 0.000 1.142 4 I CB 1.336 39.285 38.000 -0.085 0.000 1.266 4 I HN 1.098 9.198 8.210 0.041 0.134 0.461 5 K N 8.509 128.881 120.400 -0.048 0.000 2.338 5 K HA 0.215 4.679 4.320 0.016 -0.135 0.290 5 K C -0.901 175.654 176.600 -0.074 0.000 1.069 5 K CA -1.737 54.555 56.287 0.008 0.000 0.941 5 K CB -1.126 31.436 32.500 0.103 0.000 1.023 5 K HN 1.341 9.565 8.250 -0.043 0.000 0.477 6 C N 4.324 123.546 119.300 -0.129 0.000 2.330 6 C HA -0.101 4.297 4.460 -0.223 -0.072 0.344 6 C C -2.436 172.521 174.990 -0.056 0.000 1.273 6 C CA 0.309 59.218 59.018 -0.182 0.000 1.879 6 C CB 1.950 29.495 27.740 -0.324 0.000 2.376 6 C HN 1.035 9.035 8.230 -0.169 0.129 0.534 7 V N 7.539 127.452 119.914 -0.001 0.000 2.288 7 V HA 0.269 4.643 4.120 0.110 -0.188 0.266 7 V C -0.568 175.561 176.094 0.057 0.000 1.048 7 V CA -0.819 61.540 62.300 0.098 0.000 0.842 7 V CB 0.623 32.587 31.823 0.236 0.000 1.064 7 V HN 0.827 8.850 8.190 -0.064 0.129 0.472 8 V N 11.137 131.042 119.914 -0.014 0.000 2.470 8 V HA -0.061 4.215 4.120 -0.003 -0.158 0.276 8 V C -0.743 175.285 176.094 -0.110 0.000 1.040 8 V CA 0.518 62.793 62.300 -0.042 0.000 1.008 8 V CB 0.249 32.031 31.823 -0.068 0.000 0.990 8 V HN -0.076 8.101 8.190 -0.021 0.000 0.477 9 V N 2.814 122.640 119.914 -0.146 0.000 2.628 9 V HA 0.407 4.291 4.120 -0.393 0.000 0.306 9 V C -0.733 174.782 176.094 -0.965 0.000 1.045 9 V CA -2.624 59.439 62.300 -0.394 0.000 0.905 9 V CB 1.914 33.582 31.823 -0.258 0.000 0.997 9 V HN -0.201 7.973 8.190 -0.027 0.000 0.436 10 G N 4.226 112.140 108.800 -1.477 0.000 2.756 10 G HA2 -0.345 2.366 3.960 -2.082 0.000 0.678 10 G HA3 -0.345 -0.246 3.960 -6.435 0.000 0.678 10 G C -1.292 172.970 174.900 -1.064 0.000 1.349 10 G CA 0.220 43.686 45.100 -2.723 0.000 0.847 10 G HN 0.085 7.780 8.290 -0.992 0.000 0.548 11 D N 0.930 121.132 120.400 -0.329 0.000 2.626 11 D HA 0.015 4.641 4.640 -0.024 0.000 0.274 11 D C -0.116 176.386 176.300 0.337 0.000 1.045 11 D CA 1.492 55.530 54.000 0.063 0.000 0.925 11 D CB 1.929 42.770 40.800 0.069 0.000 1.260 11 D HN 0.158 8.545 8.370 0.029 0.000 0.490 12 G N -1.374 107.763 108.800 0.562 0.000 3.129 12 G HA2 -0.354 3.749 3.960 0.239 0.000 0.304 12 G HA3 -0.354 3.842 3.960 0.394 0.000 0.304 12 G C 0.171 175.202 174.900 0.218 0.000 0.679 12 G CA 0.167 45.483 45.100 0.359 0.000 0.812 12 G HN -0.202 8.531 8.290 0.738 0.000 0.409 13 A N 3.920 126.832 122.820 0.154 0.000 2.765 13 A HA -0.457 3.923 4.320 0.100 0.000 0.286 13 A C -0.031 177.626 177.584 0.121 0.000 1.457 13 A CA 0.898 53.008 52.037 0.122 0.000 0.899 13 A CB -0.691 18.383 19.000 0.123 0.000 0.983 13 A HN -0.050 8.179 8.150 0.132 0.000 0.584 14 V N -6.441 113.550 119.914 0.128 0.000 3.919 14 V HA -0.494 3.684 4.120 0.098 0.000 0.203 14 V C -0.227 175.929 176.094 0.104 0.000 0.540 14 V CA 1.114 63.476 62.300 0.103 0.000 0.950 14 V CB -2.436 29.435 31.823 0.080 0.000 1.024 14 V HN 0.210 8.442 8.190 0.151 0.049 1.096 15 G N -3.597 105.278 108.800 0.125 0.000 4.828 15 G HA2 0.130 4.164 3.960 0.123 0.000 0.294 15 G HA3 0.130 4.172 3.960 0.138 0.000 0.294 15 G C -0.854 174.131 174.900 0.141 0.000 1.288 15 G CA -0.243 44.937 45.100 0.132 0.000 0.987 15 G HN -0.418 7.922 8.290 0.143 0.036 0.587 16 K N -0.394 120.081 120.400 0.125 0.000 2.400 16 K HA 0.109 4.515 4.320 0.144 0.000 0.194 16 K C 0.995 177.662 176.600 0.113 0.000 1.033 16 K CA 0.772 57.132 56.287 0.122 0.000 1.021 16 K CB -0.456 32.099 32.500 0.092 0.000 0.808 16 K HN 0.025 8.340 8.250 0.107 0.000 0.505 17 T N 2.730 117.351 114.554 0.111 0.000 2.595 17 T HA -0.261 4.142 4.350 0.088 0.000 0.264 17 T C 1.621 176.408 174.700 0.144 0.000 1.058 17 T CA 5.481 67.647 62.100 0.110 0.000 1.166 17 T CB -0.504 68.427 68.868 0.104 0.000 0.863 17 T HN -0.003 8.254 8.240 0.109 0.049 0.415 18 C N 0.215 119.635 119.300 0.200 0.000 2.392 18 C HA -0.392 4.251 4.460 0.306 0.000 0.276 18 C C 1.174 176.287 174.990 0.205 0.000 1.212 18 C CA 3.156 62.350 59.018 0.294 0.000 1.791 18 C CB -0.570 27.443 27.740 0.455 0.000 2.063 18 C HN -0.053 8.299 8.230 0.204 0.000 0.481 19 L N 2.660 123.986 121.223 0.172 0.000 1.948 19 L HA -0.203 4.238 4.340 0.168 0.000 0.212 19 L C 1.909 178.924 176.870 0.241 0.000 1.074 19 L CA 2.382 57.333 54.840 0.185 0.000 0.753 19 L CB -0.444 41.718 42.059 0.173 0.000 0.888 19 L HN -0.391 7.825 8.230 0.165 0.113 0.432 20 L N -2.840 118.512 121.223 0.216 0.000 2.064 20 L HA -0.500 4.180 4.340 0.568 0.000 0.216 20 L C 2.428 179.451 176.870 0.255 0.000 1.077 20 L CA 3.290 58.345 54.840 0.359 0.000 0.766 20 L CB -1.400 40.767 42.059 0.181 0.000 0.890 20 L HN -0.693 7.629 8.230 0.153 0.000 0.435 21 I N -1.816 118.798 120.570 0.074 0.000 2.069 21 I HA -0.493 3.522 4.170 -0.260 0.000 0.237 21 I C 2.822 178.816 176.117 -0.204 0.000 1.053 21 I CA 1.843 63.037 61.300 -0.178 0.000 1.311 21 I CB -2.046 35.830 38.000 -0.207 0.000 1.030 21 I HN 0.085 8.355 8.210 0.104 0.003 0.398 22 S N 1.341 117.014 115.700 -0.045 0.000 2.423 22 S HA -0.251 4.190 4.470 -0.102 -0.033 0.231 22 S C 3.104 177.721 174.600 0.028 0.000 1.014 22 S CA 2.922 61.099 58.200 -0.037 0.000 0.965 22 S CB -0.101 63.101 63.200 0.003 0.000 0.785 22 S HN 0.094 8.429 8.310 0.042 0.000 0.495 23 Y N 3.668 124.040 120.300 0.120 0.000 2.315 23 Y HA -0.192 4.762 4.550 0.674 0.000 0.288 23 Y C 0.247 176.277 175.900 0.217 0.000 1.154 23 Y CA 2.531 60.856 58.100 0.376 0.000 1.229 23 Y CB -0.213 38.416 38.460 0.282 0.000 0.980 23 Y HN 0.582 8.820 8.280 0.312 0.230 0.540 24 T N -3.906 110.290 114.554 -0.597 0.000 3.019 24 T HA 0.131 4.183 4.350 -0.496 0.000 0.247 24 T C 1.336 175.926 174.700 -0.184 0.000 0.992 24 T CA 1.317 63.099 62.100 -0.530 0.000 1.036 24 T CB 1.441 69.972 68.868 -0.562 0.000 1.063 24 T HN -0.399 7.444 8.240 -0.392 0.161 0.476 25 T N -0.303 114.132 114.554 -0.199 0.000 3.040 25 T HA 0.099 4.428 4.350 -0.035 0.000 0.266 25 T C 0.241 174.882 174.700 -0.097 0.000 1.005 25 T CA -0.389 61.637 62.100 -0.123 0.000 0.906 25 T CB 1.282 70.011 68.868 -0.231 0.000 1.082 25 T HN 0.058 8.003 8.240 -0.277 0.128 0.531 26 N N 0.322 118.959 118.700 -0.105 0.000 2.661 26 N HA -0.445 4.257 4.740 -0.074 -0.006 0.249 26 N C -1.643 173.866 175.510 -0.002 0.000 1.142 26 N CA 2.081 55.094 53.050 -0.062 0.000 0.727 26 N CB -0.664 37.791 38.487 -0.053 0.000 1.099 26 N HN -0.118 8.010 8.380 -0.123 0.178 0.558 27 K N -1.523 118.853 120.400 -0.040 0.000 2.646 27 K HA 0.200 4.652 4.320 0.221 0.000 0.210 27 K C -1.380 175.254 176.600 0.057 0.000 1.020 27 K CA -2.067 54.285 56.287 0.108 0.000 1.040 27 K CB 0.867 33.500 32.500 0.221 0.000 1.253 27 K HN -0.820 7.257 8.250 -0.196 0.055 0.532 28 F N 3.410 123.325 119.950 -0.058 0.000 2.378 28 F HA 0.077 4.536 4.527 -0.113 0.000 0.290 28 F C -0.846 175.020 175.800 0.110 0.000 1.282 28 F CA -2.226 55.758 58.000 -0.026 0.000 1.278 28 F CB -1.890 37.114 39.000 0.006 0.000 1.364 28 F HN -0.083 8.598 8.300 0.635 0.000 0.514 29 P HA -0.183 4.359 4.420 -0.085 -0.173 0.231 29 P C 1.737 178.619 177.300 -0.697 0.000 1.154 29 P CA 1.775 64.631 63.100 -0.407 0.000 0.762 29 P CB -0.559 31.020 31.700 -0.201 0.000 0.790 30 S N -0.376 114.455 115.700 -1.448 0.000 2.402 30 S HA -0.188 3.989 4.470 -0.488 0.000 0.233 30 S C 0.287 174.728 174.600 -0.264 0.000 1.030 30 S CA 2.656 60.448 58.200 -0.679 0.000 1.003 30 S CB 0.083 63.053 63.200 -0.384 0.000 0.813 30 S HN 0.227 6.758 8.310 -2.826 0.083 0.477 31 E N -2.785 117.312 120.200 -0.171 0.000 4.120 31 E HA 0.155 4.446 4.350 -0.099 0.000 0.202 31 E C -1.956 174.619 176.600 -0.042 0.000 1.067 31 E CA -0.225 56.137 56.400 -0.064 0.000 1.424 31 E CB 1.189 30.888 29.700 -0.002 0.000 1.164 31 E HN -0.594 7.629 8.360 -0.207 0.013 0.439 32 Y N -1.666 118.545 120.300 -0.149 0.000 2.519 32 Y HA 0.184 4.700 4.550 -0.056 0.000 0.336 32 Y C -2.245 173.611 175.900 -0.074 0.000 1.089 32 Y CA 0.419 58.467 58.100 -0.085 0.000 1.025 32 Y CB 4.014 42.436 38.460 -0.064 0.000 1.318 32 Y HN -0.622 7.526 8.280 -0.046 0.105 0.452 33 V N -0.592 119.354 119.914 0.052 0.000 3.147 33 V HA 0.403 4.562 4.120 0.065 0.000 0.299 33 V C -2.316 173.813 176.094 0.057 0.000 1.302 33 V CA -3.920 58.406 62.300 0.044 0.000 1.015 33 V CB 2.202 34.015 31.823 -0.016 0.000 1.086 33 V HN 0.156 8.324 8.190 -0.036 0.000 0.437 34 P HA 0.256 4.724 4.420 0.079 0.000 0.256 34 P C -1.202 176.122 177.300 0.039 0.000 1.688 34 P CA 0.256 63.392 63.100 0.059 0.000 1.162 34 P CB -1.102 30.630 31.700 0.052 0.000 1.870 35 T N -0.424 114.147 114.554 0.029 0.000 3.091 35 T HA 0.075 4.438 4.350 0.021 0.000 0.277 35 T C -0.478 174.240 174.700 0.030 0.000 0.996 35 T CA -0.546 61.563 62.100 0.016 0.000 0.897 35 T CB 0.723 69.581 68.868 -0.016 0.000 1.109 35 T HN 0.218 8.451 8.240 0.030 0.024 0.534 36 V N -0.316 119.630 119.914 0.054 0.000 3.188 36 V HA 0.222 4.394 4.120 0.087 0.000 0.305 36 V C -2.319 173.869 176.094 0.158 0.000 1.232 36 V CA -1.701 60.651 62.300 0.086 0.000 1.043 36 V CB 2.540 34.387 31.823 0.041 0.000 1.068 36 V HN -0.895 7.276 8.190 0.058 0.053 0.439 37 F N 3.058 123.006 119.950 -0.004 0.000 2.629 37 F HA -0.154 4.390 4.527 0.027 0.000 0.369 37 F C -0.785 175.031 175.800 0.028 0.000 1.125 37 F CA 0.773 58.781 58.000 0.014 0.000 1.330 37 F CB 0.781 39.783 39.000 0.002 0.000 1.071 37 F HN -0.055 8.422 8.300 0.294 0.000 0.595 38 D N 3.829 123.994 120.400 -0.392 0.000 2.808 38 D HA 0.051 4.700 4.640 0.016 0.000 0.249 38 D C -1.339 174.845 176.300 -0.195 0.000 1.151 38 D CA -1.281 52.643 54.000 -0.127 0.000 1.089 38 D CB 1.834 42.625 40.800 -0.015 0.000 1.295 38 D HN -0.097 7.843 8.370 -0.717 0.000 0.631 39 N N -0.887 117.836 118.700 0.039 0.000 2.413 39 N HA -0.445 4.111 4.740 -0.306 0.000 0.282 39 N C -2.481 173.033 175.510 0.007 0.000 1.368 39 N CA 0.980 53.930 53.050 -0.167 0.000 0.627 39 N CB -0.554 37.755 38.487 -0.297 0.000 0.899 39 N HN 0.309 8.772 8.380 0.138 0.000 0.517 40 Y N -3.773 116.405 120.300 -0.204 0.000 2.750 40 Y HA 0.183 4.661 4.550 -0.120 0.000 0.335 40 Y C -2.515 173.379 175.900 -0.010 0.000 1.252 40 Y CA -2.204 55.832 58.100 -0.106 0.000 1.064 40 Y CB 0.754 39.182 38.460 -0.053 0.000 1.321 40 Y HN -0.617 7.322 8.280 -0.568 0.000 0.451 41 A N 0.317 123.196 122.820 0.099 0.000 2.319 41 A HA 1.023 5.711 4.320 0.132 -0.289 0.310 41 A C -1.048 176.643 177.584 0.179 0.000 1.152 41 A CA -1.129 50.971 52.037 0.105 0.000 0.783 41 A CB 1.986 21.024 19.000 0.064 0.000 1.184 41 A HN 0.015 8.278 8.150 0.189 0.000 0.474 42 V N 0.015 120.041 119.914 0.187 0.000 3.211 42 V HA 0.448 4.655 4.120 0.145 0.000 0.319 42 V C -0.959 175.221 176.094 0.143 0.000 1.096 42 V CA -2.940 59.445 62.300 0.141 0.000 1.029 42 V CB 1.836 33.686 31.823 0.045 0.000 1.137 42 V HN -0.087 8.266 8.190 0.272 0.000 0.453 43 T N 3.998 118.615 114.554 0.105 0.000 2.758 43 T HA 0.123 4.699 4.350 0.113 -0.158 0.285 43 T C -0.786 173.973 174.700 0.097 0.000 0.981 43 T CA -0.233 61.922 62.100 0.091 0.000 0.965 43 T CB 0.547 69.441 68.868 0.042 0.000 0.927 43 T HN -0.075 8.216 8.240 0.085 0.000 0.448 44 V N 3.378 123.380 119.914 0.146 0.000 3.406 44 V HA 0.497 4.699 4.120 0.137 0.000 0.305 44 V C -1.747 174.412 176.094 0.109 0.000 1.136 44 V CA -2.597 59.804 62.300 0.169 0.000 1.011 44 V CB 1.838 33.843 31.823 0.303 0.000 1.221 44 V HN 0.343 8.536 8.190 0.175 0.102 0.454 45 M N -1.899 117.777 119.600 0.128 0.000 2.149 45 M HA 0.644 5.460 4.480 0.007 -0.332 0.273 45 M C -0.015 176.375 176.300 0.150 0.000 0.972 45 M CA -0.673 54.675 55.300 0.080 0.000 0.984 45 M CB 2.240 34.855 32.600 0.025 0.000 1.699 45 M HN -0.221 8.160 8.290 0.152 0.000 0.462 46 I N 4.397 125.112 120.570 0.243 0.000 2.130 46 I HA -0.165 4.111 4.170 0.176 0.000 0.234 46 I C 0.818 177.009 176.117 0.123 0.000 1.067 46 I CA 1.755 63.180 61.300 0.209 0.000 1.339 46 I CB 0.741 38.918 38.000 0.295 0.000 1.073 46 I HN -0.233 8.173 8.210 0.328 0.000 0.405 47 G N -3.825 105.045 108.800 0.117 0.000 4.552 47 G HA2 0.076 4.066 3.960 0.051 0.000 0.281 47 G HA3 0.076 4.074 3.960 0.064 0.000 0.281 47 G C -0.660 174.267 174.900 0.043 0.000 1.037 47 G CA -0.071 45.069 45.100 0.066 0.000 0.806 47 G HN -0.117 8.269 8.290 0.161 0.000 0.495 48 G N -2.063 106.755 108.800 0.029 0.000 2.183 48 G HA2 -0.220 3.731 3.960 -0.014 0.000 0.168 48 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.168 48 G C -1.640 173.227 174.900 -0.054 0.000 1.008 48 G CA -0.266 44.829 45.100 -0.008 0.000 0.677 48 G HN -0.211 8.103 8.290 0.041 0.000 0.498 49 E N -0.606 119.541 120.200 -0.087 0.000 2.187 49 E HA 0.563 4.764 4.350 -0.249 0.000 0.268 49 E C -2.177 173.999 176.600 -0.708 0.000 0.896 49 E CA -4.090 52.120 56.400 -0.317 0.000 0.766 49 E CB 0.969 30.596 29.700 -0.120 0.000 1.142 49 E HN -0.266 8.091 8.360 -0.005 0.000 0.408 50 P HA 0.923 5.466 4.420 -0.355 -0.336 0.290 50 P C -1.381 175.399 177.300 -0.865 0.000 1.276 50 P CA -1.635 61.130 63.100 -0.557 0.000 0.808 50 P CB 1.060 32.608 31.700 -0.253 0.000 0.966 51 Y N 1.409 121.735 120.300 0.044 0.000 2.317 51 Y HA 0.207 4.772 4.550 0.024 0.000 0.325 51 Y C -0.752 175.173 175.900 0.043 0.000 1.066 51 Y CA -1.330 56.790 58.100 0.033 0.000 1.203 51 Y CB 2.921 41.396 38.460 0.025 0.000 1.127 51 Y HN 0.163 8.402 8.280 -0.069 0.000 0.451 52 T N 6.678 121.331 114.554 0.164 0.000 2.926 52 T HA 0.442 5.085 4.350 0.134 -0.213 0.307 52 T C -0.563 174.202 174.700 0.108 0.000 1.059 52 T CA 0.960 63.137 62.100 0.128 0.000 1.122 52 T CB 0.640 69.567 68.868 0.098 0.000 0.972 52 T HN 0.444 8.772 8.240 0.148 0.000 0.545 53 L N 4.826 126.123 121.223 0.122 0.000 2.372 53 L HA 0.509 5.045 4.340 -0.069 -0.237 0.273 53 L C -0.586 176.263 176.870 -0.036 0.000 0.989 53 L CA -1.523 53.313 54.840 -0.006 0.000 0.841 53 L CB 1.496 43.526 42.059 -0.047 0.000 1.225 53 L HN 0.972 9.290 8.230 0.186 0.024 0.414 54 G N 4.456 113.193 108.800 -0.106 0.000 2.475 54 G HA2 0.326 4.440 3.960 -0.155 0.000 0.322 54 G HA3 0.326 4.241 3.960 -0.076 0.000 0.322 54 G C -1.386 173.311 174.900 -0.338 0.000 1.044 54 G CA -0.883 44.118 45.100 -0.165 0.000 1.047 54 G HN 1.026 9.123 8.290 -0.087 0.141 0.436 55 L N 5.302 126.219 121.223 -0.509 0.000 2.380 55 L HA 0.139 4.345 4.340 -0.447 -0.134 0.273 55 L C -1.596 174.937 176.870 -0.562 0.000 1.138 55 L CA 0.267 54.790 54.840 -0.528 0.000 0.832 55 L CB 0.273 41.977 42.059 -0.593 0.000 1.124 55 L HN -0.380 7.597 8.230 -0.422 0.000 0.454 56 F N 2.593 122.445 119.950 -0.164 0.000 2.579 56 F HA 0.165 4.636 4.527 -0.093 0.000 0.325 56 F C -1.515 174.224 175.800 -0.102 0.000 1.162 56 F CA -0.977 56.959 58.000 -0.107 0.000 0.946 56 F CB 3.130 42.080 39.000 -0.083 0.000 1.211 56 F HN 0.745 9.010 8.300 -0.059 0.000 0.447 57 D N 2.534 122.996 120.400 0.103 0.000 2.541 57 D HA 0.341 4.970 4.640 -0.019 0.000 0.276 57 D C 0.655 176.965 176.300 0.016 0.000 1.190 57 D CA -1.655 52.353 54.000 0.014 0.000 1.095 57 D CB 0.545 41.331 40.800 -0.024 0.000 1.173 57 D HN 0.029 8.458 8.370 0.099 0.000 0.604 58 T N -2.578 111.955 114.554 -0.034 0.000 2.680 58 T HA -0.164 4.151 4.350 -0.057 0.000 0.314 58 T C 0.303 174.997 174.700 -0.011 0.000 1.045 58 T CA -0.066 62.009 62.100 -0.043 0.000 1.025 58 T CB 0.303 69.132 68.868 -0.065 0.000 1.000 58 T HN -0.147 8.060 8.240 -0.055 0.000 0.535 59 A N -0.050 122.757 122.820 -0.020 0.000 2.180 59 A HA -0.160 4.164 4.320 0.007 0.000 0.287 59 A C -0.131 177.440 177.584 -0.022 0.000 1.417 59 A CA 0.688 52.716 52.037 -0.014 0.000 0.858 59 A CB -0.035 18.947 19.000 -0.030 0.000 1.208 59 A HN 0.036 8.167 8.150 -0.033 0.000 0.522 60 G N -2.623 106.148 108.800 -0.048 0.000 2.565 60 G HA2 -0.116 3.801 3.960 -0.073 0.000 0.156 60 G HA3 -0.116 3.828 3.960 -0.028 0.000 0.156 60 G C -1.332 173.549 174.900 -0.032 0.000 1.074 60 G CA -0.500 44.572 45.100 -0.048 0.000 0.804 60 G HN -0.054 8.192 8.290 -0.073 0.000 0.496 61 Q N 0.336 120.096 119.800 -0.066 0.000 2.295 61 Q HA 0.357 4.717 4.340 0.034 0.000 0.259 61 Q C 0.407 176.362 176.000 -0.074 0.000 0.966 61 Q CA -0.829 54.966 55.803 -0.014 0.000 0.763 61 Q CB 1.382 30.143 28.738 0.039 0.000 1.283 61 Q HN -0.344 7.847 8.270 -0.133 0.000 0.445 62 E N 6.723 126.903 120.200 -0.034 0.000 2.114 62 E HA -0.396 3.891 4.350 -0.105 0.000 0.199 62 E C 0.167 176.782 176.600 0.024 0.000 1.008 62 E CA 2.510 58.888 56.400 -0.037 0.000 0.810 62 E CB -0.224 29.488 29.700 0.020 0.000 0.739 62 E HN 0.646 9.012 8.360 0.009 0.000 0.456 63 D N -3.340 117.101 120.400 0.069 0.000 2.239 63 D HA -0.264 4.447 4.640 0.117 0.000 0.202 63 D C -0.564 175.863 176.300 0.211 0.000 0.993 63 D CA 0.716 54.789 54.000 0.121 0.000 0.874 63 D CB 0.065 40.933 40.800 0.113 0.000 0.922 63 D HN -0.270 8.130 8.370 0.068 0.011 0.464 64 Y N -2.019 118.309 120.300 0.047 0.000 2.861 64 Y HA -0.368 4.202 4.550 0.034 0.000 0.091 64 Y C -1.413 174.507 175.900 0.033 0.000 1.957 64 Y CA -0.062 58.059 58.100 0.035 0.000 1.092 64 Y CB -2.425 36.051 38.460 0.028 0.000 1.742 64 Y HN -0.033 8.101 8.280 0.028 0.163 0.314 65 D N 1.407 121.941 120.400 0.224 0.000 2.361 65 D HA -0.079 4.634 4.640 0.121 0.000 0.239 65 D C 0.685 177.066 176.300 0.135 0.000 1.200 65 D CA 0.484 54.569 54.000 0.142 0.000 0.915 65 D CB 0.715 41.569 40.800 0.088 0.000 1.170 65 D HN 0.039 8.511 8.370 0.169 0.000 0.444 66 R N -0.388 120.161 120.500 0.082 0.000 2.641 66 R HA -0.159 4.207 4.340 0.044 0.000 0.269 66 R C 0.645 176.981 176.300 0.060 0.000 1.074 66 R CA 0.139 56.272 56.100 0.056 0.000 1.133 66 R CB 0.392 30.713 30.300 0.036 0.000 1.029 66 R HN 0.121 8.433 8.270 0.070 0.000 0.488 67 L N 0.729 121.981 121.223 0.048 0.000 2.129 67 L HA -0.282 4.096 4.340 0.062 0.000 0.212 67 L C 0.722 177.632 176.870 0.067 0.000 1.087 67 L CA 1.949 56.822 54.840 0.053 0.000 0.757 67 L CB -0.248 41.832 42.059 0.035 0.000 0.896 67 L HN 0.082 8.331 8.230 0.030 0.000 0.434 68 R N -2.309 118.235 120.500 0.073 0.000 2.320 68 R HA 0.287 4.739 4.340 0.187 0.000 0.319 68 R C -2.087 174.297 176.300 0.141 0.000 0.969 68 R CA -2.798 53.387 56.100 0.141 0.000 0.857 68 R CB 0.768 31.126 30.300 0.097 0.000 1.160 68 R HN -0.512 7.768 8.270 0.051 0.022 0.491 69 P HA 0.101 4.554 4.420 0.055 0.000 0.272 69 P C -0.437 176.973 177.300 0.183 0.000 1.230 69 P CA -0.719 62.435 63.100 0.089 0.000 0.788 69 P CB 1.002 32.687 31.700 -0.025 0.000 0.949 70 L N -0.595 120.694 121.223 0.110 0.000 2.653 70 L HA 0.046 4.471 4.340 0.142 0.000 0.232 70 L C 0.498 177.450 176.870 0.137 0.000 1.169 70 L CA 0.997 55.911 54.840 0.124 0.000 0.951 70 L CB -0.813 41.282 42.059 0.060 0.000 1.181 70 L HN 0.059 8.326 8.230 0.062 0.000 0.460 71 S N -3.068 112.694 115.700 0.103 0.000 2.671 71 S HA -0.094 4.404 4.470 0.047 0.000 0.220 71 S C 0.561 175.192 174.600 0.053 0.000 0.951 71 S CA 0.291 58.511 58.200 0.035 0.000 0.932 71 S CB -0.142 63.007 63.200 -0.085 0.000 0.777 71 S HN -0.217 8.045 8.310 0.082 0.097 0.508 72 Y N 2.344 122.632 120.300 -0.020 0.000 2.114 72 Y HA -0.305 4.244 4.550 -0.002 0.000 0.282 72 Y C -0.256 175.644 175.900 0.001 0.000 1.165 72 Y CA 3.659 61.755 58.100 -0.007 0.000 1.148 72 Y CB -1.842 36.612 38.460 -0.009 0.000 0.972 72 Y HN -0.552 7.894 8.280 0.447 0.102 0.504 73 P HA 0.105 4.578 4.420 0.088 0.000 0.238 73 P C -1.324 176.008 177.300 0.054 0.000 1.794 73 P CA -0.368 62.787 63.100 0.093 0.000 1.088 73 P CB -1.492 30.256 31.700 0.080 0.000 1.923 74 Q N 1.209 121.027 119.800 0.030 0.000 2.653 74 Q HA 0.179 4.531 4.340 0.020 0.000 0.373 74 Q C -0.270 175.718 176.000 -0.020 0.000 0.661 74 Q CA -1.052 54.757 55.803 0.011 0.000 0.932 74 Q CB 2.068 30.813 28.738 0.012 0.000 1.119 74 Q HN -0.281 7.966 8.270 0.025 0.037 0.489 75 T N -2.854 111.675 114.554 -0.040 0.000 3.065 75 T HA -0.049 4.246 4.350 -0.092 0.000 0.234 75 T C -0.351 174.248 174.700 -0.168 0.000 1.017 75 T CA 0.831 62.873 62.100 -0.097 0.000 1.292 75 T CB 0.711 69.524 68.868 -0.091 0.000 1.005 75 T HN 0.158 8.385 8.240 -0.021 0.000 0.423 76 D N 0.386 120.684 120.400 -0.170 0.000 2.990 76 D HA -0.380 4.241 4.640 -0.129 -0.058 0.245 76 D C -0.731 175.155 176.300 -0.690 0.000 1.120 76 D CA 0.523 54.389 54.000 -0.223 0.000 0.838 76 D CB -1.888 38.859 40.800 -0.089 0.000 1.000 76 D HN 0.139 8.516 8.370 -0.112 -0.075 0.420 77 V N -5.690 113.829 119.914 -0.659 0.000 3.489 77 V HA -0.121 3.257 4.120 -1.237 0.000 0.297 77 V C -0.242 175.183 176.094 -1.115 0.000 1.071 77 V CA -0.519 61.197 62.300 -0.973 0.000 1.074 77 V CB 0.612 32.163 31.823 -0.453 0.000 1.188 77 V HN 0.320 8.165 8.190 -0.396 0.107 0.458 78 F N -0.812 119.099 119.950 -0.065 0.000 2.532 78 F HA 0.400 5.055 4.527 -0.099 -0.187 0.365 78 F C -0.749 175.049 175.800 -0.003 0.000 1.112 78 F CA -2.437 55.511 58.000 -0.087 0.000 1.082 78 F CB 0.477 39.360 39.000 -0.195 0.000 1.319 78 F HN -0.332 7.660 8.300 -0.513 0.000 0.457 79 L N 4.473 125.773 121.223 0.128 0.000 2.401 79 L HA 0.152 4.705 4.340 0.173 -0.109 0.283 79 L C -0.567 176.455 176.870 0.253 0.000 1.151 79 L CA -0.438 54.489 54.840 0.147 0.000 0.942 79 L CB -0.229 41.846 42.059 0.027 0.000 1.283 79 L HN -0.069 8.208 8.230 0.078 0.000 0.442 80 V N 5.805 125.960 119.914 0.401 0.000 2.397 80 V HA -0.104 4.506 4.120 0.596 -0.132 0.262 80 V C -0.339 176.122 176.094 0.612 0.000 1.047 80 V CA -0.972 61.676 62.300 0.581 0.000 1.003 80 V CB -0.775 31.465 31.823 0.695 0.000 1.037 80 V HN 0.022 8.486 8.190 0.455 0.000 0.480 81 C N 9.585 129.340 119.300 0.760 0.000 2.667 81 C HA -0.130 4.603 4.460 0.455 0.000 0.392 81 C C -1.177 174.151 174.990 0.564 0.000 1.332 81 C CA -0.173 59.231 59.018 0.643 0.000 1.594 81 C CB -1.603 26.467 27.740 0.549 0.000 2.345 81 C HN -0.194 8.469 8.230 0.721 0.000 0.594 82 F N 10.131 130.253 119.950 0.286 0.000 2.382 82 F HA 0.065 4.645 4.527 0.089 0.000 0.331 82 F C -1.726 174.190 175.800 0.194 0.000 1.121 82 F CA 0.122 58.242 58.000 0.200 0.000 1.183 82 F CB 3.273 42.445 39.000 0.286 0.000 1.207 82 F HN 0.597 9.137 8.300 0.578 0.106 0.555 83 S N 3.298 118.989 115.700 -0.016 0.000 2.669 83 S HA 0.138 4.780 4.470 0.287 0.000 0.315 83 S C -0.879 173.874 174.600 0.255 0.000 1.106 83 S CA -1.681 56.623 58.200 0.174 0.000 1.107 83 S CB 0.091 63.309 63.200 0.031 0.000 0.990 83 S HN 0.087 7.892 8.310 -0.841 0.000 0.471 84 V N 7.144 127.306 119.914 0.413 0.000 3.647 84 V HA 0.062 4.431 4.120 0.335 -0.049 0.279 84 V C -0.493 175.683 176.094 0.137 0.000 1.314 84 V CA -0.118 62.365 62.300 0.304 0.000 1.125 84 V CB -0.364 31.597 31.823 0.230 0.000 0.907 84 V HN 0.289 8.713 8.190 0.389 0.000 0.434 85 V N -8.149 111.840 119.914 0.125 0.000 3.271 85 V HA 0.181 4.338 4.120 0.063 0.000 0.327 85 V C -1.865 174.271 176.094 0.069 0.000 1.389 85 V CA -2.345 60.003 62.300 0.081 0.000 1.156 85 V CB -1.558 30.314 31.823 0.082 0.000 1.103 85 V HN -0.390 7.834 8.190 0.157 0.060 0.453 86 S N 0.687 116.427 115.700 0.067 0.000 2.618 86 S HA 0.428 4.927 4.470 0.049 0.000 0.277 86 S C -2.475 172.150 174.600 0.041 0.000 1.138 86 S CA -2.952 55.280 58.200 0.053 0.000 0.844 86 S CB 3.007 66.243 63.200 0.060 0.000 1.127 86 S HN -0.848 7.428 8.310 0.075 0.079 0.474 87 P HA 0.055 4.492 4.420 0.029 0.000 0.273 87 P C -0.837 176.500 177.300 0.062 0.000 1.319 87 P CA 0.158 63.280 63.100 0.037 0.000 0.885 87 P CB -0.140 31.577 31.700 0.028 0.000 1.015 88 S N 2.165 117.928 115.700 0.104 0.000 3.364 88 S HA -0.453 4.345 4.470 0.547 0.000 0.361 88 S C 1.352 176.069 174.600 0.196 0.000 1.107 88 S CA 0.866 59.246 58.200 0.300 0.000 1.029 88 S CB -0.250 63.064 63.200 0.190 0.000 0.912 88 S HN 0.329 8.671 8.310 0.053 0.000 0.513 89 S N 1.527 117.287 115.700 0.101 0.000 2.382 89 S HA -0.274 4.162 4.470 -0.056 0.000 0.228 89 S C 1.293 175.764 174.600 -0.214 0.000 1.027 89 S CA 2.558 60.738 58.200 -0.033 0.000 0.991 89 S CB -0.263 62.944 63.200 0.011 0.000 0.823 89 S HN -0.461 7.856 8.310 0.095 0.049 0.469 90 F N -1.196 118.401 119.950 -0.589 0.000 2.449 90 F HA -0.073 3.860 4.527 -0.989 0.000 0.299 90 F C 0.619 175.966 175.800 -0.755 0.000 1.092 90 F CA 0.542 57.950 58.000 -0.987 0.000 1.446 90 F CB -1.415 36.421 39.000 -1.939 0.000 1.084 90 F HN -0.678 7.708 8.300 0.160 0.010 0.567 91 E N -0.824 118.535 120.200 -1.402 0.000 2.140 91 E HA -0.253 3.213 4.350 -1.474 0.000 0.191 91 E C 1.377 177.551 176.600 -0.710 0.000 0.973 91 E CA 2.154 57.824 56.400 -1.217 0.000 0.829 91 E CB 0.658 29.853 29.700 -0.840 0.000 0.781 91 E HN -0.044 7.651 8.360 -0.760 0.210 0.466 92 N N -0.197 118.186 118.700 -0.529 0.000 2.430 92 N HA -0.251 4.338 4.740 -0.251 0.000 0.186 92 N C 1.950 177.111 175.510 -0.581 0.000 1.032 92 N CA 2.533 55.375 53.050 -0.348 0.000 0.893 92 N CB -1.180 37.218 38.487 -0.148 0.000 0.957 92 N HN -0.513 7.585 8.380 -0.471 0.000 0.442 93 V N 0.713 119.945 119.914 -1.137 0.000 2.295 93 V HA -0.507 1.063 4.120 -4.250 0.000 0.246 93 V C 1.752 177.338 176.094 -0.847 0.000 1.049 93 V CA 3.601 64.667 62.300 -2.057 0.000 1.024 93 V CB -0.663 30.092 31.823 -1.780 0.000 0.648 93 V HN -0.560 6.921 8.190 -1.037 0.087 0.447 94 K N -1.034 119.031 120.400 -0.559 0.000 2.032 94 K HA -0.335 3.901 4.320 -0.140 0.000 0.209 94 K C 3.121 179.636 176.600 -0.142 0.000 1.048 94 K CA 2.518 58.651 56.287 -0.256 0.000 0.927 94 K CB -1.024 31.301 32.500 -0.291 0.000 0.712 94 K HN -0.239 7.495 8.250 -0.691 0.101 0.441 95 E N -1.008 119.091 120.200 -0.169 0.000 2.114 95 E HA -0.293 4.008 4.350 -0.080 0.000 0.199 95 E C 1.934 178.537 176.600 0.004 0.000 1.008 95 E CA 2.773 59.128 56.400 -0.076 0.000 0.810 95 E CB 0.001 29.654 29.700 -0.078 0.000 0.739 95 E HN -0.636 7.505 8.360 -0.265 0.060 0.456 96 K N -6.543 113.935 120.400 0.131 0.000 2.538 96 K HA 0.179 4.518 4.320 0.031 0.000 0.215 96 K C 1.447 178.179 176.600 0.219 0.000 1.345 96 K CA 0.671 57.048 56.287 0.149 0.000 0.985 96 K CB 1.812 34.403 32.500 0.151 0.000 1.116 96 K HN -0.617 7.742 8.250 0.182 0.000 0.582 97 W N -0.077 121.152 121.300 -0.118 0.000 2.409 97 W HA -0.032 4.689 4.660 -0.153 -0.153 0.299 97 W C 2.253 178.677 176.519 -0.159 0.000 1.203 97 W CA 1.668 58.937 57.345 -0.127 0.000 1.298 97 W CB -0.475 28.945 29.460 -0.066 0.000 1.127 97 W HN 0.449 8.941 8.180 0.677 0.095 0.528 98 V N -1.167 118.827 119.914 0.134 0.000 2.358 98 V HA -0.249 3.841 4.120 -0.049 0.000 0.246 98 V C -0.577 175.510 176.094 -0.012 0.000 1.047 98 V CA 3.990 66.312 62.300 0.037 0.000 1.035 98 V CB -3.253 28.635 31.823 0.108 0.000 0.658 98 V HN -0.698 7.579 8.190 0.145 0.000 0.452 99 P HA -0.074 4.374 4.420 0.047 0.000 0.226 99 P C 0.272 177.492 177.300 -0.135 0.000 1.153 99 P CA 1.981 65.048 63.100 -0.054 0.000 0.777 99 P CB -0.455 31.154 31.700 -0.153 0.000 0.794 100 E N -4.777 115.268 120.200 -0.259 0.000 2.276 100 E HA -0.086 3.653 4.350 -1.019 0.000 0.193 100 E C 0.517 176.815 176.600 -0.503 0.000 0.983 100 E CA 1.514 57.580 56.400 -0.557 0.000 0.861 100 E CB 1.545 31.010 29.700 -0.392 0.000 0.817 100 E HN -0.535 7.544 8.360 -0.152 0.190 0.485 101 I N -7.418 112.908 120.570 -0.407 0.000 3.132 101 I HA 0.125 3.739 4.170 -0.927 0.000 0.255 101 I C 1.576 177.341 176.117 -0.588 0.000 1.118 101 I CA 2.356 63.245 61.300 -0.686 0.000 1.463 101 I CB 0.880 38.464 38.000 -0.693 0.000 1.356 101 I HN -0.115 7.814 8.210 -0.292 0.106 0.463 102 T N 1.482 115.821 114.554 -0.358 0.000 2.901 102 T HA -0.229 4.064 4.350 -0.199 -0.063 0.252 102 T C 1.492 176.168 174.700 -0.040 0.000 1.035 102 T CA 3.199 65.199 62.100 -0.167 0.000 1.142 102 T CB 0.186 69.033 68.868 -0.034 0.000 0.869 102 T HN -0.297 7.747 8.240 -0.327 0.000 0.442 103 H N 0.257 119.295 119.070 -0.052 0.000 2.457 103 H HA -0.279 4.278 4.556 0.003 0.000 0.297 103 H C 1.244 176.590 175.328 0.031 0.000 1.092 103 H CA 2.521 58.575 56.048 0.010 0.000 1.309 103 H CB 0.416 30.204 29.762 0.043 0.000 1.382 103 H HN -0.211 8.139 8.280 0.116 0.000 0.535 104 H N -3.089 115.921 119.070 -0.100 0.000 2.284 104 H HA 0.001 4.494 4.556 -0.104 0.000 0.314 104 H C -0.663 174.528 175.328 -0.228 0.000 1.058 104 H CA 2.292 58.241 56.048 -0.166 0.000 1.394 104 H CB 2.227 31.856 29.762 -0.222 0.000 1.431 104 H HN -0.168 8.083 8.280 0.142 0.114 0.537 105 C N -1.347 117.814 119.300 -0.231 0.000 2.787 105 C HA 0.361 4.761 4.460 -0.100 0.000 0.265 105 C C -1.723 173.187 174.990 -0.133 0.000 1.190 105 C CA -3.617 55.273 59.018 -0.214 0.000 1.616 105 C CB 1.637 29.184 27.740 -0.321 0.000 1.732 105 C HN 0.282 8.176 8.230 -0.350 0.126 0.433 106 P HA 0.106 4.542 4.420 0.026 0.000 0.218 106 P C -1.382 175.970 177.300 0.086 0.000 1.793 106 P CA -0.101 63.011 63.100 0.020 0.000 0.941 106 P CB -1.023 30.678 31.700 0.000 0.000 1.919 107 K N -0.294 120.200 120.400 0.155 0.000 2.099 107 K HA 0.013 4.385 4.320 0.087 0.000 0.203 107 K C 0.536 177.211 176.600 0.126 0.000 1.047 107 K CA 0.953 57.317 56.287 0.128 0.000 0.963 107 K CB 1.033 33.619 32.500 0.143 0.000 0.759 107 K HN 0.036 8.358 8.250 0.240 0.073 0.451 108 T N -5.222 109.435 114.554 0.172 0.000 3.993 108 T HA 0.122 4.567 4.350 0.159 0.000 0.340 108 T C -2.534 172.271 174.700 0.175 0.000 0.865 108 T CA 1.365 63.553 62.100 0.146 0.000 1.246 108 T CB 0.014 68.926 68.868 0.072 0.000 0.970 108 T HN -0.067 8.320 8.240 0.245 0.000 0.524 109 P HA -0.089 4.331 4.420 0.001 0.000 0.257 109 P C -2.422 174.993 177.300 0.190 0.000 1.269 109 P CA 0.597 63.686 63.100 -0.018 0.000 1.122 109 P CB -1.303 30.186 31.700 -0.351 0.000 1.285 110 F N 6.540 126.550 119.950 0.100 0.000 2.577 110 F HA 0.297 5.102 4.527 0.271 -0.115 0.344 110 F C -2.664 173.210 175.800 0.124 0.000 1.145 110 F CA -2.875 55.231 58.000 0.177 0.000 0.996 110 F CB 2.983 42.084 39.000 0.169 0.000 1.248 110 F HN -0.269 8.212 8.300 0.302 0.000 0.447 111 L N 8.028 129.576 121.223 0.542 0.000 2.342 111 L HA 0.393 4.996 4.340 0.231 -0.125 0.276 111 L C -1.796 175.295 176.870 0.367 0.000 0.997 111 L CA -1.128 53.901 54.840 0.315 0.000 0.838 111 L CB 2.850 45.005 42.059 0.161 0.000 1.224 111 L HN 0.799 9.332 8.230 0.506 0.000 0.416 112 L N 7.387 128.796 121.223 0.311 0.000 2.363 112 L HA 0.260 5.047 4.340 0.469 -0.166 0.286 112 L C -2.016 175.101 176.870 0.411 0.000 1.106 112 L CA -1.070 54.015 54.840 0.409 0.000 0.859 112 L CB 0.178 42.438 42.059 0.335 0.000 1.223 112 L HN 0.344 8.698 8.230 0.208 0.000 0.446 113 V N 7.904 128.049 119.914 0.384 0.000 2.384 113 V HA 0.257 4.458 4.120 0.135 0.000 0.287 113 V C -0.489 175.796 176.094 0.319 0.000 1.020 113 V CA -2.270 60.184 62.300 0.257 0.000 0.850 113 V CB 1.203 33.162 31.823 0.227 0.000 0.987 113 V HN 0.137 8.578 8.190 0.419 0.000 0.436 114 G N 6.474 115.351 108.800 0.128 0.000 2.380 114 G HA2 -0.028 4.369 3.960 0.550 0.000 0.242 114 G HA3 -0.028 3.925 3.960 -0.012 0.000 0.242 114 G C -1.298 173.731 174.900 0.216 0.000 1.298 114 G CA 0.455 45.672 45.100 0.196 0.000 0.878 114 G HN 0.522 8.661 8.290 -0.052 0.121 0.542 115 T N 4.026 118.749 114.554 0.281 0.000 2.919 115 T HA 0.160 4.604 4.350 0.156 0.000 0.282 115 T C -0.241 174.537 174.700 0.130 0.000 1.020 115 T CA -1.968 60.247 62.100 0.192 0.000 0.994 115 T CB 2.385 71.393 68.868 0.234 0.000 1.180 115 T HN -0.087 8.311 8.240 0.395 0.079 0.566 116 Q N -1.328 118.528 119.800 0.093 0.000 2.346 116 Q HA -0.402 3.950 4.340 0.021 0.000 0.302 116 Q C 1.037 177.047 176.000 0.016 0.000 1.196 116 Q CA 1.690 57.524 55.803 0.053 0.000 0.929 116 Q CB -2.109 26.687 28.738 0.097 0.000 1.245 116 Q HN 0.555 8.888 8.270 0.105 0.000 0.502 117 I N -3.918 116.647 120.570 -0.008 0.000 3.083 117 I HA -0.400 3.773 4.170 0.006 0.000 0.273 117 I C 0.671 176.749 176.117 -0.065 0.000 1.297 117 I CA 2.006 63.291 61.300 -0.025 0.000 1.452 117 I CB -0.354 37.624 38.000 -0.037 0.000 1.078 117 I HN -0.077 8.094 8.210 -0.006 0.035 0.484 118 D N -2.397 117.931 120.400 -0.121 0.000 2.347 118 D HA -0.181 4.381 4.640 -0.130 0.000 0.215 118 D C 0.388 176.650 176.300 -0.062 0.000 0.976 118 D CA 1.505 55.414 54.000 -0.152 0.000 0.884 118 D CB -0.337 40.245 40.800 -0.364 0.000 0.915 118 D HN 0.055 8.266 8.370 -0.141 0.074 0.526 119 L N -3.257 117.953 121.223 -0.021 0.000 2.731 119 L HA 0.192 4.549 4.340 0.028 0.000 0.240 119 L C 1.796 178.679 176.870 0.021 0.000 1.120 119 L CA -0.459 54.394 54.840 0.022 0.000 0.913 119 L CB -0.073 42.019 42.059 0.055 0.000 1.213 119 L HN -0.395 7.647 8.230 -0.025 0.173 0.515 120 R N 1.407 121.914 120.500 0.011 0.000 2.170 120 R HA -0.333 4.024 4.340 0.028 0.000 0.242 120 R C 0.331 176.636 176.300 0.008 0.000 1.145 120 R CA 3.166 59.275 56.100 0.015 0.000 0.984 120 R CB -0.534 29.771 30.300 0.007 0.000 0.869 120 R HN -0.641 7.440 8.270 -0.002 0.187 0.455 121 D N -3.702 116.699 120.400 0.001 0.000 2.398 121 D HA 0.174 4.815 4.640 0.002 0.000 0.210 121 D C -0.963 175.343 176.300 0.010 0.000 1.094 121 D CA 0.067 54.067 54.000 0.001 0.000 0.839 121 D CB 1.424 42.219 40.800 -0.008 0.000 0.963 121 D HN -0.190 8.146 8.370 -0.005 0.031 0.506 122 D N -1.387 119.024 120.400 0.017 0.000 2.269 122 D HA 0.372 5.026 4.640 0.024 0.000 0.244 122 D C -1.240 175.080 176.300 0.032 0.000 0.992 122 D CA -3.069 50.947 54.000 0.027 0.000 0.894 122 D CB 3.135 43.958 40.800 0.038 0.000 1.248 122 D HN -0.266 7.933 8.370 0.017 0.181 0.468 123 P HA -0.116 4.322 4.420 0.029 0.000 0.234 123 P C 1.034 178.359 177.300 0.041 0.000 1.167 123 P CA 1.154 64.274 63.100 0.033 0.000 0.763 123 P CB 0.219 31.936 31.700 0.029 0.000 0.835 124 S N -0.327 115.403 115.700 0.050 0.000 2.365 124 S HA -0.358 4.149 4.470 0.061 0.000 0.225 124 S C 1.140 175.779 174.600 0.064 0.000 1.039 124 S CA 3.487 61.725 58.200 0.064 0.000 1.033 124 S CB -0.604 62.647 63.200 0.086 0.000 0.887 124 S HN 0.108 8.356 8.310 0.050 0.092 0.447 125 T N 0.786 115.377 114.554 0.061 0.000 3.160 125 T HA -0.083 4.309 4.350 0.070 0.000 0.257 125 T C 1.231 175.962 174.700 0.051 0.000 1.147 125 T CA 0.701 62.839 62.100 0.062 0.000 1.064 125 T CB -0.543 68.363 68.868 0.063 0.000 0.949 125 T HN -0.669 7.606 8.240 0.057 0.000 0.526 126 I N 2.138 122.735 120.570 0.044 0.000 2.235 126 I HA -0.376 3.815 4.170 0.035 0.000 0.241 126 I C 1.716 177.854 176.117 0.036 0.000 1.085 126 I CA 1.771 63.093 61.300 0.036 0.000 1.378 126 I CB -0.988 37.031 38.000 0.031 0.000 1.076 126 I HN 0.357 8.360 8.210 0.045 0.234 0.415 127 E N -0.318 119.904 120.200 0.037 0.000 2.187 127 E HA -0.425 3.943 4.350 0.030 0.000 0.199 127 E C 1.928 178.550 176.600 0.037 0.000 1.004 127 E CA 2.660 59.081 56.400 0.034 0.000 0.813 127 E CB -0.660 29.061 29.700 0.036 0.000 0.736 127 E HN -0.352 8.031 8.360 0.039 0.000 0.468 128 K N -3.681 116.746 120.400 0.045 0.000 2.127 128 K HA -0.250 4.100 4.320 0.049 0.000 0.208 128 K C 0.995 177.621 176.600 0.043 0.000 1.047 128 K CA 2.098 58.414 56.287 0.049 0.000 0.927 128 K CB 0.081 32.617 32.500 0.059 0.000 0.716 128 K HN -0.243 8.014 8.250 0.048 0.021 0.450 129 L N -6.088 115.158 121.223 0.038 0.000 2.186 129 L HA 0.067 4.425 4.340 0.031 0.000 0.182 129 L C -0.951 175.936 176.870 0.027 0.000 1.190 129 L CA 0.979 55.839 54.840 0.032 0.000 1.051 129 L CB 2.102 44.181 42.059 0.034 0.000 2.162 129 L HN -0.026 8.082 8.230 0.039 0.145 0.494 130 A N -1.300 121.536 122.820 0.028 0.000 2.774 130 A HA -0.411 3.923 4.320 0.023 0.000 0.290 130 A C 1.528 179.124 177.584 0.019 0.000 1.484 130 A CA 1.643 53.694 52.037 0.023 0.000 0.863 130 A CB -1.863 17.151 19.000 0.023 0.000 0.989 130 A HN -0.248 7.920 8.150 0.031 0.000 0.554 131 K N -2.711 117.701 120.400 0.020 0.000 2.155 131 K HA -0.229 4.100 4.320 0.015 0.000 0.203 131 K C 0.235 176.843 176.600 0.014 0.000 1.052 131 K CA 1.706 58.003 56.287 0.016 0.000 0.948 131 K CB -0.207 32.303 32.500 0.017 0.000 0.728 131 K HN 0.248 8.464 8.250 0.022 0.047 0.448 132 N N -3.866 114.843 118.700 0.015 0.000 2.234 132 N HA 0.092 4.839 4.740 0.012 0.000 0.227 132 N C -1.458 174.060 175.510 0.013 0.000 1.151 132 N CA -0.355 52.703 53.050 0.013 0.000 0.865 132 N CB 0.430 38.925 38.487 0.014 0.000 1.066 132 N HN -0.213 8.147 8.380 0.018 0.030 0.515 133 K N -2.403 118.005 120.400 0.015 0.000 2.975 133 K HA -0.319 4.010 4.320 0.016 0.000 0.257 133 K C -1.767 174.842 176.600 0.015 0.000 1.005 133 K CA 1.106 57.401 56.287 0.015 0.000 0.738 133 K CB -2.029 30.478 32.500 0.012 0.000 1.236 133 K HN -0.491 7.625 8.250 0.016 0.143 0.483 134 Q N -5.287 114.523 119.800 0.017 0.000 3.503 134 Q HA -0.193 4.159 4.340 0.021 0.000 0.126 134 Q C -2.147 173.863 176.000 0.016 0.000 0.975 134 Q CA 0.241 56.054 55.803 0.018 0.000 1.229 134 Q CB 0.747 29.494 28.738 0.014 0.000 1.702 134 Q HN -0.182 8.073 8.270 0.018 0.025 0.594 135 K N -2.741 117.669 120.400 0.017 0.000 2.556 135 K HA 0.297 4.622 4.320 0.008 0.000 0.322 135 K C -2.897 173.711 176.600 0.014 0.000 1.420 135 K CA -2.159 54.136 56.287 0.013 0.000 1.044 135 K CB -0.397 32.112 32.500 0.015 0.000 1.427 135 K HN 0.050 8.313 8.250 0.021 0.000 0.509 136 P HA 0.351 5.043 4.420 0.031 -0.253 0.281 136 P C -0.512 176.783 177.300 -0.009 0.000 1.249 136 P CA -1.853 61.256 63.100 0.014 0.000 0.810 136 P CB 0.930 32.636 31.700 0.010 0.000 1.008 137 I N 2.313 122.881 120.570 -0.004 0.000 2.815 137 I HA -0.069 3.990 4.170 -0.186 0.000 0.291 137 I C -0.076 175.997 176.117 -0.074 0.000 1.209 137 I CA 0.635 61.879 61.300 -0.094 0.000 1.431 137 I CB 0.479 38.489 38.000 0.015 0.000 1.351 137 I HN -0.261 7.867 8.210 0.054 0.115 0.585 138 T N 6.956 121.447 114.554 -0.105 0.000 2.923 138 T HA 0.410 4.735 4.350 -0.042 0.000 0.281 138 T C -0.742 173.927 174.700 -0.051 0.000 0.995 138 T CA -2.805 59.259 62.100 -0.059 0.000 0.985 138 T CB -0.560 68.279 68.868 -0.047 0.000 1.114 138 T HN -0.257 7.886 8.240 -0.161 0.000 0.548 139 P HA -0.036 4.388 4.420 0.007 0.000 0.233 139 P C -0.489 176.810 177.300 -0.003 0.000 1.167 139 P CA 1.800 64.896 63.100 -0.007 0.000 0.770 139 P CB 0.248 31.944 31.700 -0.008 0.000 0.837 140 E N -5.685 114.507 120.200 -0.013 0.000 2.481 140 E HA 0.060 4.416 4.350 0.009 0.000 0.198 140 E C -0.222 176.382 176.600 0.007 0.000 1.027 140 E CA -0.029 56.371 56.400 0.001 0.000 0.900 140 E CB 0.176 29.877 29.700 0.002 0.000 0.993 140 E HN 0.018 8.305 8.360 -0.023 0.060 0.482 141 T N 1.444 115.973 114.554 -0.042 0.000 2.898 141 T HA -0.102 4.302 4.350 0.089 0.000 0.241 141 T C 0.506 175.144 174.700 -0.103 0.000 1.024 141 T CA 3.747 65.797 62.100 -0.083 0.000 1.174 141 T CB 0.640 69.323 68.868 -0.308 0.000 0.873 141 T HN -0.644 7.365 8.240 -0.065 0.191 0.422 142 A N -0.063 122.584 122.820 -0.287 0.000 1.841 142 A HA -0.323 4.100 4.320 0.173 0.000 0.216 142 A C 1.627 179.156 177.584 -0.092 0.000 1.199 142 A CA 3.770 55.755 52.037 -0.086 0.000 0.621 142 A CB -0.775 18.120 19.000 -0.176 0.000 0.835 142 A HN -0.451 7.538 8.150 -0.268 0.000 0.445 143 E N -0.702 119.445 120.200 -0.087 0.000 2.219 143 E HA -0.384 3.917 4.350 -0.082 0.000 0.198 143 E C 2.307 178.909 176.600 0.002 0.000 0.998 143 E CA 2.923 59.301 56.400 -0.036 0.000 0.818 143 E CB -1.066 28.653 29.700 0.033 0.000 0.741 143 E HN 0.235 8.579 8.360 -0.026 0.000 0.477 144 K N -1.996 118.440 120.400 0.059 0.000 2.032 144 K HA -0.243 4.100 4.320 0.038 0.000 0.209 144 K C 1.548 178.176 176.600 0.047 0.000 1.048 144 K CA 2.990 59.321 56.287 0.073 0.000 0.927 144 K CB -0.075 32.509 32.500 0.139 0.000 0.712 144 K HN -0.062 8.082 8.250 0.068 0.146 0.441 145 L N -5.656 115.621 121.223 0.089 0.000 2.298 145 L HA 0.222 4.511 4.340 -0.085 0.000 0.209 145 L C 1.353 178.170 176.870 -0.087 0.000 1.084 145 L CA 1.884 56.686 54.840 -0.064 0.000 0.816 145 L CB -0.081 41.815 42.059 -0.272 0.000 0.967 145 L HN -0.573 7.743 8.230 0.284 0.084 0.460 146 A N -0.549 122.211 122.820 -0.101 0.000 2.070 146 A HA -0.355 3.842 4.320 -0.204 0.000 0.220 146 A C 1.449 178.962 177.584 -0.118 0.000 1.159 146 A CA 3.254 55.190 52.037 -0.167 0.000 0.656 146 A CB -0.759 18.091 19.000 -0.250 0.000 0.800 146 A HN 0.542 8.650 8.150 -0.071 0.000 0.453 147 R N -2.015 118.443 120.500 -0.071 0.000 2.148 147 R HA -0.242 4.074 4.340 -0.041 0.000 0.223 147 R C 0.764 177.038 176.300 -0.044 0.000 1.088 147 R CA 3.138 59.212 56.100 -0.044 0.000 0.985 147 R CB 0.017 30.305 30.300 -0.021 0.000 0.880 147 R HN -0.215 7.977 8.270 -0.061 0.041 0.451 148 D N -0.422 119.946 120.400 -0.055 0.000 2.289 148 D HA -0.097 4.526 4.640 -0.028 0.000 0.207 148 D C 1.111 177.394 176.300 -0.030 0.000 0.966 148 D CA 2.605 56.580 54.000 -0.042 0.000 0.868 148 D CB 0.645 41.409 40.800 -0.060 0.000 0.943 148 D HN 0.038 8.220 8.370 -0.065 0.148 0.514 149 L N -4.756 116.426 121.223 -0.068 0.000 2.500 149 L HA 0.238 4.623 4.340 0.075 0.000 0.219 149 L C -0.552 176.242 176.870 -0.126 0.000 1.057 149 L CA 0.103 54.917 54.840 -0.043 0.000 0.854 149 L CB 0.981 42.965 42.059 -0.126 0.000 1.078 149 L HN -0.544 7.511 8.230 -0.109 0.109 0.480 150 K N -4.562 115.725 120.400 -0.188 0.000 3.244 150 K HA -0.397 3.905 4.320 -0.129 -0.059 0.270 150 K C -0.501 175.946 176.600 -0.255 0.000 1.016 150 K CA 0.454 56.651 56.287 -0.151 0.000 0.754 150 K CB -3.583 28.887 32.500 -0.050 0.000 1.326 150 K HN 0.167 8.177 8.250 -0.185 0.128 0.465 151 A N -1.842 120.626 122.820 -0.586 0.000 2.141 151 A HA -0.250 3.221 4.320 -1.415 0.000 0.311 151 A C -0.104 177.370 177.584 -0.183 0.000 1.377 151 A CA 0.959 52.461 52.037 -0.891 0.000 0.923 151 A CB 0.529 18.896 19.000 -1.055 0.000 1.158 151 A HN -0.295 7.506 8.150 -0.582 0.000 0.520 152 V N -1.419 118.494 119.914 -0.002 0.000 2.599 152 V HA -0.130 4.023 4.120 0.055 0.000 0.245 152 V C 0.040 176.145 176.094 0.019 0.000 1.046 152 V CA 1.134 63.468 62.300 0.058 0.000 1.065 152 V CB 1.092 32.983 31.823 0.114 0.000 0.703 152 V HN 0.657 8.736 8.190 0.052 0.142 0.464 153 K N -3.641 116.773 120.400 0.023 0.000 2.589 153 K HA 0.109 4.443 4.320 0.024 0.000 0.265 153 K C -2.676 173.977 176.600 0.088 0.000 0.935 153 K CA -0.317 55.989 56.287 0.033 0.000 0.850 153 K CB 3.423 35.934 32.500 0.018 0.000 1.372 153 K HN -0.654 7.615 8.250 0.032 0.000 0.420 154 Y N 6.297 126.560 120.300 -0.061 0.000 2.352 154 Y HA 1.015 5.756 4.550 -0.045 -0.218 0.339 154 Y C -1.856 173.977 175.900 -0.111 0.000 0.992 154 Y CA -2.083 55.971 58.100 -0.077 0.000 1.100 154 Y CB 1.914 40.322 38.460 -0.085 0.000 1.192 154 Y HN 0.032 8.377 8.280 0.110 0.000 0.458 155 V N 2.843 122.317 119.914 -0.733 0.000 3.080 155 V HA 0.598 4.189 4.120 -0.881 0.000 0.311 155 V C -2.459 173.230 176.094 -0.674 0.000 1.389 155 V CA -2.776 59.081 62.300 -0.738 0.000 1.049 155 V CB 4.207 35.854 31.823 -0.293 0.000 1.078 155 V HN 0.929 8.944 8.190 -0.292 0.000 0.468 156 E N 0.637 120.582 120.200 -0.425 0.000 2.290 156 E HA 0.482 4.779 4.350 -0.224 -0.082 0.274 156 E C -2.117 174.391 176.600 -0.154 0.000 0.889 156 E CA -0.696 55.539 56.400 -0.274 0.000 0.760 156 E CB 2.639 32.152 29.700 -0.311 0.000 1.206 156 E HN 0.228 8.372 8.360 -0.361 0.000 0.419 157 C N 4.834 124.083 119.300 -0.085 0.000 3.101 157 C HA 0.040 4.442 4.460 -0.096 0.000 0.401 157 C C -2.215 172.740 174.990 -0.059 0.000 1.075 157 C CA -0.720 58.250 59.018 -0.079 0.000 1.281 157 C CB 1.608 29.301 27.740 -0.078 0.000 1.667 157 C HN -0.017 8.183 8.230 -0.049 0.000 0.517 158 S N 5.608 121.256 115.700 -0.088 0.000 2.558 158 S HA -0.172 4.253 4.470 -0.075 0.000 0.293 158 S C 1.437 175.954 174.600 -0.138 0.000 1.292 158 S CA 0.577 58.704 58.200 -0.122 0.000 1.063 158 S CB 0.220 63.297 63.200 -0.206 0.000 0.831 158 S HN -0.005 8.248 8.310 -0.096 0.000 0.499 159 A N 5.638 128.403 122.820 -0.092 0.000 1.935 159 A HA -0.400 3.937 4.320 0.028 0.000 0.224 159 A C 1.417 178.934 177.584 -0.111 0.000 1.324 159 A CA 3.186 55.198 52.037 -0.041 0.000 0.686 159 A CB -0.292 18.725 19.000 0.028 0.000 0.837 159 A HN 0.936 9.052 8.150 -0.057 0.000 0.481 160 L N -10.499 110.600 121.223 -0.208 0.000 2.416 160 L HA 0.142 4.440 4.340 -0.071 0.000 0.216 160 L C 0.843 177.617 176.870 -0.159 0.000 1.098 160 L CA 1.854 56.601 54.840 -0.155 0.000 0.840 160 L CB -0.270 41.662 42.059 -0.212 0.000 0.981 160 L HN -0.349 7.654 8.230 -0.363 0.009 0.462 161 T N 2.113 116.550 114.554 -0.195 0.000 2.595 161 T HA -0.230 4.040 4.350 -0.132 0.000 0.264 161 T C 0.673 175.298 174.700 -0.124 0.000 1.058 161 T CA 2.925 64.937 62.100 -0.147 0.000 1.166 161 T CB 0.325 69.104 68.868 -0.148 0.000 0.863 161 T HN -0.185 7.794 8.240 -0.242 0.116 0.415 162 Q N -6.304 113.412 119.800 -0.140 0.000 2.477 162 Q HA -0.274 3.950 4.340 -0.193 0.000 0.279 162 Q C -0.463 175.465 176.000 -0.119 0.000 1.144 162 Q CA 0.418 56.130 55.803 -0.152 0.000 0.898 162 Q CB -3.092 25.559 28.738 -0.145 0.000 1.244 162 Q HN -0.229 7.954 8.270 -0.145 0.000 0.485 163 K N -2.628 117.707 120.400 -0.109 0.000 2.432 163 K HA -0.002 4.267 4.320 -0.085 0.000 0.196 163 K C 0.307 176.849 176.600 -0.096 0.000 1.038 163 K CA 1.097 57.327 56.287 -0.095 0.000 0.986 163 K CB -0.257 32.185 32.500 -0.096 0.000 0.782 163 K HN -0.182 8.000 8.250 -0.113 0.000 0.485 164 G N -4.384 104.356 108.800 -0.099 0.000 3.912 164 G HA2 0.160 4.078 3.960 -0.069 0.000 0.203 164 G HA3 0.160 4.067 3.960 -0.087 0.000 0.203 164 G C -0.866 174.003 174.900 -0.052 0.000 1.112 164 G CA 0.197 45.250 45.100 -0.078 0.000 0.871 164 G HN -0.622 7.549 8.290 -0.110 0.053 0.549 165 L N 1.262 122.410 121.223 -0.126 0.000 2.042 165 L HA -0.357 3.991 4.340 0.013 0.000 0.210 165 L C 0.877 177.620 176.870 -0.210 0.000 1.076 165 L CA 3.799 58.487 54.840 -0.252 0.000 0.749 165 L CB 0.077 41.784 42.059 -0.587 0.000 0.893 165 L HN -0.614 7.524 8.230 -0.153 0.000 0.432 166 K N -3.611 116.686 120.400 -0.171 0.000 2.442 166 K HA -0.321 4.013 4.320 0.023 0.000 0.198 166 K C 2.104 178.757 176.600 0.088 0.000 1.044 166 K CA 2.657 58.934 56.287 -0.017 0.000 0.948 166 K CB -0.856 31.619 32.500 -0.042 0.000 0.762 166 K HN 0.262 8.394 8.250 -0.184 0.008 0.472 167 N N -0.406 118.335 118.700 0.067 0.000 2.368 167 N HA -0.098 4.671 4.740 0.048 0.000 0.178 167 N C 1.761 177.338 175.510 0.112 0.000 1.021 167 N CA 2.789 55.875 53.050 0.060 0.000 0.875 167 N CB 0.728 39.215 38.487 0.000 0.000 1.020 167 N HN 0.018 8.253 8.380 0.025 0.160 0.433 168 V N 1.773 121.802 119.914 0.191 0.000 2.667 168 V HA -0.341 3.844 4.120 0.107 0.000 0.252 168 V C 1.904 178.140 176.094 0.236 0.000 1.065 168 V CA 3.797 66.228 62.300 0.219 0.000 1.083 168 V CB -0.674 31.331 31.823 0.303 0.000 0.692 168 V HN 0.726 8.833 8.190 0.182 0.192 0.468 169 F N -0.787 119.162 119.950 -0.001 0.000 2.270 169 F HA -0.197 4.333 4.527 0.005 0.000 0.295 169 F C 1.743 177.542 175.800 -0.003 0.000 1.087 169 F CA 3.079 61.087 58.000 0.013 0.000 1.365 169 F CB -0.718 38.310 39.000 0.047 0.000 1.056 169 F HN 0.848 9.460 8.300 0.649 0.077 0.506 170 D N -0.686 119.822 120.400 0.181 0.000 2.144 170 D HA -0.257 4.414 4.640 0.051 0.000 0.200 170 D C 2.272 178.559 176.300 -0.022 0.000 0.978 170 D CA 3.276 57.312 54.000 0.060 0.000 0.833 170 D CB -0.088 40.749 40.800 0.063 0.000 0.961 170 D HN -0.342 7.954 8.370 0.224 0.208 0.470 171 E N 0.089 120.290 120.200 0.001 0.000 2.011 171 E HA -0.200 4.126 4.350 -0.039 0.000 0.191 171 E C 2.076 178.631 176.600 -0.076 0.000 0.980 171 E CA 2.540 58.923 56.400 -0.029 0.000 0.814 171 E CB -0.364 29.340 29.700 0.007 0.000 0.775 171 E HN 0.326 8.499 8.360 0.051 0.217 0.454 172 A N -0.493 122.270 122.820 -0.095 0.000 1.969 172 A HA -0.334 3.897 4.320 -0.148 0.000 0.223 172 A C 2.649 180.116 177.584 -0.195 0.000 1.218 172 A CA 2.988 54.918 52.037 -0.178 0.000 0.667 172 A CB -0.651 18.155 19.000 -0.323 0.000 0.826 172 A HN 0.557 8.539 8.150 -0.058 0.134 0.472 173 I N -2.774 117.680 120.570 -0.192 0.000 2.277 173 I HA -0.398 3.637 4.170 -0.225 0.000 0.243 173 I C 1.418 177.371 176.117 -0.273 0.000 1.094 173 I CA 3.781 64.928 61.300 -0.256 0.000 1.393 173 I CB 0.490 38.296 38.000 -0.323 0.000 1.078 173 I HN -0.369 7.734 8.210 -0.157 0.012 0.417 174 L N -0.159 120.932 121.223 -0.221 0.000 2.353 174 L HA -0.232 3.987 4.340 -0.201 0.000 0.220 174 L C 1.435 178.234 176.870 -0.118 0.000 1.133 174 L CA 2.778 57.517 54.840 -0.167 0.000 0.798 174 L CB -1.221 40.772 42.059 -0.111 0.000 0.922 174 L HN 0.022 7.947 8.230 -0.184 0.194 0.445 175 A N -3.282 119.467 122.820 -0.119 0.000 2.095 175 A HA -0.055 4.229 4.320 -0.060 0.000 0.212 175 A C 0.028 177.528 177.584 -0.140 0.000 1.162 175 A CA 1.330 53.309 52.037 -0.097 0.000 0.753 175 A CB 0.202 19.152 19.000 -0.082 0.000 0.840 175 A HN 0.555 8.427 8.150 -0.139 0.195 0.468 176 A N -4.568 118.153 122.820 -0.166 0.000 2.469 176 A HA 0.222 4.440 4.320 -0.169 0.000 0.245 176 A C -0.326 177.183 177.584 -0.125 0.000 1.221 176 A CA 0.668 52.607 52.037 -0.163 0.000 0.946 176 A CB 1.792 20.681 19.000 -0.184 0.000 1.049 176 A HN -0.294 7.570 8.150 -0.176 0.180 0.529 177 L N -4.403 116.734 121.223 -0.143 0.000 2.993 177 L HA 0.322 4.618 4.340 -0.073 0.000 0.264 177 L C -1.331 175.481 176.870 -0.096 0.000 1.154 177 L CA -0.336 54.428 54.840 -0.126 0.000 0.972 177 L CB 1.260 43.166 42.059 -0.256 0.000 1.373 177 L HN -0.182 7.884 8.230 -0.164 0.066 0.564 178 E N 1.016 121.159 120.200 -0.095 0.000 0.706 178 E HA -0.307 4.090 4.350 -0.063 -0.085 0.354 178 E C -1.653 174.922 176.600 -0.041 0.000 0.731 178 E CA 0.358 56.722 56.400 -0.060 0.000 1.332 178 E CB -0.178 29.499 29.700 -0.038 0.000 0.404 178 E HN -0.415 7.879 8.360 -0.111 0.000 0.359 179 P HA 0.196 4.613 4.420 -0.006 0.000 0.274 179 P C -2.149 175.149 177.300 -0.004 0.000 1.256 179 P CA -1.244 61.846 63.100 -0.016 0.000 0.795 179 P CB 0.002 31.693 31.700 -0.015 0.000 1.038 180 P HA 0.067 4.491 4.420 0.007 0.000 0.272 180 P C -1.066 176.238 177.300 0.007 0.000 1.230 180 P CA -0.384 62.721 63.100 0.008 0.000 0.788 180 P CB 0.776 32.484 31.700 0.013 0.000 0.949 181 E N -2.517 117.687 120.200 0.006 0.000 2.569 181 E HA 0.231 4.585 4.350 0.005 0.000 0.205 181 E C -1.167 175.437 176.600 0.007 0.000 1.006 181 E CA -0.945 55.458 56.400 0.006 0.000 0.985 181 E CB -0.704 28.999 29.700 0.005 0.000 1.060 181 E HN 0.210 8.574 8.360 0.007 0.000 0.460 182 P HA 0.122 4.547 4.420 0.008 0.000 0.226 182 P C -1.272 176.034 177.300 0.009 0.000 1.783 182 P CA -0.490 62.615 63.100 0.009 0.000 0.980 182 P CB -1.414 30.291 31.700 0.010 0.000 1.967 183 K N 2.003 122.408 120.400 0.008 0.000 2.168 183 K HA 0.077 4.402 4.320 0.009 0.000 0.258 183 K C -0.573 176.031 176.600 0.007 0.000 1.010 183 K CA -0.410 55.882 56.287 0.008 0.000 0.929 183 K CB 0.954 33.458 32.500 0.007 0.000 0.998 183 K HN -0.267 7.916 8.250 0.007 0.071 0.479 184 K N 2.083 122.487 120.400 0.007 0.000 2.211 184 K HA 0.144 4.467 4.320 0.006 0.000 0.275 184 K C -0.013 176.590 176.600 0.005 0.000 1.024 184 K CA -0.334 55.957 56.287 0.006 0.000 0.887 184 K CB 0.590 33.094 32.500 0.007 0.000 1.084 184 K HN 0.101 8.355 8.250 0.008 0.000 0.463 185 S N 4.018 119.721 115.700 0.005 0.000 2.397 185 S HA 0.158 4.630 4.470 0.004 0.000 0.261 185 S C -0.314 174.289 174.600 0.004 0.000 1.187 185 S CA 0.125 58.328 58.200 0.004 0.000 1.023 185 S CB 0.496 63.699 63.200 0.004 0.000 1.103 185 S HN 0.297 8.610 8.310 0.005 0.000 0.474 186 R N 1.105 121.607 120.500 0.003 0.000 3.055 186 R HA -0.134 4.207 4.340 0.002 0.000 0.265 186 R C -0.770 175.531 176.300 0.003 0.000 0.947 186 R CA 0.174 56.275 56.100 0.003 0.000 0.652 186 R CB -1.997 28.305 30.300 0.003 0.000 1.367 186 R HN 0.345 8.617 8.270 0.003 0.000 0.441 187 R N 0.000 120.501 120.500 0.002 0.000 2.786 187 R HA 0.000 4.341 4.340 0.002 0.000 0.208 187 R CA 0.000 56.101 56.100 0.002 0.000 0.921 187 R CB 0.000 30.301 30.300 0.001 0.000 0.687 187 R HN 0.000 8.271 8.270 0.002 0.000 0.535