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 1ic6_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTDILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.107 4.320 -0.355 0.000 0.244 1 A C 0.000 177.225 177.584 -0.599 0.000 1.274 1 A CA 0.000 51.690 52.037 -0.579 0.000 0.836 1 A CB 0.000 18.407 19.000 -0.988 0.000 0.831 2 A N 0.064 122.657 122.820 -0.378 0.000 2.427 2 A HA 0.837 5.189 4.320 -0.329 -0.230 0.298 2 A C -1.683 175.823 177.584 -0.130 0.000 1.036 2 A CA -0.446 51.438 52.037 -0.255 0.000 0.701 2 A CB 2.947 21.867 19.000 -0.133 0.000 1.250 2 A HN 0.175 8.157 8.150 -0.280 0.000 0.412 3 Q N 4.579 124.352 119.800 -0.046 0.000 2.394 3 Q HA 0.330 4.679 4.340 0.015 0.000 0.259 3 Q C -0.851 175.129 176.000 -0.033 0.000 1.021 3 Q CA -1.458 54.362 55.803 0.029 0.000 0.805 3 Q CB 2.062 30.889 28.738 0.149 0.000 1.226 3 Q HN 0.764 8.880 8.270 -0.068 0.114 0.476 4 T N 4.167 118.696 114.554 -0.041 0.000 2.899 4 T HA -0.007 4.306 4.350 -0.061 0.000 0.295 4 T C 0.284 174.977 174.700 -0.012 0.000 1.033 4 T CA -0.037 62.041 62.100 -0.038 0.000 1.084 4 T CB 0.810 69.664 68.868 -0.023 0.000 0.979 4 T HN 0.348 8.567 8.240 -0.035 0.000 0.532 5 N N -0.228 118.473 118.700 0.001 0.000 2.725 5 N HA -0.485 4.273 4.740 0.031 0.000 0.251 5 N C -1.033 174.491 175.510 0.023 0.000 1.031 5 N CA 0.965 54.027 53.050 0.020 0.000 0.720 5 N CB -1.142 37.357 38.487 0.020 0.000 0.930 5 N HN 0.514 8.893 8.380 -0.002 0.000 0.543 6 A N -1.205 121.630 122.820 0.024 0.000 2.313 6 A HA 0.219 4.658 4.320 -0.007 -0.123 0.261 6 A C -2.186 175.419 177.584 0.035 0.000 1.090 6 A CA -1.399 50.647 52.037 0.015 0.000 0.807 6 A CB 0.464 19.485 19.000 0.035 0.000 1.055 6 A HN 0.001 8.160 8.150 0.023 0.005 0.492 7 P HA -0.103 4.376 4.420 0.097 0.000 0.265 7 P C 0.664 177.959 177.300 -0.008 0.000 1.187 7 P CA 0.055 63.172 63.100 0.029 0.000 0.766 7 P CB 0.393 32.090 31.700 -0.006 0.000 0.820 8 W N 3.214 124.518 121.300 0.007 0.000 2.342 8 W HA -0.341 4.304 4.660 -0.025 0.000 0.297 8 W C 1.262 177.763 176.519 -0.031 0.000 1.213 8 W CA 2.854 60.186 57.345 -0.021 0.000 1.251 8 W CB -1.222 28.210 29.460 -0.047 0.000 1.136 8 W HN 0.567 8.920 8.180 0.288 0.000 0.526 9 G N 0.325 108.495 108.800 -1.050 0.000 2.422 9 G HA2 -0.407 2.664 3.960 -1.483 0.000 0.218 9 G HA3 -0.407 2.885 3.960 -1.114 0.000 0.218 9 G C 0.727 175.355 174.900 -0.453 0.000 1.146 9 G CA 1.627 46.065 45.100 -1.104 0.000 0.769 9 G HN 0.208 7.745 8.290 -1.234 0.013 0.547 10 L N 1.635 122.643 121.223 -0.358 0.000 2.027 10 L HA -0.391 3.553 4.340 -0.661 0.000 0.206 10 L C 2.211 178.874 176.870 -0.345 0.000 1.074 10 L CA 2.430 56.915 54.840 -0.591 0.000 0.745 10 L CB -0.403 41.186 42.059 -0.785 0.000 0.898 10 L HN -0.746 7.288 8.230 -0.326 0.000 0.433 11 A N -1.934 120.838 122.820 -0.080 0.000 1.908 11 A HA -0.261 4.297 4.320 0.189 -0.124 0.218 11 A C 2.650 180.328 177.584 0.157 0.000 1.181 11 A CA 2.643 54.748 52.037 0.113 0.000 0.627 11 A CB -0.660 18.416 19.000 0.128 0.000 0.818 11 A HN -0.257 7.837 8.150 -0.093 0.000 0.445 12 R N -0.754 119.811 120.500 0.108 0.000 2.081 12 R HA -0.247 4.205 4.340 0.186 0.000 0.235 12 R C 2.538 178.930 176.300 0.152 0.000 1.131 12 R CA 2.219 58.410 56.100 0.152 0.000 0.960 12 R CB -0.383 30.036 30.300 0.198 0.000 0.856 12 R HN -0.046 8.154 8.270 0.040 0.093 0.436 13 I N -2.147 118.473 120.570 0.083 0.000 2.423 13 I HA -0.235 4.209 4.170 0.174 -0.170 0.254 13 I C 0.385 176.706 176.117 0.340 0.000 1.151 13 I CA 1.683 63.073 61.300 0.151 0.000 1.421 13 I CB -0.736 37.262 38.000 -0.003 0.000 1.079 13 I HN -0.200 7.970 8.210 -0.038 0.017 0.431 14 S N -6.278 109.661 115.700 0.398 0.000 2.588 14 S HA 0.255 5.193 4.470 0.455 -0.195 0.245 14 S C -0.314 174.628 174.600 0.570 0.000 1.021 14 S CA -1.175 57.333 58.200 0.513 0.000 1.006 14 S CB 0.361 63.912 63.200 0.585 0.000 0.830 14 S HN -0.624 7.730 8.310 0.325 0.151 0.468 15 S N 0.058 116.044 115.700 0.477 0.000 2.569 15 S HA 0.231 4.886 4.470 0.308 0.000 0.280 15 S C -0.137 174.434 174.600 -0.047 0.000 1.111 15 S CA -1.921 56.442 58.200 0.271 0.000 0.887 15 S CB 1.611 64.937 63.200 0.210 0.000 1.095 15 S HN -0.620 7.885 8.310 0.448 0.074 0.476 16 T N 0.742 115.203 114.554 -0.156 0.000 3.129 16 T HA 0.041 4.280 4.350 -0.470 -0.171 0.251 16 T C -0.020 174.598 174.700 -0.137 0.000 1.117 16 T CA 0.030 61.940 62.100 -0.317 0.000 1.034 16 T CB -0.013 68.704 68.868 -0.252 0.000 0.968 16 T HN 0.379 8.606 8.240 -0.021 0.000 0.526 17 S N 2.408 118.081 115.700 -0.044 0.000 2.569 17 S HA 0.434 4.885 4.470 -0.032 0.000 0.280 17 S C -2.237 172.372 174.600 0.016 0.000 1.111 17 S CA -2.915 55.275 58.200 -0.016 0.000 0.887 17 S CB 1.496 64.695 63.200 -0.003 0.000 1.095 17 S HN -0.353 7.884 8.310 -0.009 0.067 0.476 18 P HA -0.005 4.435 4.420 0.034 0.000 0.274 18 P C 0.349 177.638 177.300 -0.018 0.000 1.246 18 P CA 0.287 63.381 63.100 -0.009 0.000 0.795 18 P CB 0.299 31.963 31.700 -0.061 0.000 1.006 19 G N -0.227 108.545 108.800 -0.047 0.000 2.175 19 G HA2 -0.303 3.588 3.960 -0.116 0.000 0.244 19 G HA3 -0.303 3.630 3.960 -0.044 0.000 0.244 19 G C -0.074 174.838 174.900 0.019 0.000 0.982 19 G CA -0.089 44.981 45.100 -0.049 0.000 0.641 19 G HN 0.564 8.823 8.290 -0.050 0.000 0.527 20 T N -2.024 112.572 114.554 0.069 0.000 2.847 20 T HA 0.230 4.632 4.350 0.087 0.000 0.279 20 T C 0.104 174.867 174.700 0.104 0.000 0.984 20 T CA -1.069 61.093 62.100 0.103 0.000 0.988 20 T CB 1.989 70.952 68.868 0.158 0.000 1.040 20 T HN -0.422 7.817 8.240 0.081 0.050 0.528 21 S N -2.157 113.598 115.700 0.091 0.000 2.733 21 S HA 0.171 4.694 4.470 0.089 0.000 0.247 21 S C -0.817 173.802 174.600 0.032 0.000 1.043 21 S CA -0.402 57.840 58.200 0.071 0.000 1.066 21 S CB 1.330 64.564 63.200 0.055 0.000 1.045 21 S HN 0.345 8.712 8.310 0.096 0.000 0.586 22 T N 4.408 118.953 114.554 -0.014 0.000 2.795 22 T HA 0.550 5.016 4.350 -0.134 -0.197 0.282 22 T C -1.212 173.373 174.700 -0.192 0.000 0.980 22 T CA 0.163 62.148 62.100 -0.193 0.000 1.012 22 T CB 2.015 70.606 68.868 -0.462 0.000 0.936 22 T HN -0.839 7.423 8.240 0.037 0.000 0.457 23 Y N 9.486 129.639 120.300 -0.245 0.000 2.425 23 Y HA 0.129 4.661 4.550 -0.030 0.000 0.347 23 Y C -2.189 173.669 175.900 -0.069 0.000 0.976 23 Y CA -3.337 54.708 58.100 -0.092 0.000 1.190 23 Y CB 0.721 39.160 38.460 -0.035 0.000 1.136 23 Y HN 0.732 9.020 8.280 0.013 0.000 0.517 24 Y N 8.669 129.021 120.300 0.087 0.000 2.320 24 Y HA 0.411 5.017 4.550 -0.206 -0.179 0.334 24 Y C -0.809 174.836 175.900 -0.425 0.000 1.055 24 Y CA -1.184 56.862 58.100 -0.091 0.000 1.143 24 Y CB 1.255 39.845 38.460 0.215 0.000 1.193 24 Y HN -0.141 8.370 8.280 0.385 0.000 0.477 25 Y N -1.767 118.017 120.300 -0.860 0.000 2.592 25 Y HA 0.176 4.081 4.550 -1.075 0.000 0.334 25 Y C -2.420 172.825 175.900 -1.092 0.000 1.136 25 Y CA -2.187 55.252 58.100 -1.102 0.000 1.042 25 Y CB 2.304 40.147 38.460 -1.028 0.000 1.325 25 Y HN 0.174 7.846 8.280 -1.014 0.000 0.457 26 D N 1.365 121.397 120.400 -0.615 0.000 2.424 26 D HA -0.017 4.427 4.640 -0.326 0.000 0.244 26 D C 1.099 177.382 176.300 -0.027 0.000 1.134 26 D CA 0.278 54.144 54.000 -0.223 0.000 0.881 26 D CB 2.262 43.086 40.800 0.041 0.000 1.191 26 D HN 0.027 8.396 8.370 -0.002 0.000 0.445 27 E N 7.759 127.898 120.200 -0.101 0.000 2.267 27 E HA -0.381 3.942 4.350 -0.046 0.000 0.197 27 E C 1.083 177.717 176.600 0.056 0.000 0.998 27 E CA 2.831 59.215 56.400 -0.026 0.000 0.830 27 E CB -0.046 29.619 29.700 -0.059 0.000 0.751 27 E HN 0.651 8.949 8.360 -0.104 0.000 0.491 28 S N -0.687 115.030 115.700 0.028 0.000 2.383 28 S HA -0.358 4.114 4.470 0.003 0.000 0.229 28 S C 0.981 175.611 174.600 0.050 0.000 1.030 28 S CA 2.551 60.754 58.200 0.006 0.000 1.002 28 S CB 0.218 63.382 63.200 -0.060 0.000 0.829 28 S HN -0.136 8.498 8.310 0.003 -0.322 0.467 29 A N 0.802 123.712 122.820 0.149 0.000 2.822 29 A HA -0.407 4.136 4.320 0.372 0.000 0.287 29 A C -0.283 177.377 177.584 0.127 0.000 1.479 29 A CA 0.615 52.782 52.037 0.217 0.000 0.779 29 A CB -1.908 17.193 19.000 0.168 0.000 1.022 29 A HN -0.231 8.023 8.150 0.178 0.003 0.532 30 G N -6.480 102.370 108.800 0.083 0.000 2.148 30 G HA2 -0.598 3.368 3.960 0.010 0.000 0.254 30 G HA3 -0.598 3.400 3.960 0.062 0.000 0.254 30 G C -0.409 174.487 174.900 -0.007 0.000 0.981 30 G CA -0.064 45.057 45.100 0.036 0.000 0.670 30 G HN 0.370 8.649 8.290 0.020 0.024 0.528 31 Q N 0.829 120.623 119.800 -0.009 0.000 2.315 31 Q HA -0.420 4.091 4.340 -0.026 -0.186 0.289 31 Q C 0.397 176.379 176.000 -0.030 0.000 1.044 31 Q CA 1.838 57.629 55.803 -0.021 0.000 0.920 31 Q CB 0.383 29.113 28.738 -0.013 0.000 1.214 31 Q HN -0.428 7.676 8.270 0.002 0.167 0.392 32 G N 3.414 112.194 108.800 -0.033 0.000 2.199 32 G HA2 -0.426 3.521 3.960 -0.022 0.000 0.254 32 G HA3 -0.426 3.520 3.960 -0.024 0.000 0.254 32 G C -0.676 174.209 174.900 -0.025 0.000 0.982 32 G CA -0.100 44.984 45.100 -0.026 0.000 0.632 32 G HN 0.615 8.881 8.290 -0.039 0.000 0.529 33 S N 0.720 116.399 115.700 -0.034 0.000 2.713 33 S HA 0.891 5.547 4.470 -0.007 -0.190 0.283 33 S C -0.740 173.819 174.600 -0.068 0.000 1.161 33 S CA -1.682 56.502 58.200 -0.027 0.000 0.999 33 S CB 3.044 66.234 63.200 -0.016 0.000 1.039 33 S HN -0.410 7.785 8.310 -0.039 0.092 0.548 34 c N 0.166 118.738 118.600 -0.046 0.000 2.609 34 c HA 0.839 5.455 4.570 -0.315 -0.235 0.313 34 c C -1.502 172.552 174.090 -0.060 0.000 1.175 34 c CA -1.786 54.455 56.329 -0.146 0.000 1.434 34 c CB 3.989 46.487 42.510 -0.019 0.000 2.005 34 c HN 0.404 8.642 8.230 0.013 0.000 0.471 35 V N 2.727 122.537 119.914 -0.173 0.000 2.443 35 V HA 0.631 5.066 4.120 0.113 -0.247 0.293 35 V C -0.940 175.138 176.094 -0.027 0.000 1.021 35 V CA -1.716 60.572 62.300 -0.020 0.000 0.848 35 V CB 1.932 33.734 31.823 -0.034 0.000 0.998 35 V HN 1.027 9.002 8.190 -0.359 0.000 0.424 36 Y N 7.026 127.395 120.300 0.115 0.000 2.336 36 Y HA 0.313 5.225 4.550 0.220 -0.229 0.335 36 Y C -0.452 175.505 175.900 0.094 0.000 1.046 36 Y CA -0.567 57.635 58.100 0.169 0.000 1.198 36 Y CB 1.013 39.595 38.460 0.203 0.000 1.182 36 Y HN 0.974 9.551 8.280 0.496 0.000 0.502 37 V N 4.396 124.427 119.914 0.194 0.000 2.311 37 V HA 0.203 4.529 4.120 0.117 -0.136 0.275 37 V C -1.075 175.107 176.094 0.146 0.000 1.022 37 V CA -0.919 61.452 62.300 0.118 0.000 0.830 37 V CB -0.066 31.774 31.823 0.029 0.000 1.012 37 V HN 1.008 9.295 8.190 0.161 0.000 0.452 38 I N 9.319 129.979 120.570 0.151 0.000 2.287 38 I HA 0.382 4.830 4.170 0.165 -0.178 0.290 38 I C -1.335 174.858 176.117 0.126 0.000 1.069 38 I CA -0.086 61.302 61.300 0.148 0.000 1.237 38 I CB -0.642 37.440 38.000 0.137 0.000 1.418 38 I HN 0.444 8.739 8.210 0.142 0.000 0.481 39 D N 6.654 127.127 120.400 0.120 0.000 4.052 39 D HA 0.248 4.960 4.640 0.119 0.000 0.347 39 D C -0.630 175.719 176.300 0.081 0.000 1.574 39 D CA 0.091 54.162 54.000 0.118 0.000 0.972 39 D CB 2.687 43.575 40.800 0.147 0.000 1.472 39 D HN 0.427 8.871 8.370 0.123 0.000 0.623 40 T N -0.142 114.445 114.554 0.055 0.000 3.148 40 T HA 0.076 4.577 4.350 -0.032 -0.171 0.253 40 T C 0.135 174.822 174.700 -0.022 0.000 1.134 40 T CA 0.944 63.032 62.100 -0.020 0.000 1.051 40 T CB 0.197 69.029 68.868 -0.060 0.000 0.959 40 T HN 0.295 8.601 8.240 0.109 0.000 0.525 41 G N -0.819 107.986 108.800 0.007 0.000 2.434 41 G HA2 -0.222 3.743 3.960 0.009 0.000 0.671 41 G HA3 -0.222 3.728 3.960 -0.016 0.000 0.671 41 G C -3.147 171.731 174.900 -0.036 0.000 1.280 41 G CA -0.739 44.356 45.100 -0.008 0.000 0.975 41 G HN -0.611 7.607 8.290 0.035 0.093 0.510 42 I N -1.399 119.138 120.570 -0.054 0.000 2.569 42 I HA 0.151 4.280 4.170 -0.070 0.000 0.290 42 I C -1.316 174.778 176.117 -0.039 0.000 1.088 42 I CA -0.988 60.256 61.300 -0.093 0.000 1.047 42 I CB 4.036 41.891 38.000 -0.241 0.000 1.237 42 I HN -0.291 7.893 8.210 -0.043 0.000 0.421 43 E N 7.245 127.480 120.200 0.057 0.000 1.791 43 E HA 0.006 4.400 4.350 0.073 0.000 0.263 43 E C 0.205 176.940 176.600 0.225 0.000 1.213 43 E CA -1.104 55.372 56.400 0.128 0.000 0.991 43 E CB -0.293 29.504 29.700 0.161 0.000 1.068 43 E HN 0.477 8.888 8.360 0.086 0.000 0.417 44 A N 6.925 129.796 122.820 0.086 0.000 2.019 44 A HA -0.303 4.001 4.320 -0.026 0.000 0.219 44 A C 0.681 178.395 177.584 0.216 0.000 1.164 44 A CA 2.911 54.993 52.037 0.075 0.000 0.644 44 A CB -0.187 18.804 19.000 -0.016 0.000 0.805 44 A HN -0.349 7.805 8.150 0.029 0.014 0.449 45 S N -3.828 111.976 115.700 0.174 0.000 2.555 45 S HA -0.272 4.267 4.470 0.115 0.000 0.230 45 S C -0.187 174.519 174.600 0.176 0.000 0.978 45 S CA 0.103 58.387 58.200 0.140 0.000 0.934 45 S CB -0.358 62.886 63.200 0.074 0.000 0.766 45 S HN -0.301 8.051 8.310 0.140 0.042 0.533 46 H N 6.123 125.303 119.070 0.183 0.000 3.034 46 H HA -0.037 4.543 4.556 0.040 0.000 0.324 46 H C -0.386 174.946 175.328 0.007 0.000 1.015 46 H CA 0.244 56.331 56.048 0.065 0.000 1.429 46 H CB 1.175 30.925 29.762 -0.020 0.000 1.429 46 H HN -0.590 7.787 8.280 0.447 0.171 0.585 47 P HA -0.252 4.214 4.420 0.075 0.000 0.217 47 P C 1.057 178.421 177.300 0.107 0.000 1.148 47 P CA 2.132 65.295 63.100 0.104 0.000 0.828 47 P CB 0.151 31.870 31.700 0.031 0.000 0.783 48 E N -2.603 117.685 120.200 0.147 0.000 2.333 48 E HA -0.238 4.057 4.350 -0.092 0.000 0.198 48 E C 1.227 177.649 176.600 -0.296 0.000 1.007 48 E CA 2.339 58.625 56.400 -0.190 0.000 0.845 48 E CB -0.527 28.894 29.700 -0.465 0.000 0.766 48 E HN -0.352 8.398 8.360 0.714 0.038 0.507 49 F N -2.997 116.975 119.950 0.036 0.000 2.664 49 F HA 0.054 4.555 4.527 -0.044 0.000 0.296 49 F C 0.018 175.812 175.800 -0.010 0.000 1.125 49 F CA -0.407 57.586 58.000 -0.012 0.000 1.444 49 F CB 0.178 39.171 39.000 -0.012 0.000 1.114 49 F HN 0.018 8.120 8.300 -0.061 0.162 0.576 50 E N -2.369 117.918 120.200 0.144 0.000 2.722 50 E HA -0.405 3.982 4.350 0.062 0.000 0.265 50 E C 0.342 176.987 176.600 0.074 0.000 1.081 50 E CA 0.814 57.262 56.400 0.080 0.000 0.781 50 E CB -2.458 27.268 29.700 0.044 0.000 1.372 50 E HN -0.303 8.027 8.360 0.130 0.108 0.423 51 G N -4.839 104.019 108.800 0.097 0.000 2.179 51 G HA2 -0.440 3.560 3.960 0.066 0.000 0.260 51 G HA3 -0.440 3.547 3.960 0.045 0.000 0.260 51 G C 0.329 175.246 174.900 0.028 0.000 0.977 51 G CA 0.336 45.471 45.100 0.059 0.000 0.641 51 G HN 0.428 8.778 8.290 0.150 0.030 0.533 52 R N -2.301 118.217 120.500 0.029 0.000 2.310 52 R HA -0.068 4.234 4.340 -0.063 0.000 0.202 52 R C -1.316 174.904 176.300 -0.134 0.000 0.933 52 R CA 0.119 56.192 56.100 -0.044 0.000 1.054 52 R CB 0.696 30.977 30.300 -0.032 0.000 0.985 52 R HN 0.199 8.334 8.270 0.085 0.186 0.489 53 A N -2.840 119.903 122.820 -0.129 0.000 2.340 53 A HA 0.799 5.122 4.320 -0.332 -0.203 0.331 53 A C -1.676 175.827 177.584 -0.134 0.000 1.140 53 A CA -1.911 49.963 52.037 -0.271 0.000 0.801 53 A CB 2.469 21.105 19.000 -0.606 0.000 1.234 53 A HN -0.543 7.533 8.150 -0.024 0.059 0.469 54 Q N 0.073 119.820 119.800 -0.089 0.000 2.426 54 Q HA 0.302 4.630 4.340 -0.019 0.000 0.278 54 Q C -1.481 174.543 176.000 0.040 0.000 1.007 54 Q CA -1.348 54.460 55.803 0.009 0.000 0.850 54 Q CB 3.671 32.457 28.738 0.080 0.000 1.427 54 Q HN 0.366 8.558 8.270 -0.130 0.000 0.391 55 M N 2.739 122.347 119.600 0.015 0.000 2.217 55 M HA -0.095 4.519 4.480 0.022 -0.120 0.354 55 M C 0.406 176.719 176.300 0.023 0.000 1.225 55 M CA -0.046 55.262 55.300 0.013 0.000 1.137 55 M CB -0.375 32.217 32.600 -0.012 0.000 1.576 55 M HN 0.410 8.701 8.290 0.001 0.000 0.461 56 V N -2.209 117.721 119.914 0.025 0.000 3.562 56 V HA 0.286 4.411 4.120 0.007 0.000 0.270 56 V C -0.570 175.463 176.094 -0.102 0.000 1.418 56 V CA -1.292 61.020 62.300 0.019 0.000 1.033 56 V CB 1.662 33.530 31.823 0.075 0.000 0.820 56 V HN 0.736 8.951 8.190 0.040 0.000 0.441 57 K N -0.836 119.422 120.400 -0.237 0.000 2.572 57 K HA 0.247 4.263 4.320 -0.506 0.000 0.263 57 K C -2.662 173.708 176.600 -0.382 0.000 0.932 57 K CA -0.027 55.940 56.287 -0.533 0.000 0.838 57 K CB 3.336 35.089 32.500 -1.244 0.000 1.366 57 K HN -0.628 7.549 8.250 -0.122 0.000 0.425 58 T N 4.553 118.843 114.554 -0.439 0.000 2.912 58 T HA 0.357 4.735 4.350 -0.155 -0.120 0.299 58 T C -0.983 173.396 174.700 -0.535 0.000 1.052 58 T CA -0.996 60.933 62.100 -0.284 0.000 0.996 58 T CB 0.938 69.748 68.868 -0.096 0.000 1.070 58 T HN 0.029 7.971 8.240 -0.497 0.000 0.465 59 Y N 5.272 125.451 120.300 -0.201 0.000 2.524 59 Y HA 0.100 4.421 4.550 -0.383 0.000 0.266 59 Y C -0.910 174.489 175.900 -0.834 0.000 1.180 59 Y CA 0.022 57.841 58.100 -0.468 0.000 1.244 59 Y CB 0.974 39.133 38.460 -0.501 0.000 1.125 59 Y HN 0.388 8.745 8.280 0.128 0.000 0.524 60 Y N -2.717 117.495 120.300 -0.148 0.000 2.753 60 Y HA 0.075 4.369 4.550 -0.426 0.000 0.324 60 Y C -0.425 175.303 175.900 -0.288 0.000 1.147 60 Y CA -1.214 56.712 58.100 -0.290 0.000 1.173 60 Y CB 1.168 39.544 38.460 -0.140 0.000 1.361 60 Y HN -0.396 7.796 8.280 -0.024 0.074 0.545 61 Y N -2.546 117.849 120.300 0.157 0.000 2.274 61 Y HA -0.207 4.362 4.550 0.032 0.000 0.290 61 Y C 0.426 176.350 175.900 0.040 0.000 1.145 61 Y CA 1.688 59.827 58.100 0.065 0.000 1.203 61 Y CB 0.448 38.945 38.460 0.061 0.000 0.984 61 Y HN 0.124 8.251 8.280 -0.256 0.000 0.533 62 S N -4.028 111.788 115.700 0.192 0.000 2.632 62 S HA 0.281 4.797 4.470 0.075 0.000 0.289 62 S C 0.033 174.672 174.600 0.065 0.000 1.115 62 S CA -1.978 56.283 58.200 0.102 0.000 0.889 62 S CB 0.860 64.117 63.200 0.095 0.000 1.116 62 S HN -0.796 7.641 8.310 0.245 0.020 0.486 63 S N 2.049 117.764 115.700 0.025 0.000 2.593 63 S HA 0.076 4.549 4.470 0.006 0.000 0.217 63 S C 0.009 174.613 174.600 0.008 0.000 0.966 63 S CA 0.121 58.325 58.200 0.007 0.000 0.914 63 S CB 0.216 63.405 63.200 -0.018 0.000 0.776 63 S HN 0.428 8.751 8.310 0.021 0.000 0.523 64 R N 2.524 123.032 120.500 0.013 0.000 2.537 64 R HA -0.188 4.151 4.340 -0.001 0.000 0.280 64 R C -0.908 175.380 176.300 -0.019 0.000 1.058 64 R CA 0.756 56.857 56.100 0.000 0.000 1.057 64 R CB 0.896 31.199 30.300 0.006 0.000 0.973 64 R HN -0.661 7.551 8.270 0.026 0.073 0.438 65 D N 3.371 123.749 120.400 -0.037 0.000 2.374 65 D HA -0.015 4.697 4.640 -0.079 -0.119 0.240 65 D C 0.441 176.686 176.300 -0.092 0.000 1.229 65 D CA -0.139 53.816 54.000 -0.075 0.000 0.895 65 D CB -0.455 40.288 40.800 -0.096 0.000 1.046 65 D HN 0.163 8.517 8.370 -0.027 0.000 0.498 66 G N 4.066 112.816 108.800 -0.085 0.000 3.141 66 G HA2 -0.017 3.908 3.960 -0.058 0.000 0.218 66 G HA3 -0.017 4.108 3.960 -0.052 -0.196 0.218 66 G C -0.677 174.170 174.900 -0.089 0.000 1.170 66 G CA -0.101 44.957 45.100 -0.071 0.000 0.769 66 G HN 0.174 8.671 8.290 -0.086 -0.259 0.546 67 N N -0.032 118.580 118.700 -0.147 0.000 2.684 67 N HA -0.041 4.658 4.740 -0.069 0.000 0.220 67 N C -0.338 174.937 175.510 -0.391 0.000 1.037 67 N CA 1.302 54.260 53.050 -0.153 0.000 0.975 67 N CB 2.478 40.892 38.487 -0.121 0.000 1.426 67 N HN -0.401 8.100 8.380 -0.167 -0.221 0.450 68 G N -2.537 105.863 108.800 -0.666 0.000 2.391 68 G HA2 -0.354 2.915 3.960 -1.240 0.000 0.204 68 G HA3 -0.354 1.890 3.960 -2.861 0.000 0.204 68 G C 0.337 174.565 174.900 -1.120 0.000 1.012 68 G CA 0.304 44.465 45.100 -1.565 0.000 0.651 68 G HN -0.033 8.505 8.290 -0.410 -0.494 0.494 69 H N 5.023 123.727 119.070 -0.610 0.000 2.319 69 H HA -0.358 4.172 4.556 -0.044 0.000 0.299 69 H C 0.907 176.190 175.328 -0.075 0.000 1.092 69 H CA 5.044 60.987 56.048 -0.175 0.000 1.302 69 H CB 0.290 30.019 29.762 -0.055 0.000 1.373 69 H HN -0.003 8.319 8.280 -0.300 -0.223 0.497 70 G N -2.440 106.373 108.800 0.021 0.000 2.408 70 G HA2 -0.320 3.733 3.960 0.050 0.000 0.217 70 G HA3 -0.320 3.823 3.960 0.020 -0.171 0.217 70 G C 1.340 176.223 174.900 -0.029 0.000 1.150 70 G CA 2.055 47.163 45.100 0.013 0.000 0.776 70 G HN 0.383 8.682 8.290 0.014 0.000 0.542 71 T N 4.475 118.989 114.554 -0.066 0.000 2.788 71 T HA -0.359 4.041 4.350 0.084 0.000 0.268 71 T C 1.510 176.267 174.700 0.095 0.000 1.044 71 T CA 5.278 67.400 62.100 0.035 0.000 1.139 71 T CB -0.473 68.388 68.868 -0.012 0.000 0.867 71 T HN -0.483 7.883 8.240 -0.155 -0.219 0.454 72 H N 3.691 122.736 119.070 -0.042 0.000 2.321 72 H HA -0.082 4.776 4.556 0.076 -0.256 0.300 72 H C 2.559 177.863 175.328 -0.041 0.000 1.087 72 H CA 4.255 60.321 56.048 0.030 0.000 1.319 72 H CB 0.248 30.120 29.762 0.183 0.000 1.379 72 H HN -0.014 8.182 8.280 0.020 0.096 0.501 73 C N -1.047 118.276 119.300 0.039 0.000 2.432 73 C HA -0.499 3.950 4.460 -0.018 0.000 0.277 73 C C 1.899 176.869 174.990 -0.033 0.000 1.249 73 C CA 5.041 64.044 59.018 -0.025 0.000 1.725 73 C CB -0.143 27.556 27.740 -0.067 0.000 2.028 73 C HN 0.178 8.408 8.230 0.001 0.000 0.477 74 A N -1.078 121.742 122.820 -0.000 0.000 1.940 74 A HA -0.291 4.007 4.320 -0.036 0.000 0.219 74 A C 1.706 179.374 177.584 0.139 0.000 1.176 74 A CA 3.290 55.331 52.037 0.007 0.000 0.631 74 A CB -0.971 17.962 19.000 -0.111 0.000 0.814 74 A HN 0.444 8.597 8.150 0.006 0.000 0.446 75 G N -2.470 106.429 108.800 0.164 0.000 2.422 75 G HA2 -0.311 3.752 3.960 0.172 0.000 0.218 75 G HA3 -0.311 3.579 3.960 -0.116 0.000 0.218 75 G C 1.907 176.753 174.900 -0.090 0.000 1.146 75 G CA 2.157 47.282 45.100 0.042 0.000 0.769 75 G HN 0.118 8.379 8.290 0.117 0.100 0.547 76 T N 5.251 119.692 114.554 -0.187 0.000 2.904 76 T HA -0.134 4.185 4.350 -0.333 -0.169 0.267 76 T C 1.740 176.280 174.700 -0.268 0.000 1.059 76 T CA 3.901 65.815 62.100 -0.309 0.000 1.137 76 T CB -0.252 68.375 68.868 -0.402 0.000 0.879 76 T HN -0.333 7.694 8.240 -0.176 0.108 0.467 77 V N 1.020 120.845 119.914 -0.148 0.000 2.261 77 V HA -0.255 3.791 4.120 -0.123 0.000 0.246 77 V C 1.513 177.554 176.094 -0.088 0.000 1.047 77 V CA 4.008 66.243 62.300 -0.107 0.000 1.015 77 V CB -0.115 31.671 31.823 -0.061 0.000 0.642 77 V HN -0.122 7.918 8.190 -0.107 0.087 0.446 78 G N -6.183 102.596 108.800 -0.034 0.000 4.399 78 G HA2 0.266 4.336 3.960 -0.050 0.000 0.268 78 G HA3 0.266 4.220 3.960 -0.009 0.000 0.268 78 G C -1.791 173.143 174.900 0.056 0.000 1.038 78 G CA -0.242 44.853 45.100 -0.007 0.000 0.811 78 G HN 0.106 8.402 8.290 0.011 0.000 0.408 79 S N 0.926 116.651 115.700 0.042 0.000 2.600 79 S HA 0.137 4.707 4.470 -0.007 -0.105 0.265 79 S C 0.531 175.049 174.600 -0.136 0.000 1.325 79 S CA -0.440 57.715 58.200 -0.075 0.000 1.002 79 S CB 1.878 64.927 63.200 -0.252 0.000 0.921 79 S HN -0.325 7.878 8.310 0.018 0.117 0.554 80 R N 1.923 122.325 120.500 -0.163 0.000 2.082 80 R HA -0.349 3.917 4.340 -0.123 0.000 0.234 80 R C 1.971 178.111 176.300 -0.266 0.000 1.136 80 R CA 3.931 59.930 56.100 -0.168 0.000 0.935 80 R CB -0.102 30.116 30.300 -0.137 0.000 0.842 80 R HN 0.604 8.770 8.270 -0.174 0.000 0.430 81 T N -1.473 112.805 114.554 -0.460 0.000 2.978 81 T HA -0.076 3.994 4.350 -0.467 0.000 0.262 81 T C 1.703 175.924 174.700 -0.799 0.000 1.063 81 T CA 4.026 65.695 62.100 -0.719 0.000 1.140 81 T CB 0.662 68.860 68.868 -1.116 0.000 0.886 81 T HN 0.362 8.787 8.240 -0.451 -0.455 0.470 82 Y N -1.359 118.821 120.300 -0.200 0.000 2.467 82 Y HA 0.041 4.458 4.550 -0.222 0.000 0.250 82 Y C -0.366 175.359 175.900 -0.292 0.000 1.155 82 Y CA -0.486 57.467 58.100 -0.245 0.000 1.249 82 Y CB 0.108 38.399 38.460 -0.282 0.000 1.146 82 Y HN -0.527 7.448 8.280 -0.507 0.000 0.524 83 G N -2.077 106.606 108.800 -0.194 0.000 2.412 83 G HA2 0.233 4.237 3.960 -0.221 0.000 0.318 83 G HA3 0.233 4.284 3.960 -0.152 -0.182 0.318 83 G C -0.387 174.363 174.900 -0.250 0.000 1.146 83 G CA -1.129 43.848 45.100 -0.205 0.000 0.882 83 G HN -0.585 7.516 8.290 -0.222 0.056 0.501 84 V N 3.149 122.907 119.914 -0.261 0.000 2.323 84 V HA -0.223 3.694 4.120 -0.338 0.000 0.244 84 V C 0.469 176.491 176.094 -0.120 0.000 1.041 84 V CA 2.889 65.052 62.300 -0.228 0.000 1.025 84 V CB 0.319 32.023 31.823 -0.199 0.000 0.656 84 V HN 0.370 8.407 8.190 -0.256 0.000 0.451 85 A N -1.617 121.154 122.820 -0.081 0.000 2.801 85 A HA 0.234 4.572 4.320 0.030 0.000 0.344 85 A C -0.781 176.778 177.584 -0.042 0.000 1.322 85 A CA -1.343 50.691 52.037 -0.006 0.000 0.913 85 A CB -0.928 18.098 19.000 0.044 0.000 1.140 85 A HN 0.172 8.266 8.150 -0.094 0.000 0.487 86 K N 3.174 123.524 120.400 -0.083 0.000 2.504 86 K HA -0.144 4.127 4.320 -0.082 0.000 0.195 86 K C 0.765 177.348 176.600 -0.029 0.000 1.036 86 K CA 2.068 58.306 56.287 -0.081 0.000 0.984 86 K CB -0.044 32.375 32.500 -0.135 0.000 0.788 86 K HN 0.483 8.659 8.250 -0.124 0.000 0.488 87 K N -4.415 115.979 120.400 -0.010 0.000 2.469 87 K HA 0.327 4.640 4.320 -0.011 0.000 0.204 87 K C -0.639 175.942 176.600 -0.032 0.000 1.047 87 K CA -0.956 55.326 56.287 -0.009 0.000 1.072 87 K CB 1.167 33.672 32.500 0.008 0.000 0.863 87 K HN -0.038 8.148 8.250 0.001 0.065 0.530 88 T N 2.319 116.846 114.554 -0.044 0.000 2.813 88 T HA -0.042 4.409 4.350 -0.079 -0.148 0.297 88 T C -1.113 173.497 174.700 -0.149 0.000 1.036 88 T CA 1.059 63.108 62.100 -0.085 0.000 1.044 88 T CB 1.559 70.380 68.868 -0.079 0.000 0.993 88 T HN -0.554 7.666 8.240 -0.033 0.000 0.535 89 Q N 4.420 124.074 119.800 -0.244 0.000 2.257 89 Q HA 0.561 4.865 4.340 -0.365 -0.184 0.255 89 Q C -1.354 174.282 176.000 -0.607 0.000 0.920 89 Q CA -1.102 54.447 55.803 -0.423 0.000 0.927 89 Q CB 1.445 29.867 28.738 -0.527 0.000 1.229 89 Q HN -0.121 8.016 8.270 -0.221 0.000 0.433 90 L N 6.191 127.061 121.223 -0.587 0.000 2.322 90 L HA 0.778 5.032 4.340 -0.483 -0.204 0.281 90 L C -1.237 175.283 176.870 -0.584 0.000 1.014 90 L CA -1.101 53.418 54.840 -0.535 0.000 0.815 90 L CB 2.199 44.014 42.059 -0.407 0.000 1.247 90 L HN 0.831 8.675 8.230 -0.466 0.106 0.421 91 F N 1.469 121.234 119.950 -0.309 0.000 2.493 91 F HA 0.834 5.449 4.527 -0.232 -0.227 0.329 91 F C 0.163 175.883 175.800 -0.134 0.000 1.126 91 F CA -2.913 54.906 58.000 -0.303 0.000 0.937 91 F CB 2.944 41.543 39.000 -0.669 0.000 1.146 91 F HN 0.847 8.939 8.300 -0.346 0.000 0.442 92 G N 1.986 110.852 108.800 0.110 0.000 2.332 92 G HA2 0.556 4.694 3.960 0.070 0.000 0.310 92 G HA3 0.556 4.524 3.960 0.014 0.000 0.310 92 G C -2.275 172.696 174.900 0.118 0.000 1.123 92 G CA -1.136 44.009 45.100 0.076 0.000 0.873 92 G HN 1.023 9.269 8.290 0.107 0.108 0.460 93 V N 5.112 125.115 119.914 0.147 0.000 2.349 93 V HA 0.423 4.751 4.120 0.033 -0.189 0.284 93 V C -1.771 174.403 176.094 0.132 0.000 1.014 93 V CA -2.008 60.366 62.300 0.125 0.000 0.826 93 V CB 1.949 33.907 31.823 0.226 0.000 1.009 93 V HN 0.484 8.766 8.190 0.154 0.000 0.431 94 K N 8.631 129.100 120.400 0.114 0.000 2.219 94 K HA 0.414 5.031 4.320 0.142 -0.211 0.280 94 K C -0.039 176.781 176.600 0.368 0.000 1.104 94 K CA -0.677 55.718 56.287 0.180 0.000 0.925 94 K CB 0.078 32.661 32.500 0.139 0.000 1.261 94 K HN 0.765 9.035 8.250 0.033 0.000 0.445 95 V N 2.212 122.306 119.914 0.301 0.000 3.644 95 V HA 0.244 4.579 4.120 0.357 0.000 0.267 95 V C -1.249 175.047 176.094 0.337 0.000 1.277 95 V CA -0.043 62.431 62.300 0.291 0.000 1.096 95 V CB 0.670 32.539 31.823 0.076 0.000 0.828 95 V HN 0.250 8.560 8.190 0.200 0.000 0.446 96 L N 0.365 121.689 121.223 0.170 0.000 2.334 96 L HA 0.399 4.881 4.340 0.017 -0.132 0.276 96 L C -0.718 175.913 176.870 -0.398 0.000 1.014 96 L CA -1.701 53.117 54.840 -0.037 0.000 0.815 96 L CB 2.127 44.151 42.059 -0.059 0.000 1.268 96 L HN -0.434 7.880 8.230 0.140 0.000 0.428 97 D N 2.477 122.522 120.400 -0.592 0.000 2.380 97 D HA -0.079 3.783 4.640 -1.296 0.000 0.254 97 D C 0.892 176.969 176.300 -0.371 0.000 1.288 97 D CA -1.101 52.426 54.000 -0.789 0.000 1.008 97 D CB 0.491 40.955 40.800 -0.559 0.000 1.099 97 D HN 0.849 8.917 8.370 -0.318 0.111 0.537 98 D N -3.718 116.520 120.400 -0.269 0.000 2.378 98 D HA -0.154 4.394 4.640 -0.154 0.000 0.227 98 D C -0.087 176.151 176.300 -0.102 0.000 1.012 98 D CA 2.068 55.979 54.000 -0.150 0.000 0.905 98 D CB -0.538 40.204 40.800 -0.096 0.000 0.895 98 D HN 0.238 8.442 8.370 -0.277 0.000 0.532 99 N N -3.027 115.609 118.700 -0.107 0.000 2.280 99 N HA -0.031 4.679 4.740 -0.050 0.000 0.192 99 N C 0.536 175.989 175.510 -0.096 0.000 1.109 99 N CA -0.133 52.873 53.050 -0.073 0.000 0.855 99 N CB 0.789 39.243 38.487 -0.056 0.000 0.974 99 N HN -0.111 8.411 8.380 -0.143 -0.228 0.482 100 G N -0.606 108.111 108.800 -0.138 0.000 2.157 100 G HA2 -0.390 3.449 3.960 -0.201 0.000 0.248 100 G HA3 -0.390 3.451 3.960 -0.198 0.000 0.248 100 G C -0.785 174.019 174.900 -0.161 0.000 0.979 100 G CA 0.274 45.266 45.100 -0.181 0.000 0.650 100 G HN 0.086 8.146 8.290 -0.157 0.136 0.529 101 S N 1.336 116.961 115.700 -0.125 0.000 2.651 101 S HA 0.247 4.663 4.470 -0.090 0.000 0.291 101 S C -1.494 173.076 174.600 -0.051 0.000 1.141 101 S CA -0.380 57.768 58.200 -0.087 0.000 1.027 101 S CB 2.029 65.189 63.200 -0.067 0.000 1.043 101 S HN -0.158 8.339 8.310 -0.134 -0.267 0.530 102 G N -0.795 107.992 108.800 -0.022 0.000 2.732 102 G HA2 0.221 4.253 3.960 0.120 0.000 0.296 102 G HA3 0.221 4.227 3.960 0.078 0.000 0.296 102 G C -1.720 173.177 174.900 -0.004 0.000 1.448 102 G CA 0.032 45.161 45.100 0.048 0.000 0.911 102 G HN 0.020 8.279 8.290 -0.052 0.000 0.528 103 Q N 2.349 122.156 119.800 0.011 0.000 2.373 103 Q HA 0.143 4.425 4.340 -0.097 0.000 0.255 103 Q C 1.096 177.126 176.000 0.050 0.000 0.980 103 Q CA -0.835 54.951 55.803 -0.028 0.000 0.882 103 Q CB 0.997 29.724 28.738 -0.019 0.000 1.249 103 Q HN 0.557 8.862 8.270 0.060 0.000 0.438 104 Y N 3.234 123.504 120.300 -0.050 0.000 2.224 104 Y HA -0.406 4.107 4.550 -0.063 0.000 0.289 104 Y C 2.167 178.011 175.900 -0.094 0.000 1.146 104 Y CA 2.476 60.536 58.100 -0.067 0.000 1.182 104 Y CB -0.892 37.531 38.460 -0.061 0.000 0.983 104 Y HN 0.544 8.824 8.280 -0.001 0.000 0.524 105 S N -2.139 113.600 115.700 0.065 0.000 2.370 105 S HA -0.338 4.117 4.470 -0.026 0.000 0.226 105 S C 2.233 176.757 174.600 -0.126 0.000 1.033 105 S CA 3.259 61.440 58.200 -0.033 0.000 1.011 105 S CB -0.786 62.392 63.200 -0.036 0.000 0.852 105 S HN 0.132 8.481 8.310 0.083 0.011 0.457 106 T N 5.753 120.210 114.554 -0.161 0.000 2.812 106 T HA -0.283 3.787 4.350 -0.468 0.000 0.264 106 T C 1.816 176.283 174.700 -0.388 0.000 1.042 106 T CA 4.693 66.572 62.100 -0.369 0.000 1.140 106 T CB -0.099 68.596 68.868 -0.289 0.000 0.870 106 T HN -0.659 7.434 8.240 -0.087 0.094 0.445 107 I N 1.793 122.275 120.570 -0.147 0.000 2.226 107 I HA -0.565 3.551 4.170 -0.090 0.000 0.245 107 I C 1.508 177.555 176.117 -0.116 0.000 1.100 107 I CA 4.416 65.665 61.300 -0.083 0.000 1.374 107 I CB -0.258 37.773 38.000 0.051 0.000 1.057 107 I HN -0.304 7.802 8.210 -0.052 0.072 0.413 108 I N -0.401 120.099 120.570 -0.117 0.000 2.163 108 I HA -0.617 3.491 4.170 -0.104 0.000 0.243 108 I C 1.543 177.593 176.117 -0.113 0.000 1.085 108 I CA 4.514 65.746 61.300 -0.113 0.000 1.347 108 I CB -0.398 37.537 38.000 -0.108 0.000 1.044 108 I HN 0.214 8.368 8.210 -0.094 0.000 0.408 109 A N -0.726 121.984 122.820 -0.183 0.000 1.908 109 A HA -0.282 3.996 4.320 -0.069 0.000 0.218 109 A C 2.123 179.675 177.584 -0.053 0.000 1.181 109 A CA 3.058 55.005 52.037 -0.150 0.000 0.627 109 A CB -0.838 17.991 19.000 -0.284 0.000 0.818 109 A HN -0.039 7.974 8.150 -0.229 0.000 0.445 110 G N -2.324 106.360 108.800 -0.194 0.000 2.422 110 G HA2 -0.366 3.787 3.960 0.322 0.000 0.218 110 G HA3 -0.366 3.612 3.960 0.030 0.000 0.218 110 G C 1.360 176.346 174.900 0.142 0.000 1.146 110 G CA 1.809 46.966 45.100 0.094 0.000 0.769 110 G HN -0.010 7.958 8.290 -0.384 0.091 0.547 111 M N 1.982 121.601 119.600 0.032 0.000 2.086 111 M HA -0.483 4.006 4.480 0.015 0.000 0.261 111 M C 1.871 178.170 176.300 -0.001 0.000 1.067 111 M CA 4.381 59.684 55.300 0.006 0.000 1.116 111 M CB -0.190 32.392 32.600 -0.030 0.000 1.348 111 M HN -0.359 7.840 8.290 -0.022 0.078 0.407 112 D N -0.507 119.900 120.400 0.012 0.000 2.144 112 D HA -0.282 4.339 4.640 -0.033 0.000 0.199 112 D C 2.535 178.844 176.300 0.015 0.000 0.984 112 D CA 3.343 57.343 54.000 0.001 0.000 0.834 112 D CB -0.468 40.340 40.800 0.013 0.000 0.955 112 D HN -0.069 8.304 8.370 0.005 0.000 0.465 113 F N 1.588 121.525 119.950 -0.021 0.000 2.095 113 F HA -0.388 4.131 4.527 -0.014 0.000 0.298 113 F C 1.260 176.990 175.800 -0.117 0.000 1.104 113 F CA 3.380 61.368 58.000 -0.019 0.000 1.232 113 F CB 0.309 39.355 39.000 0.078 0.000 0.987 113 F HN 0.070 8.445 8.300 0.266 0.084 0.475 114 V N -0.665 119.150 119.914 -0.166 0.000 2.343 114 V HA -0.583 3.084 4.120 -0.755 0.000 0.247 114 V C 2.040 177.833 176.094 -0.502 0.000 1.051 114 V CA 3.889 65.861 62.300 -0.547 0.000 1.036 114 V CB -1.134 30.368 31.823 -0.534 0.000 0.654 114 V HN -0.282 7.889 8.190 0.093 0.075 0.451 115 A N -0.668 121.978 122.820 -0.290 0.000 1.940 115 A HA -0.314 3.887 4.320 -0.198 0.000 0.219 115 A C 1.717 179.168 177.584 -0.221 0.000 1.176 115 A CA 2.958 54.869 52.037 -0.210 0.000 0.631 115 A CB -0.715 18.207 19.000 -0.130 0.000 0.814 115 A HN -0.214 7.812 8.150 -0.207 0.000 0.446 116 S N -2.000 113.535 115.700 -0.276 0.000 2.371 116 S HA -0.239 4.120 4.470 -0.185 0.000 0.221 116 S C 2.384 176.784 174.600 -0.334 0.000 1.036 116 S CA 2.431 60.472 58.200 -0.265 0.000 0.965 116 S CB 0.098 63.151 63.200 -0.245 0.000 0.845 116 S HN -0.538 7.484 8.310 -0.305 0.105 0.475 117 D N 2.017 122.071 120.400 -0.577 0.000 2.182 117 D HA -0.240 4.132 4.640 -0.446 0.000 0.201 117 D C 2.188 178.337 176.300 -0.252 0.000 0.986 117 D CA 3.167 56.838 54.000 -0.548 0.000 0.847 117 D CB 0.087 40.304 40.800 -0.972 0.000 0.942 117 D HN 0.345 8.135 8.370 -0.783 0.110 0.467 118 K N -2.019 118.263 120.400 -0.196 0.000 2.280 118 K HA -0.259 4.147 4.320 0.143 0.000 0.202 118 K C 2.226 178.812 176.600 -0.023 0.000 1.047 118 K CA 2.575 58.862 56.287 -0.001 0.000 0.942 118 K CB -0.581 31.924 32.500 0.009 0.000 0.739 118 K HN -0.268 7.764 8.250 -0.322 0.025 0.457 119 N N -0.884 117.769 118.700 -0.078 0.000 2.520 119 N HA -0.108 4.610 4.740 -0.036 0.000 0.185 119 N C 0.963 176.442 175.510 -0.051 0.000 1.068 119 N CA 1.942 54.958 53.050 -0.057 0.000 0.911 119 N CB 0.179 38.623 38.487 -0.072 0.000 0.961 119 N HN -0.122 8.020 8.380 -0.130 0.160 0.446 120 N N -2.735 115.924 118.700 -0.068 0.000 2.236 120 N HA 0.059 4.771 4.740 -0.046 0.000 0.196 120 N C -1.207 174.276 175.510 -0.045 0.000 1.114 120 N CA 0.217 53.230 53.050 -0.061 0.000 0.859 120 N CB 0.945 39.380 38.487 -0.088 0.000 0.982 120 N HN -0.240 7.934 8.380 -0.099 0.147 0.493 121 R N -0.735 119.753 120.500 -0.020 0.000 2.711 121 R HA 0.219 4.569 4.340 0.015 0.000 0.284 121 R C -1.219 175.123 176.300 0.069 0.000 0.968 121 R CA -1.956 54.160 56.100 0.026 0.000 0.924 121 R CB 1.329 31.652 30.300 0.037 0.000 1.162 121 R HN -0.641 7.441 8.270 -0.012 0.181 0.465 122 N N 1.218 119.970 118.700 0.088 0.000 2.437 122 N HA 0.031 4.801 4.740 0.050 0.000 0.243 122 N C -0.526 175.033 175.510 0.082 0.000 1.041 122 N CA 0.064 53.154 53.050 0.067 0.000 0.940 122 N CB 0.137 38.654 38.487 0.050 0.000 1.133 122 N HN 0.197 8.640 8.380 0.105 0.000 0.506 123 c N 5.282 123.927 118.600 0.075 0.000 3.495 123 c HA 0.494 5.096 4.570 0.054 0.000 0.201 123 c C -1.138 172.975 174.090 0.038 0.000 1.408 123 c CA -2.973 53.397 56.329 0.068 0.000 1.367 123 c CB 0.218 42.799 42.510 0.117 0.000 1.845 123 c HN 0.351 8.619 8.230 0.064 0.000 0.500 124 P HA -0.160 4.266 4.420 0.010 0.000 0.219 124 P C -0.253 177.047 177.300 0.001 0.000 1.146 124 P CA 1.584 64.689 63.100 0.008 0.000 0.808 124 P CB -0.060 31.642 31.700 0.002 0.000 0.779 125 K N -4.400 115.998 120.400 -0.003 0.000 2.404 125 K HA 0.195 4.503 4.320 -0.019 0.000 0.194 125 K C -0.094 176.504 176.600 -0.004 0.000 1.023 125 K CA -1.171 55.108 56.287 -0.014 0.000 1.094 125 K CB 0.431 32.914 32.500 -0.028 0.000 0.841 125 K HN -0.100 8.024 8.250 -0.001 0.126 0.523 126 G N -2.621 106.189 108.800 0.016 0.000 2.479 126 G HA2 -0.223 3.757 3.960 0.034 0.000 0.686 126 G HA3 -0.223 3.749 3.960 0.020 0.000 0.686 126 G C -2.717 172.219 174.900 0.060 0.000 1.295 126 G CA -0.632 44.487 45.100 0.032 0.000 0.922 126 G HN -0.313 7.811 8.290 0.022 0.179 0.582 127 V N -0.134 119.829 119.914 0.082 0.000 2.656 127 V HA 0.896 5.327 4.120 0.169 -0.209 0.307 127 V C -1.059 175.110 176.094 0.125 0.000 1.051 127 V CA -2.001 60.385 62.300 0.143 0.000 0.893 127 V CB 2.803 34.739 31.823 0.190 0.000 0.999 127 V HN 0.286 8.513 8.190 0.063 0.000 0.426 128 V N 5.451 125.458 119.914 0.156 0.000 2.823 128 V HA 0.717 5.100 4.120 0.104 -0.200 0.312 128 V C -2.100 174.108 176.094 0.189 0.000 1.072 128 V CA -2.565 59.813 62.300 0.129 0.000 0.937 128 V CB 3.981 35.858 31.823 0.091 0.000 1.013 128 V HN 0.972 9.276 8.190 0.190 0.000 0.430 129 A N 4.223 127.125 122.820 0.137 0.000 2.356 129 A HA 0.885 5.553 4.320 0.218 -0.217 0.310 129 A C -2.248 175.400 177.584 0.106 0.000 1.075 129 A CA -2.013 50.113 52.037 0.150 0.000 0.746 129 A CB 3.620 22.676 19.000 0.094 0.000 1.221 129 A HN 1.105 9.205 8.150 0.097 0.108 0.443 130 S N 2.509 118.276 115.700 0.111 0.000 2.456 130 S HA 0.751 5.415 4.470 0.074 -0.150 0.316 130 S C -1.576 173.077 174.600 0.089 0.000 1.089 130 S CA -2.120 56.130 58.200 0.084 0.000 1.101 130 S CB 1.282 64.522 63.200 0.065 0.000 0.995 130 S HN 0.816 9.213 8.310 0.145 0.000 0.468 131 L N 8.411 129.681 121.223 0.079 0.000 2.408 131 L HA 0.446 4.843 4.340 0.095 0.000 0.257 131 L C -1.328 175.597 176.870 0.093 0.000 1.053 131 L CA -0.804 54.086 54.840 0.083 0.000 0.922 131 L CB 0.766 42.862 42.059 0.062 0.000 1.261 131 L HN 0.771 9.043 8.230 0.069 0.000 0.458 132 S N 5.223 120.998 115.700 0.124 0.000 4.120 132 S HA 0.029 4.577 4.470 0.130 0.000 0.196 132 S C -1.572 173.144 174.600 0.192 0.000 1.447 132 S CA 0.484 58.782 58.200 0.164 0.000 0.939 132 S CB -1.294 62.016 63.200 0.183 0.000 1.496 132 S HN 0.440 8.827 8.310 0.128 0.000 0.460 133 L N -3.823 117.470 121.223 0.118 0.000 2.892 133 L HA 0.337 4.715 4.340 0.064 0.000 0.269 133 L C -2.020 174.907 176.870 0.095 0.000 1.058 133 L CA -0.587 54.305 54.840 0.087 0.000 0.923 133 L CB 2.115 44.222 42.059 0.081 0.000 1.518 133 L HN -0.637 7.595 8.230 0.101 0.058 0.402 134 G N -2.811 106.059 108.800 0.117 0.000 2.352 134 G HA2 -0.058 4.125 3.960 0.258 0.000 0.302 134 G HA3 -0.058 4.030 3.960 0.162 -0.031 0.302 134 G C -1.889 173.138 174.900 0.211 0.000 1.370 134 G CA -0.019 45.196 45.100 0.191 0.000 0.918 134 G HN -0.301 8.047 8.290 0.096 0.000 0.610 135 G N -1.953 107.048 108.800 0.336 0.000 2.896 135 G HA2 0.133 4.243 3.960 0.249 0.000 0.247 135 G HA3 0.133 4.189 3.960 0.159 0.000 0.247 135 G C -1.962 173.177 174.900 0.400 0.000 1.187 135 G CA 0.063 45.340 45.100 0.295 0.000 0.837 135 G HN 0.118 8.657 8.290 0.415 0.000 0.559 136 G N -1.687 107.268 108.800 0.257 0.000 2.636 136 G HA2 -0.052 3.988 3.960 -0.063 0.000 0.246 136 G HA3 -0.052 3.954 3.960 0.077 0.000 0.246 136 G C -1.387 173.614 174.900 0.168 0.000 1.216 136 G CA -0.759 44.409 45.100 0.113 0.000 0.854 136 G HN -0.113 8.270 8.290 0.155 0.000 0.572 137 Y N 1.382 121.649 120.300 -0.055 0.000 2.712 137 Y HA -0.367 4.164 4.550 -0.031 0.000 0.333 137 Y C -0.129 175.776 175.900 0.009 0.000 1.225 137 Y CA 1.507 59.584 58.100 -0.038 0.000 1.499 137 Y CB 0.686 39.096 38.460 -0.083 0.000 1.288 137 Y HN -0.513 7.791 8.280 0.040 0.000 0.575 138 S N 5.872 121.085 115.700 -0.812 0.000 2.668 138 S HA 0.400 4.660 4.470 -0.349 0.000 0.277 138 S C -0.114 173.988 174.600 -0.830 0.000 1.170 138 S CA -1.916 55.916 58.200 -0.613 0.000 0.994 138 S CB 1.122 64.042 63.200 -0.466 0.000 1.051 138 S HN 0.416 8.129 8.310 -0.994 0.000 0.484 139 S N 8.375 123.742 115.700 -0.555 0.000 2.399 139 S HA -0.213 4.026 4.470 -0.385 0.000 0.231 139 S C 1.976 176.436 174.600 -0.234 0.000 1.022 139 S CA 2.505 60.520 58.200 -0.308 0.000 0.983 139 S CB 0.026 63.209 63.200 -0.029 0.000 0.803 139 S HN 0.586 8.709 8.310 -0.311 0.000 0.480 140 S N 3.250 118.820 115.700 -0.216 0.000 2.368 140 S HA -0.242 4.151 4.470 -0.127 0.000 0.224 140 S C 1.888 176.345 174.600 -0.237 0.000 1.029 140 S CA 2.969 61.062 58.200 -0.178 0.000 0.988 140 S CB -0.166 62.955 63.200 -0.133 0.000 0.838 140 S HN -0.575 7.586 8.310 -0.214 0.020 0.462 141 V N 2.160 121.847 119.914 -0.378 0.000 2.358 141 V HA -0.425 3.493 4.120 -0.337 0.000 0.246 141 V C 1.679 177.599 176.094 -0.291 0.000 1.047 141 V CA 3.623 65.672 62.300 -0.419 0.000 1.035 141 V CB -0.553 30.816 31.823 -0.756 0.000 0.658 141 V HN -0.182 7.740 8.190 -0.447 0.000 0.452 142 N N 0.029 118.548 118.700 -0.302 0.000 2.120 142 N HA -0.359 4.272 4.740 -0.182 0.000 0.188 142 N C 2.078 177.511 175.510 -0.127 0.000 1.024 142 N CA 3.219 56.152 53.050 -0.195 0.000 0.852 142 N CB -0.733 37.639 38.487 -0.191 0.000 1.003 142 N HN 0.051 8.191 8.380 -0.400 0.000 0.424 143 S N 0.826 116.450 115.700 -0.128 0.000 2.368 143 S HA -0.367 4.064 4.470 -0.065 0.000 0.225 143 S C 1.595 176.146 174.600 -0.080 0.000 1.030 143 S CA 3.263 61.413 58.200 -0.084 0.000 0.999 143 S CB -0.366 62.788 63.200 -0.076 0.000 0.844 143 S HN 0.133 8.157 8.310 -0.165 0.188 0.459 144 A N 1.577 124.337 122.820 -0.101 0.000 1.902 144 A HA -0.296 3.980 4.320 -0.074 0.000 0.217 144 A C 1.652 179.193 177.584 -0.072 0.000 1.181 144 A CA 2.988 54.973 52.037 -0.086 0.000 0.623 144 A CB -0.683 18.256 19.000 -0.103 0.000 0.818 144 A HN -0.157 7.834 8.150 -0.132 0.079 0.443 145 A N -1.474 121.298 122.820 -0.079 0.000 1.902 145 A HA -0.223 4.069 4.320 -0.047 0.000 0.217 145 A C 1.778 179.338 177.584 -0.040 0.000 1.181 145 A CA 2.712 54.717 52.037 -0.054 0.000 0.623 145 A CB -0.482 18.485 19.000 -0.055 0.000 0.818 145 A HN -0.131 7.882 8.150 -0.103 0.075 0.443 146 A N -1.038 121.756 122.820 -0.042 0.000 1.902 146 A HA -0.184 4.123 4.320 -0.021 0.000 0.217 146 A C 2.191 179.757 177.584 -0.029 0.000 1.181 146 A CA 2.690 54.710 52.037 -0.029 0.000 0.623 146 A CB -0.552 18.431 19.000 -0.027 0.000 0.818 146 A HN 0.288 8.336 8.150 -0.055 0.069 0.443 147 R N -2.069 118.408 120.500 -0.038 0.000 2.073 147 R HA -0.363 3.957 4.340 -0.033 0.000 0.234 147 R C 2.361 178.637 176.300 -0.041 0.000 1.134 147 R CA 3.441 59.518 56.100 -0.038 0.000 0.952 147 R CB -0.118 30.156 30.300 -0.043 0.000 0.850 147 R HN 0.053 8.116 8.270 -0.045 0.179 0.433 148 L N -0.361 120.835 121.223 -0.045 0.000 2.046 148 L HA -0.285 4.017 4.340 -0.063 0.000 0.208 148 L C 1.710 178.558 176.870 -0.037 0.000 1.077 148 L CA 2.936 57.746 54.840 -0.050 0.000 0.747 148 L CB -0.368 41.661 42.059 -0.050 0.000 0.896 148 L HN 0.024 8.227 8.230 -0.046 0.000 0.432 149 Q N -0.648 119.138 119.800 -0.023 0.000 2.050 149 Q HA -0.304 4.225 4.340 -0.006 -0.192 0.202 149 Q C 2.950 178.943 176.000 -0.011 0.000 0.980 149 Q CA 2.461 58.257 55.803 -0.010 0.000 0.840 149 Q CB -0.431 28.305 28.738 -0.003 0.000 0.898 149 Q HN -0.107 8.149 8.270 -0.024 0.000 0.424 150 S N -0.957 114.733 115.700 -0.016 0.000 2.419 150 S HA -0.238 4.227 4.470 -0.009 0.000 0.233 150 S C 1.707 176.295 174.600 -0.019 0.000 1.016 150 S CA 2.349 60.540 58.200 -0.015 0.000 0.974 150 S CB -0.142 63.048 63.200 -0.017 0.000 0.786 150 S HN 0.035 8.267 8.310 -0.019 0.067 0.492 151 S N -1.789 113.894 115.700 -0.029 0.000 2.555 151 S HA -0.106 4.343 4.470 -0.035 0.000 0.230 151 S C 0.803 175.386 174.600 -0.028 0.000 0.978 151 S CA 0.829 59.008 58.200 -0.036 0.000 0.934 151 S CB 0.886 64.053 63.200 -0.056 0.000 0.766 151 S HN -0.388 7.779 8.310 -0.032 0.124 0.533 152 G N 0.924 109.713 108.800 -0.017 0.000 2.151 152 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.156 152 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.156 152 G C -1.377 173.525 174.900 0.003 0.000 1.017 152 G CA -0.373 44.724 45.100 -0.006 0.000 0.686 152 G HN -0.236 7.866 8.290 -0.017 0.178 0.503 153 V N 0.138 120.052 119.914 0.000 0.000 2.459 153 V HA 0.190 4.494 4.120 0.034 -0.164 0.295 153 V C -1.149 174.960 176.094 0.025 0.000 1.029 153 V CA -1.917 60.392 62.300 0.016 0.000 0.874 153 V CB 1.960 33.777 31.823 -0.009 0.000 0.985 153 V HN -0.767 7.417 8.190 -0.010 0.000 0.438 154 M N 8.198 127.824 119.600 0.043 0.000 2.266 154 M HA 0.035 4.538 4.480 0.038 0.000 0.340 154 M C -2.029 174.300 176.300 0.049 0.000 1.486 154 M CA -1.383 53.944 55.300 0.045 0.000 1.209 154 M CB -0.919 31.713 32.600 0.053 0.000 1.714 154 M HN 0.473 8.794 8.290 0.053 0.000 0.459 155 V N 9.445 129.381 119.914 0.037 0.000 2.383 155 V HA 0.414 4.726 4.120 0.043 -0.166 0.275 155 V C -1.755 174.362 176.094 0.039 0.000 1.036 155 V CA -1.244 61.077 62.300 0.036 0.000 0.889 155 V CB 0.165 31.998 31.823 0.018 0.000 0.985 155 V HN 0.627 9.179 8.190 0.030 -0.345 0.459 156 A N 8.809 131.657 122.820 0.047 0.000 2.303 156 A HA 0.950 5.497 4.320 0.039 -0.203 0.320 156 A C -2.014 175.597 177.584 0.044 0.000 1.192 156 A CA -2.053 50.011 52.037 0.046 0.000 0.821 156 A CB 3.033 22.066 19.000 0.054 0.000 1.188 156 A HN 1.048 9.231 8.150 0.055 0.000 0.492 157 V N -0.875 119.060 119.914 0.035 0.000 2.962 157 V HA 0.994 5.331 4.120 0.048 -0.188 0.313 157 V C -1.932 174.182 176.094 0.033 0.000 1.099 157 V CA -3.694 58.629 62.300 0.037 0.000 0.971 157 V CB 4.063 35.903 31.823 0.028 0.000 1.028 157 V HN 0.827 9.034 8.190 0.027 0.000 0.430 158 A N 2.332 125.180 122.820 0.047 0.000 2.425 158 A HA 0.316 4.660 4.320 0.040 0.000 0.249 158 A C -0.724 176.872 177.584 0.019 0.000 1.084 158 A CA -0.514 51.548 52.037 0.043 0.000 0.781 158 A CB 0.881 19.921 19.000 0.067 0.000 1.019 158 A HN -0.064 8.121 8.150 0.059 0.000 0.490 159 A N 1.355 124.170 122.820 -0.008 0.000 2.014 159 A HA -0.200 4.109 4.320 -0.018 0.000 0.218 159 A C -0.845 176.706 177.584 -0.056 0.000 1.163 159 A CA 0.967 52.984 52.037 -0.034 0.000 0.652 159 A CB 0.747 19.696 19.000 -0.084 0.000 0.808 159 A HN 0.202 8.347 8.150 -0.009 0.000 0.449 160 G N -5.023 103.748 108.800 -0.048 0.000 2.587 160 G HA2 -0.245 3.660 3.960 -0.092 0.000 0.686 160 G HA3 -0.245 3.661 3.960 -0.293 -0.122 0.686 160 G C -2.880 171.976 174.900 -0.074 0.000 1.236 160 G CA -0.725 44.295 45.100 -0.134 0.000 0.820 160 G HN -0.717 7.552 8.290 0.007 0.026 0.645 161 N N 0.131 118.785 118.700 -0.077 0.000 2.538 161 N HA 0.268 5.325 4.740 0.286 -0.146 0.291 161 N C -0.863 174.666 175.510 0.032 0.000 1.323 161 N CA -0.648 52.449 53.050 0.079 0.000 0.934 161 N CB 0.227 38.702 38.487 -0.021 0.000 1.255 161 N HN 0.279 8.570 8.380 -0.147 0.000 0.509 162 N N -1.505 117.137 118.700 -0.098 0.000 2.205 162 N HA -0.025 4.710 4.740 -0.009 0.000 0.201 162 N C -0.129 175.402 175.510 0.036 0.000 1.128 162 N CA -0.170 52.838 53.050 -0.070 0.000 0.867 162 N CB 0.400 38.729 38.487 -0.264 0.000 0.996 162 N HN -0.311 7.888 8.380 -0.200 0.061 0.503 163 N N 0.096 118.847 118.700 0.084 0.000 2.714 163 N HA -0.444 4.615 4.740 0.240 -0.175 0.252 163 N C -2.059 173.573 175.510 0.203 0.000 1.014 163 N CA 1.291 54.453 53.050 0.187 0.000 0.735 163 N CB -1.102 37.500 38.487 0.191 0.000 0.924 163 N HN -0.169 8.129 8.380 0.098 0.141 0.540 164 A N -5.039 117.719 122.820 -0.103 0.000 2.567 164 A HA 0.139 4.344 4.320 -0.190 0.000 0.289 164 A C -2.453 174.648 177.584 -0.805 0.000 1.177 164 A CA -1.394 50.497 52.037 -0.243 0.000 0.694 164 A CB 3.225 22.272 19.000 0.078 0.000 1.292 164 A HN -0.490 7.556 8.150 -0.180 -0.004 0.425 165 D N 0.094 120.202 120.400 -0.486 0.000 2.371 165 D HA 0.010 4.428 4.640 -0.669 -0.180 0.256 165 D C 1.274 177.551 176.300 -0.038 0.000 1.193 165 D CA 0.129 53.912 54.000 -0.361 0.000 0.881 165 D CB 0.620 41.385 40.800 -0.058 0.000 1.143 165 D HN 0.398 8.667 8.370 -0.169 0.000 0.473 166 A N 7.683 130.477 122.820 -0.042 0.000 2.178 166 A HA -0.200 4.286 4.320 0.277 0.000 0.218 166 A C 1.461 179.149 177.584 0.174 0.000 1.157 166 A CA 2.131 54.248 52.037 0.132 0.000 0.689 166 A CB -0.135 18.884 19.000 0.032 0.000 0.787 166 A HN 0.982 9.041 8.150 -0.152 0.000 0.465 167 R N -3.464 117.092 120.500 0.092 0.000 2.200 167 R HA -0.331 4.061 4.340 0.086 0.000 0.234 167 R C 0.883 177.212 176.300 0.048 0.000 1.127 167 R CA 2.837 58.977 56.100 0.065 0.000 0.989 167 R CB -0.535 29.774 30.300 0.015 0.000 0.869 167 R HN 0.144 8.735 8.270 0.053 -0.289 0.459 168 N N -2.267 116.426 118.700 -0.012 0.000 2.276 168 N HA 0.038 4.705 4.740 -0.122 0.000 0.212 168 N C -1.679 173.516 175.510 -0.525 0.000 1.127 168 N CA 0.328 53.225 53.050 -0.255 0.000 0.834 168 N CB 1.029 39.281 38.487 -0.393 0.000 1.014 168 N HN -0.689 7.688 8.380 0.077 0.049 0.491 169 Y N -1.642 118.739 120.300 0.134 0.000 2.545 169 Y HA 0.498 5.292 4.550 0.130 -0.167 0.348 169 Y C -1.506 174.442 175.900 0.080 0.000 1.002 169 Y CA -1.381 56.784 58.100 0.108 0.000 1.039 169 Y CB 4.332 42.828 38.460 0.061 0.000 1.271 169 Y HN -0.307 7.919 8.280 0.202 0.175 0.467 170 S N -0.494 115.313 115.700 0.179 0.000 2.538 170 S HA 0.659 5.172 4.470 -0.001 -0.043 0.288 170 S C -2.010 172.599 174.600 0.015 0.000 1.108 170 S CA -3.218 54.982 58.200 -0.000 0.000 0.971 170 S CB 2.428 65.475 63.200 -0.255 0.000 1.041 170 S HN 0.756 9.117 8.310 0.268 0.109 0.483 171 P HA 0.381 4.927 4.420 -0.113 -0.193 0.257 171 P C 0.473 177.774 177.300 0.001 0.000 1.281 171 P CA 0.430 63.495 63.100 -0.059 0.000 0.826 171 P CB 0.565 32.228 31.700 -0.061 0.000 1.237 172 A N 2.061 124.912 122.820 0.051 0.000 1.927 172 A HA -0.305 4.039 4.320 0.040 0.000 0.220 172 A C 1.380 179.002 177.584 0.063 0.000 1.185 172 A CA 2.995 55.068 52.037 0.060 0.000 0.639 172 A CB -0.969 18.087 19.000 0.094 0.000 0.820 172 A HN 0.436 8.551 8.150 0.077 0.081 0.451 173 S N -4.743 111.012 115.700 0.092 0.000 2.607 173 S HA -0.178 4.352 4.470 0.100 0.000 0.224 173 S C 0.391 175.041 174.600 0.085 0.000 0.969 173 S CA 0.129 58.397 58.200 0.113 0.000 0.927 173 S CB 0.121 63.449 63.200 0.213 0.000 0.772 173 S HN -0.413 7.931 8.310 0.096 0.023 0.533 174 E N 4.118 124.340 120.200 0.036 0.000 2.265 174 E HA 0.184 4.553 4.350 0.031 0.000 0.272 174 E C -0.833 175.783 176.600 0.025 0.000 1.067 174 E CA -2.386 54.026 56.400 0.019 0.000 0.900 174 E CB 0.526 30.216 29.700 -0.018 0.000 1.017 174 E HN -0.496 7.709 8.360 0.018 0.166 0.431 175 P HA -0.050 4.388 4.420 0.031 0.000 0.219 175 P C -0.268 177.045 177.300 0.021 0.000 1.150 175 P CA 1.542 64.659 63.100 0.028 0.000 0.814 175 P CB 0.348 32.066 31.700 0.030 0.000 0.787 176 S N -4.427 111.282 115.700 0.016 0.000 2.561 176 S HA -0.113 4.367 4.470 0.018 0.000 0.225 176 S C 0.846 175.455 174.600 0.015 0.000 0.977 176 S CA 0.872 59.080 58.200 0.014 0.000 0.926 176 S CB 0.415 63.620 63.200 0.009 0.000 0.769 176 S HN -0.229 8.380 8.310 0.013 -0.291 0.533 177 V N -4.114 115.808 119.914 0.013 0.000 3.463 177 V HA 0.276 4.406 4.120 0.017 0.000 0.302 177 V C -0.742 175.364 176.094 0.021 0.000 1.097 177 V CA -3.298 59.011 62.300 0.016 0.000 1.003 177 V CB 2.048 33.877 31.823 0.009 0.000 1.229 177 V HN -0.795 7.353 8.190 0.012 0.049 0.444 178 c N 1.309 119.924 118.600 0.025 0.000 2.203 178 c HA 0.054 4.798 4.570 0.025 -0.160 0.325 178 c C -0.765 173.332 174.090 0.013 0.000 1.156 178 c CA -1.592 54.753 56.329 0.026 0.000 1.597 178 c CB -0.196 42.338 42.510 0.040 0.000 2.148 178 c HN 0.504 8.750 8.230 0.026 0.000 0.472 179 T N 11.511 126.063 114.554 -0.003 0.000 2.743 179 T HA 0.450 4.960 4.350 -0.010 -0.166 0.293 179 T C -1.009 173.648 174.700 -0.072 0.000 0.945 179 T CA 0.655 62.741 62.100 -0.023 0.000 1.030 179 T CB 0.769 69.627 68.868 -0.018 0.000 0.912 179 T HN 0.995 9.657 8.240 0.000 -0.422 0.483 180 V N 8.270 128.138 119.914 -0.076 0.000 2.378 180 V HA 0.632 4.860 4.120 -0.166 -0.207 0.288 180 V C -0.310 175.668 176.094 -0.192 0.000 1.016 180 V CA -1.919 60.309 62.300 -0.121 0.000 0.840 180 V CB 1.056 32.865 31.823 -0.023 0.000 0.994 180 V HN 0.729 8.895 8.190 -0.040 0.000 0.431 181 G N 6.225 114.731 108.800 -0.491 0.000 2.547 181 G HA2 0.490 4.292 3.960 -0.263 0.000 0.291 181 G HA3 0.490 3.703 3.960 -1.246 0.000 0.291 181 G C -2.759 172.084 174.900 -0.094 0.000 1.211 181 G CA -1.822 42.948 45.100 -0.551 0.000 0.950 181 G HN 0.873 8.751 8.290 -0.687 0.000 0.504 182 A N -1.473 121.482 122.820 0.226 0.000 2.337 182 A HA 1.157 5.830 4.320 0.273 -0.190 0.329 182 A C -0.997 176.801 177.584 0.355 0.000 1.146 182 A CA -2.207 50.016 52.037 0.311 0.000 0.800 182 A CB 2.966 22.154 19.000 0.313 0.000 1.220 182 A HN 0.185 8.467 8.150 0.222 0.000 0.472 183 S N 1.062 116.937 115.700 0.290 0.000 2.677 183 S HA 0.974 5.695 4.470 0.084 -0.201 0.304 183 S C -0.899 173.857 174.600 0.261 0.000 1.108 183 S CA -2.299 56.012 58.200 0.185 0.000 0.944 183 S CB 3.292 66.583 63.200 0.152 0.000 1.127 183 S HN 0.560 9.041 8.310 0.285 0.000 0.511 184 D N -0.148 120.317 120.400 0.109 0.000 2.494 184 D HA 0.469 5.201 4.640 0.153 0.000 0.259 184 D C 1.312 177.310 176.300 -0.504 0.000 1.109 184 D CA -2.229 51.748 54.000 -0.037 0.000 1.040 184 D CB 2.703 43.472 40.800 -0.051 0.000 1.175 184 D HN 0.414 8.796 8.370 0.021 0.000 0.584 185 R N -3.508 116.274 120.500 -1.198 0.000 2.285 185 R HA -0.233 2.813 4.340 -2.157 0.000 0.213 185 R C -0.276 175.461 176.300 -0.938 0.000 1.068 185 R CA 2.189 57.285 56.100 -1.673 0.000 1.004 185 R CB -0.604 28.517 30.300 -1.963 0.000 0.873 185 R HN 0.313 8.012 8.270 -0.951 0.000 0.467 186 Y N -3.666 116.408 120.300 -0.378 0.000 2.524 186 Y HA -0.062 4.371 4.550 -0.195 0.000 0.266 186 Y C -1.152 174.655 175.900 -0.155 0.000 1.180 186 Y CA -0.114 57.857 58.100 -0.215 0.000 1.244 186 Y CB -0.414 37.940 38.460 -0.176 0.000 1.125 186 Y HN -0.466 7.879 8.280 -0.249 -0.214 0.524 187 D N -3.747 116.612 120.400 -0.069 0.000 2.907 187 D HA -0.372 4.245 4.640 -0.039 0.000 0.226 187 D C -1.379 174.883 176.300 -0.064 0.000 1.141 187 D CA 1.861 55.833 54.000 -0.047 0.000 0.779 187 D CB -1.713 39.065 40.800 -0.038 0.000 1.095 187 D HN -0.087 8.003 8.370 -0.166 0.180 0.430 188 R N -2.387 118.078 120.500 -0.057 0.000 2.457 188 R HA 0.420 4.813 4.340 -0.104 -0.115 0.284 188 R C 0.075 176.302 176.300 -0.122 0.000 1.024 188 R CA -1.067 54.980 56.100 -0.087 0.000 1.025 188 R CB 1.783 32.044 30.300 -0.065 0.000 1.063 188 R HN -0.174 8.362 8.270 -0.037 -0.288 0.493 189 R N 3.770 124.166 120.500 -0.173 0.000 2.538 189 R HA -0.315 3.913 4.340 -0.187 0.000 0.282 189 R C -0.254 175.963 176.300 -0.137 0.000 1.009 189 R CA 1.187 57.189 56.100 -0.164 0.000 1.063 189 R CB 0.392 30.610 30.300 -0.138 0.000 0.945 189 R HN 0.107 8.268 8.270 -0.181 0.000 0.414 190 S N 6.217 121.809 115.700 -0.180 0.000 2.563 190 S HA -0.044 4.203 4.470 -0.372 0.000 0.284 190 S C 2.008 176.296 174.600 -0.521 0.000 1.331 190 S CA 0.943 58.868 58.200 -0.457 0.000 1.047 190 S CB 0.668 63.331 63.200 -0.895 0.000 0.859 190 S HN 0.334 8.482 8.310 -0.070 0.120 0.514 191 S N 4.170 119.616 115.700 -0.424 0.000 2.383 191 S HA -0.308 4.100 4.470 -0.103 0.000 0.229 191 S C 1.035 175.575 174.600 -0.099 0.000 1.030 191 S CA 2.957 61.057 58.200 -0.167 0.000 1.002 191 S CB 0.017 63.210 63.200 -0.012 0.000 0.829 191 S HN 0.749 8.850 8.310 -0.350 0.000 0.467 192 F N -5.033 114.969 119.950 0.086 0.000 2.776 192 F HA 0.188 4.755 4.527 0.067 0.000 0.300 192 F C -0.705 175.144 175.800 0.083 0.000 1.116 192 F CA -2.176 55.868 58.000 0.073 0.000 1.375 192 F CB -0.786 38.244 39.000 0.051 0.000 1.109 192 F HN -0.417 7.177 8.300 -1.135 0.026 0.585 193 S N 2.672 118.291 115.700 -0.135 0.000 2.533 193 S HA -0.177 4.444 4.470 0.252 0.000 0.282 193 S C 0.041 174.739 174.600 0.162 0.000 1.304 193 S CA -0.292 57.968 58.200 0.101 0.000 1.063 193 S CB 0.714 63.972 63.200 0.096 0.000 0.881 193 S HN -0.390 7.410 8.310 -0.560 0.174 0.493 194 N N 6.930 125.669 118.700 0.066 0.000 2.326 194 N HA 0.010 4.750 4.740 -0.170 -0.102 0.239 194 N C -0.789 174.748 175.510 0.043 0.000 1.301 194 N CA 2.155 55.153 53.050 -0.087 0.000 0.909 194 N CB 1.111 39.480 38.487 -0.196 0.000 1.156 194 N HN 0.060 8.479 8.380 0.065 0.000 0.462 195 Y N -6.540 113.813 120.300 0.089 0.000 2.896 195 Y HA 0.139 4.755 4.550 0.110 0.000 0.317 195 Y C -1.896 174.060 175.900 0.093 0.000 1.444 195 Y CA -1.861 56.310 58.100 0.119 0.000 1.084 195 Y CB 1.651 40.207 38.460 0.161 0.000 1.382 195 Y HN 0.418 8.179 8.280 -0.866 0.000 0.471 196 G N -2.942 106.077 108.800 0.365 0.000 2.423 196 G HA2 -0.221 3.924 3.960 0.309 0.000 0.684 196 G HA3 -0.221 3.972 3.960 0.137 -0.151 0.684 196 G C 0.102 175.085 174.900 0.139 0.000 1.309 196 G CA -0.372 44.867 45.100 0.231 0.000 0.950 196 G HN 0.033 8.603 8.290 0.466 0.000 0.587 197 S N -0.306 115.457 115.700 0.104 0.000 2.419 197 S HA -0.293 4.353 4.470 0.061 -0.139 0.233 197 S C 0.821 175.450 174.600 0.050 0.000 1.016 197 S CA 2.032 60.272 58.200 0.066 0.000 0.974 197 S CB -0.041 63.192 63.200 0.055 0.000 0.786 197 S HN 0.484 8.861 8.310 0.111 0.000 0.492 198 V N -0.292 119.651 119.914 0.048 0.000 3.041 198 V HA -0.044 4.098 4.120 0.036 0.000 0.260 198 V C -0.768 175.335 176.094 0.016 0.000 1.105 198 V CA -0.124 62.197 62.300 0.035 0.000 1.125 198 V CB 0.046 31.894 31.823 0.042 0.000 0.730 198 V HN -0.053 8.133 8.190 0.056 0.037 0.479 199 L N -1.787 119.439 121.223 0.005 0.000 2.490 199 L HA -0.282 4.149 4.340 -0.071 -0.133 0.274 199 L C 0.245 177.101 176.870 -0.023 0.000 1.201 199 L CA 1.548 56.357 54.840 -0.051 0.000 0.869 199 L CB -0.102 41.882 42.059 -0.124 0.000 1.123 199 L HN -0.687 7.530 8.230 0.028 0.029 0.484 200 D N 1.289 121.667 120.400 -0.036 0.000 2.338 200 D HA 0.089 4.742 4.640 0.021 0.000 0.208 200 D C -0.351 175.960 176.300 0.019 0.000 0.997 200 D CA 2.140 56.142 54.000 0.004 0.000 0.880 200 D CB 2.969 43.778 40.800 0.014 0.000 0.980 200 D HN 0.424 8.648 8.370 -0.065 0.107 0.509 201 I N -5.118 115.432 120.570 -0.034 0.000 2.897 201 I HA 0.104 4.351 4.170 0.128 0.000 0.299 201 I C -2.959 173.092 176.117 -0.110 0.000 1.527 201 I CA -0.668 60.652 61.300 0.032 0.000 0.979 201 I CB 3.833 41.867 38.000 0.056 0.000 1.360 201 I HN -0.783 7.353 8.210 -0.123 0.000 0.495 202 F N 2.540 122.521 119.950 0.051 0.000 2.507 202 F HA 0.674 5.380 4.527 0.056 -0.146 0.327 202 F C -0.738 175.084 175.800 0.037 0.000 1.068 202 F CA -2.044 55.985 58.000 0.049 0.000 0.965 202 F CB 4.080 43.106 39.000 0.043 0.000 1.192 202 F HN 0.429 8.943 8.300 0.357 0.000 0.476 203 G N -0.741 108.169 108.800 0.183 0.000 2.680 203 G HA2 0.581 4.560 3.960 0.032 0.000 0.290 203 G HA3 0.581 4.547 3.960 0.009 0.000 0.290 203 G C -3.454 171.435 174.900 -0.017 0.000 1.355 203 G CA -2.377 42.749 45.100 0.044 0.000 0.903 203 G HN 0.760 9.157 8.290 0.178 0.000 0.474 204 P HA -0.110 4.462 4.420 0.048 -0.124 0.263 204 P C -0.885 176.325 177.300 -0.150 0.000 1.195 204 P CA 0.535 63.408 63.100 -0.379 0.000 0.762 204 P CB 0.042 30.991 31.700 -1.253 0.000 0.799 205 G N 2.612 111.532 108.800 0.201 0.000 3.040 205 G HA2 0.216 4.323 3.960 0.245 0.000 0.214 205 G HA3 0.216 4.387 3.960 0.352 0.000 0.214 205 G C -1.444 173.725 174.900 0.449 0.000 1.093 205 G CA 0.873 46.159 45.100 0.309 0.000 0.931 205 G HN 1.043 9.448 8.290 0.360 0.101 0.632 206 T N 4.484 119.350 114.554 0.520 0.000 2.767 206 T HA 0.307 4.950 4.350 0.489 0.000 0.288 206 T C -1.499 173.508 174.700 0.512 0.000 0.963 206 T CA 1.009 63.398 62.100 0.482 0.000 1.019 206 T CB 0.651 69.723 68.868 0.339 0.000 0.923 206 T HN -0.544 8.060 8.240 0.606 0.000 0.468 207 D N 3.628 124.242 120.400 0.357 0.000 2.848 207 D HA -0.375 4.396 4.640 0.219 0.000 0.245 207 D C -1.750 174.785 176.300 0.392 0.000 1.122 207 D CA 1.726 55.919 54.000 0.321 0.000 0.769 207 D CB -1.437 39.529 40.800 0.276 0.000 1.025 207 D HN 0.691 9.233 8.370 0.286 0.000 0.423 208 I N -0.472 120.255 120.570 0.262 0.000 2.312 208 I HA 0.119 4.349 4.170 0.099 0.000 0.290 208 I C -1.200 175.025 176.117 0.181 0.000 1.008 208 I CA -2.903 58.503 61.300 0.177 0.000 1.226 208 I CB -0.718 37.407 38.000 0.207 0.000 1.371 208 I HN 0.355 8.701 8.210 0.225 0.000 0.468 209 L N 9.466 130.726 121.223 0.062 0.000 2.331 209 L HA 0.075 4.581 4.340 -0.029 -0.184 0.278 209 L C -1.492 175.174 176.870 -0.341 0.000 1.106 209 L CA -0.248 54.554 54.840 -0.063 0.000 0.824 209 L CB 0.448 42.489 42.059 -0.031 0.000 1.142 209 L HN 0.376 8.639 8.230 0.055 0.000 0.443 210 S N 3.870 119.186 115.700 -0.640 0.000 2.727 210 S HA 0.226 4.049 4.470 -1.078 0.000 0.278 210 S C -1.550 172.570 174.600 -0.800 0.000 1.186 210 S CA -2.036 55.581 58.200 -0.972 0.000 0.836 210 S CB 1.232 63.715 63.200 -1.196 0.000 1.186 210 S HN 0.475 8.572 8.310 -0.354 0.000 0.499 211 T N 0.014 114.207 114.554 -0.601 0.000 2.855 211 T HA 0.018 4.388 4.350 -0.248 -0.169 0.314 211 T C -0.840 173.923 174.700 0.106 0.000 1.077 211 T CA 0.528 62.413 62.100 -0.359 0.000 1.095 211 T CB 0.556 69.034 68.868 -0.651 0.000 0.987 211 T HN 0.253 8.167 8.240 -0.543 0.000 0.546 212 W N 0.950 122.244 121.300 -0.010 0.000 3.042 212 W HA 0.312 5.036 4.660 0.107 0.000 0.342 212 W C -1.154 175.468 176.519 0.172 0.000 1.240 212 W CA -1.099 56.304 57.345 0.098 0.000 1.166 212 W CB 4.537 34.045 29.460 0.079 0.000 1.469 212 W HN 0.378 8.668 8.180 0.306 0.075 0.579 213 I N -4.499 115.986 120.570 -0.141 0.000 3.060 213 I HA -0.319 4.009 4.170 0.032 -0.139 0.285 213 I C 0.229 176.429 176.117 0.138 0.000 1.190 213 I CA 1.198 62.482 61.300 -0.027 0.000 1.363 213 I CB 0.027 37.912 38.000 -0.192 0.000 1.396 213 I HN 0.000 7.625 8.210 -0.974 0.000 0.607 214 G N 1.610 110.455 108.800 0.075 0.000 2.176 214 G HA2 -0.376 3.601 3.960 0.028 0.000 0.252 214 G HA3 -0.376 3.635 3.960 0.085 0.000 0.252 214 G C 0.257 175.158 174.900 0.003 0.000 1.024 214 G CA -0.021 45.112 45.100 0.055 0.000 0.755 214 G HN 0.639 9.442 8.290 0.045 -0.486 0.507 215 G N -0.967 107.784 108.800 -0.081 0.000 2.249 215 G HA2 -0.426 2.890 3.960 -1.074 0.000 0.273 215 G HA3 -0.426 3.298 3.960 -0.394 0.000 0.273 215 G C -0.938 173.847 174.900 -0.191 0.000 1.036 215 G CA 0.498 45.336 45.100 -0.438 0.000 0.824 215 G HN 0.074 8.638 8.290 0.005 -0.271 0.504 216 S N -1.693 114.098 115.700 0.152 0.000 2.776 216 S HA 0.216 4.761 4.470 0.124 0.000 0.306 216 S C -1.385 173.387 174.600 0.286 0.000 1.114 216 S CA -1.285 57.038 58.200 0.205 0.000 0.973 216 S CB 2.369 65.682 63.200 0.188 0.000 1.250 216 S HN -0.577 7.860 8.310 0.235 0.015 0.549 217 T N -3.734 110.895 114.554 0.124 0.000 2.900 217 T HA 0.519 4.972 4.350 0.051 -0.072 0.303 217 T C -1.582 173.073 174.700 -0.075 0.000 1.142 217 T CA -1.492 60.594 62.100 -0.023 0.000 1.007 217 T CB 3.086 71.835 68.868 -0.198 0.000 1.156 217 T HN -0.249 8.038 8.240 0.079 0.000 0.490 218 R N -0.538 119.895 120.500 -0.112 0.000 2.712 218 R HA 0.334 4.582 4.340 -0.152 0.000 0.272 218 R C -2.343 173.922 176.300 -0.057 0.000 1.032 218 R CA -0.952 55.041 56.100 -0.179 0.000 0.874 218 R CB 2.700 32.733 30.300 -0.445 0.000 1.256 218 R HN 0.712 8.931 8.270 -0.084 0.000 0.468 219 S N 2.538 118.190 115.700 -0.080 0.000 2.437 219 S HA 0.839 5.577 4.470 0.110 -0.202 0.305 219 S C -0.454 174.092 174.600 -0.091 0.000 1.109 219 S CA -0.633 57.574 58.200 0.010 0.000 1.099 219 S CB 0.810 64.030 63.200 0.034 0.000 1.004 219 S HN 0.269 8.505 8.310 -0.124 0.000 0.475 220 I N 0.340 120.844 120.570 -0.109 0.000 3.264 220 I HA 0.556 4.652 4.170 -0.123 0.000 0.315 220 I C -2.376 173.711 176.117 -0.051 0.000 1.154 220 I CA -1.917 59.275 61.300 -0.181 0.000 0.962 220 I CB 3.877 41.664 38.000 -0.356 0.000 1.265 220 I HN 0.254 8.459 8.210 -0.009 0.000 0.463 221 S N 0.801 116.465 115.700 -0.060 0.000 2.548 221 S HA 0.924 5.667 4.470 0.149 -0.184 0.286 221 S C -0.981 173.496 174.600 -0.205 0.000 1.098 221 S CA -1.377 56.828 58.200 0.009 0.000 0.930 221 S CB 2.670 65.928 63.200 0.095 0.000 1.070 221 S HN 0.196 8.437 8.310 -0.115 0.000 0.480 222 G N 2.082 110.827 108.800 -0.092 0.000 2.340 222 G HA2 0.018 3.413 3.960 -0.942 0.000 0.300 222 G HA3 0.018 3.839 3.960 -0.232 0.000 0.300 222 G C -0.104 174.932 174.900 0.228 0.000 1.488 222 G CA 0.746 45.701 45.100 -0.240 0.000 0.878 222 G HN 0.503 8.835 8.290 0.254 0.110 0.618 223 T N -1.468 113.250 114.554 0.274 0.000 2.977 223 T HA -0.233 4.275 4.350 0.263 0.000 0.271 223 T C 1.596 176.383 174.700 0.145 0.000 1.105 223 T CA 3.168 65.403 62.100 0.226 0.000 1.116 223 T CB -0.083 68.885 68.868 0.168 0.000 0.878 223 T HN 0.589 9.359 8.240 0.203 -0.407 0.509 224 S N 1.910 117.684 115.700 0.123 0.000 2.419 224 S HA -0.259 4.292 4.470 0.135 0.000 0.233 224 S C 1.240 175.890 174.600 0.083 0.000 1.016 224 S CA 3.095 61.366 58.200 0.118 0.000 0.974 224 S CB -0.488 62.828 63.200 0.194 0.000 0.786 224 S HN 0.094 8.424 8.310 0.100 0.040 0.492 225 M N 0.226 119.898 119.600 0.121 0.000 2.435 225 M HA -0.086 4.483 4.480 0.148 0.000 0.265 225 M C 1.308 177.759 176.300 0.252 0.000 1.104 225 M CA 1.518 56.920 55.300 0.171 0.000 1.140 225 M CB -0.559 32.162 32.600 0.202 0.000 1.372 225 M HN -0.308 7.902 8.290 0.130 0.159 0.456 226 A N 1.040 123.991 122.820 0.217 0.000 1.897 226 A HA 0.043 4.761 4.320 0.198 -0.280 0.215 226 A C 1.903 179.592 177.584 0.175 0.000 1.181 226 A CA 2.935 55.088 52.037 0.194 0.000 0.620 226 A CB -0.844 18.241 19.000 0.143 0.000 0.821 226 A HN -0.486 7.685 8.150 0.197 0.098 0.443 227 T N -0.216 114.412 114.554 0.123 0.000 2.635 227 T HA -0.259 4.136 4.350 0.076 0.000 0.267 227 T C -0.711 174.036 174.700 0.078 0.000 1.040 227 T CA 6.100 68.252 62.100 0.087 0.000 1.156 227 T CB -2.339 66.574 68.868 0.075 0.000 0.863 227 T HN -0.293 8.022 8.240 0.125 0.000 0.430 228 P HA 0.150 4.574 4.420 0.006 0.000 0.223 228 P C 1.902 179.171 177.300 -0.051 0.000 1.151 228 P CA 2.638 65.731 63.100 -0.012 0.000 0.787 228 P CB -0.341 31.324 31.700 -0.059 0.000 0.788 229 H N -0.166 118.879 119.070 -0.042 0.000 2.353 229 H HA -0.239 4.251 4.556 -0.110 0.000 0.300 229 H C 2.502 177.812 175.328 -0.030 0.000 1.090 229 H CA 4.823 60.827 56.048 -0.074 0.000 1.327 229 H CB -0.262 29.440 29.762 -0.099 0.000 1.383 229 H HN -0.736 7.525 8.280 0.155 0.112 0.508 230 V N -0.789 119.204 119.914 0.132 0.000 2.358 230 V HA -0.477 3.708 4.120 0.108 0.000 0.246 230 V C 1.542 177.685 176.094 0.081 0.000 1.047 230 V CA 3.409 65.769 62.300 0.100 0.000 1.035 230 V CB -1.182 30.693 31.823 0.087 0.000 0.658 230 V HN -0.574 7.625 8.190 0.147 0.079 0.452 231 A N 0.070 122.927 122.820 0.062 0.000 1.883 231 A HA -0.226 4.132 4.320 0.063 0.000 0.217 231 A C 2.212 179.824 177.584 0.047 0.000 1.186 231 A CA 3.223 55.293 52.037 0.054 0.000 0.624 231 A CB -0.615 18.412 19.000 0.045 0.000 0.822 231 A HN 0.450 8.635 8.150 0.059 0.000 0.444 232 G N -1.963 106.847 108.800 0.017 0.000 2.422 232 G HA2 -0.273 3.693 3.960 0.010 0.000 0.218 232 G HA3 -0.273 3.664 3.960 -0.039 0.000 0.218 232 G C 0.941 175.879 174.900 0.064 0.000 1.146 232 G CA 1.701 46.806 45.100 0.008 0.000 0.769 232 G HN 0.109 8.285 8.290 -0.001 0.113 0.547 233 L N 2.515 123.781 121.223 0.071 0.000 2.046 233 L HA -0.348 4.040 4.340 0.081 0.000 0.208 233 L C 1.464 178.452 176.870 0.197 0.000 1.077 233 L CA 2.664 57.581 54.840 0.128 0.000 0.747 233 L CB -0.385 41.742 42.059 0.114 0.000 0.896 233 L HN -0.110 7.978 8.230 0.053 0.175 0.432 234 A N -1.242 121.662 122.820 0.141 0.000 1.883 234 A HA -0.482 3.919 4.320 0.136 0.000 0.217 234 A C 1.523 179.168 177.584 0.103 0.000 1.186 234 A CA 3.288 55.398 52.037 0.122 0.000 0.624 234 A CB -1.031 18.025 19.000 0.093 0.000 0.822 234 A HN 0.370 8.589 8.150 0.114 0.000 0.444 235 A N -0.707 122.170 122.820 0.096 0.000 1.883 235 A HA -0.331 4.017 4.320 0.048 0.000 0.217 235 A C 1.507 179.145 177.584 0.089 0.000 1.186 235 A CA 2.759 54.838 52.037 0.070 0.000 0.624 235 A CB -0.728 18.302 19.000 0.049 0.000 0.822 235 A HN -0.210 7.996 8.150 0.092 0.000 0.444 236 Y N -0.119 120.185 120.300 0.007 0.000 2.128 236 Y HA -0.436 4.117 4.550 0.005 0.000 0.284 236 Y C 1.848 177.756 175.900 0.013 0.000 1.154 236 Y CA 4.005 62.114 58.100 0.015 0.000 1.149 236 Y CB 0.076 38.558 38.460 0.037 0.000 0.976 236 Y HN -0.230 8.205 8.280 0.258 0.000 0.505 237 L N -2.320 118.956 121.223 0.088 0.000 2.156 237 L HA -0.499 3.768 4.340 -0.122 0.000 0.208 237 L C 1.986 178.772 176.870 -0.141 0.000 1.095 237 L CA 2.828 57.636 54.840 -0.053 0.000 0.770 237 L CB -0.319 41.781 42.059 0.067 0.000 0.914 237 L HN 0.193 8.501 8.230 0.258 0.076 0.439 238 M N -0.675 118.877 119.600 -0.080 0.000 2.132 238 M HA -0.286 4.300 4.480 -0.105 -0.169 0.263 238 M C 3.366 179.609 176.300 -0.095 0.000 1.065 238 M CA 3.781 59.031 55.300 -0.082 0.000 1.122 238 M CB 0.141 32.721 32.600 -0.033 0.000 1.365 238 M HN 0.315 8.516 8.290 -0.017 0.079 0.411 239 T N 1.335 115.828 114.554 -0.101 0.000 2.759 239 T HA -0.279 4.023 4.350 -0.079 0.000 0.269 239 T C 1.462 176.074 174.700 -0.146 0.000 1.042 239 T CA 4.077 66.110 62.100 -0.110 0.000 1.140 239 T CB -0.075 68.729 68.868 -0.105 0.000 0.864 239 T HN -0.035 8.153 8.240 -0.087 0.000 0.455 240 L N -3.345 117.747 121.223 -0.219 0.000 2.465 240 L HA -0.201 4.024 4.340 -0.192 0.000 0.224 240 L C 0.456 177.243 176.870 -0.139 0.000 1.145 240 L CA 0.675 55.394 54.840 -0.202 0.000 0.834 240 L CB 0.285 42.179 42.059 -0.275 0.000 0.944 240 L HN -0.545 7.425 8.230 -0.268 0.099 0.451 241 G N -3.173 105.547 108.800 -0.134 0.000 2.143 241 G HA2 -0.323 3.639 3.960 -0.104 0.000 0.249 241 G HA3 -0.323 3.583 3.960 -0.091 0.000 0.249 241 G C 0.399 175.212 174.900 -0.144 0.000 0.981 241 G CA 0.612 45.645 45.100 -0.112 0.000 0.665 241 G HN -0.390 7.619 8.290 -0.142 0.196 0.528 242 K N -2.188 118.084 120.400 -0.214 0.000 2.305 242 K HA -0.071 4.104 4.320 -0.242 0.000 0.199 242 K C -0.435 175.855 176.600 -0.516 0.000 1.047 242 K CA 1.002 57.090 56.287 -0.331 0.000 0.976 242 K CB 0.685 32.960 32.500 -0.374 0.000 0.765 242 K HN -0.127 7.951 8.250 -0.212 0.045 0.474 243 T N -3.761 110.557 114.554 -0.393 0.000 2.711 243 T HA 0.187 4.382 4.350 -0.257 0.000 0.302 243 T C -1.940 172.671 174.700 -0.148 0.000 1.373 243 T CA -1.047 60.864 62.100 -0.315 0.000 1.000 243 T CB 1.451 70.042 68.868 -0.461 0.000 1.483 243 T HN -0.835 7.196 8.240 -0.290 0.034 0.499 244 T N -1.670 112.836 114.554 -0.079 0.000 2.888 244 T HA 0.474 4.801 4.350 -0.039 0.000 0.288 244 T C -0.148 174.547 174.700 -0.008 0.000 1.063 244 T CA -2.697 59.381 62.100 -0.037 0.000 1.010 244 T CB 3.530 72.385 68.868 -0.022 0.000 1.214 244 T HN 0.066 8.267 8.240 -0.065 0.000 0.533 245 A N 1.222 124.045 122.820 0.004 0.000 1.940 245 A HA -0.288 4.048 4.320 0.026 0.000 0.219 245 A C 1.150 178.748 177.584 0.023 0.000 1.176 245 A CA 2.948 54.997 52.037 0.019 0.000 0.631 245 A CB -0.535 18.478 19.000 0.022 0.000 0.814 245 A HN 0.485 8.636 8.150 0.000 0.000 0.446 246 A N -4.706 118.124 122.820 0.017 0.000 2.015 246 A HA -0.176 4.157 4.320 0.021 0.000 0.219 246 A C 0.555 178.158 177.584 0.033 0.000 1.163 246 A CA 2.077 54.127 52.037 0.021 0.000 0.646 246 A CB 0.100 19.109 19.000 0.015 0.000 0.806 246 A HN -0.092 8.053 8.150 0.011 0.012 0.448 247 S N -4.551 111.171 115.700 0.037 0.000 2.559 247 S HA 0.220 4.729 4.470 0.065 0.000 0.226 247 S C 1.502 176.161 174.600 0.097 0.000 1.000 247 S CA -0.278 57.958 58.200 0.061 0.000 0.948 247 S CB 1.376 64.608 63.200 0.054 0.000 0.870 247 S HN -0.691 7.486 8.310 0.024 0.148 0.497 248 A N 3.513 126.380 122.820 0.080 0.000 1.898 248 A HA -0.153 4.247 4.320 0.133 0.000 0.216 248 A C 1.188 178.869 177.584 0.161 0.000 1.181 248 A CA 3.212 55.319 52.037 0.117 0.000 0.620 248 A CB -1.052 17.995 19.000 0.077 0.000 0.819 248 A HN 0.074 8.257 8.150 0.054 0.000 0.442 249 c N -2.896 115.772 118.600 0.113 0.000 2.432 249 c HA -0.415 4.220 4.570 0.109 0.000 0.277 249 c C 1.730 175.885 174.090 0.109 0.000 1.249 249 c CA 3.002 59.392 56.329 0.101 0.000 1.725 249 c CB -0.776 41.776 42.510 0.069 0.000 2.028 249 c HN 0.345 8.628 8.230 0.088 0.000 0.477 250 R N -0.705 119.860 120.500 0.108 0.000 2.081 250 R HA -0.361 4.023 4.340 0.073 0.000 0.235 250 R C 1.777 178.148 176.300 0.119 0.000 1.131 250 R CA 3.378 59.537 56.100 0.098 0.000 0.960 250 R CB -0.436 29.917 30.300 0.088 0.000 0.856 250 R HN -0.118 8.213 8.270 0.102 0.000 0.436 251 Y N 0.787 121.116 120.300 0.048 0.000 2.181 251 Y HA -0.278 4.303 4.550 0.051 0.000 0.288 251 Y C 1.999 177.940 175.900 0.068 0.000 1.146 251 Y CA 3.432 61.564 58.100 0.054 0.000 1.164 251 Y CB 0.051 38.541 38.460 0.050 0.000 0.982 251 Y HN -0.057 8.316 8.280 0.272 0.070 0.515 252 I N -1.049 119.629 120.570 0.180 0.000 2.226 252 I HA -0.567 3.662 4.170 0.100 0.000 0.245 252 I C 1.693 177.834 176.117 0.040 0.000 1.100 252 I CA 3.660 65.028 61.300 0.113 0.000 1.374 252 I CB 0.218 38.316 38.000 0.163 0.000 1.057 252 I HN 0.219 8.483 8.210 0.267 0.107 0.413 253 A N -1.239 121.609 122.820 0.046 0.000 1.902 253 A HA -0.392 3.960 4.320 0.054 0.000 0.217 253 A C 2.185 179.767 177.584 -0.004 0.000 1.181 253 A CA 3.140 55.199 52.037 0.037 0.000 0.623 253 A CB -0.675 18.352 19.000 0.044 0.000 0.818 253 A HN -0.087 8.027 8.150 0.068 0.077 0.443 254 D N -3.012 117.356 120.400 -0.054 0.000 2.149 254 D HA -0.223 4.388 4.640 -0.048 0.000 0.198 254 D C 2.439 178.672 176.300 -0.111 0.000 0.990 254 D CA 3.135 57.082 54.000 -0.088 0.000 0.839 254 D CB -0.116 40.597 40.800 -0.146 0.000 0.948 254 D HN 0.309 8.478 8.370 -0.043 0.176 0.460 255 T N -5.310 109.137 114.554 -0.179 0.000 3.105 255 T HA -0.012 4.300 4.350 -0.064 0.000 0.253 255 T C -0.224 174.527 174.700 0.086 0.000 1.047 255 T CA -0.917 61.115 62.100 -0.113 0.000 0.944 255 T CB 0.099 68.779 68.868 -0.314 0.000 1.016 255 T HN -0.361 7.629 8.240 -0.228 0.113 0.544 256 A N 1.374 124.243 122.820 0.082 0.000 2.386 256 A HA -0.177 4.331 4.320 0.217 -0.058 0.246 256 A C -1.007 176.648 177.584 0.118 0.000 1.089 256 A CA -0.127 51.999 52.037 0.148 0.000 0.790 256 A CB 1.464 20.528 19.000 0.105 0.000 1.042 256 A HN -0.818 7.170 8.150 0.027 0.179 0.497 257 N N 0.417 119.159 118.700 0.071 0.000 2.475 257 N HA -0.134 4.555 4.740 -0.085 0.000 0.267 257 N C -0.721 174.783 175.510 -0.009 0.000 1.169 257 N CA 1.237 54.256 53.050 -0.051 0.000 0.947 257 N CB 0.810 39.219 38.487 -0.131 0.000 1.061 257 N HN 0.007 8.464 8.380 0.129 0.000 0.466 258 K N 4.011 124.400 120.400 -0.019 0.000 2.206 258 K HA 0.358 4.879 4.320 0.002 -0.200 0.264 258 K C 0.875 177.460 176.600 -0.025 0.000 0.967 258 K CA -0.500 55.781 56.287 -0.010 0.000 0.844 258 K CB 0.834 33.332 32.500 -0.003 0.000 1.099 258 K HN 0.345 8.576 8.250 -0.031 0.000 0.441 259 G N 6.216 114.999 108.800 -0.029 0.000 2.148 259 G HA2 -0.401 3.678 3.960 -0.042 0.000 0.254 259 G HA3 -0.401 3.541 3.960 -0.030 0.000 0.254 259 G C -0.203 174.667 174.900 -0.049 0.000 0.981 259 G CA 1.031 46.109 45.100 -0.038 0.000 0.670 259 G HN 0.778 8.942 8.290 -0.024 0.111 0.528 260 D N -1.577 118.788 120.400 -0.057 0.000 2.289 260 D HA -0.085 4.523 4.640 -0.053 0.000 0.207 260 D C -0.466 175.788 176.300 -0.078 0.000 0.966 260 D CA 1.296 55.260 54.000 -0.061 0.000 0.868 260 D CB 0.247 41.013 40.800 -0.057 0.000 0.943 260 D HN 0.258 8.561 8.370 -0.054 0.035 0.514 261 L N -2.363 118.790 121.223 -0.117 0.000 2.375 261 L HA 0.303 4.835 4.340 -0.143 -0.278 0.271 261 L C 0.428 177.210 176.870 -0.147 0.000 1.107 261 L CA -0.655 54.086 54.840 -0.166 0.000 0.806 261 L CB 1.589 43.459 42.059 -0.315 0.000 1.146 261 L HN -0.729 7.394 8.230 -0.118 0.036 0.447 262 S N 0.989 116.609 115.700 -0.135 0.000 2.690 262 S HA 0.166 4.578 4.470 -0.096 0.000 0.291 262 S C -0.081 174.441 174.600 -0.130 0.000 1.138 262 S CA -0.992 57.143 58.200 -0.109 0.000 1.013 262 S CB 2.257 65.410 63.200 -0.079 0.000 1.053 262 S HN 0.558 8.786 8.310 -0.138 0.000 0.539 263 N N -0.584 118.054 118.700 -0.103 0.000 2.735 263 N HA -0.287 4.400 4.740 -0.088 0.000 0.248 263 N C -2.205 173.229 175.510 -0.125 0.000 1.083 263 N CA 0.691 53.679 53.050 -0.103 0.000 0.703 263 N CB -0.846 37.584 38.487 -0.094 0.000 1.005 263 N HN 0.548 8.878 8.380 -0.082 0.000 0.550 264 I N -1.110 119.385 120.570 -0.125 0.000 2.312 264 I HA 0.298 4.403 4.170 -0.109 0.000 0.291 264 I C -1.963 174.111 176.117 -0.071 0.000 1.031 264 I CA -4.168 57.063 61.300 -0.115 0.000 1.293 264 I CB -0.656 37.260 38.000 -0.139 0.000 1.403 264 I HN -0.045 8.063 8.210 -0.115 0.032 0.484 265 P HA 0.087 4.482 4.420 -0.041 0.000 0.268 265 P C -0.986 176.339 177.300 0.041 0.000 1.205 265 P CA -0.891 62.160 63.100 -0.081 0.000 0.771 265 P CB 0.733 32.269 31.700 -0.274 0.000 0.858 266 F N 3.526 123.453 119.950 -0.038 0.000 2.629 266 F HA -0.378 4.148 4.527 -0.003 0.000 0.377 266 F C 0.805 176.621 175.800 0.027 0.000 1.101 266 F CA 1.822 59.819 58.000 -0.004 0.000 1.301 266 F CB 0.684 39.680 39.000 -0.007 0.000 1.062 266 F HN -0.072 8.358 8.300 0.216 0.000 0.583 267 G N 7.298 115.836 108.800 -0.436 0.000 2.194 267 G HA2 -0.251 3.537 3.960 -0.287 0.000 0.236 267 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.236 267 G C -1.066 173.802 174.900 -0.052 0.000 0.987 267 G CA -0.234 44.751 45.100 -0.191 0.000 0.635 267 G HN 0.415 8.199 8.290 -0.843 0.000 0.520 268 T N 3.166 117.714 114.554 -0.009 0.000 2.829 268 T HA 0.343 4.762 4.350 0.116 0.000 0.282 268 T C 0.577 175.321 174.700 0.074 0.000 0.990 268 T CA -0.017 62.144 62.100 0.101 0.000 1.028 268 T CB 1.761 70.759 68.868 0.217 0.000 0.951 268 T HN -0.401 7.725 8.240 -0.047 0.085 0.460 269 V N 1.823 121.813 119.914 0.127 0.000 2.788 269 V HA -0.091 4.053 4.120 0.040 0.000 0.307 269 V C -0.624 175.568 176.094 0.164 0.000 1.069 269 V CA -0.002 62.368 62.300 0.117 0.000 1.173 269 V CB 0.256 32.157 31.823 0.130 0.000 0.925 269 V HN 0.288 8.559 8.190 0.134 0.000 0.492 270 N N 6.896 125.630 118.700 0.057 0.000 3.194 270 N HA 0.288 4.998 4.740 -0.051 0.000 0.271 270 N C -2.153 173.376 175.510 0.032 0.000 1.308 270 N CA -0.800 52.247 53.050 -0.005 0.000 1.042 270 N CB -0.197 38.257 38.487 -0.055 0.000 1.310 270 N HN 0.364 8.757 8.380 0.021 0.000 0.502 271 L N 1.425 122.725 121.223 0.127 0.000 2.438 271 L HA 0.615 5.178 4.340 0.077 -0.177 0.270 271 L C -2.429 174.559 176.870 0.197 0.000 0.972 271 L CA -1.142 53.779 54.840 0.134 0.000 0.831 271 L CB 3.828 45.968 42.059 0.135 0.000 1.273 271 L HN -0.499 7.838 8.230 0.255 0.046 0.405 272 L N 3.745 125.048 121.223 0.135 0.000 2.356 272 L HA 0.690 5.352 4.340 0.207 -0.198 0.277 272 L C -1.920 175.045 176.870 0.157 0.000 0.996 272 L CA -2.349 52.582 54.840 0.152 0.000 0.822 272 L CB 4.581 46.692 42.059 0.087 0.000 1.256 272 L HN 0.663 8.947 8.230 0.091 0.000 0.413 273 A N 7.328 130.245 122.820 0.161 0.000 2.567 273 A HA -0.083 4.335 4.320 0.163 0.000 0.240 273 A C -2.139 175.589 177.584 0.239 0.000 1.053 273 A CA 1.262 53.400 52.037 0.169 0.000 0.755 273 A CB 0.564 19.642 19.000 0.129 0.000 0.978 273 A HN 0.514 8.761 8.150 0.162 0.000 0.507 274 Y N 3.735 124.087 120.300 0.087 0.000 2.441 274 Y HA 0.345 5.164 4.550 0.104 -0.207 0.334 274 Y C -2.149 173.835 175.900 0.140 0.000 1.061 274 Y CA -1.619 56.542 58.100 0.102 0.000 1.032 274 Y CB 3.732 42.242 38.460 0.083 0.000 1.266 274 Y HN 0.089 8.514 8.280 0.241 0.000 0.441 275 N N 2.721 121.277 118.700 -0.241 0.000 2.463 275 N HA -0.133 4.615 4.740 0.013 0.000 0.181 275 N C 0.224 175.553 175.510 -0.301 0.000 1.078 275 N CA 0.290 53.254 53.050 -0.144 0.000 0.902 275 N CB 0.844 39.313 38.487 -0.030 0.000 0.970 275 N HN 0.542 8.868 8.380 -0.089 0.000 0.451 276 N N -1.442 116.592 118.700 -1.109 0.000 2.716 276 N HA -0.477 3.731 4.740 -0.886 0.000 0.250 276 N C -1.435 174.002 175.510 -0.122 0.000 1.033 276 N CA 0.895 53.535 53.050 -0.684 0.000 0.727 276 N CB -1.477 36.851 38.487 -0.265 0.000 0.950 276 N HN -0.182 6.725 8.380 -2.382 0.043 0.541 277 Y N -0.747 119.472 120.300 -0.134 0.000 2.465 277 Y HA -0.208 4.381 4.550 0.065 0.000 0.331 277 Y C -0.593 175.309 175.900 0.003 0.000 1.102 277 Y CA 1.143 59.255 58.100 0.020 0.000 1.358 277 Y CB 0.683 39.196 38.460 0.090 0.000 1.213 277 Y HN -0.396 8.164 8.280 -0.008 -0.285 0.525 278 Q N 5.537 124.979 119.800 -0.596 0.000 2.363 278 Q HA 0.289 4.331 4.340 -0.497 0.000 0.265 278 Q C -0.426 175.085 176.000 -0.815 0.000 1.032 278 Q CA -1.349 54.124 55.803 -0.550 0.000 0.746 278 Q CB 0.295 28.892 28.738 -0.236 0.000 1.237 278 Q HN 0.137 8.153 8.270 -0.422 0.000 0.475 279 A N 0.000 122.310 122.820 -0.851 0.000 2.254 279 A HA 0.000 4.018 4.320 -0.503 0.000 0.244 279 A CA 0.000 51.723 52.037 -0.524 0.000 0.836 279 A CB 0.000 18.858 19.000 -0.236 0.000 0.831 279 A HN 0.000 7.738 8.150 -0.687 0.000 0.486