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 3f1l_1_B DATA FIRST_RESID 1 DATA SEQUENCE MHYQPKQDLL NDRIILVTGA SDGIGREAAM TYARYGATVI LLGRNEEKLR DATA SEQUENCE QVASHINEET GRQPQWFILD LLTCTSENCQ QLAQRIAVNY PRLDGVLHNA DATA SEQUENCE GLLGDVCPMS EQNPQVWQDV MQVNVNATFM LTQALLPLLL KSDAGSLVFT DATA SEQUENCE SSSVGRQGRA NWGAYAASKF ATEGMMQVLA DEYQQRLRVN CINPGGTRTA DATA SEQUENCE MRASAFPTED PQKLKTPADI MPLYLWLMGD DSRRKTGMTF DAQP 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 M HA 0.000 4.391 4.480 -0.148 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.215 55.300 -0.142 0.000 0.988 1 M CB 0.000 32.389 32.600 -0.351 0.000 1.302 2 H N 3.320 122.376 119.070 -0.023 0.000 3.045 2 H HA 0.146 4.720 4.556 0.031 0.000 0.254 2 H C -1.772 173.607 175.328 0.085 0.000 1.747 2 H CA -0.626 55.437 56.048 0.025 0.000 1.444 2 H CB -0.866 28.901 29.762 0.009 0.000 1.778 2 H HN 0.260 8.620 8.280 0.133 0.000 0.544 3 Y N 5.724 125.887 120.300 -0.228 0.000 2.335 3 Y HA 0.031 4.483 4.550 -0.164 0.000 0.339 3 Y C -1.711 174.073 175.900 -0.193 0.000 0.987 3 Y CA -1.074 56.917 58.100 -0.181 0.000 1.140 3 Y CB 1.422 39.815 38.460 -0.113 0.000 1.173 3 Y HN -0.661 7.631 8.280 0.060 0.023 0.486 4 Q N 8.050 127.564 119.800 -0.477 0.000 2.849 4 Q HA 0.387 4.520 4.340 -0.345 0.000 0.289 4 Q C -2.095 173.651 176.000 -0.425 0.000 1.012 4 Q CA -3.337 52.227 55.803 -0.398 0.000 0.899 4 Q CB 0.011 28.592 28.738 -0.262 0.000 1.235 4 Q HN 0.151 8.202 8.270 -0.365 0.000 0.457 5 P HA 0.149 4.328 4.420 -0.401 0.000 0.276 5 P C -0.646 176.626 177.300 -0.047 0.000 1.244 5 P CA -0.833 62.014 63.100 -0.422 0.000 0.801 5 P CB 0.918 32.296 31.700 -0.537 0.000 1.006 6 K N -0.820 119.583 120.400 0.005 0.000 2.518 6 K HA -0.269 4.068 4.320 0.029 0.000 0.276 6 K C 1.072 177.761 176.600 0.147 0.000 0.974 6 K CA 0.850 57.170 56.287 0.055 0.000 0.986 6 K CB 0.341 32.865 32.500 0.041 0.000 0.901 6 K HN 0.052 8.293 8.250 -0.014 0.000 0.497 7 Q N 0.776 120.597 119.800 0.034 0.000 2.436 7 Q HA -0.269 3.895 4.340 -0.293 0.000 0.209 7 Q C -0.123 175.848 176.000 -0.048 0.000 0.965 7 Q CA 2.545 58.267 55.803 -0.134 0.000 0.910 7 Q CB -0.391 28.214 28.738 -0.221 0.000 0.980 7 Q HN 0.708 8.976 8.270 -0.003 0.000 0.491 8 D N -4.995 115.431 120.400 0.044 0.000 2.463 8 D HA 0.041 4.794 4.640 0.048 -0.084 0.224 8 D C 0.858 177.218 176.300 0.100 0.000 1.174 8 D CA -1.695 52.339 54.000 0.056 0.000 0.829 8 D CB -1.657 39.156 40.800 0.022 0.000 0.993 8 D HN -0.004 8.350 8.370 0.046 0.043 0.497 9 L N 1.227 122.557 121.223 0.178 0.000 2.051 9 L HA -0.325 4.071 4.340 0.094 0.000 0.214 9 L C -0.106 176.812 176.870 0.081 0.000 1.076 9 L CA 3.209 58.128 54.840 0.132 0.000 0.758 9 L CB 0.297 42.444 42.059 0.148 0.000 0.890 9 L HN -0.659 7.664 8.230 0.269 0.068 0.433 10 L N -7.073 114.214 121.223 0.107 0.000 2.818 10 L HA 0.087 4.427 4.340 0.000 0.000 0.243 10 L C -0.932 175.961 176.870 0.039 0.000 1.185 10 L CA -1.533 53.332 54.840 0.043 0.000 0.988 10 L CB -0.763 41.317 42.059 0.034 0.000 1.292 10 L HN -0.328 7.985 8.230 0.169 0.019 0.519 11 N N 0.868 119.596 118.700 0.045 0.000 2.356 11 N HA -0.299 4.640 4.740 0.038 -0.177 0.252 11 N C 0.404 175.924 175.510 0.017 0.000 1.241 11 N CA 1.604 54.673 53.050 0.032 0.000 0.861 11 N CB -0.059 38.444 38.487 0.026 0.000 1.075 11 N HN -0.683 7.679 8.380 0.054 0.051 0.461 12 D N -3.677 116.734 120.400 0.019 0.000 2.911 12 D HA -0.371 4.282 4.640 0.022 0.000 0.227 12 D C -1.334 174.967 176.300 0.001 0.000 1.164 12 D CA 2.007 56.015 54.000 0.014 0.000 0.782 12 D CB -0.915 39.890 40.800 0.008 0.000 1.094 12 D HN 0.288 8.674 8.370 0.026 0.000 0.425 13 R N -3.660 116.836 120.500 -0.006 0.000 2.387 13 R HA 0.517 5.029 4.340 -0.039 -0.196 0.314 13 R C -1.050 175.232 176.300 -0.030 0.000 0.958 13 R CA -2.699 53.378 56.100 -0.037 0.000 0.846 13 R CB 1.562 31.816 30.300 -0.077 0.000 1.147 13 R HN -0.625 7.610 8.270 0.002 0.036 0.447 14 I N 5.017 125.565 120.570 -0.037 0.000 2.304 14 I HA 0.476 4.854 4.170 -0.011 -0.215 0.291 14 I C -0.945 175.110 176.117 -0.104 0.000 1.018 14 I CA -0.256 61.021 61.300 -0.039 0.000 1.260 14 I CB 0.740 38.736 38.000 -0.006 0.000 1.390 14 I HN 0.397 8.910 8.210 -0.042 -0.328 0.475 15 I N 6.516 127.026 120.570 -0.101 0.000 2.466 15 I HA 0.418 4.683 4.170 -0.150 -0.185 0.289 15 I C -1.638 174.434 176.117 -0.074 0.000 1.026 15 I CA -1.490 59.740 61.300 -0.118 0.000 1.078 15 I CB 3.115 41.015 38.000 -0.167 0.000 1.249 15 I HN 0.653 8.824 8.210 -0.065 0.000 0.429 16 L N 8.107 129.263 121.223 -0.111 0.000 2.289 16 L HA 0.655 5.134 4.340 -0.065 -0.178 0.285 16 L C -2.031 174.814 176.870 -0.042 0.000 1.049 16 L CA -1.283 53.501 54.840 -0.093 0.000 0.804 16 L CB 2.486 44.447 42.059 -0.163 0.000 1.195 16 L HN 0.355 8.499 8.230 -0.144 0.000 0.428 17 V N 6.323 126.248 119.914 0.019 0.000 2.483 17 V HA 0.551 4.849 4.120 0.036 -0.157 0.297 17 V C -0.882 175.236 176.094 0.039 0.000 1.027 17 V CA -1.747 60.582 62.300 0.047 0.000 0.855 17 V CB 2.511 34.390 31.823 0.093 0.000 0.995 17 V HN 0.629 8.839 8.190 0.033 0.000 0.424 18 T N 4.061 118.635 114.554 0.033 0.000 2.902 18 T HA 0.297 4.823 4.350 0.071 -0.133 0.280 18 T C 1.184 175.931 174.700 0.080 0.000 0.992 18 T CA -1.849 60.292 62.100 0.070 0.000 1.015 18 T CB 1.601 70.534 68.868 0.109 0.000 1.044 18 T HN 0.239 8.488 8.240 0.015 0.000 0.520 19 G N -0.317 108.532 108.800 0.081 0.000 2.305 19 G HA2 -0.398 3.599 3.960 0.062 0.000 0.287 19 G HA3 -0.398 3.606 3.960 0.074 0.000 0.287 19 G C -0.062 174.862 174.900 0.040 0.000 1.036 19 G CA 0.887 46.026 45.100 0.066 0.000 0.887 19 G HN 0.396 8.738 8.290 0.086 0.000 0.505 20 A N -1.474 121.369 122.820 0.038 0.000 2.235 20 A HA -0.086 4.131 4.320 0.008 0.107 0.208 20 A C 0.428 178.007 177.584 -0.008 0.000 1.172 20 A CA 1.335 53.383 52.037 0.018 0.000 0.786 20 A CB -0.129 18.895 19.000 0.041 0.000 0.804 20 A HN -0.529 7.652 8.150 0.051 0.000 0.479 21 S N -5.424 110.269 115.700 -0.012 0.000 2.496 21 S HA -0.168 4.263 4.470 -0.064 0.000 0.224 21 S C -0.693 173.886 174.600 -0.035 0.000 0.996 21 S CA 0.554 58.730 58.200 -0.041 0.000 0.927 21 S CB 0.401 63.573 63.200 -0.047 0.000 0.774 21 S HN 0.114 8.364 8.310 0.002 0.061 0.524 22 D N -3.439 116.950 120.400 -0.018 0.000 2.665 22 D HA 0.124 4.753 4.640 -0.019 0.000 0.287 22 D C 0.601 176.893 176.300 -0.014 0.000 1.266 22 D CA -0.806 53.184 54.000 -0.015 0.000 0.830 22 D CB 1.461 42.255 40.800 -0.009 0.000 1.356 22 D HN -0.895 7.468 8.370 -0.011 0.000 0.437 23 G N -0.916 107.875 108.800 -0.015 0.000 2.614 23 G HA2 -0.381 3.569 3.960 -0.017 0.000 0.303 23 G HA3 -0.381 3.576 3.960 -0.005 0.000 0.303 23 G C 0.864 175.734 174.900 -0.050 0.000 1.270 23 G CA 1.084 46.173 45.100 -0.018 0.000 0.988 23 G HN 0.297 8.579 8.290 -0.012 0.000 0.551 24 I N 4.481 125.018 120.570 -0.055 0.000 2.315 24 I HA -0.318 3.746 4.170 -0.176 0.000 0.248 24 I C 1.711 177.728 176.117 -0.166 0.000 1.117 24 I CA 2.830 64.048 61.300 -0.136 0.000 1.404 24 I CB -0.214 37.723 38.000 -0.106 0.000 1.071 24 I HN 0.340 8.536 8.210 -0.024 0.000 0.419 25 G N -1.472 107.284 108.800 -0.074 0.000 2.418 25 G HA2 -0.380 3.540 3.960 -0.067 0.000 0.217 25 G HA3 -0.380 3.765 3.960 -0.012 -0.192 0.217 25 G C 0.495 175.346 174.900 -0.081 0.000 1.158 25 G CA 1.969 47.035 45.100 -0.057 0.000 0.771 25 G HN -0.078 8.192 8.290 -0.033 0.000 0.545 26 R N 1.695 122.157 120.500 -0.064 0.000 2.081 26 R HA -0.246 4.207 4.340 -0.041 -0.137 0.235 26 R C 1.888 178.137 176.300 -0.085 0.000 1.131 26 R CA 3.104 59.171 56.100 -0.055 0.000 0.960 26 R CB -0.023 30.256 30.300 -0.035 0.000 0.856 26 R HN -0.483 7.756 8.270 -0.052 0.000 0.436 27 E N -0.867 119.260 120.200 -0.122 0.000 2.106 27 E HA -0.284 4.004 4.350 -0.103 0.000 0.192 27 E C 1.913 178.369 176.600 -0.240 0.000 0.984 27 E CA 2.663 58.972 56.400 -0.151 0.000 0.806 27 E CB -0.496 29.108 29.700 -0.161 0.000 0.750 27 E HN -0.653 7.634 8.360 -0.122 0.000 0.458 28 A N -0.306 122.301 122.820 -0.356 0.000 1.898 28 A HA -0.132 3.779 4.320 -0.682 0.000 0.216 28 A C 1.878 179.129 177.584 -0.554 0.000 1.181 28 A CA 3.014 54.693 52.037 -0.597 0.000 0.620 28 A CB -0.643 17.999 19.000 -0.596 0.000 0.819 28 A HN 0.082 8.034 8.150 -0.330 0.000 0.442 29 A N -1.255 121.423 122.820 -0.236 0.000 1.883 29 A HA -0.441 3.891 4.320 0.020 0.000 0.217 29 A C 1.855 179.436 177.584 -0.004 0.000 1.186 29 A CA 3.160 55.166 52.037 -0.051 0.000 0.624 29 A CB -0.541 18.464 19.000 0.008 0.000 0.822 29 A HN -0.202 7.837 8.150 -0.185 0.000 0.444 30 M N -2.507 117.076 119.600 -0.029 0.000 2.117 30 M HA -0.465 4.045 4.480 0.050 0.000 0.262 30 M C 2.485 178.813 176.300 0.047 0.000 1.065 30 M CA 4.492 59.804 55.300 0.020 0.000 1.114 30 M CB 0.012 32.618 32.600 0.010 0.000 1.361 30 M HN -0.310 7.946 8.290 -0.058 0.000 0.408 31 T N 2.058 116.607 114.554 -0.007 0.000 2.708 31 T HA -0.410 4.043 4.350 0.172 0.000 0.266 31 T C 1.963 176.829 174.700 0.276 0.000 1.037 31 T CA 5.125 67.282 62.100 0.095 0.000 1.146 31 T CB 0.076 68.916 68.868 -0.045 0.000 0.865 31 T HN -0.042 8.140 8.240 -0.096 0.000 0.435 32 Y N -0.287 120.087 120.300 0.124 0.000 2.165 32 Y HA -0.365 4.266 4.550 0.135 0.000 0.286 32 Y C 2.089 178.073 175.900 0.141 0.000 1.155 32 Y CA 1.153 59.327 58.100 0.123 0.000 1.164 32 Y CB -1.278 37.224 38.460 0.069 0.000 0.978 32 Y HN -0.019 8.236 8.280 -0.041 0.000 0.513 33 A N -1.163 121.815 122.820 0.264 0.000 1.933 33 A HA -0.178 4.413 4.320 0.164 -0.173 0.218 33 A C 2.801 180.467 177.584 0.137 0.000 1.175 33 A CA 2.347 54.486 52.037 0.171 0.000 0.628 33 A CB -0.676 18.400 19.000 0.127 0.000 0.814 33 A HN -0.198 8.091 8.150 0.232 0.000 0.444 34 R N -2.933 117.652 120.500 0.141 0.000 2.152 34 R HA -0.280 4.055 4.340 -0.007 0.000 0.232 34 R C 1.437 177.696 176.300 -0.067 0.000 1.117 34 R CA 2.731 58.850 56.100 0.031 0.000 0.981 34 R CB 0.197 30.509 30.300 0.019 0.000 0.870 34 R HN -0.425 7.868 8.270 0.170 0.079 0.451 35 Y N -3.589 116.755 120.300 0.073 0.000 2.532 35 Y HA 0.121 4.897 4.550 0.038 -0.204 0.283 35 Y C -0.483 175.445 175.900 0.047 0.000 1.181 35 Y CA -0.030 58.106 58.100 0.059 0.000 1.256 35 Y CB 0.250 38.761 38.460 0.085 0.000 1.112 35 Y HN -0.731 7.660 8.280 0.405 0.132 0.521 36 G N -2.938 105.940 108.800 0.129 0.000 2.195 36 G HA2 -0.447 3.547 3.960 0.057 0.000 0.224 36 G HA3 -0.447 3.782 3.960 0.072 -0.225 0.224 36 G C -0.740 174.210 174.900 0.083 0.000 0.990 36 G CA -0.460 44.689 45.100 0.082 0.000 0.639 36 G HN -0.388 7.801 8.290 0.123 0.174 0.514 37 A N 2.169 125.053 122.820 0.108 0.000 2.445 37 A HA 0.139 4.744 4.320 0.046 -0.257 0.242 37 A C -0.370 177.267 177.584 0.087 0.000 1.075 37 A CA -0.175 51.908 52.037 0.076 0.000 0.777 37 A CB 0.739 19.782 19.000 0.072 0.000 1.013 37 A HN -0.483 7.756 8.150 0.148 0.000 0.493 38 T N 4.760 119.359 114.554 0.075 0.000 2.723 38 T HA 0.157 4.576 4.350 0.115 0.000 0.297 38 T C -1.228 173.523 174.700 0.085 0.000 0.925 38 T CA 0.643 62.805 62.100 0.104 0.000 1.030 38 T CB 0.045 68.996 68.868 0.139 0.000 0.905 38 T HN -0.018 8.256 8.240 0.057 0.000 0.502 39 V N 2.902 122.880 119.914 0.107 0.000 2.547 39 V HA 0.926 5.295 4.120 0.065 -0.210 0.299 39 V C -1.872 174.272 176.094 0.082 0.000 1.040 39 V CA -3.027 59.330 62.300 0.095 0.000 0.913 39 V CB 2.200 34.108 31.823 0.142 0.000 0.992 39 V HN 0.227 8.492 8.190 0.125 0.000 0.449 40 I N 2.512 123.101 120.570 0.030 0.000 2.389 40 I HA 0.351 4.757 4.170 0.128 -0.159 0.288 40 I C -1.070 175.123 176.117 0.126 0.000 0.999 40 I CA -1.625 59.712 61.300 0.061 0.000 1.129 40 I CB 2.280 40.219 38.000 -0.102 0.000 1.288 40 I HN 0.069 8.283 8.210 0.007 0.000 0.444 41 L N 6.460 127.809 121.223 0.210 0.000 2.275 41 L HA 0.398 4.822 4.340 0.141 0.000 0.288 41 L C -1.539 175.476 176.870 0.243 0.000 1.046 41 L CA -0.836 54.121 54.840 0.196 0.000 0.805 41 L CB 0.999 43.178 42.059 0.201 0.000 1.193 41 L HN 0.240 8.623 8.230 0.255 0.000 0.426 42 L N 2.955 124.280 121.223 0.170 0.000 2.346 42 L HA 0.993 5.693 4.340 0.238 -0.217 0.276 42 L C -0.792 176.153 176.870 0.126 0.000 1.006 42 L CA -1.495 53.450 54.840 0.174 0.000 0.817 42 L CB 3.643 45.775 42.059 0.122 0.000 1.272 42 L HN 0.151 8.456 8.230 0.126 0.000 0.421 43 G N 0.589 109.466 108.800 0.128 0.000 2.550 43 G HA2 0.444 4.451 3.960 0.079 0.000 0.293 43 G HA3 0.444 4.440 3.960 0.062 0.000 0.293 43 G C -1.339 173.611 174.900 0.083 0.000 1.402 43 G CA 0.632 45.782 45.100 0.084 0.000 0.784 43 G HN -0.301 8.084 8.290 0.158 0.000 0.482 44 R N -2.179 118.356 120.500 0.058 0.000 2.254 44 R HA 0.002 4.382 4.340 0.068 0.000 0.195 44 R C -0.577 175.745 176.300 0.036 0.000 0.957 44 R CA 1.168 57.300 56.100 0.054 0.000 1.024 44 R CB 0.651 30.979 30.300 0.047 0.000 0.952 44 R HN 0.410 8.708 8.270 0.048 0.000 0.484 45 N N 1.298 120.005 118.700 0.012 0.000 2.501 45 N HA 0.106 4.842 4.740 -0.006 0.000 0.245 45 N C -0.509 174.966 175.510 -0.058 0.000 0.974 45 N CA -1.399 51.641 53.050 -0.018 0.000 0.941 45 N CB 0.244 38.712 38.487 -0.032 0.000 1.122 45 N HN -0.354 8.031 8.380 0.008 0.000 0.507 46 E N 7.178 127.354 120.200 -0.040 0.000 2.077 46 E HA -0.442 3.860 4.350 -0.080 0.000 0.193 46 E C 0.957 177.430 176.600 -0.212 0.000 0.989 46 E CA 3.725 60.079 56.400 -0.076 0.000 0.800 46 E CB 0.241 29.955 29.700 0.023 0.000 0.746 46 E HN 0.681 9.034 8.360 -0.011 0.000 0.452 47 E N -1.852 118.257 120.200 -0.151 0.000 2.107 47 E HA -0.249 3.976 4.350 -0.208 0.000 0.191 47 E C 2.356 178.811 176.600 -0.243 0.000 0.982 47 E CA 2.706 58.997 56.400 -0.182 0.000 0.809 47 E CB -0.416 29.219 29.700 -0.108 0.000 0.756 47 E HN -0.367 8.061 8.360 -0.101 -0.129 0.459 48 K N -0.091 120.188 120.400 -0.200 0.000 2.097 48 K HA -0.268 3.934 4.320 -0.198 0.000 0.205 48 K C 2.462 178.886 176.600 -0.294 0.000 1.050 48 K CA 2.956 59.121 56.287 -0.203 0.000 0.938 48 K CB -0.016 32.409 32.500 -0.125 0.000 0.718 48 K HN -0.796 7.604 8.250 -0.157 -0.245 0.442 49 L N -1.301 119.704 121.223 -0.363 0.000 2.046 49 L HA -0.412 3.730 4.340 -0.329 0.000 0.208 49 L C 1.806 178.144 176.870 -0.886 0.000 1.077 49 L CA 3.288 57.823 54.840 -0.508 0.000 0.747 49 L CB -0.489 41.271 42.059 -0.498 0.000 0.896 49 L HN -0.200 7.838 8.230 -0.320 0.000 0.432 50 R N -1.384 118.443 120.500 -1.122 0.000 2.096 50 R HA -0.501 2.667 4.340 -1.953 0.000 0.235 50 R C 2.178 178.099 176.300 -0.631 0.000 1.127 50 R CA 3.725 59.105 56.100 -1.201 0.000 0.968 50 R CB -0.000 29.846 30.300 -0.756 0.000 0.861 50 R HN -0.169 7.540 8.270 -0.934 0.000 0.440 51 Q N -0.987 118.521 119.800 -0.488 0.000 2.046 51 Q HA -0.248 3.823 4.340 -0.449 0.000 0.200 51 Q C 2.310 177.965 176.000 -0.575 0.000 0.975 51 Q CA 3.050 58.565 55.803 -0.481 0.000 0.836 51 Q CB -0.442 28.055 28.738 -0.401 0.000 0.896 51 Q HN -0.471 7.523 8.270 -0.461 0.000 0.428 52 V N 1.867 121.541 119.914 -0.400 0.000 2.343 52 V HA -0.464 3.522 4.120 -0.223 0.000 0.247 52 V C 2.062 178.071 176.094 -0.141 0.000 1.051 52 V CA 3.651 65.810 62.300 -0.235 0.000 1.036 52 V CB -0.297 31.445 31.823 -0.134 0.000 0.654 52 V HN -0.207 7.762 8.190 -0.368 0.000 0.451 53 A N -1.087 121.634 122.820 -0.164 0.000 1.940 53 A HA -0.428 3.940 4.320 0.079 0.000 0.219 53 A C 1.713 179.310 177.584 0.022 0.000 1.176 53 A CA 3.379 55.422 52.037 0.009 0.000 0.631 53 A CB -0.998 18.092 19.000 0.150 0.000 0.814 53 A HN 0.058 8.038 8.150 -0.283 0.000 0.446 54 S N -0.934 114.719 115.700 -0.077 0.000 2.368 54 S HA -0.322 4.172 4.470 0.039 0.000 0.225 54 S C 1.957 176.609 174.600 0.086 0.000 1.030 54 S CA 3.107 61.300 58.200 -0.012 0.000 0.999 54 S CB -0.365 62.788 63.200 -0.078 0.000 0.844 54 S HN -0.418 7.778 8.310 -0.190 0.000 0.459 55 H N 1.742 120.802 119.070 -0.017 0.000 2.353 55 H HA -0.276 4.273 4.556 -0.011 0.000 0.300 55 H C 2.818 178.148 175.328 0.004 0.000 1.090 55 H CA 2.609 58.650 56.048 -0.012 0.000 1.327 55 H CB 0.241 29.989 29.762 -0.024 0.000 1.383 55 H HN -0.485 7.737 8.280 -0.096 0.000 0.508 56 I N -1.010 119.646 120.570 0.143 0.000 2.226 56 I HA -0.514 3.710 4.170 0.090 0.000 0.245 56 I C 1.782 177.950 176.117 0.085 0.000 1.100 56 I CA 4.126 65.485 61.300 0.099 0.000 1.374 56 I CB -0.052 38.004 38.000 0.094 0.000 1.057 56 I HN -0.075 8.209 8.210 0.123 0.000 0.413 57 N N 0.192 118.946 118.700 0.089 0.000 2.149 57 N HA -0.330 4.610 4.740 0.071 -0.157 0.188 57 N C 2.208 177.753 175.510 0.059 0.000 1.019 57 N CA 3.096 56.191 53.050 0.075 0.000 0.857 57 N CB 0.006 38.541 38.487 0.079 0.000 0.997 57 N HN -0.192 8.245 8.380 0.095 0.000 0.426 58 E N -0.724 119.515 120.200 0.066 0.000 2.153 58 E HA -0.244 4.128 4.350 0.037 0.000 0.194 58 E C 1.939 178.553 176.600 0.024 0.000 0.988 58 E CA 2.554 58.980 56.400 0.044 0.000 0.811 58 E CB -0.101 29.627 29.700 0.046 0.000 0.746 58 E HN -0.382 7.946 8.360 0.085 0.083 0.466 59 E N -4.393 115.824 120.200 0.028 0.000 2.385 59 E HA -0.010 4.338 4.350 -0.002 0.000 0.194 59 E C 1.020 177.626 176.600 0.010 0.000 1.013 59 E CA 1.490 57.896 56.400 0.010 0.000 0.866 59 E CB 0.812 30.518 29.700 0.010 0.000 0.832 59 E HN -0.567 7.704 8.360 0.043 0.115 0.500 60 T N -7.408 107.160 114.554 0.024 0.000 2.992 60 T HA 0.272 4.628 4.350 0.010 0.000 0.255 60 T C 1.142 175.856 174.700 0.024 0.000 0.938 60 T CA -0.700 61.414 62.100 0.022 0.000 0.895 60 T CB 2.588 71.480 68.868 0.039 0.000 1.221 60 T HN -0.546 7.714 8.240 0.033 0.000 0.512 61 G N 3.411 112.228 108.800 0.029 0.000 2.184 61 G HA2 -0.390 3.629 3.960 0.027 0.000 0.264 61 G HA3 -0.390 3.582 3.960 0.020 0.000 0.264 61 G C -0.997 173.923 174.900 0.034 0.000 0.975 61 G CA 0.352 45.468 45.100 0.027 0.000 0.642 61 G HN 0.023 8.332 8.290 0.032 0.000 0.536 62 R N 1.026 121.553 120.500 0.045 0.000 2.393 62 R HA 0.246 4.614 4.340 0.047 0.000 0.315 62 R C -1.805 174.539 176.300 0.073 0.000 0.952 62 R CA -1.065 55.068 56.100 0.055 0.000 0.842 62 R CB 2.013 32.348 30.300 0.058 0.000 1.163 62 R HN -0.522 7.710 8.270 0.048 0.066 0.450 63 Q N 7.367 127.212 119.800 0.075 0.000 2.314 63 Q HA 0.270 4.678 4.340 0.113 0.000 0.257 63 Q C -1.796 174.278 176.000 0.123 0.000 0.975 63 Q CA -2.149 53.715 55.803 0.100 0.000 0.933 63 Q CB 0.348 29.136 28.738 0.083 0.000 1.195 63 Q HN 0.313 8.619 8.270 0.061 0.000 0.426 64 P HA 0.035 4.561 4.420 0.177 0.000 0.275 64 P C -1.083 176.337 177.300 0.200 0.000 1.228 64 P CA -0.566 62.648 63.100 0.190 0.000 0.786 64 P CB 1.320 33.141 31.700 0.200 0.000 0.927 65 Q N 1.394 121.275 119.800 0.135 0.000 2.260 65 Q HA 0.178 4.313 4.340 -0.343 0.000 0.242 65 Q C -0.731 175.282 176.000 0.022 0.000 0.932 65 Q CA -0.301 55.440 55.803 -0.104 0.000 0.891 65 Q CB 2.153 30.834 28.738 -0.094 0.000 1.222 65 Q HN 0.342 8.728 8.270 0.194 0.000 0.453 66 W N -1.775 119.369 121.300 -0.259 0.000 2.882 66 W HA 0.885 5.713 4.660 -0.020 -0.180 0.345 66 W C -1.619 174.613 176.519 -0.480 0.000 1.125 66 W CA -2.070 55.162 57.345 -0.189 0.000 1.167 66 W CB 3.042 32.447 29.460 -0.092 0.000 1.431 66 W HN -0.150 7.418 8.180 -1.020 0.000 0.543 67 F N -1.459 118.624 119.950 0.221 0.000 2.588 67 F HA 0.235 4.817 4.527 0.091 0.000 0.310 67 F C -1.108 174.789 175.800 0.161 0.000 1.082 67 F CA -1.614 56.461 58.000 0.125 0.000 0.929 67 F CB 4.188 43.218 39.000 0.050 0.000 1.254 67 F HN 0.242 8.812 8.300 0.450 0.000 0.455 68 I N 1.631 122.382 120.570 0.301 0.000 2.342 68 I HA 0.614 5.123 4.170 0.194 -0.223 0.291 68 I C -1.146 175.070 176.117 0.165 0.000 1.010 68 I CA -0.732 60.691 61.300 0.205 0.000 1.308 68 I CB 0.390 38.485 38.000 0.159 0.000 1.400 68 I HN 0.207 8.588 8.210 0.286 0.000 0.488 69 L N 6.291 127.593 121.223 0.131 0.000 2.543 69 L HA 0.322 4.715 4.340 0.088 0.000 0.265 69 L C -2.539 174.380 176.870 0.083 0.000 0.945 69 L CA -0.182 54.717 54.840 0.097 0.000 0.869 69 L CB 4.507 46.618 42.059 0.087 0.000 1.294 69 L HN 0.110 8.417 8.230 0.129 0.000 0.405 70 D N 5.643 126.085 120.400 0.069 0.000 2.392 70 D HA 0.191 4.870 4.640 0.065 0.000 0.228 70 D C -0.044 176.292 176.300 0.060 0.000 1.074 70 D CA -1.503 52.535 54.000 0.063 0.000 0.838 70 D CB 0.973 41.806 40.800 0.055 0.000 1.067 70 D HN 0.222 8.631 8.370 0.066 0.000 0.511 71 L N 5.111 126.373 121.223 0.065 0.000 2.362 71 L HA -0.138 4.238 4.340 0.060 0.000 0.219 71 L C 1.898 178.803 176.870 0.058 0.000 1.134 71 L CA 1.763 56.642 54.840 0.064 0.000 0.807 71 L CB -0.125 41.978 42.059 0.074 0.000 0.927 71 L HN 0.674 8.946 8.230 0.070 0.000 0.447 72 L N -2.584 118.673 121.223 0.056 0.000 2.141 72 L HA -0.157 4.216 4.340 0.054 0.000 0.209 72 L C 0.692 177.592 176.870 0.050 0.000 1.094 72 L CA 2.498 57.369 54.840 0.053 0.000 0.763 72 L CB 0.181 42.269 42.059 0.049 0.000 0.908 72 L HN -0.365 8.145 8.230 0.056 -0.246 0.437 73 T N -7.028 107.554 114.554 0.048 0.000 2.955 73 T HA 0.036 4.413 4.350 0.044 0.000 0.251 73 T C 0.493 175.218 174.700 0.042 0.000 1.002 73 T CA -0.570 61.557 62.100 0.044 0.000 0.970 73 T CB 1.260 70.153 68.868 0.041 0.000 1.091 73 T HN -0.730 7.515 8.240 0.049 0.024 0.495 74 C N 3.002 122.328 119.300 0.043 0.000 2.679 74 C HA 0.063 4.702 4.460 0.036 -0.157 0.417 74 C C 0.222 175.231 174.990 0.032 0.000 1.302 74 C CA -0.837 58.203 59.018 0.036 0.000 1.973 74 C CB 1.905 29.667 27.740 0.036 0.000 2.715 74 C HN -0.294 7.963 8.230 0.046 0.000 0.628 75 T N -1.995 112.575 114.554 0.026 0.000 2.897 75 T HA 0.186 4.554 4.350 0.029 0.000 0.278 75 T C 1.015 175.718 174.700 0.005 0.000 0.981 75 T CA -1.852 60.261 62.100 0.022 0.000 0.973 75 T CB 2.714 71.596 68.868 0.023 0.000 1.092 75 T HN -0.012 8.555 8.240 0.025 -0.312 0.543 76 S N 0.902 116.602 115.700 0.000 0.000 2.370 76 S HA -0.404 4.032 4.470 -0.058 0.000 0.226 76 S C 1.695 176.280 174.600 -0.024 0.000 1.033 76 S CA 3.547 61.729 58.200 -0.030 0.000 1.011 76 S CB -0.433 62.753 63.200 -0.023 0.000 0.852 76 S HN 0.597 8.915 8.310 0.013 0.000 0.457 77 E N 1.757 121.953 120.200 -0.006 0.000 2.110 77 E HA -0.268 4.076 4.350 -0.009 0.000 0.193 77 E C 2.057 178.654 176.600 -0.005 0.000 0.988 77 E CA 2.585 58.983 56.400 -0.004 0.000 0.804 77 E CB -0.644 29.059 29.700 0.006 0.000 0.745 77 E HN 0.260 8.622 8.360 0.003 0.000 0.458 78 N N 0.057 118.758 118.700 0.002 0.000 2.104 78 N HA -0.315 4.432 4.740 0.011 0.000 0.190 78 N C 2.401 177.907 175.510 -0.007 0.000 1.024 78 N CA 3.145 56.200 53.050 0.007 0.000 0.853 78 N CB -0.023 38.475 38.487 0.018 0.000 1.008 78 N HN -0.445 7.938 8.380 0.005 0.000 0.424 79 C N -0.256 119.031 119.300 -0.021 0.000 2.446 79 C HA -0.427 4.012 4.460 -0.036 0.000 0.277 79 C C 1.842 176.799 174.990 -0.055 0.000 1.275 79 C CA 4.799 63.792 59.018 -0.042 0.000 1.727 79 C CB -0.294 27.410 27.740 -0.061 0.000 2.010 79 C HN -0.419 7.714 8.230 -0.022 0.083 0.486 80 Q N -0.981 118.791 119.800 -0.048 0.000 2.084 80 Q HA -0.375 3.933 4.340 -0.055 0.000 0.202 80 Q C 2.753 178.728 176.000 -0.041 0.000 0.978 80 Q CA 2.917 58.693 55.803 -0.045 0.000 0.844 80 Q CB -0.810 27.909 28.738 -0.032 0.000 0.898 80 Q HN -0.024 8.221 8.270 -0.042 0.000 0.426 81 Q N -1.081 118.703 119.800 -0.027 0.000 2.124 81 Q HA -0.284 4.045 4.340 -0.017 0.000 0.202 81 Q C 2.705 178.683 176.000 -0.037 0.000 0.977 81 Q CA 2.911 58.703 55.803 -0.019 0.000 0.850 81 Q CB -0.059 28.680 28.738 0.001 0.000 0.901 81 Q HN -0.118 8.140 8.270 -0.021 0.000 0.429 82 L N -0.216 120.974 121.223 -0.054 0.000 2.017 82 L HA -0.342 3.937 4.340 -0.102 0.000 0.208 82 L C 1.225 177.974 176.870 -0.202 0.000 1.073 82 L CA 3.089 57.858 54.840 -0.118 0.000 0.745 82 L CB -0.567 41.430 42.059 -0.104 0.000 0.894 82 L HN -0.409 7.795 8.230 -0.043 0.000 0.432 83 A N -2.345 120.386 122.820 -0.147 0.000 1.933 83 A HA -0.417 3.787 4.320 -0.193 0.000 0.218 83 A C 2.011 179.526 177.584 -0.113 0.000 1.175 83 A CA 3.098 55.047 52.037 -0.147 0.000 0.628 83 A CB -0.945 17.992 19.000 -0.105 0.000 0.814 83 A HN -0.213 7.869 8.150 -0.113 0.000 0.444 84 Q N -1.231 118.523 119.800 -0.077 0.000 2.084 84 Q HA -0.367 3.951 4.340 -0.038 0.000 0.202 84 Q C 2.508 178.485 176.000 -0.038 0.000 0.978 84 Q CA 3.249 59.025 55.803 -0.045 0.000 0.844 84 Q CB -0.028 28.695 28.738 -0.025 0.000 0.898 84 Q HN -0.248 7.980 8.270 -0.070 0.000 0.426 85 R N -1.408 119.061 120.500 -0.052 0.000 2.096 85 R HA -0.298 4.065 4.340 0.038 0.000 0.235 85 R C 2.992 179.280 176.300 -0.021 0.000 1.127 85 R CA 3.385 59.484 56.100 -0.002 0.000 0.968 85 R CB -0.083 30.253 30.300 0.060 0.000 0.861 85 R HN -0.555 7.675 8.270 -0.068 0.000 0.440 86 I N -0.655 119.789 120.570 -0.211 0.000 2.226 86 I HA -0.472 3.676 4.170 -0.038 0.000 0.245 86 I C 1.353 177.524 176.117 0.090 0.000 1.100 86 I CA 3.521 64.739 61.300 -0.136 0.000 1.374 86 I CB -0.100 37.691 38.000 -0.347 0.000 1.057 86 I HN -0.142 7.889 8.210 -0.298 0.000 0.413 87 A N -1.427 121.398 122.820 0.009 0.000 2.067 87 A HA -0.118 4.393 4.320 0.054 -0.159 0.219 87 A C 1.307 178.912 177.584 0.035 0.000 1.158 87 A CA 2.337 54.392 52.037 0.030 0.000 0.661 87 A CB -0.519 18.478 19.000 -0.005 0.000 0.801 87 A HN -0.466 7.660 8.150 -0.039 0.000 0.452 88 V N -2.838 117.095 119.914 0.033 0.000 2.427 88 V HA -0.375 3.746 4.120 0.003 0.000 0.248 88 V C 1.338 177.425 176.094 -0.013 0.000 1.051 88 V CA 2.478 64.786 62.300 0.013 0.000 1.048 88 V CB 0.025 31.859 31.823 0.018 0.000 0.666 88 V HN -0.479 7.706 8.190 0.035 0.026 0.456 89 N N -2.310 116.391 118.700 0.002 0.000 2.356 89 N HA 0.019 4.638 4.740 -0.203 0.000 0.178 89 N C -0.779 174.454 175.510 -0.461 0.000 1.075 89 N CA 1.080 54.009 53.050 -0.201 0.000 0.889 89 N CB 1.334 39.712 38.487 -0.182 0.000 0.999 89 N HN -0.731 7.584 8.380 0.086 0.117 0.464 90 Y N -1.446 118.855 120.300 0.001 0.000 2.457 90 Y HA 0.393 4.941 4.550 -0.003 0.000 0.343 90 Y C -2.232 173.655 175.900 -0.022 0.000 0.994 90 Y CA -2.740 55.355 58.100 -0.008 0.000 1.031 90 Y CB 1.783 40.237 38.460 -0.010 0.000 1.246 90 Y HN -0.406 7.969 8.280 0.158 0.000 0.449 91 P HA 0.070 4.512 4.420 0.036 0.000 0.240 91 P C -1.877 175.448 177.300 0.041 0.000 1.190 91 P CA 0.206 63.337 63.100 0.052 0.000 0.781 91 P CB 0.438 32.155 31.700 0.028 0.000 0.931 92 R N -7.475 113.057 120.500 0.054 0.000 2.774 92 R HA 0.122 4.457 4.340 -0.009 0.000 0.279 92 R C -2.801 173.487 176.300 -0.021 0.000 1.022 92 R CA -1.201 54.901 56.100 0.004 0.000 0.855 92 R CB 1.879 32.174 30.300 -0.007 0.000 1.279 92 R HN -0.851 7.431 8.270 0.098 0.047 0.485 93 L N -1.042 120.140 121.223 -0.068 0.000 2.349 93 L HA 0.418 4.690 4.340 -0.114 0.000 0.278 93 L C -0.910 175.895 176.870 -0.108 0.000 0.996 93 L CA -1.105 53.669 54.840 -0.110 0.000 0.825 93 L CB 3.192 45.162 42.059 -0.148 0.000 1.243 93 L HN 0.084 8.161 8.230 -0.070 0.111 0.412 94 D N 2.246 122.581 120.400 -0.107 0.000 2.289 94 D HA 0.010 4.587 4.640 -0.106 0.000 0.207 94 D C 0.142 176.350 176.300 -0.154 0.000 0.966 94 D CA 2.049 55.978 54.000 -0.117 0.000 0.868 94 D CB 1.288 42.025 40.800 -0.104 0.000 0.943 94 D HN 0.203 8.512 8.370 -0.101 0.000 0.514 95 G N -3.712 104.984 108.800 -0.173 0.000 2.733 95 G HA2 0.631 4.703 3.960 -0.197 0.000 0.297 95 G HA3 0.631 4.457 3.960 -0.222 0.000 0.297 95 G C -3.318 171.461 174.900 -0.202 0.000 1.422 95 G CA 0.121 45.102 45.100 -0.199 0.000 0.942 95 G HN -0.634 7.556 8.290 -0.166 0.000 0.510 96 V N 2.339 122.114 119.914 -0.233 0.000 2.482 96 V HA 0.499 4.638 4.120 -0.260 -0.175 0.295 96 V C -2.573 173.328 176.094 -0.322 0.000 1.026 96 V CA -1.163 60.955 62.300 -0.303 0.000 0.856 96 V CB 3.705 35.291 31.823 -0.395 0.000 1.001 96 V HN 0.377 8.425 8.190 -0.236 0.000 0.424 97 L N 7.943 129.036 121.223 -0.217 0.000 2.294 97 L HA 0.499 4.905 4.340 -0.108 -0.131 0.283 97 L C -2.268 174.522 176.870 -0.134 0.000 1.015 97 L CA -1.727 53.059 54.840 -0.090 0.000 0.831 97 L CB 1.994 44.152 42.059 0.166 0.000 1.217 97 L HN 0.639 8.771 8.230 -0.163 0.000 0.420 98 H N 7.709 126.748 119.070 -0.051 0.000 2.911 98 H HA 0.347 4.914 4.556 0.018 0.000 0.273 98 H C -0.549 174.837 175.328 0.096 0.000 1.157 98 H CA 0.331 56.383 56.048 0.008 0.000 1.402 98 H CB -0.374 29.379 29.762 -0.015 0.000 1.463 98 H HN 0.522 8.739 8.280 -0.106 0.000 0.475 99 N N 5.825 124.651 118.700 0.209 0.000 2.348 99 N HA 0.109 4.983 4.740 0.224 0.000 0.183 99 N C -0.374 175.241 175.510 0.174 0.000 1.094 99 N CA 0.056 53.222 53.050 0.193 0.000 0.885 99 N CB 1.476 40.048 38.487 0.142 0.000 1.065 99 N HN -0.288 8.195 8.380 0.172 0.000 0.472 100 A N 0.141 123.061 122.820 0.166 0.000 2.531 100 A HA -0.108 4.285 4.320 0.122 0.000 0.236 100 A C -0.506 177.170 177.584 0.152 0.000 1.062 100 A CA 1.359 53.481 52.037 0.142 0.000 0.760 100 A CB 0.252 19.332 19.000 0.134 0.000 0.995 100 A HN -0.454 7.802 8.150 0.177 0.000 0.501 101 G N -0.948 107.937 108.800 0.142 0.000 2.523 101 G HA2 0.118 4.314 3.960 0.148 0.000 0.291 101 G HA3 0.118 4.204 3.960 0.210 0.000 0.291 101 G C -2.516 172.477 174.900 0.155 0.000 1.450 101 G CA 0.090 45.291 45.100 0.167 0.000 0.790 101 G HN -0.387 7.978 8.290 0.126 0.000 0.496 102 L N 0.209 121.538 121.223 0.177 0.000 2.385 102 L HA 0.481 4.883 4.340 0.103 0.000 0.273 102 L C -1.009 175.980 176.870 0.199 0.000 0.990 102 L CA -0.800 54.123 54.840 0.138 0.000 0.821 102 L CB 3.073 45.189 42.059 0.096 0.000 1.279 102 L HN -0.001 8.636 8.230 0.197 -0.289 0.412 103 L N 5.335 126.595 121.223 0.061 0.000 2.127 103 L HA 0.014 4.222 4.340 -0.220 0.000 0.203 103 L C -0.076 176.791 176.870 -0.006 0.000 1.080 103 L CA 1.473 56.258 54.840 -0.092 0.000 0.768 103 L CB 0.216 42.151 42.059 -0.207 0.000 0.924 103 L HN 0.257 8.503 8.230 0.026 0.000 0.444 104 G N -4.866 103.931 108.800 -0.006 0.000 2.562 104 G HA2 -0.309 3.653 3.960 0.004 0.000 0.250 104 G HA3 -0.309 3.659 3.960 0.014 0.000 0.250 104 G C -1.341 173.521 174.900 -0.063 0.000 1.269 104 G CA -0.428 44.668 45.100 -0.007 0.000 0.919 104 G HN -0.525 7.764 8.290 -0.003 0.000 0.574 105 D N 1.689 122.062 120.400 -0.045 0.000 2.308 105 D HA 0.056 4.631 4.640 -0.107 0.000 0.251 105 D C -0.427 175.761 176.300 -0.187 0.000 1.127 105 D CA 0.579 54.525 54.000 -0.089 0.000 0.876 105 D CB 0.333 41.118 40.800 -0.025 0.000 1.176 105 D HN 0.076 8.444 8.370 -0.003 0.000 0.446 106 V N 3.665 123.396 119.914 -0.306 0.000 2.277 106 V HA 0.282 4.274 4.120 -0.532 -0.191 0.269 106 V C -0.815 175.075 176.094 -0.340 0.000 1.036 106 V CA -0.561 61.438 62.300 -0.501 0.000 0.821 106 V CB 0.129 31.452 31.823 -0.833 0.000 1.052 106 V HN 0.275 8.297 8.190 -0.281 0.000 0.462 107 C N 3.980 123.140 119.300 -0.234 0.000 3.275 107 C HA 0.412 4.782 4.460 -0.149 0.000 0.340 107 C C -2.761 172.187 174.990 -0.070 0.000 1.366 107 C CA -3.243 55.693 59.018 -0.136 0.000 1.227 107 C CB 1.043 28.728 27.740 -0.092 0.000 1.512 107 C HN 0.198 8.299 8.230 -0.215 0.000 0.461 108 P HA 0.084 4.507 4.420 0.005 0.000 0.270 108 P C 0.492 177.804 177.300 0.020 0.000 1.223 108 P CA -0.132 62.966 63.100 -0.004 0.000 0.785 108 P CB 0.422 32.117 31.700 -0.008 0.000 0.923 109 M N 2.244 121.869 119.600 0.041 0.000 2.144 109 M HA -0.362 4.171 4.480 0.089 0.000 0.260 109 M C 1.895 178.194 176.300 -0.001 0.000 1.067 109 M CA 3.470 58.797 55.300 0.045 0.000 1.095 109 M CB -1.189 31.434 32.600 0.038 0.000 1.365 109 M HN 0.312 8.629 8.290 0.044 0.000 0.406 110 S N -2.206 113.488 115.700 -0.010 0.000 2.442 110 S HA -0.158 4.290 4.470 -0.036 0.000 0.236 110 S C 0.571 175.158 174.600 -0.021 0.000 1.007 110 S CA 2.134 60.320 58.200 -0.023 0.000 0.965 110 S CB -0.378 62.810 63.200 -0.019 0.000 0.773 110 S HN 0.181 8.478 8.310 -0.004 0.010 0.504 111 E N -1.710 118.484 120.200 -0.010 0.000 2.489 111 E HA 0.157 4.499 4.350 -0.013 0.000 0.204 111 E C -0.416 176.187 176.600 0.005 0.000 1.006 111 E CA -0.915 55.480 56.400 -0.009 0.000 0.936 111 E CB 0.366 30.056 29.700 -0.016 0.000 1.002 111 E HN -0.415 7.780 8.360 -0.004 0.162 0.488 112 Q N -0.381 119.436 119.800 0.029 0.000 2.286 112 Q HA -0.248 4.139 4.340 0.078 0.000 0.290 112 Q C 0.103 176.141 176.000 0.063 0.000 1.049 112 Q CA 0.625 56.477 55.803 0.082 0.000 0.923 112 Q CB 0.102 28.953 28.738 0.188 0.000 1.183 112 Q HN -0.735 7.551 8.270 0.028 0.000 0.383 113 N N 6.178 124.925 118.700 0.078 0.000 2.442 113 N HA 0.217 4.979 4.740 0.036 0.000 0.265 113 N C -0.869 174.705 175.510 0.106 0.000 1.138 113 N CA -1.645 51.444 53.050 0.064 0.000 0.956 113 N CB 1.899 40.417 38.487 0.053 0.000 1.067 113 N HN 0.147 8.920 8.380 0.082 -0.344 0.474 114 P HA -0.121 4.333 4.420 0.056 0.000 0.221 114 P C 1.307 178.682 177.300 0.125 0.000 1.150 114 P CA 2.099 65.232 63.100 0.055 0.000 0.800 114 P CB 0.562 32.243 31.700 -0.032 0.000 0.787 115 Q N -2.783 117.074 119.800 0.095 0.000 2.123 115 Q HA -0.242 4.157 4.340 0.098 0.000 0.199 115 Q C 2.347 178.421 176.000 0.122 0.000 0.966 115 Q CA 3.307 59.168 55.803 0.096 0.000 0.845 115 Q CB -0.537 28.238 28.738 0.061 0.000 0.907 115 Q HN -0.195 8.319 8.270 0.071 -0.201 0.439 116 V N 0.919 120.906 119.914 0.123 0.000 2.343 116 V HA -0.469 3.704 4.120 0.088 0.000 0.247 116 V C 1.249 177.440 176.094 0.163 0.000 1.051 116 V CA 3.938 66.308 62.300 0.116 0.000 1.036 116 V CB -0.252 31.624 31.823 0.088 0.000 0.654 116 V HN -0.612 7.897 8.190 0.111 -0.252 0.451 117 W N -0.415 120.901 121.300 0.026 0.000 2.317 117 W HA -0.508 4.180 4.660 0.046 0.000 0.318 117 W C 1.396 177.937 176.519 0.037 0.000 1.227 117 W CA 4.086 61.452 57.345 0.034 0.000 1.269 117 W CB -0.263 29.210 29.460 0.022 0.000 1.155 117 W HN -0.119 8.279 8.180 0.364 0.000 0.484 118 Q N -3.364 116.670 119.800 0.390 0.000 2.135 118 Q HA -0.447 4.084 4.340 0.318 0.000 0.204 118 Q C 2.494 178.566 176.000 0.120 0.000 0.981 118 Q CA 3.591 59.549 55.803 0.257 0.000 0.856 118 Q CB -0.390 28.465 28.738 0.196 0.000 0.902 118 Q HN -0.570 7.931 8.270 0.385 0.000 0.425 119 D N 0.184 120.643 120.400 0.097 0.000 2.117 119 D HA -0.196 4.482 4.640 0.064 0.000 0.198 119 D C 2.585 178.906 176.300 0.036 0.000 0.982 119 D CA 3.191 57.229 54.000 0.063 0.000 0.828 119 D CB -0.432 40.406 40.800 0.062 0.000 0.967 119 D HN -0.547 7.812 8.370 0.115 0.079 0.464 120 V N 1.062 120.979 119.914 0.005 0.000 2.287 120 V HA -0.579 3.555 4.120 0.024 0.000 0.248 120 V C 1.846 177.901 176.094 -0.066 0.000 1.053 120 V CA 4.481 66.765 62.300 -0.026 0.000 1.027 120 V CB -0.056 31.720 31.823 -0.079 0.000 0.646 120 V HN -0.035 8.159 8.190 0.007 0.000 0.447 121 M N -2.515 117.015 119.600 -0.115 0.000 2.175 121 M HA -0.338 4.071 4.480 -0.117 0.000 0.264 121 M C 2.227 178.525 176.300 -0.004 0.000 1.063 121 M CA 1.782 57.031 55.300 -0.084 0.000 1.119 121 M CB -1.554 31.012 32.600 -0.058 0.000 1.377 121 M HN -0.434 7.772 8.290 -0.140 0.000 0.415 122 Q N 0.165 119.981 119.800 0.028 0.000 2.046 122 Q HA -0.217 4.158 4.340 0.059 0.000 0.200 122 Q C 2.410 178.440 176.000 0.050 0.000 0.975 122 Q CA 3.026 58.859 55.803 0.051 0.000 0.836 122 Q CB -0.569 28.204 28.738 0.060 0.000 0.896 122 Q HN -0.220 7.983 8.270 0.031 0.086 0.428 123 V N -0.190 119.751 119.914 0.045 0.000 2.283 123 V HA -0.465 3.690 4.120 0.059 0.000 0.243 123 V C 2.100 178.222 176.094 0.047 0.000 1.039 123 V CA 4.084 66.416 62.300 0.054 0.000 1.016 123 V CB -0.128 31.733 31.823 0.064 0.000 0.650 123 V HN -0.010 8.205 8.190 0.041 0.000 0.449 124 N N -2.922 115.795 118.700 0.028 0.000 2.331 124 N HA -0.147 4.614 4.740 0.034 0.000 0.180 124 N C 1.274 176.775 175.510 -0.015 0.000 1.019 124 N CA 2.394 55.449 53.050 0.008 0.000 0.881 124 N CB 0.287 38.753 38.487 -0.035 0.000 0.972 124 N HN -0.243 8.148 8.380 0.018 0.000 0.435 125 V N -1.804 118.104 119.914 -0.010 0.000 2.939 125 V HA -0.069 4.031 4.120 -0.033 0.000 0.228 125 V C 0.630 176.768 176.094 0.072 0.000 1.162 125 V CA 2.116 64.411 62.300 -0.008 0.000 1.222 125 V CB 1.177 32.978 31.823 -0.036 0.000 1.053 125 V HN -0.327 7.862 8.190 -0.002 0.000 0.504 126 N N 0.622 119.376 118.700 0.090 0.000 2.106 126 N HA -0.376 4.510 4.740 0.243 0.000 0.188 126 N C 2.037 177.663 175.510 0.195 0.000 1.029 126 N CA 3.802 56.959 53.050 0.178 0.000 0.848 126 N CB -0.054 38.513 38.487 0.134 0.000 1.007 126 N HN -0.481 7.937 8.380 0.063 0.000 0.423 127 A N -0.566 122.316 122.820 0.104 0.000 1.968 127 A HA -0.181 4.170 4.320 0.050 0.000 0.217 127 A C 1.636 179.244 177.584 0.039 0.000 1.169 127 A CA 3.088 55.162 52.037 0.063 0.000 0.638 127 A CB -0.580 18.454 19.000 0.057 0.000 0.812 127 A HN 0.378 8.580 8.150 0.087 0.000 0.446 128 T N 2.911 117.489 114.554 0.039 0.000 2.746 128 T HA -0.423 3.873 4.350 -0.090 0.000 0.267 128 T C 1.642 176.346 174.700 0.007 0.000 1.039 128 T CA 4.886 66.956 62.100 -0.050 0.000 1.142 128 T CB -0.128 68.696 68.868 -0.074 0.000 0.866 128 T HN -0.655 7.615 8.240 0.051 0.000 0.444 129 F N 3.367 123.309 119.950 -0.013 0.000 2.069 129 F HA -0.368 4.193 4.527 0.056 0.000 0.298 129 F C 0.919 176.750 175.800 0.052 0.000 1.113 129 F CA 3.661 61.677 58.000 0.027 0.000 1.214 129 F CB 0.150 39.151 39.000 0.002 0.000 0.978 129 F HN -0.046 8.399 8.300 0.241 0.000 0.474 130 M N -1.291 117.979 119.600 -0.550 0.000 2.159 130 M HA -0.446 3.365 4.480 -1.115 0.000 0.263 130 M C 2.191 178.296 176.300 -0.325 0.000 1.063 130 M CA 3.882 58.798 55.300 -0.641 0.000 1.110 130 M CB -0.048 32.391 32.600 -0.268 0.000 1.374 130 M HN -0.361 7.816 8.290 -0.188 0.000 0.411 131 L N 0.044 121.186 121.223 -0.134 0.000 2.056 131 L HA -0.314 3.994 4.340 -0.054 0.000 0.207 131 L C 1.436 178.307 176.870 0.002 0.000 1.078 131 L CA 3.392 58.216 54.840 -0.026 0.000 0.749 131 L CB -0.465 41.648 42.059 0.090 0.000 0.901 131 L HN 0.046 8.220 8.230 -0.092 0.000 0.433 132 T N 1.402 115.994 114.554 0.064 0.000 2.635 132 T HA -0.576 3.862 4.350 0.147 0.000 0.267 132 T C 1.749 176.442 174.700 -0.012 0.000 1.040 132 T CA 5.226 67.393 62.100 0.111 0.000 1.156 132 T CB -0.247 68.774 68.868 0.255 0.000 0.863 132 T HN -0.468 7.811 8.240 0.064 0.000 0.430 133 Q N 1.038 120.761 119.800 -0.128 0.000 2.061 133 Q HA -0.449 3.878 4.340 -0.022 0.000 0.204 133 Q C 2.727 178.672 176.000 -0.091 0.000 0.984 133 Q CA 3.174 58.901 55.803 -0.125 0.000 0.846 133 Q CB -0.111 28.432 28.738 -0.324 0.000 0.902 133 Q HN -0.190 7.930 8.270 -0.250 0.000 0.421 134 A N -2.331 120.420 122.820 -0.117 0.000 1.972 134 A HA -0.126 4.149 4.320 -0.076 0.000 0.219 134 A C 1.001 178.539 177.584 -0.077 0.000 1.169 134 A CA 2.391 54.376 52.037 -0.087 0.000 0.635 134 A CB -0.313 18.632 19.000 -0.092 0.000 0.810 134 A HN -0.493 7.569 8.150 -0.148 0.000 0.446 135 L N -3.649 117.526 121.223 -0.080 0.000 2.567 135 L HA 0.044 4.323 4.340 -0.101 0.000 0.225 135 L C 1.364 178.176 176.870 -0.097 0.000 1.119 135 L CA 0.369 55.152 54.840 -0.096 0.000 0.871 135 L CB 0.211 42.201 42.059 -0.115 0.000 1.036 135 L HN -0.724 7.333 8.230 -0.072 0.130 0.459 136 L N 0.978 122.152 121.223 -0.082 0.000 2.012 136 L HA -0.205 4.038 4.340 -0.162 0.000 0.210 136 L C -0.930 175.892 176.870 -0.079 0.000 1.073 136 L CA 4.567 59.343 54.840 -0.107 0.000 0.748 136 L CB -3.393 38.624 42.059 -0.070 0.000 0.891 136 L HN -0.484 7.707 8.230 -0.064 0.000 0.431 137 P HA -0.236 4.179 4.420 -0.008 0.000 0.215 137 P C 2.054 179.329 177.300 -0.041 0.000 1.153 137 P CA 3.114 66.199 63.100 -0.025 0.000 0.853 137 P CB -0.443 31.248 31.700 -0.015 0.000 0.788 138 L N -4.073 117.114 121.223 -0.059 0.000 2.056 138 L HA -0.300 4.013 4.340 -0.045 0.000 0.207 138 L C 2.625 179.449 176.870 -0.077 0.000 1.078 138 L CA 2.701 57.503 54.840 -0.063 0.000 0.749 138 L CB -0.408 41.603 42.059 -0.081 0.000 0.901 138 L HN -0.785 7.405 8.230 -0.066 0.000 0.433 139 L N -0.178 120.982 121.223 -0.104 0.000 2.083 139 L HA -0.250 4.257 4.340 -0.120 -0.240 0.209 139 L C 2.884 179.695 176.870 -0.099 0.000 1.083 139 L CA 2.793 57.559 54.840 -0.123 0.000 0.752 139 L CB 0.001 41.958 42.059 -0.171 0.000 0.899 139 L HN -0.457 7.705 8.230 -0.112 0.000 0.433 140 L N -5.573 115.603 121.223 -0.079 0.000 2.362 140 L HA -0.230 4.087 4.340 -0.039 0.000 0.219 140 L C 0.833 177.689 176.870 -0.023 0.000 1.134 140 L CA 1.582 56.400 54.840 -0.037 0.000 0.807 140 L CB -0.432 41.629 42.059 0.003 0.000 0.927 140 L HN -0.358 7.824 8.230 -0.079 0.000 0.447 141 K N -4.191 116.191 120.400 -0.030 0.000 2.432 141 K HA -0.113 4.199 4.320 -0.013 0.000 0.196 141 K C 0.230 176.815 176.600 -0.025 0.000 1.038 141 K CA 0.346 56.621 56.287 -0.020 0.000 0.986 141 K CB 0.208 32.698 32.500 -0.016 0.000 0.782 141 K HN -0.760 7.322 8.250 -0.038 0.146 0.485 142 S N -0.916 114.760 115.700 -0.040 0.000 2.579 142 S HA -0.148 4.298 4.470 -0.039 0.000 0.275 142 S C 1.602 176.180 174.600 -0.036 0.000 1.345 142 S CA 0.462 58.636 58.200 -0.045 0.000 1.031 142 S CB 0.953 64.112 63.200 -0.067 0.000 0.892 142 S HN -0.683 7.465 8.310 -0.050 0.132 0.529 143 D N 5.020 125.399 120.400 -0.035 0.000 2.218 143 D HA -0.277 4.349 4.640 -0.023 0.000 0.204 143 D C -0.479 175.799 176.300 -0.037 0.000 0.976 143 D CA 1.507 55.489 54.000 -0.031 0.000 0.853 143 D CB -0.231 40.551 40.800 -0.029 0.000 0.939 143 D HN 0.509 8.857 8.370 -0.036 0.000 0.481 144 A N -1.569 121.219 122.820 -0.053 0.000 3.200 144 A HA 0.252 4.541 4.320 -0.051 0.000 0.274 144 A C -1.345 176.187 177.584 -0.086 0.000 1.220 144 A CA -0.035 51.964 52.037 -0.063 0.000 0.904 144 A CB 0.975 19.933 19.000 -0.069 0.000 1.415 144 A HN -0.609 7.477 8.150 -0.060 0.028 0.630 145 G N -0.098 108.650 108.800 -0.087 0.000 2.491 145 G HA2 -0.040 4.017 3.960 -0.119 0.000 0.242 145 G HA3 -0.040 3.850 3.960 -0.118 0.000 0.242 145 G C -2.164 172.660 174.900 -0.127 0.000 1.266 145 G CA -0.126 44.906 45.100 -0.114 0.000 0.844 145 G HN 0.380 8.625 8.290 -0.074 0.000 0.571 146 S N 1.824 117.434 115.700 -0.151 0.000 2.552 146 S HA 0.647 5.200 4.470 -0.135 -0.164 0.314 146 S C -1.908 172.588 174.600 -0.173 0.000 1.099 146 S CA -1.348 56.758 58.200 -0.157 0.000 1.070 146 S CB 1.893 64.983 63.200 -0.184 0.000 0.998 146 S HN 0.029 8.242 8.310 -0.160 0.000 0.474 147 L N 8.824 129.952 121.223 -0.159 0.000 2.325 147 L HA 0.706 5.038 4.340 -0.272 -0.155 0.281 147 L C -2.648 174.095 176.870 -0.211 0.000 1.004 147 L CA -1.185 53.522 54.840 -0.223 0.000 0.823 147 L CB 3.482 45.423 42.059 -0.198 0.000 1.236 147 L HN 0.670 8.826 8.230 -0.122 0.000 0.415 148 V N 6.029 125.774 119.914 -0.281 0.000 2.531 148 V HA 0.667 4.981 4.120 -0.047 -0.221 0.301 148 V C -1.425 174.540 176.094 -0.215 0.000 1.034 148 V CA -1.632 60.579 62.300 -0.150 0.000 0.865 148 V CB 2.511 34.297 31.823 -0.061 0.000 0.995 148 V HN 0.540 8.531 8.190 -0.333 0.000 0.424 149 F N 6.363 126.395 119.950 0.136 0.000 2.440 149 F HA 0.367 5.025 4.527 0.219 0.000 0.328 149 F C -0.404 175.453 175.800 0.096 0.000 1.070 149 F CA -1.306 56.778 58.000 0.140 0.000 1.011 149 F CB 3.024 42.064 39.000 0.067 0.000 1.226 149 F HN 0.502 8.964 8.300 0.270 0.000 0.491 150 T N 4.056 118.789 114.554 0.299 0.000 2.771 150 T HA 0.394 5.013 4.350 0.178 -0.162 0.291 150 T C -0.593 174.185 174.700 0.131 0.000 0.954 150 T CA 0.446 62.669 62.100 0.204 0.000 1.045 150 T CB 0.622 69.624 68.868 0.223 0.000 0.917 150 T HN 0.281 8.720 8.240 0.331 0.000 0.484 151 S N 6.753 122.502 115.700 0.081 0.000 2.788 151 S HA 0.342 4.781 4.470 -0.052 0.000 0.291 151 S C -1.507 173.100 174.600 0.012 0.000 1.061 151 S CA -1.854 56.342 58.200 -0.007 0.000 0.923 151 S CB 1.024 64.195 63.200 -0.049 0.000 1.339 151 S HN 0.607 8.861 8.310 0.091 0.111 0.591 152 S N -1.904 113.770 115.700 -0.043 0.000 2.567 152 S HA 0.216 4.909 4.470 0.026 -0.206 0.270 152 S C 0.716 175.264 174.600 -0.088 0.000 1.152 152 S CA -1.450 56.741 58.200 -0.015 0.000 0.835 152 S CB 1.329 64.562 63.200 0.055 0.000 1.115 152 S HN 0.301 8.555 8.310 -0.093 0.000 0.459 153 S N 5.004 120.646 115.700 -0.095 0.000 2.387 153 S HA -0.235 4.170 4.470 -0.109 0.000 0.230 153 S C 1.054 175.573 174.600 -0.135 0.000 1.035 153 S CA 3.505 61.633 58.200 -0.119 0.000 1.014 153 S CB -0.004 63.126 63.200 -0.117 0.000 0.836 153 S HN 0.666 8.927 8.310 -0.082 0.000 0.466 154 V N -6.673 113.148 119.914 -0.155 0.000 3.573 154 V HA 0.386 4.727 4.120 -0.020 -0.233 0.270 154 V C 0.795 176.920 176.094 0.052 0.000 1.221 154 V CA 0.220 62.481 62.300 -0.065 0.000 1.163 154 V CB -0.490 31.237 31.823 -0.160 0.000 0.847 154 V HN -0.916 7.146 8.190 -0.186 0.016 0.468 155 G N -1.329 107.381 108.800 -0.151 0.000 2.985 155 G HA2 0.048 3.915 3.960 -0.255 0.000 0.209 155 G HA3 0.048 3.799 3.960 -0.348 0.000 0.209 155 G C -0.038 174.251 174.900 -1.019 0.000 1.165 155 G CA 0.543 45.397 45.100 -0.410 0.000 0.776 155 G HN -0.222 7.795 8.290 -0.165 0.173 0.541 156 R N -1.560 118.564 120.500 -0.626 0.000 2.310 156 R HA 0.185 4.073 4.340 -0.755 0.000 0.199 156 R C -0.216 175.964 176.300 -0.200 0.000 0.891 156 R CA -0.006 55.771 56.100 -0.538 0.000 1.060 156 R CB 2.109 32.247 30.300 -0.270 0.000 1.188 156 R HN -0.497 7.410 8.270 -0.349 0.153 0.607 157 Q N -0.152 119.664 119.800 0.028 0.000 2.294 157 Q HA 0.289 4.812 4.340 0.305 0.000 0.264 157 Q C -0.942 175.217 176.000 0.265 0.000 0.992 157 Q CA -1.482 54.440 55.803 0.199 0.000 0.747 157 Q CB 2.937 31.720 28.738 0.075 0.000 1.262 157 Q HN -0.389 7.871 8.270 -0.016 0.000 0.452 158 G N 4.683 113.693 108.800 0.350 0.000 2.432 158 G HA2 -0.102 4.013 3.960 0.258 0.000 0.239 158 G HA3 -0.102 3.910 3.960 0.086 0.000 0.239 158 G C -1.448 173.537 174.900 0.141 0.000 1.291 158 G CA -0.084 45.137 45.100 0.201 0.000 0.863 158 G HN 0.437 8.957 8.290 0.384 0.000 0.560 159 R N 1.181 121.783 120.500 0.170 0.000 2.725 159 R HA 0.162 4.593 4.340 0.151 0.000 0.277 159 R C -1.022 175.455 176.300 0.295 0.000 0.987 159 R CA -1.868 54.349 56.100 0.194 0.000 0.901 159 R CB 2.889 33.283 30.300 0.156 0.000 1.207 159 R HN -0.171 8.223 8.270 0.206 0.000 0.463 160 A N 2.347 125.302 122.820 0.225 0.000 2.587 160 A HA -0.216 4.192 4.320 0.148 0.000 0.235 160 A C -0.559 177.153 177.584 0.213 0.000 1.044 160 A CA 1.561 53.707 52.037 0.181 0.000 0.754 160 A CB -0.137 18.935 19.000 0.120 0.000 0.968 160 A HN 0.450 8.708 8.150 0.181 0.000 0.509 161 N N -2.806 115.949 118.700 0.092 0.000 2.980 161 N HA -0.366 4.421 4.740 -0.070 -0.090 0.219 161 N C 0.274 175.659 175.510 -0.210 0.000 0.883 161 N CA 2.419 55.416 53.050 -0.088 0.000 1.018 161 N CB -1.523 36.834 38.487 -0.216 0.000 1.041 161 N HN 0.169 8.605 8.380 0.092 0.000 0.592 162 W N -1.430 119.903 121.300 0.054 0.000 3.290 162 W HA 0.016 4.707 4.660 0.053 0.000 0.287 162 W C 1.057 177.632 176.519 0.093 0.000 1.288 162 W CA 1.643 59.035 57.345 0.078 0.000 1.725 162 W CB 0.309 29.840 29.460 0.118 0.000 1.103 162 W HN -0.597 7.743 8.180 0.362 0.057 0.670 163 G N 0.039 108.980 108.800 0.236 0.000 2.685 163 G HA2 -0.650 3.516 3.960 0.344 0.000 0.357 163 G HA3 -0.650 3.618 3.960 0.243 -0.162 0.357 163 G C 0.246 175.142 174.900 -0.005 0.000 1.272 163 G CA 1.635 46.880 45.100 0.241 0.000 0.972 163 G HN -0.242 8.185 8.290 0.228 0.000 0.550 164 A N 2.604 125.245 122.820 -0.300 0.000 1.933 164 A HA -0.379 2.795 4.320 -1.909 0.000 0.218 164 A C 1.463 178.815 177.584 -0.387 0.000 1.175 164 A CA 2.623 54.064 52.037 -0.992 0.000 0.628 164 A CB -0.147 18.311 19.000 -0.903 0.000 0.814 164 A HN 0.421 8.527 8.150 -0.074 0.000 0.444 165 Y N 0.626 120.836 120.300 -0.150 0.000 2.145 165 Y HA -0.403 4.124 4.550 -0.037 0.000 0.286 165 Y C 1.703 177.638 175.900 0.058 0.000 1.145 165 Y CA 3.136 61.244 58.100 0.013 0.000 1.148 165 Y CB -0.206 38.383 38.460 0.214 0.000 0.981 165 Y HN -0.602 7.771 8.280 0.155 0.000 0.507 166 A N -1.939 121.003 122.820 0.205 0.000 1.883 166 A HA -0.472 4.028 4.320 0.155 -0.087 0.217 166 A C 1.619 179.259 177.584 0.093 0.000 1.186 166 A CA 3.010 55.148 52.037 0.169 0.000 0.624 166 A CB -0.936 18.217 19.000 0.256 0.000 0.822 166 A HN -0.298 8.053 8.150 0.334 0.000 0.444 167 A N -2.378 120.411 122.820 -0.052 0.000 1.908 167 A HA -0.341 3.949 4.320 -0.051 0.000 0.218 167 A C 2.102 179.640 177.584 -0.076 0.000 1.181 167 A CA 3.112 55.100 52.037 -0.082 0.000 0.627 167 A CB -0.739 18.173 19.000 -0.147 0.000 0.818 167 A HN -0.234 7.854 8.150 -0.102 0.000 0.445 168 S N -2.158 113.427 115.700 -0.192 0.000 2.402 168 S HA -0.174 4.204 4.470 -0.154 0.000 0.229 168 S C 1.933 176.424 174.600 -0.182 0.000 1.021 168 S CA 2.869 60.952 58.200 -0.195 0.000 0.974 168 S CB -0.497 62.556 63.200 -0.244 0.000 0.800 168 S HN -0.032 8.119 8.310 -0.254 0.006 0.484 169 K N 2.200 122.470 120.400 -0.216 0.000 2.186 169 K HA 0.023 4.203 4.320 -0.233 0.000 0.202 169 K C 2.306 178.833 176.600 -0.121 0.000 1.052 169 K CA 1.315 57.469 56.287 -0.220 0.000 0.965 169 K CB -0.805 31.491 32.500 -0.339 0.000 0.746 169 K HN -0.555 7.469 8.250 -0.224 0.091 0.457 170 F N 0.898 120.756 119.950 -0.154 0.000 2.095 170 F HA -0.301 4.313 4.527 -0.105 -0.150 0.298 170 F C 2.104 177.829 175.800 -0.125 0.000 1.104 170 F CA 4.010 61.942 58.000 -0.113 0.000 1.232 170 F CB -0.058 38.897 39.000 -0.076 0.000 0.987 170 F HN 0.023 8.507 8.300 0.306 0.000 0.475 171 A N -2.347 120.505 122.820 0.053 0.000 1.933 171 A HA -0.374 3.934 4.320 -0.019 0.000 0.218 171 A C 1.858 179.361 177.584 -0.135 0.000 1.175 171 A CA 3.366 55.379 52.037 -0.040 0.000 0.628 171 A CB -1.090 17.876 19.000 -0.057 0.000 0.814 171 A HN -0.116 8.072 8.150 0.063 0.000 0.444 172 T N 1.083 115.532 114.554 -0.174 0.000 2.746 172 T HA -0.459 3.672 4.350 -0.366 0.000 0.267 172 T C 2.007 176.525 174.700 -0.304 0.000 1.039 172 T CA 5.360 67.290 62.100 -0.282 0.000 1.142 172 T CB -0.259 68.481 68.868 -0.214 0.000 0.866 172 T HN -0.499 7.557 8.240 -0.148 0.095 0.444 173 E N 1.602 121.671 120.200 -0.220 0.000 2.085 173 E HA -0.308 3.931 4.350 -0.185 0.000 0.194 173 E C 2.654 179.151 176.600 -0.171 0.000 0.994 173 E CA 3.090 59.370 56.400 -0.200 0.000 0.801 173 E CB -0.545 29.010 29.700 -0.241 0.000 0.743 173 E HN -0.440 7.797 8.360 -0.205 0.000 0.453 174 G N -1.257 107.458 108.800 -0.141 0.000 2.421 174 G HA2 -0.324 3.585 3.960 -0.084 0.000 0.216 174 G HA3 -0.324 3.588 3.960 -0.080 0.000 0.216 174 G C 0.977 175.797 174.900 -0.132 0.000 1.171 174 G CA 1.785 46.822 45.100 -0.105 0.000 0.775 174 G HN -0.151 8.062 8.290 -0.127 0.000 0.543 175 M N 2.713 122.191 119.600 -0.204 0.000 2.108 175 M HA -0.363 4.021 4.480 -0.160 0.000 0.261 175 M C 1.526 177.684 176.300 -0.237 0.000 1.066 175 M CA 3.647 58.803 55.300 -0.240 0.000 1.107 175 M CB 0.164 32.543 32.600 -0.368 0.000 1.356 175 M HN -0.199 7.955 8.290 -0.226 0.000 0.406 176 M N -0.627 118.770 119.600 -0.339 0.000 2.108 176 M HA -0.478 3.983 4.480 -0.031 0.000 0.261 176 M C 1.924 178.220 176.300 -0.007 0.000 1.066 176 M CA 3.383 58.607 55.300 -0.127 0.000 1.107 176 M CB -0.639 31.917 32.600 -0.074 0.000 1.356 176 M HN -0.135 7.904 8.290 -0.418 0.000 0.406 177 Q N -1.267 118.504 119.800 -0.048 0.000 2.079 177 Q HA -0.336 4.002 4.340 -0.003 0.000 0.200 177 Q C 2.910 178.912 176.000 0.004 0.000 0.974 177 Q CA 3.165 58.957 55.803 -0.019 0.000 0.840 177 Q CB 0.110 28.822 28.738 -0.042 0.000 0.898 177 Q HN -0.335 7.804 8.270 -0.086 0.079 0.430 178 V N 0.904 120.813 119.914 -0.007 0.000 2.287 178 V HA -0.548 3.573 4.120 0.002 0.000 0.248 178 V C 1.850 177.985 176.094 0.068 0.000 1.053 178 V CA 4.553 66.859 62.300 0.011 0.000 1.027 178 V CB -0.156 31.662 31.823 -0.009 0.000 0.646 178 V HN -0.240 7.930 8.190 -0.032 0.000 0.447 179 L N -1.731 119.566 121.223 0.122 0.000 2.046 179 L HA -0.400 4.134 4.340 0.323 0.000 0.208 179 L C 2.056 179.089 176.870 0.272 0.000 1.077 179 L CA 3.119 58.117 54.840 0.264 0.000 0.747 179 L CB -0.562 41.678 42.059 0.301 0.000 0.896 179 L HN -0.342 7.943 8.230 0.091 0.000 0.432 180 A N -1.714 121.209 122.820 0.172 0.000 1.933 180 A HA -0.307 4.117 4.320 0.173 0.000 0.218 180 A C 1.402 179.047 177.584 0.102 0.000 1.175 180 A CA 2.632 54.754 52.037 0.141 0.000 0.628 180 A CB -0.628 18.427 19.000 0.092 0.000 0.814 180 A HN -0.049 8.183 8.150 0.138 0.000 0.444 181 D N -1.745 118.692 120.400 0.061 0.000 2.097 181 D HA -0.159 4.491 4.640 0.017 0.000 0.197 181 D C 2.531 178.822 176.300 -0.015 0.000 0.984 181 D CA 2.545 56.556 54.000 0.019 0.000 0.826 181 D CB 0.233 41.033 40.800 0.001 0.000 0.973 181 D HN -0.553 7.852 8.370 0.058 0.000 0.460 182 E N -0.146 120.031 120.200 -0.040 0.000 2.153 182 E HA -0.285 3.945 4.350 -0.200 0.000 0.194 182 E C 2.213 178.573 176.600 -0.401 0.000 0.988 182 E CA 2.879 59.142 56.400 -0.228 0.000 0.811 182 E CB 0.515 30.036 29.700 -0.299 0.000 0.746 182 E HN -0.318 8.048 8.360 0.009 0.000 0.466 183 Y N -3.862 116.455 120.300 0.027 0.000 2.720 183 Y HA 0.148 4.710 4.550 0.019 0.000 0.277 183 Y C -1.386 174.523 175.900 0.015 0.000 1.144 183 Y CA -1.812 56.302 58.100 0.023 0.000 1.221 183 Y CB -0.626 37.852 38.460 0.031 0.000 1.163 183 Y HN -0.429 7.908 8.280 0.135 0.023 0.537 184 Q N 0.783 120.628 119.800 0.075 0.000 2.283 184 Q HA -0.211 4.166 4.340 0.062 0.000 0.301 184 Q C 0.930 176.959 176.000 0.048 0.000 1.063 184 Q CA 1.955 57.789 55.803 0.052 0.000 0.952 184 Q CB -0.208 28.541 28.738 0.019 0.000 1.166 184 Q HN -0.932 7.303 8.270 0.032 0.054 0.381 185 Q N 0.207 120.034 119.800 0.046 0.000 2.416 185 Q HA -0.316 4.040 4.340 0.027 0.000 0.235 185 Q C -0.348 175.682 176.000 0.050 0.000 0.773 185 Q CA 2.088 57.912 55.803 0.035 0.000 1.286 185 Q CB -1.011 27.739 28.738 0.021 0.000 1.556 185 Q HN 0.797 9.094 8.270 0.044 0.000 0.650 186 R N -4.300 116.254 120.500 0.090 0.000 2.428 186 R HA 0.084 4.469 4.340 0.075 0.000 0.193 186 R C -1.147 175.202 176.300 0.082 0.000 0.852 186 R CA 0.895 57.063 56.100 0.113 0.000 1.055 186 R CB 2.823 33.254 30.300 0.218 0.000 1.343 186 R HN -0.246 7.937 8.270 0.110 0.153 0.655 187 L N -3.521 117.758 121.223 0.094 0.000 2.376 187 L HA 0.487 4.913 4.340 -0.030 -0.104 0.258 187 L C -1.594 175.286 176.870 0.018 0.000 1.013 187 L CA -1.350 53.493 54.840 0.004 0.000 0.822 187 L CB 4.201 46.203 42.059 -0.094 0.000 1.388 187 L HN -0.378 7.943 8.230 0.152 0.000 0.413 188 R N 0.266 120.749 120.500 -0.028 0.000 2.254 188 R HA 0.160 4.505 4.340 0.009 0.000 0.318 188 R C -1.445 174.855 176.300 -0.001 0.000 1.031 188 R CA -0.472 55.617 56.100 -0.018 0.000 0.905 188 R CB 1.183 31.438 30.300 -0.075 0.000 1.050 188 R HN 0.131 8.366 8.270 -0.058 0.000 0.456 189 V N 5.259 125.210 119.914 0.061 0.000 2.482 189 V HA 0.800 5.196 4.120 0.080 -0.228 0.295 189 V C -1.699 174.490 176.094 0.158 0.000 1.026 189 V CA -1.387 60.982 62.300 0.115 0.000 0.856 189 V CB 2.226 34.157 31.823 0.179 0.000 1.001 189 V HN 0.434 8.669 8.190 0.075 0.000 0.424 190 N N 5.407 124.221 118.700 0.189 0.000 2.732 190 N HA 0.719 5.675 4.740 0.181 -0.108 0.259 190 N C -1.946 173.717 175.510 0.255 0.000 1.402 190 N CA -0.786 52.395 53.050 0.219 0.000 0.829 190 N CB 5.413 44.086 38.487 0.310 0.000 1.495 190 N HN 0.174 8.656 8.380 0.169 0.000 0.511 191 C N -1.453 117.973 119.300 0.210 0.000 2.529 191 C HA 0.744 5.543 4.460 0.231 -0.201 0.329 191 C C -1.023 174.072 174.990 0.175 0.000 1.194 191 C CA -1.480 57.649 59.018 0.186 0.000 1.779 191 C CB 3.323 31.121 27.740 0.096 0.000 2.322 191 C HN 0.403 8.728 8.230 0.159 0.000 0.500 192 I N 1.090 121.720 120.570 0.101 0.000 2.433 192 I HA 0.324 4.707 4.170 0.099 -0.153 0.292 192 I C -1.649 174.498 176.117 0.050 0.000 1.001 192 I CA -1.225 60.096 61.300 0.034 0.000 1.119 192 I CB 2.896 40.759 38.000 -0.228 0.000 1.289 192 I HN 0.531 8.801 8.210 0.099 0.000 0.438 193 N N 7.546 126.279 118.700 0.055 0.000 2.462 193 N HA 0.533 5.472 4.740 0.071 -0.157 0.242 193 N C -1.570 173.995 175.510 0.091 0.000 1.010 193 N CA -3.469 49.617 53.050 0.060 0.000 0.939 193 N CB 1.597 40.096 38.487 0.019 0.000 1.127 193 N HN 0.540 8.956 8.380 0.061 0.000 0.509 194 P HA -0.009 4.549 4.420 0.231 0.000 0.226 194 P C -0.079 177.291 177.300 0.116 0.000 1.153 194 P CA 0.368 63.580 63.100 0.186 0.000 0.777 194 P CB 0.245 32.081 31.700 0.228 0.000 0.794 195 G N -2.038 106.810 108.800 0.079 0.000 2.642 195 G HA2 -0.255 3.718 3.960 0.022 0.000 0.231 195 G HA3 -0.255 3.726 3.960 0.035 0.000 0.231 195 G C -0.570 174.355 174.900 0.042 0.000 1.338 195 G CA -0.522 44.603 45.100 0.042 0.000 0.883 195 G HN -0.556 8.006 8.290 0.079 -0.224 0.570 196 G N 1.226 110.031 108.800 0.008 0.000 2.439 196 G HA2 -0.043 3.926 3.960 0.015 0.000 0.298 196 G HA3 -0.043 3.884 3.960 -0.056 0.000 0.298 196 G C -1.387 173.514 174.900 0.002 0.000 1.044 196 G CA -0.038 45.056 45.100 -0.010 0.000 1.168 196 G HN 0.217 8.503 8.290 -0.007 0.000 0.433 197 T N 5.867 120.438 114.554 0.028 0.000 2.887 197 T HA 0.255 4.742 4.350 0.014 -0.129 0.288 197 T C -1.173 173.542 174.700 0.023 0.000 1.021 197 T CA -1.280 60.836 62.100 0.026 0.000 1.000 197 T CB 2.968 71.860 68.868 0.040 0.000 1.034 197 T HN -0.487 7.781 8.240 0.047 0.000 0.467 198 R N 6.036 126.542 120.500 0.011 0.000 2.357 198 R HA -0.122 4.227 4.340 0.016 0.000 0.330 198 R C -0.722 175.587 176.300 0.016 0.000 1.102 198 R CA 0.605 56.712 56.100 0.012 0.000 0.974 198 R CB -0.506 29.796 30.300 0.003 0.000 1.002 198 R HN 0.654 8.822 8.270 0.005 0.105 0.463 199 T N 0.806 115.377 114.554 0.030 0.000 2.841 199 T HA 0.284 4.645 4.350 0.019 0.000 0.296 199 T C -0.298 174.423 174.700 0.035 0.000 1.166 199 T CA -2.238 59.879 62.100 0.029 0.000 1.007 199 T CB 3.123 72.013 68.868 0.036 0.000 1.253 199 T HN -0.588 7.676 8.240 0.039 0.000 0.511 200 A N 0.325 123.162 122.820 0.027 0.000 2.019 200 A HA -0.147 4.188 4.320 0.025 0.000 0.219 200 A C 1.823 179.425 177.584 0.030 0.000 1.164 200 A CA 2.469 54.520 52.037 0.025 0.000 0.644 200 A CB -0.561 18.449 19.000 0.017 0.000 0.805 200 A HN 0.621 8.785 8.150 0.022 0.000 0.449 201 M N -3.074 116.547 119.600 0.035 0.000 2.132 201 M HA -0.265 4.221 4.480 0.010 0.000 0.263 201 M C 1.834 178.172 176.300 0.062 0.000 1.065 201 M CA 2.643 57.961 55.300 0.030 0.000 1.122 201 M CB 0.011 32.628 32.600 0.028 0.000 1.365 201 M HN -0.338 7.952 8.290 0.038 0.022 0.411 202 R N -1.553 119.008 120.500 0.102 0.000 2.193 202 R HA -0.203 4.299 4.340 0.270 0.000 0.229 202 R C 1.181 177.589 176.300 0.180 0.000 1.110 202 R CA 1.951 58.161 56.100 0.184 0.000 0.988 202 R CB -0.541 29.843 30.300 0.139 0.000 0.871 202 R HN -0.494 7.827 8.270 0.085 0.000 0.458 203 A N -4.700 118.178 122.820 0.097 0.000 2.238 203 A HA 0.045 4.422 4.320 0.096 0.000 0.208 203 A C 0.381 177.990 177.584 0.041 0.000 1.177 203 A CA 1.241 53.323 52.037 0.074 0.000 0.804 203 A CB -0.620 18.406 19.000 0.044 0.000 0.823 203 A HN -0.660 7.373 8.150 0.073 0.161 0.482 204 S N -0.011 115.701 115.700 0.020 0.000 2.566 204 S HA 0.030 4.473 4.470 -0.044 0.000 0.234 204 S C 0.929 175.453 174.600 -0.126 0.000 1.075 204 S CA 1.443 59.615 58.200 -0.047 0.000 0.926 204 S CB 0.774 63.936 63.200 -0.063 0.000 0.811 204 S HN -0.446 7.710 8.310 0.036 0.176 0.518 205 A N 0.687 123.426 122.820 -0.135 0.000 1.930 205 A HA -0.095 3.892 4.320 -0.556 0.000 0.217 205 A C 0.023 177.255 177.584 -0.587 0.000 1.175 205 A CA 2.079 53.867 52.037 -0.415 0.000 0.627 205 A CB 0.651 19.492 19.000 -0.265 0.000 0.815 205 A HN -0.671 7.459 8.150 -0.034 0.000 0.443 206 F N -4.490 115.456 119.950 -0.007 0.000 2.531 206 F HA 0.412 4.941 4.527 0.003 0.000 0.333 206 F C -2.014 173.786 175.800 0.000 0.000 1.292 206 F CA -3.265 54.742 58.000 0.012 0.000 1.184 206 F CB 0.346 39.377 39.000 0.051 0.000 1.426 206 F HN -0.594 7.844 8.300 0.230 0.000 0.559 207 P HA 0.094 4.665 4.420 0.052 -0.120 0.234 207 P C -0.442 176.894 177.300 0.060 0.000 1.167 207 P CA 1.290 64.419 63.100 0.049 0.000 0.763 207 P CB -0.016 31.683 31.700 -0.003 0.000 0.835 208 T N -4.427 110.181 114.554 0.090 0.000 3.043 208 T HA 0.111 4.492 4.350 0.053 0.000 0.272 208 T C -0.897 173.854 174.700 0.085 0.000 0.990 208 T CA -0.749 61.394 62.100 0.072 0.000 0.897 208 T CB 0.565 69.468 68.868 0.059 0.000 1.111 208 T HN -0.305 7.941 8.240 0.126 0.070 0.529 209 E N 3.287 123.558 120.200 0.118 0.000 2.318 209 E HA 0.024 4.412 4.350 0.064 0.000 0.265 209 E C -1.189 175.435 176.600 0.040 0.000 1.069 209 E CA -0.591 55.855 56.400 0.077 0.000 0.893 209 E CB 1.118 30.855 29.700 0.062 0.000 1.076 209 E HN -0.827 7.627 8.360 0.157 0.000 0.414 210 D N 1.315 121.724 120.400 0.014 0.000 2.365 210 D HA 0.267 4.914 4.640 0.013 0.000 0.237 210 D C 0.252 176.549 176.300 -0.005 0.000 1.190 210 D CA -3.563 50.440 54.000 0.006 0.000 0.867 210 D CB 0.685 41.485 40.800 0.001 0.000 1.050 210 D HN 0.181 8.555 8.370 0.006 0.000 0.491 211 P HA -0.107 4.310 4.420 -0.006 0.000 0.222 211 P C 1.012 178.308 177.300 -0.007 0.000 1.147 211 P CA 1.369 64.469 63.100 -0.000 0.000 0.790 211 P CB 0.302 32.009 31.700 0.011 0.000 0.780 212 Q N -3.749 116.048 119.800 -0.006 0.000 2.291 212 Q HA -0.281 4.055 4.340 -0.005 0.000 0.206 212 Q C 1.019 177.012 176.000 -0.012 0.000 0.976 212 Q CA 2.258 58.056 55.803 -0.007 0.000 0.875 212 Q CB -0.316 28.419 28.738 -0.004 0.000 0.927 212 Q HN -0.538 7.938 8.270 -0.003 -0.208 0.450 213 K N -3.220 117.169 120.400 -0.019 0.000 2.379 213 K HA -0.017 4.292 4.320 -0.019 0.000 0.194 213 K C -0.531 176.050 176.600 -0.031 0.000 1.031 213 K CA -0.719 55.553 56.287 -0.025 0.000 1.037 213 K CB 0.491 32.973 32.500 -0.030 0.000 0.824 213 K HN -0.640 7.566 8.250 -0.020 0.032 0.516 214 L N -0.997 120.207 121.223 -0.033 0.000 2.453 214 L HA -0.073 4.240 4.340 -0.045 0.000 0.261 214 L C 0.325 177.185 176.870 -0.018 0.000 1.179 214 L CA -0.446 54.374 54.840 -0.034 0.000 0.813 214 L CB 0.266 42.306 42.059 -0.032 0.000 1.110 214 L HN -0.704 7.353 8.230 -0.029 0.156 0.466 215 K N 0.533 120.925 120.400 -0.012 0.000 2.154 215 K HA 0.128 4.446 4.320 -0.002 0.000 0.264 215 K C 0.069 176.669 176.600 -0.000 0.000 1.008 215 K CA -1.058 55.228 56.287 -0.002 0.000 0.937 215 K CB 1.320 33.824 32.500 0.007 0.000 1.002 215 K HN 0.029 8.271 8.250 -0.015 0.000 0.469 216 T N 4.882 119.435 114.554 -0.001 0.000 2.913 216 T HA 0.307 4.652 4.350 -0.008 0.000 0.287 216 T C -0.345 174.346 174.700 -0.015 0.000 1.008 216 T CA -1.408 60.688 62.100 -0.007 0.000 1.067 216 T CB 0.150 69.013 68.868 -0.009 0.000 0.996 216 T HN -0.234 8.558 8.240 0.001 -0.552 0.513 217 P HA -0.187 4.191 4.420 -0.069 0.000 0.216 217 P C 0.494 177.746 177.300 -0.081 0.000 1.153 217 P CA 2.773 65.830 63.100 -0.071 0.000 0.858 217 P CB -0.092 31.552 31.700 -0.093 0.000 0.789 218 A N -4.519 118.269 122.820 -0.054 0.000 1.948 218 A HA -0.251 4.039 4.320 -0.051 0.000 0.220 218 A C 2.308 179.888 177.584 -0.006 0.000 1.177 218 A CA 2.821 54.837 52.037 -0.035 0.000 0.636 218 A CB -0.943 18.048 19.000 -0.016 0.000 0.815 218 A HN 0.192 8.315 8.150 -0.045 0.000 0.449 219 D N -2.447 117.955 120.400 0.005 0.000 2.218 219 D HA -0.181 4.480 4.640 0.035 0.000 0.204 219 D C 1.138 177.467 176.300 0.049 0.000 0.976 219 D CA 2.540 56.557 54.000 0.028 0.000 0.853 219 D CB -0.187 40.627 40.800 0.024 0.000 0.939 219 D HN -0.407 7.848 8.370 -0.002 0.114 0.481 220 I N -10.615 109.984 120.570 0.048 0.000 3.928 220 I HA 0.270 4.508 4.170 0.114 0.000 0.335 220 I C 0.516 176.740 176.117 0.179 0.000 1.325 220 I CA -1.093 60.274 61.300 0.112 0.000 1.107 220 I CB 0.589 38.676 38.000 0.145 0.000 1.014 220 I HN -0.744 7.447 8.210 0.018 0.030 0.400 221 M N 1.679 121.329 119.600 0.084 0.000 2.374 221 M HA -0.100 4.437 4.480 0.096 0.000 0.264 221 M C -0.768 175.648 176.300 0.193 0.000 1.067 221 M CA 1.685 57.043 55.300 0.096 0.000 1.103 221 M CB -3.191 29.400 32.600 -0.015 0.000 1.402 221 M HN -0.583 7.675 8.290 0.039 0.055 0.444 222 P HA -0.214 4.321 4.420 0.192 0.000 0.216 222 P C 1.459 178.909 177.300 0.250 0.000 1.153 222 P CA 3.321 66.540 63.100 0.198 0.000 0.858 222 P CB -0.545 31.244 31.700 0.147 0.000 0.789 223 L N -3.230 118.093 121.223 0.166 0.000 2.093 223 L HA -0.109 4.235 4.340 0.007 0.000 0.208 223 L C 1.611 178.551 176.870 0.117 0.000 1.085 223 L CA 2.309 57.189 54.840 0.067 0.000 0.755 223 L CB -0.464 41.574 42.059 -0.035 0.000 0.904 223 L HN -0.668 7.663 8.230 0.168 0.000 0.435 224 Y N -1.844 118.531 120.300 0.126 0.000 2.181 224 Y HA -0.424 4.234 4.550 0.180 0.000 0.288 224 Y C 2.598 178.681 175.900 0.305 0.000 1.146 224 Y CA 4.277 62.485 58.100 0.180 0.000 1.164 224 Y CB -0.489 38.016 38.460 0.076 0.000 0.982 224 Y HN -0.793 7.774 8.280 0.478 0.000 0.515 225 L N -2.442 119.029 121.223 0.414 0.000 2.056 225 L HA -0.434 4.128 4.340 0.371 0.000 0.207 225 L C 1.652 178.662 176.870 0.233 0.000 1.078 225 L CA 2.865 57.892 54.840 0.311 0.000 0.749 225 L CB -0.266 41.866 42.059 0.122 0.000 0.901 225 L HN -0.342 8.106 8.230 0.363 0.000 0.433 226 W N -0.819 120.475 121.300 -0.010 0.000 2.338 226 W HA -0.387 4.033 4.660 -0.399 0.000 0.304 226 W C 1.383 177.734 176.519 -0.281 0.000 1.212 226 W CA 3.943 61.066 57.345 -0.369 0.000 1.264 226 W CB -0.069 28.942 29.460 -0.749 0.000 1.142 226 W HN -0.416 7.981 8.180 0.363 0.000 0.512 227 L N -4.076 117.028 121.223 -0.199 0.000 2.275 227 L HA -0.218 3.732 4.340 -0.649 0.000 0.215 227 L C 1.818 178.492 176.870 -0.327 0.000 1.119 227 L CA 1.872 56.491 54.840 -0.369 0.000 0.790 227 L CB -0.480 41.480 42.059 -0.166 0.000 0.919 227 L HN -0.356 7.880 8.230 0.010 0.000 0.443 228 M N -4.494 114.955 119.600 -0.252 0.000 2.516 228 M HA 0.064 4.370 4.480 -0.290 0.000 0.259 228 M C 0.905 177.048 176.300 -0.261 0.000 1.146 228 M CA -0.601 54.520 55.300 -0.298 0.000 1.122 228 M CB 0.170 32.480 32.600 -0.483 0.000 1.341 228 M HN -0.616 7.433 8.290 -0.174 0.137 0.478 229 G N -1.822 106.842 108.800 -0.227 0.000 2.535 229 G HA2 0.053 3.935 3.960 -0.131 0.000 0.303 229 G HA3 0.053 3.966 3.960 -0.079 0.000 0.303 229 G C -0.292 174.475 174.900 -0.221 0.000 1.237 229 G CA -1.445 43.561 45.100 -0.157 0.000 0.986 229 G HN -0.610 7.545 8.290 -0.226 0.000 0.494 230 D N -1.962 118.359 120.400 -0.133 0.000 2.312 230 D HA -0.222 4.324 4.640 -0.157 0.000 0.211 230 D C 0.859 177.053 176.300 -0.176 0.000 0.964 230 D CA 2.338 56.257 54.000 -0.136 0.000 0.877 230 D CB -0.478 40.284 40.800 -0.063 0.000 0.924 230 D HN 0.479 8.805 8.370 -0.074 0.000 0.515 231 D N -0.464 119.820 120.400 -0.192 0.000 2.350 231 D HA -0.110 4.494 4.640 -0.059 0.000 0.216 231 D C 0.897 176.922 176.300 -0.457 0.000 0.968 231 D CA 2.542 56.437 54.000 -0.174 0.000 0.894 231 D CB -0.136 40.690 40.800 0.044 0.000 0.909 231 D HN 0.329 8.568 8.370 -0.153 0.039 0.520 232 S N -2.723 112.463 115.700 -0.856 0.000 2.568 232 S HA 0.169 4.000 4.470 -1.066 0.000 0.232 232 S C 1.152 175.433 174.600 -0.532 0.000 0.975 232 S CA -0.466 57.063 58.200 -1.118 0.000 0.949 232 S CB 0.473 62.547 63.200 -1.876 0.000 0.829 232 S HN -0.656 7.151 8.310 -0.766 0.044 0.479 233 R N 1.462 121.766 120.500 -0.328 0.000 2.159 233 R HA -0.312 3.905 4.340 -0.206 0.000 0.237 233 R C 0.354 176.579 176.300 -0.126 0.000 1.131 233 R CA 2.984 58.967 56.100 -0.196 0.000 0.982 233 R CB 0.128 30.348 30.300 -0.133 0.000 0.868 233 R HN -0.788 7.244 8.270 -0.303 0.057 0.453 234 R N -3.403 117.037 120.500 -0.100 0.000 2.702 234 R HA 0.056 4.380 4.340 -0.026 0.000 0.314 234 R C -0.845 175.458 176.300 0.006 0.000 1.152 234 R CA -0.217 55.864 56.100 -0.031 0.000 1.097 234 R CB -0.350 29.949 30.300 -0.002 0.000 1.343 234 R HN -0.161 8.010 8.270 -0.118 0.028 0.575 235 K N -0.873 119.515 120.400 -0.020 0.000 2.507 235 K HA 0.297 4.688 4.320 0.119 0.000 0.252 235 K C -1.666 174.979 176.600 0.076 0.000 0.943 235 K CA -1.095 55.241 56.287 0.081 0.000 0.808 235 K CB 1.554 34.159 32.500 0.175 0.000 1.142 235 K HN -0.602 7.526 8.250 -0.086 0.071 0.426 236 T N 1.607 116.218 114.554 0.095 0.000 2.868 236 T HA 0.035 4.568 4.350 0.100 -0.123 0.306 236 T C -0.327 174.415 174.700 0.070 0.000 1.224 236 T CA -1.022 61.128 62.100 0.084 0.000 1.012 236 T CB 1.387 70.291 68.868 0.059 0.000 1.221 236 T HN -0.276 8.020 8.240 0.093 0.000 0.499 237 G N 5.133 113.972 108.800 0.067 0.000 2.148 237 G HA2 -0.462 3.521 3.960 0.038 0.000 0.254 237 G HA3 -0.462 3.510 3.960 0.019 0.000 0.254 237 G C -1.025 173.856 174.900 -0.031 0.000 0.981 237 G CA 0.512 45.628 45.100 0.027 0.000 0.670 237 G HN 0.480 8.821 8.290 0.086 0.000 0.528 238 M N -1.394 118.174 119.600 -0.053 0.000 2.705 238 M HA 0.394 4.719 4.480 -0.258 0.000 0.311 238 M C -1.534 174.551 176.300 -0.359 0.000 1.214 238 M CA -0.840 54.295 55.300 -0.276 0.000 0.920 238 M CB 3.609 35.936 32.600 -0.455 0.000 1.687 238 M HN -0.195 8.381 8.290 0.024 -0.272 0.481 239 T N 0.658 114.893 114.554 -0.532 0.000 2.841 239 T HA 0.449 4.859 4.350 -0.203 -0.182 0.285 239 T C -0.992 173.402 174.700 -0.510 0.000 0.991 239 T CA -1.639 60.244 62.100 -0.362 0.000 0.966 239 T CB 1.141 69.890 68.868 -0.198 0.000 0.962 239 T HN -0.053 7.853 8.240 -0.557 0.000 0.438 240 F N 6.848 126.788 119.950 -0.017 0.000 2.508 240 F HA 0.238 4.742 4.527 -0.039 0.000 0.325 240 F C -1.471 174.302 175.800 -0.046 0.000 1.090 240 F CA -1.260 56.720 58.000 -0.032 0.000 0.945 240 F CB 3.313 42.304 39.000 -0.014 0.000 1.156 240 F HN 0.348 8.722 8.300 0.124 0.000 0.463 241 D N 2.935 123.413 120.400 0.130 0.000 2.274 241 D HA 0.327 5.138 4.640 0.057 -0.136 0.239 241 D C -0.351 175.988 176.300 0.065 0.000 1.104 241 D CA -0.335 53.705 54.000 0.066 0.000 0.840 241 D CB 0.798 41.612 40.800 0.023 0.000 1.100 241 D HN 0.192 8.638 8.370 0.127 0.000 0.477 242 A N 3.982 126.842 122.820 0.066 0.000 2.015 242 A HA -0.195 4.155 4.320 0.050 0.000 0.219 242 A C -1.073 176.546 177.584 0.059 0.000 1.163 242 A CA 2.128 54.209 52.037 0.073 0.000 0.646 242 A CB 0.691 19.781 19.000 0.150 0.000 0.806 242 A HN 0.332 8.525 8.150 0.072 0.000 0.448 243 Q N -6.217 113.612 119.800 0.047 0.000 2.821 243 Q HA 0.412 4.764 4.340 0.021 0.000 0.217 243 Q C -3.136 172.873 176.000 0.015 0.000 0.775 243 Q CA -2.383 53.437 55.803 0.029 0.000 0.930 243 Q CB -1.118 27.640 28.738 0.033 0.000 1.511 243 Q HN -0.390 7.891 8.270 0.048 0.018 0.457 244 P HA 0.000 4.417 4.420 -0.005 0.000 0.216 244 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 244 P CB 0.000 31.695 31.700 -0.009 0.000 0.726