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_A 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 DAQPG 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 4.348 4.480 -0.220 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.217 55.300 -0.138 0.000 0.988 1 M CB 0.000 32.469 32.600 -0.218 0.000 1.302 2 H N 4.167 123.214 119.070 -0.039 0.000 3.145 2 H HA -0.029 4.544 4.556 0.029 0.000 0.263 2 H C -2.014 173.375 175.328 0.102 0.000 1.057 2 H CA 0.448 56.508 56.048 0.020 0.000 1.477 2 H CB 0.004 29.770 29.762 0.005 0.000 1.529 2 H HN -0.031 8.335 8.280 0.143 0.000 0.508 3 Y N 8.308 128.403 120.300 -0.342 0.000 2.330 3 Y HA 0.071 4.509 4.550 -0.186 0.000 0.324 3 Y C -2.359 173.406 175.900 -0.226 0.000 1.093 3 Y CA -0.443 57.518 58.100 -0.230 0.000 1.103 3 Y CB 2.149 40.537 38.460 -0.120 0.000 1.183 3 Y HN -0.105 8.086 8.280 -0.149 0.000 0.433 4 Q N 7.382 126.867 119.800 -0.526 0.000 2.849 4 Q HA 0.406 4.559 4.340 -0.312 0.000 0.289 4 Q C -2.077 173.670 176.000 -0.422 0.000 1.012 4 Q CA -3.305 52.265 55.803 -0.388 0.000 0.899 4 Q CB 0.267 28.855 28.738 -0.252 0.000 1.235 4 Q HN 0.128 8.125 8.270 -0.455 0.000 0.457 5 P HA 0.082 4.198 4.420 -0.507 0.000 0.272 5 P C -0.537 176.721 177.300 -0.071 0.000 1.240 5 P CA -0.713 62.097 63.100 -0.484 0.000 0.791 5 P CB 0.815 32.188 31.700 -0.545 0.000 0.978 6 K N -1.225 119.174 120.400 -0.002 0.000 2.485 6 K HA -0.245 4.097 4.320 0.036 0.000 0.277 6 K C 1.182 177.881 176.600 0.165 0.000 0.990 6 K CA 0.680 57.002 56.287 0.059 0.000 0.994 6 K CB 0.397 32.926 32.500 0.049 0.000 0.906 6 K HN 0.063 8.303 8.250 -0.016 0.000 0.488 7 Q N 1.426 121.273 119.800 0.078 0.000 2.291 7 Q HA -0.302 3.980 4.340 -0.098 0.000 0.205 7 Q C -0.086 175.919 176.000 0.008 0.000 0.970 7 Q CA 2.789 58.563 55.803 -0.048 0.000 0.876 7 Q CB -0.321 28.306 28.738 -0.184 0.000 0.935 7 Q HN 0.720 9.006 8.270 0.027 0.000 0.455 8 D N -4.844 115.593 120.400 0.061 0.000 2.460 8 D HA -0.009 4.664 4.640 0.055 0.000 0.229 8 D C 0.990 177.356 176.300 0.110 0.000 1.170 8 D CA -1.437 52.603 54.000 0.066 0.000 0.827 8 D CB -1.801 39.015 40.800 0.027 0.000 0.973 8 D HN 0.030 8.408 8.370 0.054 0.025 0.496 9 L N 1.113 122.452 121.223 0.194 0.000 2.051 9 L HA -0.330 4.070 4.340 0.100 0.000 0.214 9 L C -0.115 176.807 176.870 0.087 0.000 1.076 9 L CA 3.170 58.093 54.840 0.139 0.000 0.758 9 L CB 0.325 42.471 42.059 0.146 0.000 0.890 9 L HN -0.670 7.660 8.230 0.299 0.079 0.433 10 L N -7.166 114.125 121.223 0.114 0.000 2.965 10 L HA 0.079 4.425 4.340 0.009 0.000 0.254 10 L C -1.064 175.833 176.870 0.043 0.000 1.220 10 L CA -1.563 53.307 54.840 0.051 0.000 1.023 10 L CB -0.741 41.346 42.059 0.047 0.000 1.355 10 L HN -0.356 7.963 8.230 0.177 0.017 0.545 11 N N 0.531 119.259 118.700 0.048 0.000 2.356 11 N HA -0.291 4.632 4.740 0.036 -0.162 0.252 11 N C 0.442 175.962 175.510 0.017 0.000 1.241 11 N CA 1.320 54.389 53.050 0.032 0.000 0.861 11 N CB -0.012 38.490 38.487 0.026 0.000 1.075 11 N HN -0.673 7.741 8.380 0.058 0.000 0.461 12 D N -1.731 118.681 120.400 0.019 0.000 2.800 12 D HA -0.348 4.304 4.640 0.021 0.000 0.232 12 D C -1.394 174.907 176.300 0.002 0.000 1.137 12 D CA 1.735 55.744 54.000 0.014 0.000 0.718 12 D CB -0.917 39.888 40.800 0.008 0.000 1.084 12 D HN 0.181 8.565 8.370 0.024 0.000 0.432 13 R N -3.877 116.620 120.500 -0.004 0.000 2.476 13 R HA 0.516 5.041 4.340 -0.037 -0.208 0.305 13 R C -1.267 175.011 176.300 -0.037 0.000 0.965 13 R CA -2.145 53.933 56.100 -0.036 0.000 0.867 13 R CB 2.288 32.547 30.300 -0.068 0.000 1.176 13 R HN -0.670 7.583 8.270 0.005 0.020 0.447 14 I N 5.445 125.988 120.570 -0.044 0.000 2.304 14 I HA 0.426 4.795 4.170 -0.025 -0.214 0.291 14 I C -0.993 175.051 176.117 -0.123 0.000 1.018 14 I CA -0.199 61.070 61.300 -0.052 0.000 1.260 14 I CB 0.803 38.793 38.000 -0.018 0.000 1.390 14 I HN 0.414 8.915 8.210 -0.048 -0.319 0.475 15 I N 6.532 127.026 120.570 -0.126 0.000 2.466 15 I HA 0.428 4.675 4.170 -0.183 -0.187 0.289 15 I C -1.620 174.437 176.117 -0.101 0.000 1.026 15 I CA -1.507 59.701 61.300 -0.155 0.000 1.078 15 I CB 3.092 40.948 38.000 -0.240 0.000 1.249 15 I HN 0.511 8.666 8.210 -0.090 0.000 0.429 16 L N 8.099 129.246 121.223 -0.128 0.000 2.289 16 L HA 0.695 5.191 4.340 -0.062 -0.193 0.285 16 L C -1.999 174.846 176.870 -0.041 0.000 1.049 16 L CA -1.320 53.463 54.840 -0.095 0.000 0.804 16 L CB 2.524 44.488 42.059 -0.158 0.000 1.195 16 L HN 0.336 8.468 8.230 -0.162 0.000 0.428 17 V N 6.656 126.587 119.914 0.029 0.000 2.444 17 V HA 0.513 4.814 4.120 0.055 -0.148 0.294 17 V C -0.953 175.173 176.094 0.053 0.000 1.022 17 V CA -1.651 60.687 62.300 0.064 0.000 0.850 17 V CB 2.295 34.187 31.823 0.114 0.000 0.992 17 V HN 0.698 8.914 8.190 0.044 0.000 0.426 18 T N 3.748 118.330 114.554 0.046 0.000 2.927 18 T HA 0.353 4.895 4.350 0.081 -0.143 0.281 18 T C 1.165 175.920 174.700 0.091 0.000 0.998 18 T CA -2.028 60.119 62.100 0.079 0.000 1.019 18 T CB 1.783 70.717 68.868 0.111 0.000 1.061 18 T HN 0.296 8.556 8.240 0.033 0.000 0.518 19 G N -0.229 108.626 108.800 0.092 0.000 2.341 19 G HA2 -0.409 3.595 3.960 0.073 0.000 0.292 19 G HA3 -0.409 3.602 3.960 0.085 0.000 0.292 19 G C -0.020 174.912 174.900 0.053 0.000 1.021 19 G CA 0.847 45.993 45.100 0.077 0.000 0.905 19 G HN 0.350 8.698 8.290 0.096 0.000 0.508 20 A N -2.169 120.681 122.820 0.050 0.000 2.209 20 A HA -0.108 4.227 4.320 0.025 0.000 0.212 20 A C -0.224 177.362 177.584 0.004 0.000 1.158 20 A CA 1.759 53.815 52.037 0.031 0.000 0.742 20 A CB -0.006 19.025 19.000 0.051 0.000 0.790 20 A HN -0.610 7.576 8.150 0.061 0.000 0.472 21 S N -5.226 110.474 115.700 -0.001 0.000 2.524 21 S HA -0.121 4.330 4.470 -0.032 0.000 0.216 21 S C -0.171 174.421 174.600 -0.015 0.000 0.987 21 S CA -0.347 57.840 58.200 -0.022 0.000 0.909 21 S CB -0.180 62.998 63.200 -0.036 0.000 0.781 21 S HN -0.117 8.156 8.310 0.010 0.043 0.521 22 D N 0.846 121.245 120.400 -0.001 0.000 2.433 22 D HA 0.106 4.744 4.640 -0.003 0.000 0.255 22 D C 1.439 177.732 176.300 -0.012 0.000 1.226 22 D CA -1.060 52.941 54.000 0.001 0.000 1.015 22 D CB 0.904 41.717 40.800 0.021 0.000 1.091 22 D HN -0.581 7.794 8.370 0.009 0.000 0.527 23 G N -1.344 107.450 108.800 -0.011 0.000 2.514 23 G HA2 -0.290 3.653 3.960 -0.027 0.000 0.217 23 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.217 23 G C 1.791 176.658 174.900 -0.055 0.000 1.198 23 G CA 2.147 47.232 45.100 -0.025 0.000 0.780 23 G HN 0.282 8.571 8.290 -0.001 0.000 0.565 24 I N 1.998 122.533 120.570 -0.058 0.000 2.286 24 I HA -0.293 3.765 4.170 -0.187 0.000 0.245 24 I C 2.028 178.046 176.117 -0.165 0.000 1.104 24 I CA 2.178 63.395 61.300 -0.139 0.000 1.397 24 I CB -0.171 37.767 38.000 -0.103 0.000 1.072 24 I HN -0.345 7.850 8.210 -0.026 0.000 0.417 25 G N -0.781 107.976 108.800 -0.071 0.000 2.421 25 G HA2 -0.348 3.581 3.960 -0.052 0.000 0.216 25 G HA3 -0.348 3.866 3.960 -0.008 -0.259 0.216 25 G C 0.709 175.566 174.900 -0.073 0.000 1.171 25 G CA 2.167 47.237 45.100 -0.050 0.000 0.775 25 G HN 0.248 8.899 8.290 -0.033 -0.380 0.543 26 R N 0.481 120.947 120.500 -0.057 0.000 2.115 26 R HA -0.156 4.234 4.340 -0.032 -0.069 0.230 26 R C 2.067 178.322 176.300 -0.075 0.000 1.111 26 R CA 2.737 58.811 56.100 -0.044 0.000 0.976 26 R CB -0.574 29.715 30.300 -0.017 0.000 0.870 26 R HN 0.093 8.334 8.270 -0.047 0.000 0.445 27 E N 0.526 120.656 120.200 -0.118 0.000 2.072 27 E HA -0.249 4.040 4.350 -0.102 0.000 0.190 27 E C 1.864 178.310 176.600 -0.256 0.000 0.982 27 E CA 2.485 58.792 56.400 -0.154 0.000 0.803 27 E CB -0.482 29.117 29.700 -0.168 0.000 0.755 27 E HN -0.650 7.637 8.360 -0.121 0.000 0.453 28 A N -0.171 122.427 122.820 -0.369 0.000 1.902 28 A HA -0.165 3.725 4.320 -0.717 0.000 0.217 28 A C 1.862 179.096 177.584 -0.584 0.000 1.181 28 A CA 3.083 54.753 52.037 -0.612 0.000 0.623 28 A CB -0.625 18.040 19.000 -0.559 0.000 0.818 28 A HN 0.034 7.980 8.150 -0.340 0.000 0.443 29 A N -1.615 121.061 122.820 -0.239 0.000 1.883 29 A HA -0.328 4.014 4.320 0.038 0.000 0.217 29 A C 1.797 179.359 177.584 -0.037 0.000 1.186 29 A CA 3.021 55.025 52.037 -0.055 0.000 0.624 29 A CB -0.674 18.330 19.000 0.007 0.000 0.822 29 A HN -0.222 7.819 8.150 -0.182 0.000 0.444 30 M N -1.122 118.432 119.600 -0.077 0.000 2.086 30 M HA -0.375 4.075 4.480 -0.050 0.000 0.261 30 M C 2.033 178.320 176.300 -0.021 0.000 1.067 30 M CA 2.995 58.259 55.300 -0.060 0.000 1.116 30 M CB -0.424 32.127 32.600 -0.081 0.000 1.348 30 M HN -0.305 7.926 8.290 -0.097 0.000 0.407 31 T N 2.191 116.705 114.554 -0.067 0.000 2.708 31 T HA -0.450 3.973 4.350 0.122 0.000 0.266 31 T C 1.971 176.801 174.700 0.216 0.000 1.037 31 T CA 5.302 67.424 62.100 0.037 0.000 1.146 31 T CB 0.029 68.836 68.868 -0.101 0.000 0.865 31 T HN -0.176 7.971 8.240 -0.154 0.000 0.435 32 Y N -0.185 120.176 120.300 0.102 0.000 2.128 32 Y HA -0.371 4.251 4.550 0.119 0.000 0.284 32 Y C 2.128 178.097 175.900 0.115 0.000 1.154 32 Y CA 1.296 59.458 58.100 0.103 0.000 1.149 32 Y CB -1.318 37.175 38.460 0.055 0.000 0.976 32 Y HN -0.091 8.117 8.280 -0.120 0.000 0.505 33 A N -1.047 121.909 122.820 0.227 0.000 1.908 33 A HA -0.208 4.361 4.320 0.131 -0.171 0.218 33 A C 2.837 180.479 177.584 0.096 0.000 1.181 33 A CA 2.469 54.585 52.037 0.131 0.000 0.627 33 A CB -0.718 18.326 19.000 0.073 0.000 0.818 33 A HN -0.184 8.083 8.150 0.194 0.000 0.445 34 R N -2.893 117.664 120.500 0.095 0.000 2.120 34 R HA -0.282 4.029 4.340 -0.047 0.000 0.234 34 R C 1.581 177.832 176.300 -0.083 0.000 1.123 34 R CA 2.460 58.556 56.100 -0.007 0.000 0.975 34 R CB 0.093 30.381 30.300 -0.021 0.000 0.866 34 R HN -0.533 7.808 8.270 0.119 0.000 0.446 35 Y N -3.460 116.872 120.300 0.054 0.000 2.493 35 Y HA 0.067 4.810 4.550 0.030 -0.176 0.275 35 Y C -0.323 175.602 175.900 0.041 0.000 1.183 35 Y CA 0.240 58.370 58.100 0.051 0.000 1.258 35 Y CB 0.176 38.685 38.460 0.082 0.000 1.108 35 Y HN -0.716 7.672 8.280 0.381 0.121 0.521 36 G N -3.049 105.825 108.800 0.122 0.000 2.201 36 G HA2 -0.424 3.564 3.960 0.046 0.000 0.212 36 G HA3 -0.424 3.784 3.960 0.069 -0.206 0.212 36 G C -0.848 174.098 174.900 0.076 0.000 0.994 36 G CA -0.491 44.654 45.100 0.074 0.000 0.644 36 G HN -0.394 7.784 8.290 0.111 0.178 0.508 37 A N 1.904 124.785 122.820 0.102 0.000 2.445 37 A HA 0.140 4.734 4.320 0.043 -0.249 0.242 37 A C -0.726 176.904 177.584 0.077 0.000 1.075 37 A CA -0.274 51.806 52.037 0.071 0.000 0.777 37 A CB 0.791 19.831 19.000 0.068 0.000 1.013 37 A HN -0.350 7.885 8.150 0.142 0.000 0.493 38 T N 5.055 119.648 114.554 0.065 0.000 2.739 38 T HA 0.008 4.421 4.350 0.106 0.000 0.298 38 T C -1.214 173.529 174.700 0.071 0.000 0.929 38 T CA 0.615 62.773 62.100 0.096 0.000 1.014 38 T CB 0.050 69.000 68.868 0.137 0.000 0.914 38 T HN -0.106 8.164 8.240 0.050 0.000 0.509 39 V N 8.095 128.064 119.914 0.092 0.000 2.472 39 V HA 0.531 4.883 4.120 0.054 -0.200 0.290 39 V C -1.367 174.770 176.094 0.072 0.000 1.037 39 V CA -1.478 60.872 62.300 0.083 0.000 0.908 39 V CB 1.974 33.874 31.823 0.129 0.000 0.985 39 V HN 0.455 8.710 8.190 0.110 0.000 0.454 40 I N 4.787 125.370 120.570 0.023 0.000 2.378 40 I HA 0.345 4.748 4.170 0.121 -0.161 0.291 40 I C -1.124 175.069 176.117 0.127 0.000 0.992 40 I CA -1.359 59.977 61.300 0.060 0.000 1.154 40 I CB 2.239 40.189 38.000 -0.084 0.000 1.315 40 I HN 0.302 8.509 8.210 -0.004 0.000 0.448 41 L N 5.838 127.188 121.223 0.210 0.000 2.307 41 L HA 0.546 5.098 4.340 0.145 -0.125 0.282 41 L C -1.645 175.375 176.870 0.250 0.000 1.051 41 L CA -1.037 53.922 54.840 0.199 0.000 0.804 41 L CB 1.470 43.649 42.059 0.199 0.000 1.197 41 L HN 0.441 8.825 8.230 0.256 0.000 0.431 42 L N 2.693 124.022 121.223 0.178 0.000 2.386 42 L HA 0.990 5.687 4.340 0.249 -0.207 0.271 42 L C -1.609 175.343 176.870 0.137 0.000 0.993 42 L CA -1.789 53.161 54.840 0.184 0.000 0.819 42 L CB 4.248 46.386 42.059 0.132 0.000 1.294 42 L HN 0.123 8.434 8.230 0.134 0.000 0.414 43 G N 2.294 111.179 108.800 0.141 0.000 2.495 43 G HA2 0.421 4.436 3.960 0.093 0.000 0.294 43 G HA3 0.421 4.427 3.960 0.078 0.000 0.294 43 G C -1.444 173.515 174.900 0.098 0.000 1.397 43 G CA 0.561 45.720 45.100 0.099 0.000 0.790 43 G HN -0.332 8.061 8.290 0.172 0.000 0.486 44 R N -1.684 118.859 120.500 0.072 0.000 2.265 44 R HA -0.085 4.303 4.340 0.080 0.000 0.194 44 R C -0.544 175.789 176.300 0.054 0.000 0.931 44 R CA 1.046 57.187 56.100 0.067 0.000 1.032 44 R CB 0.334 30.669 30.300 0.057 0.000 0.980 44 R HN 0.500 8.807 8.270 0.061 0.000 0.497 45 N N 0.167 118.887 118.700 0.033 0.000 2.609 45 N HA 0.193 4.943 4.740 0.016 0.000 0.234 45 N C -0.518 174.980 175.510 -0.021 0.000 1.001 45 N CA -0.987 52.067 53.050 0.007 0.000 0.926 45 N CB 0.533 39.014 38.487 -0.010 0.000 1.130 45 N HN -0.463 7.934 8.380 0.029 0.000 0.510 46 E N 5.758 125.963 120.200 0.008 0.000 2.085 46 E HA -0.460 3.890 4.350 0.000 0.000 0.194 46 E C 1.269 177.792 176.600 -0.128 0.000 0.994 46 E CA 4.033 60.431 56.400 -0.003 0.000 0.801 46 E CB 0.087 29.848 29.700 0.101 0.000 0.743 46 E HN 0.635 9.015 8.360 0.033 0.000 0.453 47 E N -1.518 118.633 120.200 -0.081 0.000 2.038 47 E HA -0.282 4.007 4.350 -0.103 0.000 0.195 47 E C 2.535 179.034 176.600 -0.169 0.000 1.000 47 E CA 3.466 59.803 56.400 -0.104 0.000 0.803 47 E CB -0.801 28.865 29.700 -0.056 0.000 0.750 47 E HN 0.475 8.809 8.360 -0.043 0.000 0.448 48 K N -1.025 119.289 120.400 -0.142 0.000 2.148 48 K HA -0.225 4.014 4.320 -0.136 0.000 0.204 48 K C 2.558 179.021 176.600 -0.229 0.000 1.050 48 K CA 2.770 58.969 56.287 -0.147 0.000 0.942 48 K CB -0.298 32.148 32.500 -0.090 0.000 0.724 48 K HN -0.563 7.622 8.250 -0.108 0.000 0.446 49 L N -0.997 120.039 121.223 -0.312 0.000 2.056 49 L HA -0.387 3.774 4.340 -0.298 0.000 0.207 49 L C 1.669 178.019 176.870 -0.866 0.000 1.078 49 L CA 3.204 57.764 54.840 -0.466 0.000 0.749 49 L CB -0.464 41.327 42.059 -0.447 0.000 0.901 49 L HN -0.174 7.893 8.230 -0.273 0.000 0.433 50 R N -1.106 118.728 120.500 -1.109 0.000 2.091 50 R HA -0.506 2.543 4.340 -2.153 0.000 0.238 50 R C 2.240 178.202 176.300 -0.563 0.000 1.136 50 R CA 3.964 59.334 56.100 -1.217 0.000 0.959 50 R CB -0.124 29.782 30.300 -0.655 0.000 0.856 50 R HN -0.146 7.588 8.270 -0.893 0.000 0.437 51 Q N -1.483 118.108 119.800 -0.348 0.000 2.079 51 Q HA -0.238 4.014 4.340 -0.147 0.000 0.200 51 Q C 3.038 178.965 176.000 -0.123 0.000 0.974 51 Q CA 2.890 58.583 55.803 -0.183 0.000 0.840 51 Q CB 0.076 28.731 28.738 -0.138 0.000 0.898 51 Q HN -0.644 7.420 8.270 -0.343 0.000 0.430 52 V N 1.141 120.967 119.914 -0.147 0.000 2.343 52 V HA -0.533 3.599 4.120 0.021 0.000 0.247 52 V C 1.586 177.661 176.094 -0.032 0.000 1.051 52 V CA 4.121 66.391 62.300 -0.051 0.000 1.036 52 V CB -0.194 31.594 31.823 -0.059 0.000 0.654 52 V HN -0.143 7.925 8.190 -0.203 0.000 0.451 53 A N -0.833 121.917 122.820 -0.116 0.000 1.902 53 A HA -0.387 3.965 4.320 0.054 0.000 0.217 53 A C 1.764 179.368 177.584 0.034 0.000 1.181 53 A CA 3.472 55.508 52.037 -0.001 0.000 0.623 53 A CB -0.633 18.405 19.000 0.063 0.000 0.818 53 A HN 0.108 8.108 8.150 -0.251 0.000 0.443 54 S N -1.019 114.678 115.700 -0.005 0.000 2.383 54 S HA -0.342 4.162 4.470 0.056 0.000 0.227 54 S C 1.623 176.267 174.600 0.073 0.000 1.026 54 S CA 3.249 61.472 58.200 0.037 0.000 0.981 54 S CB -0.967 62.240 63.200 0.012 0.000 0.818 54 S HN -0.449 7.816 8.310 -0.075 0.000 0.472 55 H N 3.887 122.937 119.070 -0.034 0.000 2.353 55 H HA -0.249 4.294 4.556 -0.022 0.000 0.300 55 H C 2.017 177.339 175.328 -0.010 0.000 1.090 55 H CA 3.298 59.330 56.048 -0.026 0.000 1.327 55 H CB 0.489 30.229 29.762 -0.038 0.000 1.383 55 H HN -0.686 7.677 8.280 0.137 0.000 0.508 56 I N -0.921 119.580 120.570 -0.115 0.000 2.226 56 I HA -0.484 3.518 4.170 -0.280 0.000 0.245 56 I C 2.187 178.253 176.117 -0.085 0.000 1.100 56 I CA 4.116 65.323 61.300 -0.155 0.000 1.374 56 I CB -0.034 37.936 38.000 -0.051 0.000 1.057 56 I HN 0.003 8.202 8.210 -0.018 0.000 0.413 57 N N 0.281 118.972 118.700 -0.016 0.000 2.104 57 N HA -0.371 4.555 4.740 0.010 -0.180 0.190 57 N C 2.308 177.812 175.510 -0.009 0.000 1.024 57 N CA 3.396 56.450 53.050 0.007 0.000 0.853 57 N CB 0.331 38.843 38.487 0.041 0.000 1.008 57 N HN -0.251 8.134 8.380 0.008 0.000 0.424 58 E N -0.771 119.424 120.200 -0.007 0.000 2.106 58 E HA -0.179 4.176 4.350 0.009 0.000 0.192 58 E C 1.857 178.439 176.600 -0.029 0.000 0.984 58 E CA 2.715 59.117 56.400 0.003 0.000 0.806 58 E CB -0.322 29.407 29.700 0.049 0.000 0.750 58 E HN -0.268 8.092 8.360 0.001 0.000 0.458 59 E N -2.865 117.278 120.200 -0.095 0.000 2.318 59 E HA 0.019 4.328 4.350 -0.069 0.000 0.193 59 E C 1.638 178.187 176.600 -0.085 0.000 0.998 59 E CA 1.408 57.740 56.400 -0.112 0.000 0.859 59 E CB 0.572 30.128 29.700 -0.241 0.000 0.812 59 E HN -0.367 7.907 8.360 -0.143 0.000 0.492 60 T N -7.337 107.174 114.554 -0.072 0.000 2.969 60 T HA 0.270 4.588 4.350 -0.054 0.000 0.258 60 T C 0.990 175.674 174.700 -0.027 0.000 0.962 60 T CA -0.785 61.285 62.100 -0.050 0.000 0.903 60 T CB 2.516 71.358 68.868 -0.042 0.000 1.177 60 T HN -0.289 7.908 8.240 -0.071 0.000 0.511 61 G N 2.742 111.531 108.800 -0.018 0.000 2.175 61 G HA2 -0.315 3.694 3.960 -0.003 0.000 0.244 61 G HA3 -0.315 3.641 3.960 -0.007 0.000 0.244 61 G C -0.893 174.011 174.900 0.008 0.000 0.982 61 G CA 0.086 45.183 45.100 -0.005 0.000 0.641 61 G HN 0.056 8.228 8.290 -0.022 0.105 0.527 62 R N -0.355 120.153 120.500 0.014 0.000 2.621 62 R HA 0.275 4.634 4.340 0.031 0.000 0.292 62 R C -1.726 174.603 176.300 0.049 0.000 0.969 62 R CA -1.773 54.346 56.100 0.032 0.000 0.887 62 R CB 1.660 31.983 30.300 0.037 0.000 1.180 62 R HN -0.765 7.453 8.270 0.008 0.057 0.450 63 Q N 4.434 124.274 119.800 0.066 0.000 2.340 63 Q HA 0.375 4.773 4.340 0.097 0.000 0.259 63 Q C -1.923 174.156 176.000 0.131 0.000 0.964 63 Q CA -2.685 53.178 55.803 0.099 0.000 0.900 63 Q CB 1.263 30.065 28.738 0.107 0.000 1.228 63 Q HN 0.271 8.577 8.270 0.060 0.000 0.449 64 P HA -0.048 4.577 4.420 0.172 -0.102 0.269 64 P C -0.793 176.657 177.300 0.250 0.000 1.209 64 P CA -0.370 62.846 63.100 0.193 0.000 0.776 64 P CB 0.972 32.784 31.700 0.187 0.000 0.876 65 Q N 0.660 120.565 119.800 0.175 0.000 2.260 65 Q HA 0.163 4.393 4.340 -0.182 0.000 0.238 65 Q C -0.798 175.265 176.000 0.105 0.000 0.948 65 Q CA -0.236 55.557 55.803 -0.017 0.000 0.895 65 Q CB 2.487 31.187 28.738 -0.063 0.000 1.218 65 Q HN 0.211 8.596 8.270 0.192 0.000 0.470 66 W N -2.043 119.112 121.300 -0.241 0.000 2.962 66 W HA 1.011 5.855 4.660 -0.021 -0.196 0.341 66 W C -1.755 174.473 176.519 -0.484 0.000 1.155 66 W CA -2.304 54.933 57.345 -0.181 0.000 1.165 66 W CB 2.497 31.914 29.460 -0.072 0.000 1.435 66 W HN 0.079 7.742 8.180 -0.862 0.000 0.546 67 F N -1.329 118.751 119.950 0.217 0.000 2.599 67 F HA 0.272 4.845 4.527 0.077 0.000 0.311 67 F C -1.131 174.770 175.800 0.169 0.000 1.076 67 F CA -1.521 56.552 58.000 0.122 0.000 0.937 67 F CB 4.159 43.191 39.000 0.053 0.000 1.282 67 F HN 0.287 8.859 8.300 0.454 0.000 0.460 68 I N 1.940 122.698 120.570 0.314 0.000 2.336 68 I HA 0.815 5.335 4.170 0.211 -0.223 0.292 68 I C -0.929 175.289 176.117 0.168 0.000 0.991 68 I CA -1.908 59.522 61.300 0.217 0.000 1.227 68 I CB 0.873 38.978 38.000 0.175 0.000 1.366 68 I HN 0.217 8.609 8.210 0.305 0.000 0.466 69 L N 6.277 127.580 121.223 0.134 0.000 2.526 69 L HA 0.206 4.601 4.340 0.090 0.000 0.263 69 L C -2.274 174.647 176.870 0.086 0.000 0.943 69 L CA -0.220 54.680 54.840 0.099 0.000 0.859 69 L CB 3.528 45.641 42.059 0.089 0.000 1.313 69 L HN 0.202 8.513 8.230 0.134 0.000 0.406 70 D N 4.982 125.425 120.400 0.072 0.000 2.427 70 D HA 0.194 4.874 4.640 0.067 0.000 0.226 70 D C 0.213 176.549 176.300 0.061 0.000 1.076 70 D CA -1.397 52.642 54.000 0.065 0.000 0.849 70 D CB 0.330 41.164 40.800 0.057 0.000 1.052 70 D HN 0.106 8.516 8.370 0.068 0.000 0.515 71 L N 4.491 125.754 121.223 0.066 0.000 2.265 71 L HA -0.196 4.181 4.340 0.061 0.000 0.215 71 L C 1.696 178.601 176.870 0.059 0.000 1.117 71 L CA 2.001 56.879 54.840 0.064 0.000 0.782 71 L CB -0.081 42.022 42.059 0.073 0.000 0.914 71 L HN 0.589 8.861 8.230 0.070 0.000 0.441 72 L N -4.057 117.200 121.223 0.057 0.000 2.141 72 L HA -0.130 4.242 4.340 0.054 0.000 0.209 72 L C 0.744 177.645 176.870 0.050 0.000 1.094 72 L CA 2.316 57.187 54.840 0.053 0.000 0.763 72 L CB 0.448 42.537 42.059 0.050 0.000 0.908 72 L HN -0.575 7.891 8.230 0.057 -0.202 0.437 73 T N -7.514 107.069 114.554 0.048 0.000 3.004 73 T HA 0.064 4.441 4.350 0.045 0.000 0.266 73 T C 0.420 175.145 174.700 0.043 0.000 0.986 73 T CA -0.987 61.140 62.100 0.045 0.000 0.902 73 T CB 1.004 69.897 68.868 0.042 0.000 1.118 73 T HN -0.743 7.507 8.240 0.049 0.019 0.522 74 C N 2.824 122.150 119.300 0.044 0.000 2.689 74 C HA 0.122 4.754 4.460 0.038 -0.150 0.409 74 C C 0.192 175.203 174.990 0.034 0.000 1.293 74 C CA -0.921 58.120 59.018 0.039 0.000 2.136 74 C CB 2.108 29.871 27.740 0.038 0.000 2.719 74 C HN -0.374 7.884 8.230 0.047 0.000 0.644 75 T N -2.369 112.202 114.554 0.028 0.000 2.912 75 T HA 0.216 4.584 4.350 0.030 0.000 0.280 75 T C 0.627 175.331 174.700 0.008 0.000 0.989 75 T CA -2.097 60.017 62.100 0.024 0.000 0.995 75 T CB 2.896 71.778 68.868 0.023 0.000 1.077 75 T HN 0.001 8.577 8.240 0.026 -0.320 0.531 76 S N 0.984 116.686 115.700 0.002 0.000 2.383 76 S HA -0.432 4.008 4.470 -0.051 0.000 0.229 76 S C 1.605 176.191 174.600 -0.023 0.000 1.030 76 S CA 3.713 61.897 58.200 -0.027 0.000 1.002 76 S CB -0.408 62.778 63.200 -0.023 0.000 0.829 76 S HN 0.621 8.939 8.310 0.014 0.000 0.467 77 E N 2.172 122.368 120.200 -0.005 0.000 2.110 77 E HA -0.275 4.070 4.350 -0.008 0.000 0.193 77 E C 1.876 178.474 176.600 -0.005 0.000 0.988 77 E CA 2.916 59.313 56.400 -0.004 0.000 0.804 77 E CB -0.583 29.121 29.700 0.006 0.000 0.745 77 E HN 0.229 8.591 8.360 0.003 0.000 0.458 78 N N -0.092 118.610 118.700 0.002 0.000 2.104 78 N HA -0.293 4.454 4.740 0.011 0.000 0.190 78 N C 2.470 177.975 175.510 -0.007 0.000 1.024 78 N CA 3.097 56.152 53.050 0.007 0.000 0.853 78 N CB -0.115 38.383 38.487 0.019 0.000 1.008 78 N HN -0.235 8.149 8.380 0.006 0.000 0.424 79 C N -0.192 119.096 119.300 -0.020 0.000 2.446 79 C HA -0.456 3.983 4.460 -0.035 0.000 0.277 79 C C 1.691 176.648 174.990 -0.055 0.000 1.275 79 C CA 5.072 64.066 59.018 -0.040 0.000 1.727 79 C CB -0.257 27.450 27.740 -0.055 0.000 2.010 79 C HN -0.468 7.664 8.230 -0.020 0.086 0.486 80 Q N -0.387 119.385 119.800 -0.047 0.000 2.124 80 Q HA -0.391 3.916 4.340 -0.056 0.000 0.202 80 Q C 2.727 178.700 176.000 -0.044 0.000 0.977 80 Q CA 3.228 59.003 55.803 -0.046 0.000 0.850 80 Q CB -0.338 28.380 28.738 -0.033 0.000 0.901 80 Q HN -0.170 8.076 8.270 -0.041 0.000 0.429 81 Q N -1.202 118.580 119.800 -0.031 0.000 2.084 81 Q HA -0.286 4.041 4.340 -0.021 0.000 0.202 81 Q C 2.415 178.386 176.000 -0.048 0.000 0.978 81 Q CA 2.608 58.396 55.803 -0.024 0.000 0.844 81 Q CB -0.325 28.411 28.738 -0.002 0.000 0.898 81 Q HN -0.143 8.113 8.270 -0.023 0.000 0.426 82 L N -0.065 121.117 121.223 -0.068 0.000 2.012 82 L HA -0.380 3.871 4.340 -0.149 0.000 0.210 82 L C 1.331 178.063 176.870 -0.230 0.000 1.073 82 L CA 3.254 58.005 54.840 -0.150 0.000 0.748 82 L CB -0.702 41.279 42.059 -0.130 0.000 0.891 82 L HN -0.267 7.932 8.230 -0.051 0.000 0.431 83 A N -2.459 120.266 122.820 -0.159 0.000 1.940 83 A HA -0.445 3.761 4.320 -0.190 0.000 0.219 83 A C 2.042 179.554 177.584 -0.119 0.000 1.176 83 A CA 3.122 55.069 52.037 -0.150 0.000 0.631 83 A CB -0.987 17.951 19.000 -0.103 0.000 0.814 83 A HN -0.314 7.763 8.150 -0.122 0.000 0.446 84 Q N -1.500 118.250 119.800 -0.083 0.000 2.084 84 Q HA -0.361 3.955 4.340 -0.039 0.000 0.202 84 Q C 2.551 178.525 176.000 -0.043 0.000 0.978 84 Q CA 3.251 59.025 55.803 -0.048 0.000 0.844 84 Q CB -0.042 28.679 28.738 -0.027 0.000 0.898 84 Q HN -0.410 7.735 8.270 -0.076 0.079 0.426 85 R N -1.467 118.994 120.500 -0.066 0.000 2.073 85 R HA -0.280 4.091 4.340 0.052 0.000 0.234 85 R C 2.827 179.109 176.300 -0.029 0.000 1.134 85 R CA 2.358 58.452 56.100 -0.010 0.000 0.952 85 R CB -0.439 29.880 30.300 0.031 0.000 0.850 85 R HN -0.436 7.781 8.270 -0.089 0.000 0.433 86 I N -0.938 119.488 120.570 -0.241 0.000 2.208 86 I HA -0.484 3.698 4.170 0.021 0.000 0.245 86 I C 1.627 177.813 176.117 0.115 0.000 1.097 86 I CA 3.953 65.187 61.300 -0.110 0.000 1.363 86 I CB -0.270 37.547 38.000 -0.305 0.000 1.051 86 I HN -0.130 7.867 8.210 -0.355 0.000 0.413 87 A N -2.744 120.087 122.820 0.018 0.000 2.067 87 A HA -0.117 4.411 4.320 0.056 -0.174 0.219 87 A C 1.166 178.769 177.584 0.033 0.000 1.158 87 A CA 1.973 54.029 52.037 0.033 0.000 0.661 87 A CB -0.365 18.633 19.000 -0.004 0.000 0.801 87 A HN -0.418 7.712 8.150 -0.034 0.000 0.452 88 V N -2.369 117.565 119.914 0.033 0.000 2.427 88 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 88 V C 0.697 176.776 176.094 -0.025 0.000 1.051 88 V CA 1.930 64.236 62.300 0.010 0.000 1.048 88 V CB 0.043 31.878 31.823 0.021 0.000 0.666 88 V HN -0.771 7.419 8.190 0.039 0.023 0.456 89 N N -2.723 115.961 118.700 -0.027 0.000 2.322 89 N HA 0.086 4.678 4.740 -0.246 0.000 0.181 89 N C -1.067 174.119 175.510 -0.540 0.000 1.088 89 N CA 0.778 53.662 53.050 -0.276 0.000 0.885 89 N CB 1.806 40.090 38.487 -0.339 0.000 1.013 89 N HN -0.577 7.827 8.380 0.068 0.017 0.472 90 Y N -1.431 118.872 120.300 0.004 0.000 2.457 90 Y HA 0.405 4.953 4.550 -0.002 0.000 0.343 90 Y C -2.154 173.733 175.900 -0.022 0.000 0.994 90 Y CA -2.895 55.200 58.100 -0.007 0.000 1.031 90 Y CB 1.796 40.252 38.460 -0.007 0.000 1.246 90 Y HN -0.370 7.988 8.280 0.130 0.000 0.449 91 P HA 0.058 4.498 4.420 0.034 0.000 0.245 91 P C -2.039 175.283 177.300 0.038 0.000 1.206 91 P CA 0.309 63.438 63.100 0.048 0.000 0.781 91 P CB 0.610 32.325 31.700 0.025 0.000 0.994 92 R N -6.959 113.571 120.500 0.050 0.000 2.752 92 R HA 0.118 4.451 4.340 -0.011 0.000 0.277 92 R C -2.541 173.745 176.300 -0.022 0.000 1.024 92 R CA -1.483 54.617 56.100 0.002 0.000 0.866 92 R CB 2.140 32.434 30.300 -0.010 0.000 1.278 92 R HN -0.931 7.347 8.270 0.093 0.047 0.473 93 L N -0.860 120.322 121.223 -0.070 0.000 2.349 93 L HA 0.343 4.613 4.340 -0.116 0.000 0.278 93 L C -0.933 175.869 176.870 -0.114 0.000 0.996 93 L CA -0.974 53.798 54.840 -0.113 0.000 0.825 93 L CB 3.043 45.011 42.059 -0.151 0.000 1.243 93 L HN 0.179 8.256 8.230 -0.072 0.110 0.412 94 D N 2.216 122.547 120.400 -0.115 0.000 2.289 94 D HA 0.018 4.591 4.640 -0.112 0.000 0.207 94 D C 0.172 176.373 176.300 -0.166 0.000 0.966 94 D CA 2.027 55.952 54.000 -0.125 0.000 0.868 94 D CB 1.341 42.075 40.800 -0.110 0.000 0.943 94 D HN 0.183 8.486 8.370 -0.111 0.000 0.514 95 G N -3.830 104.856 108.800 -0.190 0.000 2.733 95 G HA2 0.639 4.695 3.960 -0.217 0.000 0.297 95 G HA3 0.639 4.448 3.960 -0.251 0.000 0.297 95 G C -3.323 171.441 174.900 -0.226 0.000 1.422 95 G CA 0.152 45.118 45.100 -0.223 0.000 0.942 95 G HN -0.647 7.533 8.290 -0.183 0.000 0.510 96 V N 2.160 121.921 119.914 -0.257 0.000 2.525 96 V HA 0.494 4.625 4.120 -0.275 -0.176 0.299 96 V C -2.561 173.331 176.094 -0.338 0.000 1.034 96 V CA -1.161 60.946 62.300 -0.322 0.000 0.863 96 V CB 3.828 35.395 31.823 -0.426 0.000 0.999 96 V HN 0.404 8.438 8.190 -0.259 0.000 0.423 97 L N 8.284 129.374 121.223 -0.221 0.000 2.277 97 L HA 0.530 4.938 4.340 -0.111 -0.134 0.284 97 L C -2.307 174.491 176.870 -0.119 0.000 1.028 97 L CA -1.820 52.965 54.840 -0.090 0.000 0.835 97 L CB 1.891 44.045 42.059 0.159 0.000 1.215 97 L HN 0.695 8.826 8.230 -0.166 0.000 0.425 98 H N 7.988 127.021 119.070 -0.062 0.000 3.008 98 H HA 0.293 4.856 4.556 0.011 0.000 0.268 98 H C -0.250 175.132 175.328 0.091 0.000 1.323 98 H CA 0.189 56.235 56.048 -0.004 0.000 1.401 98 H CB -0.521 29.215 29.762 -0.043 0.000 1.556 98 H HN 0.753 8.963 8.280 -0.117 0.000 0.502 99 N N 5.382 124.208 118.700 0.210 0.000 2.368 99 N HA 0.099 4.975 4.740 0.226 0.000 0.178 99 N C -0.370 175.246 175.510 0.176 0.000 1.076 99 N CA 0.295 53.464 53.050 0.198 0.000 0.889 99 N CB 1.529 40.114 38.487 0.163 0.000 1.040 99 N HN -0.426 8.058 8.380 0.173 0.000 0.463 100 A N 1.388 124.308 122.820 0.168 0.000 2.520 100 A HA -0.058 4.338 4.320 0.126 0.000 0.235 100 A C -1.244 176.432 177.584 0.154 0.000 1.065 100 A CA 1.433 53.557 52.037 0.145 0.000 0.764 100 A CB 0.610 19.692 19.000 0.137 0.000 1.002 100 A HN -0.600 7.657 8.150 0.177 0.000 0.502 101 G N -1.295 107.592 108.800 0.145 0.000 2.489 101 G HA2 0.184 4.385 3.960 0.149 0.000 0.291 101 G HA3 0.184 4.273 3.960 0.215 0.000 0.291 101 G C -2.257 172.738 174.900 0.158 0.000 1.487 101 G CA 0.086 45.288 45.100 0.170 0.000 0.795 101 G HN -0.184 8.183 8.290 0.129 0.000 0.513 102 L N 0.429 121.758 121.223 0.176 0.000 2.341 102 L HA 0.395 4.796 4.340 0.102 0.000 0.278 102 L C -1.230 175.760 176.870 0.199 0.000 1.005 102 L CA -1.159 53.763 54.840 0.138 0.000 0.818 102 L CB 2.513 44.629 42.059 0.094 0.000 1.259 102 L HN 0.071 8.726 8.230 0.189 -0.311 0.418 103 L N 3.318 124.577 121.223 0.060 0.000 2.095 103 L HA -0.092 4.101 4.340 -0.246 0.000 0.204 103 L C 0.059 176.920 176.870 -0.014 0.000 1.080 103 L CA 0.553 55.334 54.840 -0.098 0.000 0.759 103 L CB 0.951 42.886 42.059 -0.208 0.000 0.914 103 L HN 0.463 8.708 8.230 0.024 0.000 0.439 104 G N -4.474 104.318 108.800 -0.013 0.000 2.562 104 G HA2 -0.443 3.515 3.960 -0.004 0.000 0.250 104 G HA3 -0.443 3.522 3.960 0.009 0.000 0.250 104 G C -1.199 173.656 174.900 -0.075 0.000 1.269 104 G CA -0.309 44.782 45.100 -0.015 0.000 0.919 104 G HN -0.313 7.972 8.290 -0.008 0.000 0.574 105 D N 2.718 123.084 120.400 -0.056 0.000 2.308 105 D HA 0.070 4.639 4.640 -0.118 0.000 0.251 105 D C -0.256 175.921 176.300 -0.206 0.000 1.127 105 D CA 0.597 54.537 54.000 -0.100 0.000 0.876 105 D CB 0.500 41.282 40.800 -0.029 0.000 1.176 105 D HN 0.138 8.501 8.370 -0.011 0.000 0.446 106 V N 3.080 122.797 119.914 -0.327 0.000 2.277 106 V HA 0.261 4.218 4.120 -0.577 -0.183 0.269 106 V C -0.652 175.227 176.094 -0.358 0.000 1.036 106 V CA -0.546 61.434 62.300 -0.534 0.000 0.821 106 V CB 0.033 31.336 31.823 -0.866 0.000 1.052 106 V HN 0.244 8.255 8.190 -0.298 0.000 0.462 107 C N 3.275 122.426 119.300 -0.249 0.000 3.231 107 C HA 0.410 4.780 4.460 -0.151 0.000 0.343 107 C C -2.688 172.259 174.990 -0.071 0.000 1.349 107 C CA -3.506 55.427 59.018 -0.141 0.000 1.209 107 C CB 0.962 28.643 27.740 -0.098 0.000 1.475 107 C HN 0.213 8.303 8.230 -0.234 0.000 0.460 108 P HA 0.049 4.474 4.420 0.010 0.000 0.270 108 P C 0.307 177.620 177.300 0.021 0.000 1.223 108 P CA -0.195 62.904 63.100 -0.001 0.000 0.785 108 P CB 0.425 32.123 31.700 -0.003 0.000 0.923 109 M N 1.630 121.256 119.600 0.042 0.000 2.202 109 M HA -0.330 4.202 4.480 0.087 0.000 0.262 109 M C 1.441 177.742 176.300 0.001 0.000 1.063 109 M CA 3.276 58.603 55.300 0.046 0.000 1.097 109 M CB -1.460 31.164 32.600 0.040 0.000 1.382 109 M HN 0.357 8.674 8.290 0.045 0.000 0.413 110 S N -1.402 114.294 115.700 -0.007 0.000 2.447 110 S HA -0.122 4.328 4.470 -0.033 0.000 0.233 110 S C 0.588 175.177 174.600 -0.018 0.000 1.006 110 S CA 2.325 60.513 58.200 -0.021 0.000 0.957 110 S CB -0.972 62.218 63.200 -0.017 0.000 0.773 110 S HN 0.104 8.399 8.310 -0.001 0.014 0.507 111 E N -1.190 119.005 120.200 -0.008 0.000 2.489 111 E HA 0.145 4.488 4.350 -0.012 0.000 0.204 111 E C -0.259 176.345 176.600 0.006 0.000 1.006 111 E CA -0.712 55.683 56.400 -0.009 0.000 0.936 111 E CB 0.304 29.994 29.700 -0.016 0.000 1.002 111 E HN -0.402 7.793 8.360 -0.003 0.163 0.488 112 Q N -0.001 119.817 119.800 0.030 0.000 2.286 112 Q HA -0.297 4.089 4.340 0.077 0.000 0.290 112 Q C 0.122 176.161 176.000 0.066 0.000 1.049 112 Q CA 0.755 56.607 55.803 0.083 0.000 0.923 112 Q CB -0.062 28.790 28.738 0.190 0.000 1.183 112 Q HN -0.715 7.573 8.270 0.031 0.000 0.383 113 N N 6.328 125.075 118.700 0.079 0.000 2.470 113 N HA 0.221 4.982 4.740 0.035 0.000 0.268 113 N C -0.810 174.763 175.510 0.104 0.000 1.136 113 N CA -1.408 51.680 53.050 0.064 0.000 0.961 113 N CB 1.995 40.513 38.487 0.052 0.000 1.067 113 N HN 0.266 9.065 8.380 0.081 -0.370 0.468 114 P HA -0.211 4.232 4.420 0.040 0.000 0.218 114 P C 1.190 178.562 177.300 0.120 0.000 1.149 114 P CA 2.438 65.568 63.100 0.050 0.000 0.817 114 P CB 0.395 32.079 31.700 -0.026 0.000 0.785 115 Q N -1.906 117.948 119.800 0.091 0.000 2.083 115 Q HA -0.238 4.160 4.340 0.098 0.000 0.198 115 Q C 2.057 178.130 176.000 0.121 0.000 0.969 115 Q CA 2.724 58.583 55.803 0.094 0.000 0.838 115 Q CB -0.655 28.119 28.738 0.060 0.000 0.900 115 Q HN -0.447 8.024 8.270 0.067 -0.161 0.436 116 V N 0.567 120.553 119.914 0.120 0.000 2.343 116 V HA -0.459 3.712 4.120 0.086 0.000 0.247 116 V C 1.501 177.693 176.094 0.163 0.000 1.051 116 V CA 3.991 66.359 62.300 0.114 0.000 1.036 116 V CB -0.338 31.536 31.823 0.086 0.000 0.654 116 V HN -0.380 8.159 8.190 0.107 -0.285 0.451 117 W N 0.004 121.318 121.300 0.024 0.000 2.333 117 W HA -0.488 4.199 4.660 0.044 0.000 0.316 117 W C 1.469 178.009 176.519 0.035 0.000 1.215 117 W CA 4.200 61.564 57.345 0.032 0.000 1.278 117 W CB -0.354 29.119 29.460 0.021 0.000 1.154 117 W HN -0.049 8.349 8.180 0.364 0.000 0.486 118 Q N -1.182 118.845 119.800 0.379 0.000 2.096 118 Q HA -0.485 4.037 4.340 0.305 0.000 0.204 118 Q C 2.065 178.136 176.000 0.117 0.000 0.982 118 Q CA 3.624 59.575 55.803 0.247 0.000 0.850 118 Q CB -0.252 28.596 28.738 0.184 0.000 0.901 118 Q HN -0.520 7.976 8.270 0.376 0.000 0.422 119 D N -0.066 120.391 120.400 0.096 0.000 2.117 119 D HA -0.258 4.419 4.640 0.062 0.000 0.197 119 D C 2.666 178.987 176.300 0.035 0.000 0.987 119 D CA 3.452 57.489 54.000 0.062 0.000 0.829 119 D CB -0.345 40.491 40.800 0.060 0.000 0.961 119 D HN -0.397 8.041 8.370 0.112 0.000 0.460 120 V N 0.821 120.738 119.914 0.005 0.000 2.295 120 V HA -0.572 3.560 4.120 0.020 0.000 0.246 120 V C 1.917 177.970 176.094 -0.068 0.000 1.049 120 V CA 4.435 66.718 62.300 -0.029 0.000 1.024 120 V CB -0.046 31.728 31.823 -0.082 0.000 0.648 120 V HN -0.032 8.163 8.190 0.008 0.000 0.447 121 M N -2.347 117.183 119.600 -0.116 0.000 2.175 121 M HA -0.344 4.064 4.480 -0.120 0.000 0.264 121 M C 2.225 178.521 176.300 -0.007 0.000 1.063 121 M CA 1.786 57.034 55.300 -0.086 0.000 1.119 121 M CB -1.565 30.999 32.600 -0.060 0.000 1.377 121 M HN -0.416 7.791 8.290 -0.138 0.000 0.415 122 Q N 0.044 119.859 119.800 0.026 0.000 2.050 122 Q HA -0.219 4.155 4.340 0.057 0.000 0.202 122 Q C 2.344 178.373 176.000 0.049 0.000 0.980 122 Q CA 3.118 58.950 55.803 0.049 0.000 0.840 122 Q CB -0.544 28.228 28.738 0.058 0.000 0.898 122 Q HN -0.184 8.022 8.270 0.029 0.082 0.424 123 V N -0.270 119.670 119.914 0.043 0.000 2.283 123 V HA -0.516 3.639 4.120 0.058 0.000 0.243 123 V C 2.049 178.170 176.094 0.045 0.000 1.039 123 V CA 4.348 66.679 62.300 0.052 0.000 1.016 123 V CB -0.162 31.698 31.823 0.062 0.000 0.650 123 V HN -0.002 8.211 8.190 0.039 0.000 0.449 124 N N -2.912 115.802 118.700 0.024 0.000 2.300 124 N HA -0.142 4.616 4.740 0.030 0.000 0.179 124 N C 1.247 176.747 175.510 -0.018 0.000 1.016 124 N CA 2.395 55.448 53.050 0.004 0.000 0.876 124 N CB 0.318 38.779 38.487 -0.043 0.000 0.979 124 N HN -0.201 8.187 8.380 0.013 0.000 0.432 125 V N -1.673 118.232 119.914 -0.014 0.000 2.939 125 V HA -0.057 4.042 4.120 -0.036 0.000 0.228 125 V C 0.876 177.010 176.094 0.067 0.000 1.162 125 V CA 2.267 64.559 62.300 -0.012 0.000 1.222 125 V CB 1.128 32.926 31.823 -0.041 0.000 1.053 125 V HN -0.348 7.838 8.190 -0.007 0.000 0.504 126 N N 0.469 119.220 118.700 0.084 0.000 2.106 126 N HA -0.302 4.574 4.740 0.227 0.000 0.188 126 N C 2.159 177.791 175.510 0.203 0.000 1.029 126 N CA 3.227 56.380 53.050 0.172 0.000 0.848 126 N CB -0.651 37.912 38.487 0.127 0.000 1.007 126 N HN -0.378 8.036 8.380 0.057 0.000 0.423 127 A N -0.298 122.588 122.820 0.109 0.000 1.968 127 A HA -0.152 4.204 4.320 0.060 0.000 0.217 127 A C 1.676 179.285 177.584 0.040 0.000 1.169 127 A CA 3.058 55.136 52.037 0.068 0.000 0.638 127 A CB -0.548 18.488 19.000 0.059 0.000 0.812 127 A HN 0.441 8.644 8.150 0.088 0.000 0.446 128 T N 3.205 117.781 114.554 0.037 0.000 2.746 128 T HA -0.404 3.885 4.350 -0.102 0.000 0.267 128 T C 1.366 176.060 174.700 -0.010 0.000 1.039 128 T CA 5.032 67.098 62.100 -0.057 0.000 1.142 128 T CB -0.061 68.765 68.868 -0.070 0.000 0.866 128 T HN -0.642 7.628 8.240 0.050 0.000 0.444 129 F N 3.278 123.215 119.950 -0.022 0.000 2.102 129 F HA -0.345 4.211 4.527 0.049 0.000 0.298 129 F C 0.876 176.703 175.800 0.045 0.000 1.105 129 F CA 3.665 61.677 58.000 0.020 0.000 1.239 129 F CB 0.143 39.142 39.000 -0.001 0.000 0.991 129 F HN -0.064 8.379 8.300 0.238 0.000 0.474 130 M N -1.334 117.957 119.600 -0.514 0.000 2.159 130 M HA -0.457 3.384 4.480 -1.066 0.000 0.263 130 M C 2.100 178.210 176.300 -0.317 0.000 1.063 130 M CA 3.931 58.867 55.300 -0.606 0.000 1.110 130 M CB -0.050 32.409 32.600 -0.234 0.000 1.374 130 M HN -0.376 7.750 8.290 -0.152 0.073 0.411 131 L N 0.139 121.282 121.223 -0.132 0.000 2.056 131 L HA -0.323 3.988 4.340 -0.048 0.000 0.207 131 L C 1.478 178.350 176.870 0.003 0.000 1.078 131 L CA 3.414 58.240 54.840 -0.023 0.000 0.749 131 L CB -0.469 41.645 42.059 0.093 0.000 0.901 131 L HN 0.072 8.247 8.230 -0.092 0.000 0.433 132 T N 0.784 115.370 114.554 0.053 0.000 2.665 132 T HA -0.615 3.822 4.350 0.145 0.000 0.268 132 T C 1.803 176.486 174.700 -0.029 0.000 1.035 132 T CA 5.023 67.181 62.100 0.096 0.000 1.151 132 T CB -0.245 68.754 68.868 0.217 0.000 0.862 132 T HN -0.438 7.826 8.240 0.040 0.000 0.438 133 Q N 0.975 120.681 119.800 -0.157 0.000 2.096 133 Q HA -0.430 3.880 4.340 -0.050 0.000 0.204 133 Q C 2.744 178.683 176.000 -0.101 0.000 0.982 133 Q CA 3.129 58.843 55.803 -0.148 0.000 0.850 133 Q CB -0.099 28.434 28.738 -0.341 0.000 0.901 133 Q HN -0.252 7.844 8.270 -0.290 0.000 0.422 134 A N -1.817 120.931 122.820 -0.120 0.000 2.019 134 A HA -0.186 4.087 4.320 -0.078 0.000 0.219 134 A C 0.932 178.469 177.584 -0.078 0.000 1.164 134 A CA 2.431 54.415 52.037 -0.088 0.000 0.644 134 A CB -0.293 18.653 19.000 -0.090 0.000 0.805 134 A HN -0.511 7.550 8.150 -0.148 0.000 0.449 135 L N -3.519 117.656 121.223 -0.081 0.000 2.585 135 L HA -0.026 4.253 4.340 -0.102 0.000 0.226 135 L C 1.110 177.920 176.870 -0.099 0.000 1.113 135 L CA 0.050 54.831 54.840 -0.097 0.000 0.876 135 L CB 0.194 42.184 42.059 -0.115 0.000 1.072 135 L HN -0.752 7.297 8.230 -0.074 0.136 0.468 136 L N 0.510 121.682 121.223 -0.085 0.000 2.042 136 L HA -0.278 3.965 4.340 -0.161 0.000 0.210 136 L C -1.186 175.637 176.870 -0.078 0.000 1.076 136 L CA 5.634 60.410 54.840 -0.107 0.000 0.749 136 L CB -2.969 39.046 42.059 -0.073 0.000 0.893 136 L HN -0.533 7.656 8.230 -0.068 0.000 0.432 137 P HA -0.224 4.191 4.420 -0.008 0.000 0.215 137 P C 1.716 178.991 177.300 -0.041 0.000 1.153 137 P CA 3.142 66.227 63.100 -0.025 0.000 0.853 137 P CB -0.413 31.277 31.700 -0.016 0.000 0.788 138 L N -4.034 117.153 121.223 -0.059 0.000 2.046 138 L HA -0.297 4.015 4.340 -0.046 0.000 0.208 138 L C 2.630 179.454 176.870 -0.077 0.000 1.077 138 L CA 2.799 57.601 54.840 -0.063 0.000 0.747 138 L CB -0.403 41.608 42.059 -0.080 0.000 0.896 138 L HN -0.765 7.426 8.230 -0.066 0.000 0.432 139 L N -0.284 120.876 121.223 -0.105 0.000 2.083 139 L HA -0.238 4.271 4.340 -0.122 -0.242 0.209 139 L C 2.907 179.717 176.870 -0.100 0.000 1.083 139 L CA 2.772 57.538 54.840 -0.124 0.000 0.752 139 L CB -0.010 41.945 42.059 -0.174 0.000 0.899 139 L HN -0.400 7.762 8.230 -0.113 0.000 0.433 140 L N -5.246 115.930 121.223 -0.078 0.000 2.275 140 L HA -0.247 4.070 4.340 -0.038 0.000 0.215 140 L C 0.839 177.695 176.870 -0.024 0.000 1.119 140 L CA 1.714 56.532 54.840 -0.036 0.000 0.790 140 L CB -0.431 41.631 42.059 0.004 0.000 0.919 140 L HN -0.301 7.883 8.230 -0.078 0.000 0.443 141 K N -4.592 115.789 120.400 -0.031 0.000 2.432 141 K HA -0.111 4.201 4.320 -0.014 0.000 0.196 141 K C 0.096 176.680 176.600 -0.027 0.000 1.038 141 K CA 0.249 56.523 56.287 -0.022 0.000 0.986 141 K CB 0.019 32.508 32.500 -0.018 0.000 0.782 141 K HN -0.717 7.369 8.250 -0.039 0.141 0.485 142 S N -0.972 114.702 115.700 -0.042 0.000 2.584 142 S HA -0.112 4.334 4.470 -0.040 0.000 0.270 142 S C 1.359 175.936 174.600 -0.037 0.000 1.346 142 S CA 0.434 58.606 58.200 -0.046 0.000 1.018 142 S CB 0.883 64.041 63.200 -0.070 0.000 0.899 142 S HN -0.693 7.453 8.310 -0.052 0.133 0.542 143 D N 5.145 125.523 120.400 -0.036 0.000 2.178 143 D HA -0.208 4.419 4.640 -0.023 0.000 0.201 143 D C -0.287 175.991 176.300 -0.037 0.000 0.980 143 D CA 2.307 56.288 54.000 -0.031 0.000 0.842 143 D CB 0.150 40.933 40.800 -0.030 0.000 0.948 143 D HN 0.570 8.917 8.370 -0.037 0.000 0.472 144 A N -3.285 119.502 122.820 -0.054 0.000 3.200 144 A HA 0.288 4.578 4.320 -0.050 0.000 0.274 144 A C -1.549 175.981 177.584 -0.089 0.000 1.220 144 A CA -0.260 51.739 52.037 -0.063 0.000 0.904 144 A CB 1.000 19.960 19.000 -0.067 0.000 1.415 144 A HN -0.702 7.393 8.150 -0.061 0.019 0.630 145 G N 0.004 108.749 108.800 -0.092 0.000 2.432 145 G HA2 -0.102 3.952 3.960 -0.127 0.000 0.239 145 G HA3 -0.102 3.781 3.960 -0.127 0.000 0.239 145 G C -2.067 172.750 174.900 -0.138 0.000 1.291 145 G CA 0.021 45.048 45.100 -0.122 0.000 0.863 145 G HN 0.313 8.556 8.290 -0.079 0.000 0.560 146 S N 2.153 117.755 115.700 -0.164 0.000 2.552 146 S HA 0.601 5.141 4.470 -0.150 -0.160 0.314 146 S C -1.843 172.643 174.600 -0.191 0.000 1.099 146 S CA -1.342 56.755 58.200 -0.172 0.000 1.070 146 S CB 1.766 64.847 63.200 -0.199 0.000 0.998 146 S HN 0.036 8.242 8.310 -0.172 0.000 0.474 147 L N 9.016 130.133 121.223 -0.177 0.000 2.305 147 L HA 0.644 4.957 4.340 -0.290 -0.147 0.284 147 L C -2.621 174.113 176.870 -0.226 0.000 1.013 147 L CA -1.157 53.540 54.840 -0.239 0.000 0.819 147 L CB 3.175 45.107 42.059 -0.212 0.000 1.227 147 L HN 0.721 8.867 8.230 -0.140 0.000 0.417 148 V N 6.178 125.917 119.914 -0.293 0.000 2.531 148 V HA 0.642 4.942 4.120 -0.060 -0.215 0.301 148 V C -1.403 174.558 176.094 -0.220 0.000 1.034 148 V CA -1.635 60.569 62.300 -0.161 0.000 0.865 148 V CB 2.394 34.170 31.823 -0.079 0.000 0.995 148 V HN 0.642 8.625 8.190 -0.344 0.000 0.424 149 F N 6.336 126.358 119.950 0.120 0.000 2.440 149 F HA 0.384 5.032 4.527 0.202 0.000 0.328 149 F C -0.172 175.680 175.800 0.086 0.000 1.070 149 F CA -1.129 56.948 58.000 0.128 0.000 1.011 149 F CB 3.013 42.051 39.000 0.064 0.000 1.226 149 F HN 0.548 9.001 8.300 0.254 0.000 0.491 150 T N 4.089 118.818 114.554 0.292 0.000 2.744 150 T HA 0.401 5.011 4.350 0.168 -0.160 0.291 150 T C -0.653 174.121 174.700 0.123 0.000 0.957 150 T CA 0.309 62.526 62.100 0.195 0.000 1.002 150 T CB 0.607 69.604 68.868 0.216 0.000 0.919 150 T HN 0.155 8.591 8.240 0.327 0.000 0.468 151 S N 6.772 122.516 115.700 0.073 0.000 2.694 151 S HA 0.327 4.760 4.470 -0.061 0.000 0.286 151 S C -1.561 173.041 174.600 0.005 0.000 1.080 151 S CA -1.586 56.605 58.200 -0.015 0.000 0.953 151 S CB 0.889 64.055 63.200 -0.056 0.000 1.313 151 S HN 0.650 8.896 8.310 0.082 0.113 0.555 152 S N -2.120 113.550 115.700 -0.050 0.000 2.587 152 S HA 0.301 4.983 4.470 0.017 -0.201 0.269 152 S C 0.830 175.371 174.600 -0.097 0.000 1.154 152 S CA -1.413 56.773 58.200 -0.024 0.000 0.824 152 S CB 2.094 65.321 63.200 0.045 0.000 1.118 152 S HN 0.183 8.432 8.310 -0.101 0.000 0.462 153 S N 5.662 121.297 115.700 -0.107 0.000 2.400 153 S HA -0.223 4.176 4.470 -0.117 0.000 0.232 153 S C 1.262 175.777 174.600 -0.141 0.000 1.025 153 S CA 3.085 61.209 58.200 -0.126 0.000 0.993 153 S CB -0.449 62.680 63.200 -0.118 0.000 0.808 153 S HN 0.705 8.957 8.310 -0.097 0.000 0.478 154 V N -4.604 115.212 119.914 -0.164 0.000 3.510 154 V HA 0.426 4.776 4.120 -0.017 -0.241 0.270 154 V C 1.389 177.505 176.094 0.036 0.000 1.201 154 V CA 0.561 62.822 62.300 -0.065 0.000 1.166 154 V CB -0.724 31.015 31.823 -0.141 0.000 0.825 154 V HN -0.900 7.153 8.190 -0.205 0.013 0.484 155 G N -1.056 107.644 108.800 -0.167 0.000 2.880 155 G HA2 -0.010 3.838 3.960 -0.285 0.000 0.209 155 G HA3 -0.010 3.736 3.960 -0.357 0.000 0.209 155 G C 0.063 174.344 174.900 -1.032 0.000 1.157 155 G CA 0.833 45.676 45.100 -0.427 0.000 0.779 155 G HN -0.131 7.883 8.290 -0.176 0.171 0.539 156 R N -1.492 118.625 120.500 -0.638 0.000 2.225 156 R HA 0.186 4.071 4.340 -0.758 0.000 0.194 156 R C -0.110 176.056 176.300 -0.224 0.000 0.949 156 R CA -0.014 55.755 56.100 -0.552 0.000 1.088 156 R CB 1.918 32.056 30.300 -0.270 0.000 1.106 156 R HN -0.453 7.444 8.270 -0.365 0.154 0.566 157 Q N -0.676 119.134 119.800 0.018 0.000 2.269 157 Q HA 0.278 4.831 4.340 0.355 0.000 0.263 157 Q C -1.040 175.124 176.000 0.273 0.000 0.983 157 Q CA -1.451 54.482 55.803 0.216 0.000 0.777 157 Q CB 3.196 31.986 28.738 0.088 0.000 1.273 157 Q HN -0.390 7.862 8.270 -0.030 0.000 0.440 158 G N 4.693 113.708 108.800 0.358 0.000 2.432 158 G HA2 -0.096 4.036 3.960 0.287 0.000 0.239 158 G HA3 -0.096 3.940 3.960 0.126 0.000 0.239 158 G C -1.499 173.497 174.900 0.160 0.000 1.291 158 G CA -0.072 45.164 45.100 0.228 0.000 0.863 158 G HN 0.424 8.940 8.290 0.375 0.000 0.560 159 R N 1.850 122.463 120.500 0.189 0.000 2.795 159 R HA 0.163 4.601 4.340 0.164 0.000 0.275 159 R C -0.579 175.901 176.300 0.300 0.000 0.981 159 R CA -1.815 54.411 56.100 0.209 0.000 0.917 159 R CB 2.261 32.673 30.300 0.185 0.000 1.202 159 R HN -0.096 8.311 8.270 0.227 0.000 0.469 160 A N 2.021 124.981 122.820 0.234 0.000 2.587 160 A HA -0.220 4.195 4.320 0.158 0.000 0.235 160 A C -0.557 177.167 177.584 0.233 0.000 1.044 160 A CA 1.536 53.690 52.037 0.194 0.000 0.754 160 A CB -0.128 18.953 19.000 0.136 0.000 0.968 160 A HN 0.425 8.690 8.150 0.192 0.000 0.509 161 N N -2.905 115.858 118.700 0.104 0.000 2.980 161 N HA -0.365 4.427 4.740 -0.067 -0.092 0.219 161 N C 0.393 175.779 175.510 -0.207 0.000 0.883 161 N CA 2.496 55.498 53.050 -0.080 0.000 1.018 161 N CB -1.494 36.871 38.487 -0.203 0.000 1.041 161 N HN 0.164 8.604 8.380 0.100 0.000 0.592 162 W N -1.392 119.946 121.300 0.064 0.000 3.290 162 W HA 0.029 4.722 4.660 0.055 0.000 0.287 162 W C 1.084 177.664 176.519 0.102 0.000 1.288 162 W CA 1.610 59.006 57.345 0.086 0.000 1.725 162 W CB 0.268 29.805 29.460 0.128 0.000 1.103 162 W HN -0.606 7.738 8.180 0.374 0.061 0.670 163 G N -0.028 108.919 108.800 0.244 0.000 2.685 163 G HA2 -0.652 3.520 3.960 0.353 0.000 0.357 163 G HA3 -0.652 3.612 3.960 0.254 -0.152 0.357 163 G C 0.282 175.195 174.900 0.023 0.000 1.272 163 G CA 1.582 46.834 45.100 0.254 0.000 0.972 163 G HN -0.155 8.276 8.290 0.235 0.000 0.550 164 A N 3.125 125.794 122.820 -0.251 0.000 1.933 164 A HA -0.366 2.832 4.320 -1.870 0.000 0.218 164 A C 1.503 178.863 177.584 -0.374 0.000 1.175 164 A CA 2.684 54.161 52.037 -0.934 0.000 0.628 164 A CB -0.061 18.445 19.000 -0.823 0.000 0.814 164 A HN -0.423 7.923 8.150 -0.042 -0.221 0.444 165 Y N 0.717 120.931 120.300 -0.143 0.000 2.128 165 Y HA -0.410 4.119 4.550 -0.034 0.000 0.284 165 Y C 1.718 177.656 175.900 0.064 0.000 1.154 165 Y CA 3.153 61.265 58.100 0.020 0.000 1.149 165 Y CB -0.232 38.361 38.460 0.223 0.000 0.976 165 Y HN -0.591 7.784 8.280 0.159 0.000 0.505 166 A N -1.723 121.230 122.820 0.223 0.000 1.883 166 A HA -0.485 3.939 4.320 0.174 0.000 0.217 166 A C 1.283 178.937 177.584 0.116 0.000 1.186 166 A CA 3.130 55.281 52.037 0.190 0.000 0.624 166 A CB -0.856 18.311 19.000 0.280 0.000 0.822 166 A HN -0.121 8.235 8.150 0.343 0.000 0.444 167 A N -1.869 120.934 122.820 -0.029 0.000 1.908 167 A HA -0.415 3.892 4.320 -0.022 0.000 0.218 167 A C 1.968 179.511 177.584 -0.069 0.000 1.181 167 A CA 3.306 55.304 52.037 -0.064 0.000 0.627 167 A CB -0.574 18.342 19.000 -0.140 0.000 0.818 167 A HN -0.283 7.818 8.150 -0.081 0.000 0.445 168 S N -2.127 113.459 115.700 -0.189 0.000 2.402 168 S HA -0.182 4.194 4.470 -0.157 0.000 0.229 168 S C 1.938 176.428 174.600 -0.183 0.000 1.021 168 S CA 2.878 60.960 58.200 -0.197 0.000 0.974 168 S CB -0.493 62.557 63.200 -0.250 0.000 0.800 168 S HN -0.045 8.109 8.310 -0.250 0.006 0.484 169 K N 2.194 122.466 120.400 -0.213 0.000 2.186 169 K HA 0.029 4.207 4.320 -0.236 0.000 0.202 169 K C 2.287 178.810 176.600 -0.130 0.000 1.052 169 K CA 1.313 57.466 56.287 -0.223 0.000 0.965 169 K CB -0.844 31.453 32.500 -0.338 0.000 0.746 169 K HN -0.524 7.504 8.250 -0.216 0.093 0.457 170 F N 0.920 120.781 119.950 -0.149 0.000 2.095 170 F HA -0.275 4.339 4.527 -0.102 -0.148 0.298 170 F C 2.163 177.889 175.800 -0.123 0.000 1.104 170 F CA 4.148 62.083 58.000 -0.110 0.000 1.232 170 F CB -0.271 38.686 39.000 -0.072 0.000 0.987 170 F HN 0.015 8.484 8.300 0.282 0.000 0.475 171 A N -2.363 120.490 122.820 0.055 0.000 1.940 171 A HA -0.373 3.936 4.320 -0.017 0.000 0.219 171 A C 1.932 179.436 177.584 -0.134 0.000 1.176 171 A CA 3.365 55.379 52.037 -0.039 0.000 0.631 171 A CB -1.070 17.896 19.000 -0.057 0.000 0.814 171 A HN -0.146 8.041 8.150 0.062 0.000 0.446 172 T N 1.165 115.614 114.554 -0.174 0.000 2.708 172 T HA -0.469 3.659 4.350 -0.371 0.000 0.266 172 T C 2.041 176.554 174.700 -0.310 0.000 1.037 172 T CA 5.375 67.303 62.100 -0.285 0.000 1.146 172 T CB -0.261 68.477 68.868 -0.217 0.000 0.865 172 T HN -0.495 7.565 8.240 -0.149 0.091 0.435 173 E N 1.493 121.562 120.200 -0.219 0.000 2.085 173 E HA -0.313 3.928 4.350 -0.182 0.000 0.194 173 E C 2.650 179.151 176.600 -0.165 0.000 0.994 173 E CA 3.080 59.363 56.400 -0.196 0.000 0.801 173 E CB -0.546 29.014 29.700 -0.233 0.000 0.743 173 E HN -0.417 7.822 8.360 -0.203 0.000 0.453 174 G N -1.264 107.456 108.800 -0.133 0.000 2.421 174 G HA2 -0.322 3.592 3.960 -0.076 0.000 0.216 174 G HA3 -0.322 3.594 3.960 -0.072 0.000 0.216 174 G C 0.997 175.821 174.900 -0.127 0.000 1.171 174 G CA 1.771 46.812 45.100 -0.097 0.000 0.775 174 G HN -0.142 8.077 8.290 -0.118 0.000 0.543 175 M N 2.712 122.194 119.600 -0.198 0.000 2.108 175 M HA -0.365 4.026 4.480 -0.149 0.000 0.261 175 M C 1.514 177.679 176.300 -0.225 0.000 1.066 175 M CA 3.632 58.795 55.300 -0.230 0.000 1.107 175 M CB 0.160 32.548 32.600 -0.354 0.000 1.356 175 M HN -0.182 7.975 8.290 -0.222 0.000 0.406 176 M N -0.580 118.825 119.600 -0.325 0.000 2.108 176 M HA -0.473 3.998 4.480 -0.014 0.000 0.261 176 M C 1.912 178.212 176.300 0.000 0.000 1.066 176 M CA 3.377 58.609 55.300 -0.114 0.000 1.107 176 M CB -0.644 31.917 32.600 -0.064 0.000 1.356 176 M HN -0.177 7.867 8.290 -0.410 0.000 0.406 177 Q N -1.324 118.451 119.800 -0.041 0.000 2.119 177 Q HA -0.321 4.020 4.340 0.002 0.000 0.201 177 Q C 2.909 178.914 176.000 0.008 0.000 0.972 177 Q CA 3.144 58.938 55.803 -0.014 0.000 0.847 177 Q CB 0.131 28.847 28.738 -0.036 0.000 0.903 177 Q HN -0.326 7.814 8.270 -0.079 0.083 0.433 178 V N 0.954 120.867 119.914 -0.002 0.000 2.295 178 V HA -0.544 3.580 4.120 0.007 0.000 0.246 178 V C 1.822 177.959 176.094 0.071 0.000 1.049 178 V CA 4.547 66.856 62.300 0.016 0.000 1.024 178 V CB -0.148 31.673 31.823 -0.003 0.000 0.648 178 V HN -0.251 7.923 8.190 -0.026 0.000 0.447 179 L N -1.642 119.657 121.223 0.126 0.000 2.046 179 L HA -0.407 4.129 4.340 0.326 0.000 0.208 179 L C 2.050 179.084 176.870 0.273 0.000 1.077 179 L CA 3.178 58.178 54.840 0.267 0.000 0.747 179 L CB -0.562 41.680 42.059 0.304 0.000 0.896 179 L HN -0.354 7.934 8.230 0.097 0.000 0.432 180 A N -1.776 121.148 122.820 0.173 0.000 1.933 180 A HA -0.367 4.057 4.320 0.174 0.000 0.218 180 A C 0.945 178.590 177.584 0.102 0.000 1.175 180 A CA 2.809 54.931 52.037 0.142 0.000 0.628 180 A CB -0.602 18.455 19.000 0.094 0.000 0.814 180 A HN 0.027 8.261 8.150 0.139 0.000 0.444 181 D N -2.387 118.050 120.400 0.062 0.000 2.097 181 D HA -0.208 4.443 4.640 0.018 0.000 0.197 181 D C 2.957 179.248 176.300 -0.014 0.000 0.984 181 D CA 2.739 56.751 54.000 0.020 0.000 0.826 181 D CB 0.127 40.929 40.800 0.004 0.000 0.973 181 D HN -0.605 7.800 8.370 0.060 0.000 0.460 182 E N 0.046 120.222 120.200 -0.038 0.000 2.150 182 E HA -0.273 3.959 4.350 -0.196 0.000 0.193 182 E C 2.198 178.566 176.600 -0.386 0.000 0.985 182 E CA 2.876 59.142 56.400 -0.223 0.000 0.814 182 E CB 0.543 30.063 29.700 -0.299 0.000 0.752 182 E HN -0.362 8.004 8.360 0.010 0.000 0.466 183 Y N -4.004 116.313 120.300 0.027 0.000 2.708 183 Y HA 0.135 4.696 4.550 0.019 0.000 0.287 183 Y C -1.239 174.670 175.900 0.015 0.000 1.145 183 Y CA -1.821 56.292 58.100 0.022 0.000 1.249 183 Y CB -0.438 38.040 38.460 0.029 0.000 1.152 183 Y HN -0.392 7.950 8.280 0.137 0.021 0.532 184 Q N 0.952 120.799 119.800 0.079 0.000 2.308 184 Q HA -0.241 4.137 4.340 0.064 0.000 0.313 184 Q C 0.742 176.773 176.000 0.051 0.000 1.075 184 Q CA 1.833 57.669 55.803 0.055 0.000 0.995 184 Q CB -0.310 28.441 28.738 0.021 0.000 1.107 184 Q HN -0.879 7.360 8.270 0.038 0.053 0.380 185 Q N -2.345 117.484 119.800 0.048 0.000 2.406 185 Q HA -0.367 3.989 4.340 0.027 0.000 0.236 185 Q C -0.162 175.868 176.000 0.049 0.000 0.799 185 Q CA 1.943 57.767 55.803 0.036 0.000 1.286 185 Q CB -0.989 27.762 28.738 0.023 0.000 1.615 185 Q HN 0.715 9.012 8.270 0.046 0.000 0.621 186 R N -3.979 116.574 120.500 0.088 0.000 2.437 186 R HA 0.101 4.485 4.340 0.073 0.000 0.184 186 R C -1.121 175.226 176.300 0.078 0.000 0.850 186 R CA 1.032 57.197 56.100 0.109 0.000 1.073 186 R CB 3.049 33.475 30.300 0.209 0.000 1.336 186 R HN -0.211 7.977 8.270 0.110 0.148 0.640 187 L N -3.327 117.953 121.223 0.095 0.000 2.333 187 L HA 0.515 4.934 4.340 -0.039 -0.102 0.263 187 L C -1.395 175.481 176.870 0.011 0.000 1.014 187 L CA -1.468 53.368 54.840 -0.006 0.000 0.820 187 L CB 3.843 45.826 42.059 -0.127 0.000 1.352 187 L HN -0.416 7.916 8.230 0.169 0.000 0.421 188 R N 0.092 120.570 120.500 -0.037 0.000 2.312 188 R HA 0.172 4.514 4.340 0.003 0.000 0.311 188 R C -1.516 174.777 176.300 -0.012 0.000 1.004 188 R CA -0.614 55.470 56.100 -0.027 0.000 0.902 188 R CB 1.521 31.768 30.300 -0.087 0.000 1.073 188 R HN 0.084 8.313 8.270 -0.068 0.000 0.457 189 V N 5.231 125.177 119.914 0.053 0.000 2.482 189 V HA 0.801 5.191 4.120 0.074 -0.226 0.295 189 V C -1.710 174.476 176.094 0.154 0.000 1.026 189 V CA -1.361 61.005 62.300 0.110 0.000 0.856 189 V CB 2.072 34.002 31.823 0.178 0.000 1.001 189 V HN 0.368 8.599 8.190 0.069 0.000 0.424 190 N N 5.546 124.355 118.700 0.182 0.000 2.732 190 N HA 0.743 5.702 4.740 0.186 -0.107 0.259 190 N C -1.965 173.695 175.510 0.251 0.000 1.402 190 N CA -0.824 52.356 53.050 0.217 0.000 0.829 190 N CB 5.428 44.095 38.487 0.300 0.000 1.495 190 N HN 0.115 8.591 8.380 0.160 0.000 0.511 191 C N -1.631 117.798 119.300 0.215 0.000 2.529 191 C HA 0.746 5.538 4.460 0.223 -0.198 0.329 191 C C -1.130 173.963 174.990 0.171 0.000 1.194 191 C CA -1.578 57.551 59.018 0.185 0.000 1.779 191 C CB 3.505 31.304 27.740 0.099 0.000 2.322 191 C HN 0.472 8.808 8.230 0.177 0.000 0.500 192 I N 0.895 121.518 120.570 0.089 0.000 2.406 192 I HA 0.329 4.705 4.170 0.086 -0.154 0.290 192 I C -1.583 174.560 176.117 0.043 0.000 0.999 192 I CA -1.244 60.068 61.300 0.021 0.000 1.124 192 I CB 2.791 40.643 38.000 -0.248 0.000 1.289 192 I HN 0.531 8.792 8.210 0.086 0.000 0.441 193 N N 7.681 126.410 118.700 0.047 0.000 2.462 193 N HA 0.515 5.452 4.740 0.063 -0.159 0.242 193 N C -1.488 174.073 175.510 0.084 0.000 1.010 193 N CA -3.482 49.600 53.050 0.052 0.000 0.939 193 N CB 1.600 40.093 38.487 0.010 0.000 1.127 193 N HN 0.489 8.901 8.380 0.054 0.000 0.509 194 P HA -0.022 4.538 4.420 0.233 0.000 0.226 194 P C -0.044 177.325 177.300 0.115 0.000 1.153 194 P CA 0.337 63.548 63.100 0.186 0.000 0.777 194 P CB 0.218 32.055 31.700 0.228 0.000 0.794 195 G N -1.028 107.818 108.800 0.076 0.000 2.796 195 G HA2 -0.254 3.718 3.960 0.019 0.000 0.226 195 G HA3 -0.254 3.727 3.960 0.034 0.000 0.226 195 G C -0.838 174.092 174.900 0.050 0.000 1.381 195 G CA -0.648 44.477 45.100 0.041 0.000 0.867 195 G HN -0.689 7.879 8.290 0.072 -0.236 0.552 196 G N -1.718 107.096 108.800 0.023 0.000 2.343 196 G HA2 -0.074 3.923 3.960 0.062 0.000 0.254 196 G HA3 -0.074 3.882 3.960 -0.006 0.000 0.254 196 G C -1.506 173.412 174.900 0.030 0.000 1.277 196 G CA 0.316 45.432 45.100 0.028 0.000 0.909 196 G HN 0.124 8.415 8.290 0.001 0.000 0.502 197 T N 3.108 117.691 114.554 0.049 0.000 2.896 197 T HA 0.492 5.021 4.350 0.026 -0.164 0.297 197 T C -0.320 174.402 174.700 0.036 0.000 1.108 197 T CA -1.762 60.361 62.100 0.037 0.000 1.004 197 T CB 3.576 72.468 68.868 0.041 0.000 1.159 197 T HN -0.120 8.160 8.240 0.067 0.000 0.499 198 R N 3.329 123.842 120.500 0.022 0.000 2.441 198 R HA -0.034 4.324 4.340 0.029 0.000 0.300 198 R C -0.416 175.896 176.300 0.020 0.000 1.284 198 R CA 0.063 56.176 56.100 0.021 0.000 1.069 198 R CB -2.007 28.300 30.300 0.011 0.000 1.087 198 R HN 0.109 8.388 8.270 0.015 0.000 0.519 199 T N -1.179 113.395 114.554 0.033 0.000 2.864 199 T HA 0.328 4.688 4.350 0.016 0.000 0.299 199 T C 0.039 174.759 174.700 0.034 0.000 1.166 199 T CA -2.204 59.913 62.100 0.028 0.000 1.007 199 T CB 3.200 72.089 68.868 0.035 0.000 1.219 199 T HN -0.463 7.804 8.240 0.045 0.000 0.506 200 A N 0.951 123.785 122.820 0.023 0.000 1.908 200 A HA -0.216 4.114 4.320 0.018 0.000 0.218 200 A C 2.353 179.950 177.584 0.023 0.000 1.181 200 A CA 3.038 55.086 52.037 0.018 0.000 0.627 200 A CB -0.488 18.518 19.000 0.009 0.000 0.818 200 A HN 0.758 8.918 8.150 0.017 0.000 0.445 201 M N -2.451 117.165 119.600 0.027 0.000 2.132 201 M HA -0.235 4.243 4.480 -0.004 0.000 0.263 201 M C 2.226 178.555 176.300 0.049 0.000 1.065 201 M CA 1.235 56.546 55.300 0.018 0.000 1.122 201 M CB -1.516 31.094 32.600 0.016 0.000 1.365 201 M HN -0.199 8.109 8.290 0.031 0.000 0.411 202 R N -0.150 120.408 120.500 0.096 0.000 2.081 202 R HA -0.315 4.175 4.340 0.252 0.000 0.235 202 R C 1.870 178.284 176.300 0.190 0.000 1.131 202 R CA 2.812 59.022 56.100 0.184 0.000 0.960 202 R CB -0.588 29.810 30.300 0.163 0.000 0.856 202 R HN -0.536 7.784 8.270 0.084 0.000 0.436 203 A N -2.271 120.615 122.820 0.109 0.000 1.969 203 A HA -0.130 4.263 4.320 0.122 0.000 0.218 203 A C 1.712 179.327 177.584 0.051 0.000 1.169 203 A CA 2.748 54.838 52.037 0.090 0.000 0.635 203 A CB -0.863 18.168 19.000 0.052 0.000 0.810 203 A HN -0.269 7.931 8.150 0.083 0.000 0.445 204 S N -0.984 114.723 115.700 0.012 0.000 2.383 204 S HA -0.241 4.203 4.470 -0.043 0.000 0.227 204 S C 1.206 175.732 174.600 -0.122 0.000 1.026 204 S CA 2.822 60.993 58.200 -0.048 0.000 0.981 204 S CB -0.402 62.761 63.200 -0.061 0.000 0.818 204 S HN -0.423 7.788 8.310 0.018 0.110 0.472 205 A N -0.366 122.372 122.820 -0.136 0.000 1.929 205 A HA -0.075 3.940 4.320 -0.509 0.000 0.216 205 A C 0.094 177.325 177.584 -0.588 0.000 1.176 205 A CA 1.821 53.615 52.037 -0.405 0.000 0.628 205 A CB 0.695 19.522 19.000 -0.287 0.000 0.816 205 A HN -0.574 7.463 8.150 -0.041 0.089 0.444 206 F N -4.043 115.912 119.950 0.008 0.000 2.550 206 F HA 0.432 4.965 4.527 0.010 0.000 0.348 206 F C -1.997 173.808 175.800 0.008 0.000 1.219 206 F CA -3.004 55.009 58.000 0.022 0.000 1.203 206 F CB 0.467 39.505 39.000 0.064 0.000 1.436 206 F HN -0.393 8.009 8.300 0.170 0.000 0.541 207 P HA 0.054 4.654 4.420 0.048 -0.152 0.222 207 P C 0.009 177.350 177.300 0.068 0.000 1.147 207 P CA 1.624 64.756 63.100 0.053 0.000 0.790 207 P CB 0.179 31.883 31.700 0.005 0.000 0.780 208 T N -4.670 109.941 114.554 0.094 0.000 3.022 208 T HA 0.025 4.407 4.350 0.053 0.000 0.250 208 T C -0.353 174.393 174.700 0.077 0.000 1.060 208 T CA -0.781 61.363 62.100 0.073 0.000 1.013 208 T CB 0.402 69.311 68.868 0.068 0.000 0.982 208 T HN -0.436 7.835 8.240 0.126 0.044 0.508 209 E N 2.482 122.748 120.200 0.111 0.000 2.413 209 E HA -0.146 4.230 4.350 0.042 0.000 0.263 209 E C -0.973 175.650 176.600 0.038 0.000 1.015 209 E CA 0.183 56.623 56.400 0.066 0.000 0.916 209 E CB 0.896 30.635 29.700 0.065 0.000 0.947 209 E HN -0.818 7.531 8.360 0.161 0.107 0.440 210 D N 5.997 126.405 120.400 0.014 0.000 2.339 210 D HA 0.203 4.852 4.640 0.015 0.000 0.241 210 D C -0.278 176.023 176.300 0.003 0.000 1.183 210 D CA -3.005 51.001 54.000 0.009 0.000 0.859 210 D CB 0.499 41.301 40.800 0.003 0.000 1.067 210 D HN 0.148 8.521 8.370 0.004 0.000 0.484 211 P HA -0.217 4.209 4.420 0.009 0.000 0.221 211 P C 1.171 178.472 177.300 0.000 0.000 1.145 211 P CA 1.580 64.685 63.100 0.008 0.000 0.795 211 P CB 0.290 31.998 31.700 0.014 0.000 0.775 212 Q N -3.962 115.838 119.800 -0.001 0.000 2.439 212 Q HA -0.241 4.098 4.340 -0.002 0.000 0.211 212 Q C 1.213 177.209 176.000 -0.007 0.000 0.978 212 Q CA 1.932 57.733 55.803 -0.003 0.000 0.897 212 Q CB -0.392 28.345 28.738 -0.002 0.000 0.956 212 Q HN -0.429 8.091 8.270 0.001 -0.250 0.483 213 K N -2.797 117.595 120.400 -0.013 0.000 2.444 213 K HA -0.095 4.216 4.320 -0.016 0.000 0.193 213 K C -0.013 176.573 176.600 -0.023 0.000 1.024 213 K CA 0.367 56.642 56.287 -0.020 0.000 1.077 213 K CB 0.520 33.002 32.500 -0.030 0.000 0.833 213 K HN -0.594 7.600 8.250 -0.013 0.048 0.517 214 L N -0.990 120.223 121.223 -0.017 0.000 2.333 214 L HA 0.149 4.478 4.340 -0.019 0.000 0.269 214 L C -0.923 175.945 176.870 -0.004 0.000 1.010 214 L CA -1.206 53.626 54.840 -0.014 0.000 0.818 214 L CB 2.425 44.478 42.059 -0.010 0.000 1.306 214 L HN -0.503 7.554 8.230 -0.012 0.166 0.430 215 K N -0.580 119.821 120.400 0.001 0.000 2.219 215 K HA 0.156 4.565 4.320 0.004 -0.087 0.258 215 K C 0.583 177.187 176.600 0.006 0.000 1.008 215 K CA -1.253 55.037 56.287 0.005 0.000 0.928 215 K CB 0.386 32.893 32.500 0.012 0.000 0.983 215 K HN 0.422 8.672 8.250 0.000 0.000 0.484 216 T N -1.508 113.047 114.554 0.002 0.000 2.874 216 T HA 0.389 4.737 4.350 -0.003 0.000 0.281 216 T C -0.467 174.225 174.700 -0.013 0.000 0.994 216 T CA -2.926 59.171 62.100 -0.004 0.000 1.015 216 T CB -0.204 68.659 68.868 -0.007 0.000 1.028 216 T HN -0.049 8.487 8.240 0.002 -0.295 0.523 217 P HA -0.217 4.161 4.420 -0.069 0.000 0.216 217 P C 1.262 178.514 177.300 -0.081 0.000 1.150 217 P CA 2.843 65.901 63.100 -0.069 0.000 0.843 217 P CB -0.437 31.210 31.700 -0.088 0.000 0.787 218 A N -3.804 118.984 122.820 -0.052 0.000 1.940 218 A HA -0.239 4.138 4.320 -0.057 -0.091 0.219 218 A C 2.362 179.935 177.584 -0.018 0.000 1.176 218 A CA 2.711 54.725 52.037 -0.039 0.000 0.631 218 A CB -0.811 18.179 19.000 -0.017 0.000 0.814 218 A HN 0.043 8.169 8.150 -0.041 0.000 0.446 219 D N -2.293 118.103 120.400 -0.006 0.000 2.218 219 D HA -0.164 4.483 4.640 0.012 0.000 0.204 219 D C 1.279 177.594 176.300 0.026 0.000 0.976 219 D CA 2.767 56.773 54.000 0.010 0.000 0.853 219 D CB -0.070 40.737 40.800 0.011 0.000 0.939 219 D HN -0.418 7.843 8.370 -0.009 0.104 0.481 220 I N -9.831 110.757 120.570 0.029 0.000 3.875 220 I HA 0.262 4.485 4.170 0.087 0.000 0.329 220 I C 0.419 176.625 176.117 0.149 0.000 1.295 220 I CA -0.652 60.700 61.300 0.087 0.000 1.129 220 I CB 0.307 38.379 38.000 0.119 0.000 1.008 220 I HN -0.815 7.369 8.210 0.005 0.029 0.413 221 M N 1.519 121.158 119.600 0.065 0.000 2.374 221 M HA -0.015 4.519 4.480 0.089 0.000 0.264 221 M C -1.299 175.110 176.300 0.181 0.000 1.067 221 M CA 2.354 57.705 55.300 0.085 0.000 1.103 221 M CB -3.408 29.175 32.600 -0.028 0.000 1.402 221 M HN -0.647 7.600 8.290 0.022 0.056 0.444 222 P HA -0.233 4.313 4.420 0.211 0.000 0.216 222 P C 1.626 179.039 177.300 0.189 0.000 1.153 222 P CA 3.490 66.700 63.100 0.184 0.000 0.858 222 P CB -0.625 31.151 31.700 0.127 0.000 0.789 223 L N -3.895 117.395 121.223 0.111 0.000 2.083 223 L HA -0.285 4.016 4.340 -0.065 0.000 0.209 223 L C 1.536 178.452 176.870 0.076 0.000 1.083 223 L CA 2.979 57.827 54.840 0.014 0.000 0.752 223 L CB -0.409 41.613 42.059 -0.061 0.000 0.899 223 L HN -0.257 8.045 8.230 0.120 0.000 0.433 224 Y N -2.376 117.981 120.300 0.095 0.000 2.181 224 Y HA -0.403 4.241 4.550 0.157 0.000 0.288 224 Y C 2.795 178.860 175.900 0.274 0.000 1.146 224 Y CA 3.878 62.068 58.100 0.151 0.000 1.164 224 Y CB -0.448 38.040 38.460 0.047 0.000 0.982 224 Y HN -0.974 7.574 8.280 0.446 0.000 0.515 225 L N -2.221 119.229 121.223 0.379 0.000 2.027 225 L HA -0.434 4.151 4.340 0.409 0.000 0.206 225 L C 1.621 178.619 176.870 0.213 0.000 1.074 225 L CA 2.866 57.891 54.840 0.308 0.000 0.745 225 L CB -0.221 41.919 42.059 0.135 0.000 0.898 225 L HN -0.370 8.057 8.230 0.328 0.000 0.433 226 W N -0.703 120.546 121.300 -0.085 0.000 2.338 226 W HA -0.389 4.018 4.660 -0.421 0.000 0.304 226 W C 1.498 177.844 176.519 -0.289 0.000 1.212 226 W CA 4.080 61.168 57.345 -0.428 0.000 1.264 226 W CB -0.078 28.859 29.460 -0.872 0.000 1.142 226 W HN -0.380 7.960 8.180 0.266 0.000 0.512 227 L N -4.693 116.388 121.223 -0.236 0.000 2.291 227 L HA -0.308 3.587 4.340 -0.741 0.000 0.214 227 L C 2.099 178.765 176.870 -0.341 0.000 1.120 227 L CA 2.189 56.779 54.840 -0.417 0.000 0.799 227 L CB -0.168 41.763 42.059 -0.213 0.000 0.925 227 L HN -0.424 7.792 8.230 -0.023 0.000 0.446 228 M N -4.272 115.181 119.600 -0.245 0.000 2.501 228 M HA 0.077 4.384 4.480 -0.287 0.000 0.261 228 M C 1.062 177.216 176.300 -0.244 0.000 1.129 228 M CA -0.835 54.295 55.300 -0.284 0.000 1.126 228 M CB -0.021 32.309 32.600 -0.449 0.000 1.359 228 M HN -0.695 7.373 8.290 -0.160 0.126 0.471 229 G N -1.748 106.932 108.800 -0.200 0.000 2.547 229 G HA2 0.046 3.939 3.960 -0.112 0.000 0.291 229 G HA3 0.046 3.972 3.960 -0.057 0.000 0.291 229 G C -0.469 174.319 174.900 -0.188 0.000 1.211 229 G CA -1.382 43.639 45.100 -0.132 0.000 0.950 229 G HN -0.590 7.585 8.290 -0.192 0.000 0.504 230 D N -0.758 119.578 120.400 -0.107 0.000 2.310 230 D HA -0.165 4.392 4.640 -0.139 0.000 0.212 230 D C 1.428 177.648 176.300 -0.135 0.000 0.965 230 D CA 2.819 56.752 54.000 -0.112 0.000 0.879 230 D CB -0.167 40.602 40.800 -0.052 0.000 0.921 230 D HN 0.469 8.805 8.370 -0.058 0.000 0.510 231 D N -1.833 118.493 120.400 -0.123 0.000 2.263 231 D HA -0.120 4.519 4.640 -0.002 0.000 0.208 231 D C 0.891 177.007 176.300 -0.307 0.000 0.971 231 D CA 2.485 56.435 54.000 -0.083 0.000 0.867 231 D CB -0.366 40.521 40.800 0.146 0.000 0.929 231 D HN 0.407 8.689 8.370 -0.083 0.039 0.492 232 S N -3.206 112.084 115.700 -0.683 0.000 2.582 232 S HA 0.156 4.147 4.470 -0.799 0.000 0.234 232 S C 1.074 175.400 174.600 -0.456 0.000 0.961 232 S CA -0.543 57.111 58.200 -0.910 0.000 0.953 232 S CB 0.518 62.684 63.200 -1.722 0.000 0.800 232 S HN -0.660 7.223 8.310 -0.656 0.034 0.471 233 R N 2.322 122.658 120.500 -0.273 0.000 2.159 233 R HA -0.280 3.947 4.340 -0.187 0.000 0.237 233 R C 0.075 176.310 176.300 -0.109 0.000 1.131 233 R CA 2.549 58.547 56.100 -0.169 0.000 0.982 233 R CB 0.042 30.276 30.300 -0.109 0.000 0.868 233 R HN -0.662 7.407 8.270 -0.242 0.055 0.453 234 R N -3.323 117.127 120.500 -0.083 0.000 2.702 234 R HA 0.066 4.393 4.340 -0.022 0.000 0.314 234 R C -0.845 175.455 176.300 0.000 0.000 1.152 234 R CA -0.523 55.562 56.100 -0.026 0.000 1.097 234 R CB -0.417 29.883 30.300 0.001 0.000 1.343 234 R HN -0.125 8.067 8.270 -0.092 0.023 0.575 235 K N -0.154 120.226 120.400 -0.033 0.000 2.483 235 K HA 0.268 4.652 4.320 0.108 0.000 0.256 235 K C -1.614 175.016 176.600 0.050 0.000 0.961 235 K CA -1.140 55.175 56.287 0.047 0.000 0.873 235 K CB 0.973 33.487 32.500 0.024 0.000 1.107 235 K HN -0.589 7.530 8.250 -0.095 0.075 0.432 236 T N 1.558 116.163 114.554 0.085 0.000 2.894 236 T HA 0.000 4.516 4.350 0.091 -0.111 0.309 236 T C -0.115 174.631 174.700 0.077 0.000 1.208 236 T CA -1.175 60.973 62.100 0.080 0.000 1.016 236 T CB 1.574 70.476 68.868 0.057 0.000 1.192 236 T HN -0.247 8.046 8.240 0.089 0.000 0.491 237 G N 5.173 114.017 108.800 0.074 0.000 2.143 237 G HA2 -0.441 3.546 3.960 0.045 0.000 0.249 237 G HA3 -0.441 3.535 3.960 0.026 0.000 0.249 237 G C -1.333 173.555 174.900 -0.019 0.000 0.981 237 G CA 0.391 45.512 45.100 0.036 0.000 0.665 237 G HN 0.605 8.949 8.290 0.092 0.000 0.528 238 M N -0.517 119.063 119.600 -0.033 0.000 2.664 238 M HA 0.266 4.600 4.480 -0.243 0.000 0.314 238 M C -1.499 174.604 176.300 -0.328 0.000 1.200 238 M CA -0.853 54.295 55.300 -0.253 0.000 0.916 238 M CB 3.549 35.904 32.600 -0.408 0.000 1.717 238 M HN -0.441 8.144 8.290 0.047 -0.267 0.470 239 T N 1.686 115.940 114.554 -0.501 0.000 2.824 239 T HA 0.478 4.909 4.350 -0.166 -0.180 0.282 239 T C -1.027 173.364 174.700 -0.516 0.000 0.993 239 T CA -0.911 60.984 62.100 -0.342 0.000 0.967 239 T CB 1.731 70.481 68.868 -0.196 0.000 0.960 239 T HN -0.004 7.924 8.240 -0.520 0.000 0.441 240 F N 4.784 124.723 119.950 -0.019 0.000 2.532 240 F HA 0.196 4.699 4.527 -0.040 0.000 0.321 240 F C -1.560 174.211 175.800 -0.049 0.000 1.089 240 F CA -1.162 56.818 58.000 -0.033 0.000 0.926 240 F CB 3.636 42.628 39.000 -0.012 0.000 1.168 240 F HN 0.432 8.813 8.300 0.136 0.000 0.459 241 D N 3.249 123.723 120.400 0.124 0.000 2.274 241 D HA 0.267 5.085 4.640 0.051 -0.148 0.239 241 D C -0.274 176.062 176.300 0.059 0.000 1.104 241 D CA -0.252 53.784 54.000 0.060 0.000 0.840 241 D CB 0.474 41.285 40.800 0.019 0.000 1.100 241 D HN 0.147 8.589 8.370 0.120 0.000 0.477 242 A N 4.443 127.300 122.820 0.060 0.000 2.067 242 A HA -0.227 4.118 4.320 0.043 0.000 0.219 242 A C -0.643 176.970 177.584 0.049 0.000 1.158 242 A CA 2.157 54.234 52.037 0.065 0.000 0.661 242 A CB 0.670 19.754 19.000 0.140 0.000 0.801 242 A HN 0.163 8.353 8.150 0.067 0.000 0.452 243 Q N -2.131 117.692 119.800 0.038 0.000 2.907 243 Q HA 0.352 4.705 4.340 0.021 0.000 0.262 243 Q C -2.922 173.083 176.000 0.008 0.000 0.997 243 Q CA -3.057 52.760 55.803 0.022 0.000 0.797 243 Q CB 0.335 29.085 28.738 0.021 0.000 1.228 243 Q HN 0.061 8.320 8.270 0.038 0.034 0.466 244 P HA -0.077 4.340 4.420 -0.005 0.000 0.267 244 P C 1.158 178.454 177.300 -0.007 0.000 1.200 244 P CA 0.018 63.115 63.100 -0.004 0.000 0.772 244 P CB 0.520 32.214 31.700 -0.010 0.000 0.855 245 G N 0.000 108.793 108.800 -0.011 0.000 5.446 245 G HA2 0.000 nan 3.960 nan 0.000 0.244 245 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 245 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 245 G HN 0.000 8.282 8.290 -0.014 0.000 0.925