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 2j46_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDV 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 4.375 4.480 -0.174 0.000 0.227 1 M C 0.000 176.217 176.300 -0.138 0.000 1.140 1 M CA 0.000 55.159 55.300 -0.235 0.000 0.988 1 M CB 0.000 32.328 32.600 -0.454 0.000 1.302 2 F N -1.322 118.641 119.950 0.021 0.000 2.969 2 F HA -0.432 4.102 4.527 0.012 0.000 0.273 2 F C 0.174 175.979 175.800 0.008 0.000 0.986 2 F CA -0.098 57.911 58.000 0.015 0.000 0.926 2 F CB -2.928 36.082 39.000 0.018 0.000 0.887 2 F HN 0.615 9.067 8.300 0.254 0.000 0.816 3 Q N -0.789 119.107 119.800 0.161 0.000 2.084 3 Q HA -0.518 3.867 4.340 0.075 0.000 0.202 3 Q C 1.610 177.654 176.000 0.073 0.000 0.978 3 Q CA 4.360 60.216 55.803 0.087 0.000 0.844 3 Q CB -0.026 28.746 28.738 0.057 0.000 0.898 3 Q HN 0.280 8.642 8.270 0.154 0.000 0.426 4 Q N -0.626 119.214 119.800 0.067 0.000 2.020 4 Q HA -0.352 4.007 4.340 0.031 0.000 0.202 4 Q C 1.645 177.666 176.000 0.035 0.000 0.982 4 Q CA 3.530 59.356 55.803 0.039 0.000 0.838 4 Q CB -0.543 28.209 28.738 0.023 0.000 0.899 4 Q HN -0.129 8.186 8.270 0.075 0.000 0.423 5 L N -1.994 119.254 121.223 0.042 0.000 1.990 5 L HA -0.379 3.958 4.340 -0.004 0.000 0.213 5 L C 1.484 178.383 176.870 0.048 0.000 1.072 5 L CA 3.431 58.285 54.840 0.024 0.000 0.755 5 L CB -0.488 41.576 42.059 0.007 0.000 0.889 5 L HN -0.177 8.086 8.230 0.056 0.000 0.432 6 S N -0.254 115.498 115.700 0.086 0.000 2.359 6 S HA -0.372 4.233 4.470 0.082 -0.086 0.223 6 S C 1.911 176.540 174.600 0.047 0.000 1.039 6 S CA 3.489 61.735 58.200 0.076 0.000 1.042 6 S CB -0.749 62.498 63.200 0.078 0.000 0.915 6 S HN -0.139 8.241 8.310 0.116 0.000 0.439 7 A N 1.587 124.430 122.820 0.039 0.000 1.883 7 A HA -0.344 3.990 4.320 0.024 0.000 0.217 7 A C 2.182 179.779 177.584 0.021 0.000 1.186 7 A CA 3.238 55.291 52.037 0.026 0.000 0.624 7 A CB -0.906 18.107 19.000 0.022 0.000 0.822 7 A HN -0.292 7.884 8.150 0.043 0.000 0.444 8 R N -2.245 118.266 120.500 0.018 0.000 2.081 8 R HA -0.351 3.996 4.340 0.010 0.000 0.235 8 R C 2.664 178.974 176.300 0.016 0.000 1.131 8 R CA 3.615 59.722 56.100 0.011 0.000 0.960 8 R CB 0.014 30.314 30.300 0.000 0.000 0.856 8 R HN -0.457 7.824 8.270 0.019 0.000 0.436 9 L N -1.056 120.180 121.223 0.022 0.000 2.046 9 L HA -0.452 3.908 4.340 0.033 0.000 0.208 9 L C 1.906 178.800 176.870 0.040 0.000 1.077 9 L CA 3.241 58.102 54.840 0.036 0.000 0.747 9 L CB -0.404 41.686 42.059 0.051 0.000 0.896 9 L HN -0.001 8.243 8.230 0.024 0.000 0.432 10 Q N -2.066 117.755 119.800 0.035 0.000 2.124 10 Q HA -0.437 3.921 4.340 0.030 0.000 0.202 10 Q C 2.572 178.585 176.000 0.021 0.000 0.977 10 Q CA 3.595 59.414 55.803 0.027 0.000 0.850 10 Q CB -0.243 28.508 28.738 0.022 0.000 0.901 10 Q HN 0.188 8.479 8.270 0.035 0.000 0.429 11 E N 0.287 120.498 120.200 0.019 0.000 2.072 11 E HA -0.316 4.042 4.350 0.013 0.000 0.191 11 E C 1.903 178.513 176.600 0.017 0.000 0.985 11 E CA 2.810 59.219 56.400 0.015 0.000 0.801 11 E CB -0.401 29.307 29.700 0.012 0.000 0.750 11 E HN -0.317 8.054 8.360 0.019 0.000 0.452 12 A N -1.670 121.163 122.820 0.021 0.000 1.933 12 A HA -0.216 4.116 4.320 0.020 0.000 0.218 12 A C 1.502 179.102 177.584 0.027 0.000 1.175 12 A CA 2.615 54.666 52.037 0.024 0.000 0.628 12 A CB -0.158 18.859 19.000 0.029 0.000 0.814 12 A HN -0.459 7.704 8.150 0.022 0.000 0.444 13 I N -4.004 116.584 120.570 0.031 0.000 2.235 13 I HA -0.240 3.950 4.170 0.032 0.000 0.241 13 I C 2.273 178.401 176.117 0.019 0.000 1.085 13 I CA 2.309 63.627 61.300 0.030 0.000 1.378 13 I CB 0.441 38.462 38.000 0.036 0.000 1.076 13 I HN -0.606 7.623 8.210 0.032 0.000 0.415 14 G N -1.135 107.675 108.800 0.016 0.000 2.432 14 G HA2 -0.269 3.696 3.960 0.008 0.000 0.219 14 G HA3 -0.269 3.696 3.960 0.008 0.000 0.219 14 G C 1.073 175.978 174.900 0.009 0.000 1.135 14 G CA 1.745 46.851 45.100 0.010 0.000 0.767 14 G HN 0.123 8.424 8.290 0.017 0.000 0.550 15 R N -0.742 119.764 120.500 0.011 0.000 2.241 15 R HA -0.325 4.020 4.340 0.008 0.000 0.224 15 R C 0.804 177.109 176.300 0.009 0.000 1.101 15 R CA 2.044 58.150 56.100 0.009 0.000 0.995 15 R CB -0.664 29.641 30.300 0.010 0.000 0.870 15 R HN -0.473 7.790 8.270 0.013 0.015 0.463 16 L N -3.930 117.299 121.223 0.011 0.000 2.418 16 L HA -0.155 4.191 4.340 0.010 0.000 0.218 16 L C 0.378 177.253 176.870 0.008 0.000 1.125 16 L CA 0.180 55.027 54.840 0.010 0.000 0.835 16 L CB -0.138 41.929 42.059 0.013 0.000 0.953 16 L HN -0.627 7.571 8.230 0.012 0.040 0.454 17 R N -1.003 119.501 120.500 0.006 0.000 2.679 17 R HA -0.204 4.138 4.340 0.004 0.000 0.268 17 R C 1.207 177.509 176.300 0.003 0.000 1.044 17 R CA 1.538 57.641 56.100 0.004 0.000 1.105 17 R CB 0.286 30.588 30.300 0.002 0.000 0.989 17 R HN -0.717 7.524 8.270 0.007 0.033 0.447 18 G N 2.266 111.067 108.800 0.002 0.000 2.155 18 G HA2 -0.354 3.607 3.960 0.001 0.000 0.257 18 G HA3 -0.354 3.607 3.960 0.001 0.000 0.257 18 G C 0.220 175.122 174.900 0.002 0.000 0.983 18 G CA 1.299 46.400 45.100 0.002 0.000 0.676 18 G HN 0.841 9.133 8.290 0.002 0.000 0.528 19 R N -1.482 119.020 120.500 0.003 0.000 2.437 19 R HA 0.166 4.508 4.340 0.003 0.000 0.257 19 R C 0.651 176.953 176.300 0.004 0.000 0.927 19 R CA -1.328 54.774 56.100 0.004 0.000 1.078 19 R CB 0.268 30.571 30.300 0.005 0.000 1.161 19 R HN -0.288 7.949 8.270 0.004 0.035 0.529 20 G N 0.261 109.063 108.800 0.003 0.000 2.525 20 G HA2 -0.341 3.621 3.960 0.003 0.000 0.248 20 G HA3 -0.341 3.621 3.960 0.003 0.000 0.248 20 G C -1.092 173.810 174.900 0.004 0.000 1.238 20 G CA -0.420 44.682 45.100 0.003 0.000 0.926 20 G HN -0.042 8.250 8.290 0.003 0.000 0.574 21 R N 0.533 121.036 120.500 0.004 0.000 2.643 21 R HA 0.055 4.538 4.340 0.005 -0.140 0.270 21 R C 0.063 176.367 176.300 0.006 0.000 1.061 21 R CA 0.188 56.291 56.100 0.005 0.000 1.107 21 R CB 0.710 31.012 30.300 0.004 0.000 0.999 21 R HN -0.007 8.265 8.270 0.004 0.000 0.460 22 I N -2.797 117.777 120.570 0.007 0.000 2.566 22 I HA 0.332 4.612 4.170 0.008 -0.105 0.303 22 I C 0.081 176.202 176.117 0.008 0.000 0.983 22 I CA -1.471 59.834 61.300 0.008 0.000 1.235 22 I CB 1.576 39.582 38.000 0.010 0.000 1.386 22 I HN 0.217 8.432 8.210 0.007 0.000 0.494 23 T N 0.493 115.052 114.554 0.008 0.000 2.874 23 T HA 0.224 4.577 4.350 0.007 0.000 0.281 23 T C 0.867 175.572 174.700 0.008 0.000 0.994 23 T CA -2.109 59.996 62.100 0.007 0.000 1.015 23 T CB 2.179 71.051 68.868 0.006 0.000 1.028 23 T HN 0.068 8.614 8.240 0.008 -0.301 0.523 24 E N 1.863 122.068 120.200 0.008 0.000 2.118 24 E HA -0.366 3.990 4.350 0.009 0.000 0.195 24 E C 2.124 178.730 176.600 0.009 0.000 0.992 24 E CA 4.039 60.444 56.400 0.009 0.000 0.804 24 E CB -0.085 29.619 29.700 0.007 0.000 0.741 24 E HN 0.502 8.866 8.360 0.007 0.000 0.458 25 E N -1.661 118.544 120.200 0.009 0.000 2.077 25 E HA -0.315 4.041 4.350 0.009 0.000 0.193 25 E C 2.277 178.883 176.600 0.010 0.000 0.989 25 E CA 3.108 59.514 56.400 0.009 0.000 0.800 25 E CB -0.353 29.352 29.700 0.007 0.000 0.746 25 E HN 0.199 8.555 8.360 0.008 0.009 0.452 26 D N -0.039 120.367 120.400 0.010 0.000 2.123 26 D HA -0.279 4.368 4.640 0.011 0.000 0.196 26 D C 2.512 178.821 176.300 0.015 0.000 0.992 26 D CA 3.227 57.234 54.000 0.012 0.000 0.833 26 D CB -0.301 40.505 40.800 0.011 0.000 0.954 26 D HN -0.506 7.870 8.370 0.009 0.000 0.455 27 L N -0.090 121.142 121.223 0.015 0.000 2.017 27 L HA -0.287 4.066 4.340 0.020 0.000 0.208 27 L C 1.188 178.071 176.870 0.021 0.000 1.073 27 L CA 3.063 57.914 54.840 0.018 0.000 0.745 27 L CB -0.086 41.983 42.059 0.016 0.000 0.894 27 L HN -0.261 7.977 8.230 0.013 0.000 0.432 28 K N -0.940 119.471 120.400 0.017 0.000 2.063 28 K HA -0.473 3.859 4.320 0.020 0.000 0.208 28 K C 1.927 178.538 176.600 0.019 0.000 1.048 28 K CA 3.535 59.833 56.287 0.018 0.000 0.928 28 K CB -0.125 32.384 32.500 0.014 0.000 0.713 28 K HN -0.280 7.979 8.250 0.015 0.000 0.442 29 A N -2.526 120.304 122.820 0.016 0.000 1.898 29 A HA -0.173 4.156 4.320 0.014 0.000 0.216 29 A C 2.276 179.872 177.584 0.019 0.000 1.181 29 A CA 3.223 55.270 52.037 0.015 0.000 0.620 29 A CB -0.831 18.177 19.000 0.012 0.000 0.819 29 A HN -0.207 7.952 8.150 0.015 0.000 0.442 30 T N 2.024 116.592 114.554 0.023 0.000 2.746 30 T HA -0.342 4.023 4.350 0.026 0.000 0.267 30 T C 1.856 176.579 174.700 0.038 0.000 1.039 30 T CA 5.177 67.295 62.100 0.029 0.000 1.142 30 T CB -0.389 68.498 68.868 0.031 0.000 0.866 30 T HN -0.411 7.842 8.240 0.022 0.000 0.444 31 L N 0.358 121.605 121.223 0.041 0.000 2.046 31 L HA -0.402 3.980 4.340 0.071 0.000 0.208 31 L C 1.612 178.508 176.870 0.044 0.000 1.077 31 L CA 3.401 58.273 54.840 0.054 0.000 0.747 31 L CB -0.581 41.508 42.059 0.050 0.000 0.896 31 L HN -0.154 8.098 8.230 0.036 0.000 0.432 32 R N -0.894 119.623 120.500 0.029 0.000 2.081 32 R HA -0.449 3.903 4.340 0.019 0.000 0.235 32 R C 1.894 178.201 176.300 0.012 0.000 1.131 32 R CA 3.792 59.904 56.100 0.019 0.000 0.960 32 R CB -0.269 30.039 30.300 0.013 0.000 0.856 32 R HN -0.094 8.192 8.270 0.027 0.000 0.436 33 E N -0.539 119.669 120.200 0.014 0.000 2.077 33 E HA -0.276 4.075 4.350 0.002 0.000 0.193 33 E C 2.195 178.797 176.600 0.003 0.000 0.989 33 E CA 2.486 58.891 56.400 0.008 0.000 0.800 33 E CB -0.595 29.112 29.700 0.011 0.000 0.746 33 E HN -0.490 7.881 8.360 0.018 0.000 0.452 34 I N -0.238 120.344 120.570 0.019 0.000 2.208 34 I HA -0.613 3.554 4.170 -0.005 0.000 0.245 34 I C 1.747 177.843 176.117 -0.035 0.000 1.097 34 I CA 4.727 66.033 61.300 0.010 0.000 1.363 34 I CB -0.275 37.774 38.000 0.081 0.000 1.051 34 I HN -0.245 7.984 8.210 0.033 0.000 0.413 35 R N -0.499 119.995 120.500 -0.009 0.000 2.073 35 R HA -0.434 3.877 4.340 -0.049 0.000 0.234 35 R C 2.253 178.522 176.300 -0.052 0.000 1.134 35 R CA 4.019 60.101 56.100 -0.029 0.000 0.952 35 R CB -0.151 30.150 30.300 0.002 0.000 0.850 35 R HN -0.231 8.049 8.270 0.016 0.000 0.433 36 R N -2.042 118.437 120.500 -0.035 0.000 2.096 36 R HA -0.316 4.002 4.340 -0.038 0.000 0.235 36 R C 2.172 178.441 176.300 -0.051 0.000 1.127 36 R CA 3.405 59.483 56.100 -0.037 0.000 0.968 36 R CB -0.278 30.009 30.300 -0.022 0.000 0.861 36 R HN -0.228 8.029 8.270 -0.022 0.000 0.440 37 A N 0.118 122.905 122.820 -0.055 0.000 1.877 37 A HA -0.259 4.031 4.320 -0.051 0.000 0.216 37 A C 1.957 179.479 177.584 -0.102 0.000 1.186 37 A CA 3.096 55.094 52.037 -0.065 0.000 0.620 37 A CB -0.563 18.404 19.000 -0.055 0.000 0.822 37 A HN -0.304 7.818 8.150 -0.048 0.000 0.443 38 L N -2.518 118.616 121.223 -0.148 0.000 2.012 38 L HA -0.518 3.690 4.340 -0.219 0.000 0.210 38 L C 2.395 179.175 176.870 -0.150 0.000 1.073 38 L CA 3.169 57.887 54.840 -0.203 0.000 0.748 38 L CB -0.335 41.546 42.059 -0.297 0.000 0.891 38 L HN -0.461 7.679 8.230 -0.150 0.000 0.431 39 M N -1.116 118.416 119.600 -0.112 0.000 2.080 39 M HA -0.306 4.118 4.480 -0.093 0.000 0.260 39 M C 3.053 179.306 176.300 -0.079 0.000 1.068 39 M CA 0.958 56.206 55.300 -0.087 0.000 1.109 39 M CB -1.446 31.116 32.600 -0.063 0.000 1.342 39 M HN -0.167 8.061 8.290 -0.104 0.000 0.405 40 D N -0.956 119.402 120.400 -0.070 0.000 2.218 40 D HA -0.200 4.410 4.640 -0.050 0.000 0.204 40 D C 0.408 176.666 176.300 -0.069 0.000 0.976 40 D CA 3.016 56.982 54.000 -0.058 0.000 0.853 40 D CB -0.005 40.769 40.800 -0.044 0.000 0.939 40 D HN -0.162 8.167 8.370 -0.068 0.000 0.481 41 A N -4.722 118.041 122.820 -0.096 0.000 2.276 41 A HA -0.160 4.098 4.320 -0.103 0.000 0.212 41 A C -1.093 176.408 177.584 -0.137 0.000 1.230 41 A CA 0.226 52.190 52.037 -0.122 0.000 0.844 41 A CB -0.381 18.523 19.000 -0.161 0.000 0.860 41 A HN -0.796 7.134 8.150 -0.106 0.157 0.486 42 D N -5.412 114.923 120.400 -0.108 0.000 2.945 42 D HA -0.369 4.220 4.640 -0.085 0.000 0.225 42 D C -0.688 175.540 176.300 -0.121 0.000 1.158 42 D CA 1.037 54.977 54.000 -0.101 0.000 0.805 42 D CB -1.042 39.706 40.800 -0.087 0.000 1.098 42 D HN -0.309 7.757 8.370 -0.094 0.247 0.426 43 V N -0.140 119.689 119.914 -0.141 0.000 2.637 43 V HA -0.183 3.846 4.120 -0.152 0.000 0.296 43 V C 0.090 176.108 176.094 -0.127 0.000 1.046 43 V CA 0.434 62.643 62.300 -0.151 0.000 1.066 43 V CB 0.140 31.850 31.823 -0.188 0.000 0.968 43 V HN -0.493 7.580 8.190 -0.145 0.030 0.483 44 N N 5.711 124.334 118.700 -0.129 0.000 2.353 44 N HA -0.309 4.502 4.740 -0.093 -0.127 0.248 44 N C 0.801 176.235 175.510 -0.126 0.000 1.240 44 N CA 0.837 53.815 53.050 -0.120 0.000 0.862 44 N CB 1.914 40.320 38.487 -0.135 0.000 1.086 44 N HN -0.383 7.917 8.380 -0.133 0.000 0.453 45 L N 4.892 126.062 121.223 -0.089 0.000 2.046 45 L HA -0.153 4.145 4.340 -0.071 0.000 0.208 45 L C 1.606 178.432 176.870 -0.073 0.000 1.077 45 L CA 3.082 57.880 54.840 -0.070 0.000 0.747 45 L CB 0.127 42.160 42.059 -0.043 0.000 0.896 45 L HN 0.637 8.823 8.230 -0.074 0.000 0.432 46 E N -1.632 118.519 120.200 -0.082 0.000 2.077 46 E HA -0.381 3.962 4.350 -0.012 0.000 0.193 46 E C 1.936 178.438 176.600 -0.163 0.000 0.989 46 E CA 3.138 59.500 56.400 -0.062 0.000 0.800 46 E CB -0.187 29.521 29.700 0.014 0.000 0.746 46 E HN -0.611 7.834 8.360 -0.079 -0.132 0.452 47 V N 0.521 120.201 119.914 -0.390 0.000 2.295 47 V HA -0.409 3.357 4.120 -0.590 0.000 0.246 47 V C 1.977 178.011 176.094 -0.100 0.000 1.049 47 V CA 3.879 65.922 62.300 -0.429 0.000 1.024 47 V CB -0.462 31.109 31.823 -0.420 0.000 0.648 47 V HN -0.801 7.345 8.190 -0.383 -0.185 0.447 48 A N -1.107 121.654 122.820 -0.098 0.000 1.877 48 A HA -0.348 3.925 4.320 -0.078 0.000 0.216 48 A C 2.160 179.766 177.584 0.037 0.000 1.186 48 A CA 3.332 55.335 52.037 -0.056 0.000 0.620 48 A CB -0.750 18.192 19.000 -0.097 0.000 0.822 48 A HN -0.064 8.007 8.150 -0.131 0.000 0.443 49 R N -2.567 117.946 120.500 0.021 0.000 2.081 49 R HA -0.395 3.975 4.340 0.050 0.000 0.235 49 R C 2.343 178.696 176.300 0.088 0.000 1.131 49 R CA 3.852 59.981 56.100 0.049 0.000 0.960 49 R CB -0.219 30.100 30.300 0.031 0.000 0.856 49 R HN -0.386 7.879 8.270 -0.008 0.000 0.436 50 D N -0.358 120.103 120.400 0.102 0.000 2.144 50 D HA -0.236 4.466 4.640 0.102 0.000 0.199 50 D C 2.150 178.537 176.300 0.145 0.000 0.984 50 D CA 3.247 57.325 54.000 0.129 0.000 0.834 50 D CB -0.485 40.431 40.800 0.193 0.000 0.955 50 D HN -0.335 8.085 8.370 0.083 0.000 0.465 51 F N 1.320 121.278 119.950 0.013 0.000 2.075 51 F HA -0.420 4.120 4.527 0.022 0.000 0.297 51 F C 0.969 176.777 175.800 0.013 0.000 1.113 51 F CA 3.832 61.840 58.000 0.013 0.000 1.218 51 F CB 0.160 39.158 39.000 -0.003 0.000 0.984 51 F HN -0.192 8.282 8.300 0.290 0.000 0.472 52 V N -3.593 116.530 119.914 0.348 0.000 2.427 52 V HA -0.454 3.815 4.120 0.248 0.000 0.248 52 V C 1.440 177.586 176.094 0.086 0.000 1.051 52 V CA 3.828 66.257 62.300 0.214 0.000 1.048 52 V CB -0.735 31.190 31.823 0.170 0.000 0.666 52 V HN -0.573 7.815 8.190 0.330 0.000 0.456 53 E N 0.926 121.168 120.200 0.069 0.000 2.085 53 E HA -0.415 3.954 4.350 0.031 0.000 0.194 53 E C 1.767 178.367 176.600 0.000 0.000 0.994 53 E CA 2.882 59.302 56.400 0.033 0.000 0.801 53 E CB -0.411 29.310 29.700 0.036 0.000 0.743 53 E HN -0.426 7.986 8.360 0.087 0.000 0.453 54 R N -0.875 119.609 120.500 -0.027 0.000 2.097 54 R HA -0.308 3.998 4.340 -0.057 0.000 0.236 54 R C 2.176 178.420 176.300 -0.093 0.000 1.135 54 R CA 2.767 58.819 56.100 -0.080 0.000 0.934 54 R CB -0.672 29.537 30.300 -0.152 0.000 0.846 54 R HN -0.353 7.908 8.270 -0.014 0.000 0.431 55 V N -0.476 119.364 119.914 -0.124 0.000 2.282 55 V HA -0.522 3.532 4.120 -0.110 0.000 0.249 55 V C 1.769 177.847 176.094 -0.027 0.000 1.057 55 V CA 4.808 67.056 62.300 -0.087 0.000 1.032 55 V CB -0.498 31.294 31.823 -0.053 0.000 0.645 55 V HN -0.266 7.839 8.190 -0.142 0.000 0.447 56 R N -0.519 119.978 120.500 -0.004 0.000 2.080 56 R HA -0.493 3.853 4.340 0.011 0.000 0.236 56 R C 2.016 178.314 176.300 -0.004 0.000 1.137 56 R CA 4.060 60.163 56.100 0.005 0.000 0.943 56 R CB -0.208 30.101 30.300 0.014 0.000 0.846 56 R HN 0.149 8.420 8.270 0.003 0.000 0.431 57 E N -1.427 118.766 120.200 -0.011 0.000 2.051 57 E HA -0.373 3.973 4.350 -0.007 0.000 0.192 57 E C 2.695 179.285 176.600 -0.016 0.000 0.991 57 E CA 3.390 59.783 56.400 -0.012 0.000 0.799 57 E CB -0.243 29.448 29.700 -0.015 0.000 0.748 57 E HN -0.382 7.970 8.360 -0.014 0.000 0.449 58 E N -1.435 118.749 120.200 -0.026 0.000 2.106 58 E HA -0.242 4.095 4.350 -0.022 0.000 0.192 58 E C 2.410 179.001 176.600 -0.014 0.000 0.984 58 E CA 2.364 58.748 56.400 -0.025 0.000 0.806 58 E CB -0.495 29.180 29.700 -0.042 0.000 0.750 58 E HN -0.190 8.150 8.360 -0.035 0.000 0.458 59 A N -0.070 122.744 122.820 -0.010 0.000 1.898 59 A HA -0.185 4.136 4.320 0.001 0.000 0.216 59 A C 2.087 179.671 177.584 0.001 0.000 1.181 59 A CA 3.000 55.036 52.037 -0.000 0.000 0.620 59 A CB -0.385 18.619 19.000 0.006 0.000 0.819 59 A HN 0.122 8.264 8.150 -0.013 0.000 0.442 60 L N -2.959 118.264 121.223 0.000 0.000 2.093 60 L HA -0.341 4.000 4.340 0.003 0.000 0.208 60 L C 3.043 179.912 176.870 -0.000 0.000 1.085 60 L CA 2.342 57.182 54.840 0.001 0.000 0.755 60 L CB -0.407 41.653 42.059 0.002 0.000 0.904 60 L HN -0.148 8.082 8.230 -0.001 0.000 0.435 61 G N -1.298 107.500 108.800 -0.003 0.000 2.448 61 G HA2 -0.265 3.692 3.960 -0.006 0.000 0.219 61 G HA3 -0.265 3.694 3.960 -0.003 0.000 0.219 61 G C 0.287 175.186 174.900 -0.002 0.000 1.127 61 G CA 1.522 46.620 45.100 -0.003 0.000 0.766 61 G HN -0.109 8.178 8.290 -0.005 0.000 0.552 62 K N -0.828 119.572 120.400 -0.000 0.000 2.469 62 K HA 0.099 4.420 4.320 0.002 0.000 0.201 62 K C -1.305 175.297 176.600 0.003 0.000 1.028 62 K CA -0.801 55.487 56.287 0.002 0.000 1.170 62 K CB -0.194 32.309 32.500 0.004 0.000 0.874 62 K HN -0.702 7.422 8.250 -0.001 0.125 0.507 63 Q N -3.899 115.903 119.800 0.003 0.000 2.463 63 Q HA -0.431 3.911 4.340 0.003 0.000 0.299 63 Q C 0.461 176.464 176.000 0.005 0.000 1.353 63 Q CA 0.719 56.524 55.803 0.003 0.000 0.828 63 Q CB -2.895 25.845 28.738 0.003 0.000 1.157 63 Q HN -0.287 7.804 8.270 0.002 0.180 0.436 64 V N -0.805 119.112 119.914 0.006 0.000 2.453 64 V HA -0.387 3.737 4.120 0.008 0.000 0.252 64 V C 0.478 176.576 176.094 0.007 0.000 1.068 64 V CA 3.038 65.343 62.300 0.008 0.000 1.070 64 V CB -0.105 31.724 31.823 0.009 0.000 0.664 64 V HN -0.357 7.837 8.190 0.005 0.000 0.461 65 L N -6.725 114.502 121.223 0.006 0.000 2.478 65 L HA -0.108 4.236 4.340 0.007 0.000 0.223 65 L C 0.865 177.738 176.870 0.005 0.000 1.140 65 L CA 1.498 56.342 54.840 0.006 0.000 0.842 65 L CB -0.480 41.582 42.059 0.006 0.000 0.953 65 L HN -0.161 8.056 8.230 0.006 0.017 0.452 66 E N -4.197 116.005 120.200 0.005 0.000 2.415 66 E HA 0.067 4.419 4.350 0.004 0.000 0.197 66 E C -0.007 176.596 176.600 0.004 0.000 1.007 66 E CA -0.109 56.294 56.400 0.004 0.000 0.890 66 E CB 0.882 30.584 29.700 0.003 0.000 0.891 66 E HN -0.648 7.577 8.360 0.005 0.138 0.496 67 S N 1.018 116.721 115.700 0.005 0.000 2.549 67 S HA -0.071 4.401 4.470 0.004 0.000 0.283 67 S C 0.779 175.382 174.600 0.004 0.000 1.320 67 S CA 0.236 58.438 58.200 0.005 0.000 1.058 67 S CB 0.112 63.315 63.200 0.006 0.000 0.882 67 S HN -0.668 7.541 8.310 0.005 0.104 0.498 68 L N 2.401 123.626 121.223 0.003 0.000 2.478 68 L HA 0.009 4.351 4.340 0.003 0.000 0.223 68 L C 0.148 177.020 176.870 0.003 0.000 1.140 68 L CA 1.212 56.053 54.840 0.003 0.000 0.842 68 L CB 0.206 42.266 42.059 0.002 0.000 0.953 68 L HN 0.373 8.604 8.230 0.003 0.000 0.452 69 T N -6.697 107.860 114.554 0.004 0.000 3.514 69 T HA 0.469 4.821 4.350 0.004 0.000 0.259 69 T C -1.585 173.118 174.700 0.006 0.000 1.466 69 T CA -3.302 58.800 62.100 0.004 0.000 1.562 69 T CB -0.154 68.715 68.868 0.002 0.000 0.924 69 T HN -0.476 7.727 8.240 0.004 0.039 0.678 70 P HA -0.199 4.227 4.420 0.010 0.000 0.220 70 P C 1.025 178.332 177.300 0.013 0.000 1.148 70 P CA 2.226 65.332 63.100 0.010 0.000 0.803 70 P CB -0.113 31.594 31.700 0.011 0.000 0.782 71 A N -2.453 120.374 122.820 0.011 0.000 1.940 71 A HA -0.293 4.037 4.320 0.017 0.000 0.219 71 A C 2.180 179.772 177.584 0.012 0.000 1.176 71 A CA 3.187 55.231 52.037 0.013 0.000 0.631 71 A CB -0.838 18.167 19.000 0.009 0.000 0.814 71 A HN 0.436 8.579 8.150 0.009 0.012 0.446 72 E N -1.676 118.528 120.200 0.008 0.000 2.106 72 E HA -0.254 4.097 4.350 0.002 0.000 0.192 72 E C 2.476 179.084 176.600 0.013 0.000 0.984 72 E CA 2.660 59.063 56.400 0.005 0.000 0.806 72 E CB -0.465 29.235 29.700 0.001 0.000 0.750 72 E HN -0.594 7.770 8.360 0.006 0.000 0.458 73 V N 0.315 120.238 119.914 0.015 0.000 2.343 73 V HA -0.397 3.735 4.120 0.019 0.000 0.247 73 V C 2.028 178.138 176.094 0.026 0.000 1.051 73 V CA 4.345 66.656 62.300 0.019 0.000 1.036 73 V CB -0.355 31.476 31.823 0.014 0.000 0.654 73 V HN -0.842 7.356 8.190 0.013 0.000 0.451 74 I N -0.508 120.079 120.570 0.029 0.000 2.439 74 I HA -0.239 3.954 4.170 0.038 0.000 0.251 74 I C 2.138 178.288 176.117 0.055 0.000 1.139 74 I CA 3.606 64.930 61.300 0.040 0.000 1.438 74 I CB -0.073 37.950 38.000 0.039 0.000 1.085 74 I HN -0.091 8.134 8.210 0.025 0.000 0.427 75 L N 0.650 121.901 121.223 0.046 0.000 1.989 75 L HA -0.420 3.958 4.340 0.064 0.000 0.211 75 L C 1.317 178.237 176.870 0.083 0.000 1.071 75 L CA 3.530 58.400 54.840 0.050 0.000 0.749 75 L CB -0.633 41.433 42.059 0.012 0.000 0.890 75 L HN -0.075 8.175 8.230 0.034 0.000 0.431 76 A N -3.038 119.824 122.820 0.070 0.000 1.933 76 A HA -0.358 4.055 4.320 0.156 0.000 0.218 76 A C 1.921 179.578 177.584 0.121 0.000 1.175 76 A CA 3.174 55.278 52.037 0.112 0.000 0.628 76 A CB -0.690 18.353 19.000 0.071 0.000 0.814 76 A HN -0.070 8.109 8.150 0.048 0.000 0.444 77 T N 1.150 115.742 114.554 0.064 0.000 2.942 77 T HA -0.220 4.129 4.350 -0.002 0.000 0.265 77 T C 1.652 176.346 174.700 -0.010 0.000 1.062 77 T CA 5.227 67.335 62.100 0.013 0.000 1.139 77 T CB -0.212 68.655 68.868 -0.003 0.000 0.883 77 T HN -0.496 7.778 8.240 0.056 0.000 0.468 78 V N 2.176 122.128 119.914 0.062 0.000 2.427 78 V HA -0.398 3.749 4.120 0.045 0.000 0.248 78 V C 0.976 177.177 176.094 0.179 0.000 1.051 78 V CA 3.898 66.272 62.300 0.123 0.000 1.048 78 V CB -0.740 31.208 31.823 0.208 0.000 0.666 78 V HN 0.168 8.408 8.190 0.083 0.000 0.456 79 Y N 1.236 121.563 120.300 0.044 0.000 2.181 79 Y HA -0.492 4.101 4.550 0.072 0.000 0.288 79 Y C 0.986 176.899 175.900 0.022 0.000 1.146 79 Y CA 3.309 61.437 58.100 0.045 0.000 1.164 79 Y CB -0.184 38.293 38.460 0.028 0.000 0.982 79 Y HN -0.010 8.441 8.280 0.285 0.000 0.515 80 E N -0.449 119.705 120.200 -0.077 0.000 2.106 80 E HA -0.381 3.783 4.350 -0.310 0.000 0.192 80 E C 1.284 177.776 176.600 -0.180 0.000 0.984 80 E CA 2.159 58.446 56.400 -0.189 0.000 0.806 80 E CB -0.513 29.125 29.700 -0.103 0.000 0.750 80 E HN -0.432 7.950 8.360 0.036 0.000 0.458 81 A N -0.640 122.050 122.820 -0.218 0.000 1.929 81 A HA -0.141 3.981 4.320 -0.330 0.000 0.216 81 A C 2.332 179.842 177.584 -0.124 0.000 1.176 81 A CA 3.054 54.849 52.037 -0.404 0.000 0.628 81 A CB -0.689 17.694 19.000 -1.028 0.000 0.816 81 A HN -0.278 7.751 8.150 -0.201 0.000 0.444 82 L N -1.563 119.732 121.223 0.119 0.000 2.017 82 L HA -0.512 4.121 4.340 0.489 0.000 0.208 82 L C 1.942 178.886 176.870 0.123 0.000 1.073 82 L CA 3.147 58.163 54.840 0.295 0.000 0.745 82 L CB -0.415 41.820 42.059 0.293 0.000 0.894 82 L HN 0.114 8.403 8.230 0.098 0.000 0.432 83 K N -0.382 119.997 120.400 -0.036 0.000 2.032 83 K HA -0.451 3.844 4.320 -0.042 0.000 0.209 83 K C 2.320 178.913 176.600 -0.012 0.000 1.048 83 K CA 3.432 59.668 56.287 -0.085 0.000 0.927 83 K CB -0.201 32.130 32.500 -0.281 0.000 0.712 83 K HN -0.175 8.006 8.250 -0.114 0.000 0.441 84 E N -1.018 119.165 120.200 -0.028 0.000 2.031 84 E HA -0.319 4.030 4.350 -0.002 0.000 0.193 84 E C 2.326 178.964 176.600 0.063 0.000 0.994 84 E CA 2.802 59.202 56.400 0.000 0.000 0.800 84 E CB -0.439 29.241 29.700 -0.033 0.000 0.752 84 E HN -0.267 8.054 8.360 -0.065 0.000 0.447 85 A N -0.800 122.087 122.820 0.112 0.000 1.940 85 A HA -0.283 4.128 4.320 0.152 0.000 0.219 85 A C 1.922 179.596 177.584 0.150 0.000 1.176 85 A CA 3.110 55.245 52.037 0.164 0.000 0.631 85 A CB -0.380 18.782 19.000 0.269 0.000 0.814 85 A HN -0.300 7.919 8.150 0.115 0.000 0.446 86 L N -8.469 112.858 121.223 0.174 0.000 2.554 86 L HA -0.103 4.392 4.340 0.259 0.000 0.226 86 L C 0.729 177.752 176.870 0.255 0.000 1.137 86 L CA 0.414 55.406 54.840 0.253 0.000 0.863 86 L CB 0.219 42.454 42.059 0.292 0.000 0.985 86 L HN -0.608 7.686 8.230 0.163 0.034 0.451 87 G N -5.358 103.531 108.800 0.148 0.000 2.425 87 G HA2 -0.151 3.894 3.960 0.140 0.000 0.177 87 G HA3 -0.151 3.851 3.960 0.069 0.000 0.177 87 G C 0.094 175.039 174.900 0.075 0.000 0.999 87 G CA -0.418 44.746 45.100 0.108 0.000 0.723 87 G HN -0.389 7.699 8.290 0.118 0.273 0.491 88 G N 1.740 110.576 108.800 0.060 0.000 5.219 88 G HA2 -0.386 3.586 3.960 0.019 0.000 0.267 88 G HA3 -0.386 3.730 3.960 -0.000 -0.156 0.267 88 G C -1.590 173.325 174.900 0.025 0.000 1.495 88 G CA 0.317 45.431 45.100 0.023 0.000 0.988 88 G HN 0.106 8.435 8.290 0.066 0.000 0.707 89 E N 2.288 122.515 120.200 0.045 0.000 2.336 89 E HA 0.133 4.518 4.350 0.058 0.000 0.267 89 E C -1.249 175.405 176.600 0.090 0.000 0.906 89 E CA -2.070 54.366 56.400 0.059 0.000 0.781 89 E CB 2.628 32.356 29.700 0.046 0.000 1.261 89 E HN -0.546 7.842 8.360 0.047 0.000 0.436 90 A N 1.805 124.694 122.820 0.115 0.000 2.498 90 A HA -0.114 4.279 4.320 0.122 0.000 0.239 90 A C 0.082 177.714 177.584 0.080 0.000 1.068 90 A CA 0.887 52.996 52.037 0.119 0.000 0.766 90 A CB 0.555 19.675 19.000 0.200 0.000 1.003 90 A HN 0.337 8.561 8.150 0.124 0.000 0.497 91 R N 1.905 122.445 120.500 0.068 0.000 2.686 91 R HA 0.350 4.726 4.340 0.061 0.000 0.283 91 R C -1.837 174.476 176.300 0.022 0.000 0.978 91 R CA -0.903 55.248 56.100 0.085 0.000 0.897 91 R CB 2.962 33.357 30.300 0.158 0.000 1.192 91 R HN 0.399 8.710 8.270 0.068 0.000 0.457 92 L N 1.174 122.327 121.223 -0.118 0.000 2.376 92 L HA 0.465 4.380 4.340 -0.709 0.000 0.258 92 L C -2.242 174.293 176.870 -0.557 0.000 1.013 92 L CA -3.263 51.313 54.840 -0.439 0.000 0.822 92 L CB 2.223 44.153 42.059 -0.216 0.000 1.388 92 L HN 0.288 8.477 8.230 -0.067 0.000 0.413 93 P HA -0.074 3.986 4.420 -0.600 0.000 0.269 93 P C -1.181 176.029 177.300 -0.150 0.000 1.209 93 P CA -0.535 62.182 63.100 -0.638 0.000 0.776 93 P CB 0.129 31.229 31.700 -1.000 0.000 0.876 94 V N 2.115 121.997 119.914 -0.052 0.000 2.508 94 V HA -0.097 4.060 4.120 0.062 0.000 0.281 94 V C 0.018 176.208 176.094 0.159 0.000 1.041 94 V CA 0.193 62.527 62.300 0.057 0.000 1.016 94 V CB 0.332 32.181 31.823 0.044 0.000 0.984 94 V HN 0.162 8.303 8.190 -0.080 0.000 0.478 95 L N 7.972 129.294 121.223 0.165 0.000 2.276 95 L HA 0.089 4.705 4.340 0.209 -0.151 0.286 95 L C -0.162 176.763 176.870 0.092 0.000 1.061 95 L CA -0.455 54.478 54.840 0.156 0.000 0.807 95 L CB 0.537 42.673 42.059 0.128 0.000 1.177 95 L HN 0.175 8.490 8.230 0.143 0.000 0.429 96 K N 4.330 124.773 120.400 0.071 0.000 2.393 96 K HA 0.254 4.599 4.320 0.041 0.000 0.241 96 K C 0.384 176.988 176.600 0.006 0.000 1.055 96 K CA -2.298 54.014 56.287 0.041 0.000 0.951 96 K CB 1.249 33.778 32.500 0.048 0.000 1.285 96 K HN 0.147 8.789 8.250 0.080 -0.344 0.500 97 D N 0.458 120.859 120.400 0.001 0.000 2.144 97 D HA -0.203 4.428 4.640 -0.015 0.000 0.199 97 D C 0.169 176.448 176.300 -0.035 0.000 0.984 97 D CA 2.350 56.342 54.000 -0.014 0.000 0.834 97 D CB 0.369 41.165 40.800 -0.007 0.000 0.955 97 D HN 0.171 8.546 8.370 0.009 0.000 0.465 98 R N -3.256 117.224 120.500 -0.033 0.000 2.621 98 R HA 0.184 4.613 4.340 -0.083 -0.138 0.292 98 R C -1.461 174.800 176.300 -0.065 0.000 0.969 98 R CA -0.968 55.098 56.100 -0.057 0.000 0.887 98 R CB 3.151 33.429 30.300 -0.037 0.000 1.180 98 R HN -0.515 7.745 8.270 -0.017 0.000 0.450 99 N N 1.660 120.272 118.700 -0.147 0.000 2.287 99 N HA 0.475 5.356 4.740 -0.042 -0.166 0.289 99 N C -2.463 172.886 175.510 -0.268 0.000 1.066 99 N CA -0.627 52.299 53.050 -0.207 0.000 0.841 99 N CB 4.357 42.548 38.487 -0.493 0.000 1.599 99 N HN -0.054 8.217 8.380 -0.181 0.000 0.476 100 L N 3.023 124.194 121.223 -0.086 0.000 2.404 100 L HA 0.616 5.085 4.340 -0.095 -0.186 0.272 100 L C -2.802 174.244 176.870 0.293 0.000 0.980 100 L CA -0.770 54.075 54.840 0.009 0.000 0.836 100 L CB 2.892 44.991 42.059 0.068 0.000 1.238 100 L HN 0.620 9.219 8.230 0.069 -0.328 0.408 101 W N 3.622 124.971 121.300 0.083 0.000 2.666 101 W HA 0.681 5.549 4.660 0.065 -0.169 0.334 101 W C -1.249 175.449 176.519 0.298 0.000 1.051 101 W CA -3.725 53.687 57.345 0.112 0.000 1.224 101 W CB 2.738 32.234 29.460 0.061 0.000 1.405 101 W HN 0.858 9.143 8.180 0.174 0.000 0.513 102 F N -0.553 119.535 119.950 0.230 0.000 2.379 102 F HA 0.472 5.220 4.527 0.121 -0.148 0.332 102 F C -0.743 175.125 175.800 0.114 0.000 1.096 102 F CA -2.777 55.304 58.000 0.135 0.000 1.105 102 F CB 1.794 40.849 39.000 0.092 0.000 1.189 102 F HN 0.334 8.909 8.300 0.457 0.000 0.515 103 L N 1.562 122.915 121.223 0.218 0.000 2.305 103 L HA 0.741 5.331 4.340 0.107 -0.186 0.284 103 L C -0.904 175.988 176.870 0.036 0.000 1.013 103 L CA -1.474 53.428 54.840 0.104 0.000 0.819 103 L CB 0.517 42.613 42.059 0.062 0.000 1.227 103 L HN 0.531 8.849 8.230 0.146 0.000 0.417 104 V N -2.125 117.775 119.914 -0.024 0.000 3.046 104 V HA 0.814 4.906 4.120 -0.047 0.000 0.316 104 V C -1.360 174.525 176.094 -0.348 0.000 1.104 104 V CA -3.493 58.733 62.300 -0.124 0.000 1.006 104 V CB 3.497 35.281 31.823 -0.065 0.000 1.058 104 V HN 0.332 8.495 8.190 -0.044 0.000 0.440 105 G N -1.651 106.880 108.800 -0.449 0.000 2.368 105 G HA2 0.043 3.824 3.960 -0.298 0.000 0.302 105 G HA3 0.043 3.524 3.960 -0.797 0.000 0.302 105 G C -2.140 172.733 174.900 -0.046 0.000 1.329 105 G CA -0.062 44.780 45.100 -0.430 0.000 0.935 105 G HN -0.328 7.793 8.290 -0.282 0.000 0.590 106 L N -1.540 119.698 121.223 0.025 0.000 2.439 106 L HA 0.204 4.728 4.340 0.151 -0.094 0.261 106 L C 0.138 177.035 176.870 0.044 0.000 1.153 106 L CA -0.708 54.190 54.840 0.097 0.000 0.808 106 L CB 1.311 43.431 42.059 0.101 0.000 1.126 106 L HN 0.376 8.596 8.230 -0.017 0.000 0.460 107 Q N 2.171 122.001 119.800 0.049 0.000 2.286 107 Q HA -0.179 4.174 4.340 0.021 0.000 0.290 107 Q C 0.893 176.907 176.000 0.023 0.000 1.049 107 Q CA 1.278 57.098 55.803 0.029 0.000 0.923 107 Q CB 0.431 29.186 28.738 0.028 0.000 1.183 107 Q HN -0.174 8.084 8.270 0.062 0.049 0.383 108 G N 2.975 111.784 108.800 0.015 0.000 2.213 108 G HA2 -0.430 3.540 3.960 0.016 0.000 0.236 108 G HA3 -0.430 3.537 3.960 0.012 0.000 0.236 108 G C 0.095 175.000 174.900 0.009 0.000 0.991 108 G CA 0.520 45.628 45.100 0.013 0.000 0.629 108 G HN 0.310 8.607 8.290 0.012 0.000 0.517 109 S N 0.128 115.831 115.700 0.004 0.000 2.522 109 S HA -0.092 4.377 4.470 -0.002 0.000 0.227 109 S C 1.200 175.796 174.600 -0.006 0.000 0.986 109 S CA 1.113 59.310 58.200 -0.006 0.000 0.929 109 S CB 0.427 63.611 63.200 -0.027 0.000 0.769 109 S HN -0.539 7.661 8.310 0.004 0.113 0.529 110 G N 1.581 110.380 108.800 -0.003 0.000 2.132 110 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.234 110 G HA3 -0.396 3.565 3.960 0.000 0.000 0.234 110 G C 0.301 175.196 174.900 -0.009 0.000 0.989 110 G CA 0.354 45.452 45.100 -0.003 0.000 0.676 110 G HN -0.003 8.240 8.290 -0.001 0.047 0.522 111 K N 0.414 120.805 120.400 -0.016 0.000 2.009 111 K HA -0.373 3.932 4.320 -0.024 0.000 0.210 111 K C 0.998 177.591 176.600 -0.012 0.000 1.049 111 K CA 3.830 60.105 56.287 -0.021 0.000 0.929 111 K CB -0.078 32.404 32.500 -0.031 0.000 0.714 111 K HN -0.735 7.505 8.250 -0.016 0.000 0.440 112 T N -0.596 113.953 114.554 -0.008 0.000 2.737 112 T HA -0.251 4.206 4.350 -0.007 -0.111 0.265 112 T C 2.283 176.980 174.700 -0.004 0.000 1.038 112 T CA 4.876 66.973 62.100 -0.006 0.000 1.144 112 T CB -1.095 67.770 68.868 -0.005 0.000 0.866 112 T HN 0.226 8.461 8.240 -0.007 0.000 0.434 113 T N 3.675 118.227 114.554 -0.003 0.000 2.684 113 T HA -0.334 4.016 4.350 -0.000 0.000 0.267 113 T C 1.534 176.230 174.700 -0.006 0.000 1.036 113 T CA 4.891 66.990 62.100 -0.002 0.000 1.148 113 T CB -0.957 67.911 68.868 0.000 0.000 0.863 113 T HN 0.207 8.445 8.240 -0.003 0.000 0.436 114 T N 4.398 118.945 114.554 -0.012 0.000 2.759 114 T HA -0.426 3.903 4.350 -0.035 0.000 0.269 114 T C 1.235 175.921 174.700 -0.024 0.000 1.042 114 T CA 5.177 67.261 62.100 -0.026 0.000 1.140 114 T CB -0.719 68.134 68.868 -0.026 0.000 0.864 114 T HN -0.052 8.182 8.240 -0.010 0.000 0.455 115 A N 0.265 123.083 122.820 -0.004 0.000 1.883 115 A HA -0.298 4.037 4.320 0.026 0.000 0.217 115 A C 1.583 179.175 177.584 0.014 0.000 1.186 115 A CA 3.161 55.206 52.037 0.013 0.000 0.624 115 A CB -1.037 17.971 19.000 0.014 0.000 0.822 115 A HN -0.269 7.796 8.150 -0.003 0.083 0.444 116 A N -2.310 120.514 122.820 0.007 0.000 1.898 116 A HA -0.299 4.029 4.320 0.014 0.000 0.216 116 A C 2.196 179.789 177.584 0.015 0.000 1.181 116 A CA 3.089 55.133 52.037 0.011 0.000 0.620 116 A CB -0.796 18.208 19.000 0.007 0.000 0.819 116 A HN -0.532 7.620 8.150 0.003 0.000 0.442 117 K N -1.015 119.387 120.400 0.002 0.000 2.097 117 K HA -0.272 4.057 4.320 0.016 0.000 0.206 117 K C 2.561 179.160 176.600 -0.001 0.000 1.049 117 K CA 3.260 59.546 56.287 -0.001 0.000 0.933 117 K CB -0.098 32.389 32.500 -0.022 0.000 0.717 117 K HN -0.408 7.839 8.250 -0.005 0.000 0.442 118 L N -1.275 119.929 121.223 -0.032 0.000 2.017 118 L HA -0.389 3.889 4.340 -0.104 0.000 0.208 118 L C 1.636 178.615 176.870 0.183 0.000 1.073 118 L CA 3.036 57.878 54.840 0.004 0.000 0.745 118 L CB -0.399 41.666 42.059 0.010 0.000 0.894 118 L HN 0.148 8.354 8.230 -0.041 0.000 0.432 119 A N -0.681 122.209 122.820 0.117 0.000 1.892 119 A HA -0.357 4.040 4.320 0.128 0.000 0.218 119 A C 2.076 179.726 177.584 0.110 0.000 1.188 119 A CA 3.175 55.277 52.037 0.108 0.000 0.631 119 A CB -0.855 18.173 19.000 0.046 0.000 0.822 119 A HN -0.391 7.803 8.150 0.073 0.000 0.447 120 L N -1.330 119.941 121.223 0.080 0.000 2.056 120 L HA -0.320 4.044 4.340 0.039 0.000 0.207 120 L C 1.269 178.173 176.870 0.056 0.000 1.078 120 L CA 2.769 57.643 54.840 0.056 0.000 0.749 120 L CB -0.625 41.460 42.059 0.043 0.000 0.901 120 L HN -0.513 7.759 8.230 0.069 0.000 0.433 121 Y N 0.307 120.577 120.300 -0.051 0.000 2.128 121 Y HA -0.566 3.925 4.550 -0.097 0.000 0.284 121 Y C 1.614 177.419 175.900 -0.159 0.000 1.154 121 Y CA 4.312 62.332 58.100 -0.134 0.000 1.149 121 Y CB 0.223 38.536 38.460 -0.245 0.000 0.976 121 Y HN -0.340 7.974 8.280 0.185 0.077 0.505 122 Y N -3.862 116.476 120.300 0.064 0.000 2.373 122 Y HA -0.370 4.130 4.550 -0.084 0.000 0.293 122 Y C 1.919 177.773 175.900 -0.076 0.000 1.129 122 Y CA 3.522 61.613 58.100 -0.014 0.000 1.226 122 Y CB -0.051 38.445 38.460 0.060 0.000 1.000 122 Y HN -0.154 8.295 8.280 0.282 0.000 0.549 123 K N 1.251 121.691 120.400 0.066 0.000 2.288 123 K HA -0.052 4.483 4.320 0.021 -0.202 0.201 123 K C 2.709 179.288 176.600 -0.035 0.000 1.048 123 K CA 2.384 58.679 56.287 0.014 0.000 0.956 123 K CB -0.125 32.382 32.500 0.012 0.000 0.746 123 K HN 0.006 8.303 8.250 0.078 0.000 0.461 124 G N -0.477 108.270 108.800 -0.089 0.000 2.443 124 G HA2 -0.169 3.691 3.960 -0.166 0.000 0.219 124 G HA3 -0.169 3.741 3.960 -0.084 0.000 0.219 124 G C 0.489 175.302 174.900 -0.145 0.000 1.131 124 G CA 1.537 46.561 45.100 -0.126 0.000 0.775 124 G HN -0.157 8.073 8.290 -0.101 0.000 0.547 125 K N -0.431 119.867 120.400 -0.170 0.000 2.410 125 K HA 0.146 4.395 4.320 -0.119 0.000 0.200 125 K C 0.391 176.980 176.600 -0.018 0.000 1.023 125 K CA -1.394 54.824 56.287 -0.116 0.000 1.149 125 K CB -0.029 32.377 32.500 -0.156 0.000 0.859 125 K HN -0.888 7.080 8.250 -0.183 0.172 0.514 126 G N -1.350 107.442 108.800 -0.014 0.000 2.176 126 G HA2 -0.339 3.623 3.960 0.003 0.000 0.232 126 G HA3 -0.339 3.616 3.960 -0.008 0.000 0.232 126 G C -0.071 174.834 174.900 0.009 0.000 0.986 126 G CA -0.038 45.062 45.100 0.000 0.000 0.643 126 G HN -0.082 8.033 8.290 -0.026 0.159 0.522 127 R N -0.084 120.433 120.500 0.028 0.000 2.583 127 R HA -0.020 4.312 4.340 -0.013 0.000 0.268 127 R C -0.493 175.799 176.300 -0.014 0.000 1.101 127 R CA -1.747 54.355 56.100 0.003 0.000 1.180 127 R CB 0.664 30.967 30.300 0.004 0.000 1.128 127 R HN -0.330 7.971 8.270 0.052 0.000 0.568 128 R N -0.564 119.912 120.500 -0.041 0.000 2.664 128 R HA 0.461 4.784 4.340 -0.029 0.000 0.281 128 R C -2.410 173.852 176.300 -0.062 0.000 1.383 128 R CA -2.122 53.953 56.100 -0.041 0.000 1.563 128 R CB 0.081 30.357 30.300 -0.039 0.000 1.131 128 R HN 0.266 8.868 8.270 -0.059 -0.367 0.599 129 P HA 0.716 5.294 4.420 -0.116 -0.227 0.276 129 P C -1.699 175.567 177.300 -0.056 0.000 1.244 129 P CA -1.303 61.753 63.100 -0.074 0.000 0.801 129 P CB 1.082 32.755 31.700 -0.045 0.000 1.006 130 L N 1.850 123.033 121.223 -0.067 0.000 2.409 130 L HA 0.460 4.779 4.340 -0.034 0.000 0.272 130 L C -2.109 174.737 176.870 -0.040 0.000 0.980 130 L CA -0.973 53.840 54.840 -0.045 0.000 0.826 130 L CB 3.721 45.753 42.059 -0.044 0.000 1.268 130 L HN 0.268 8.443 8.230 -0.090 0.000 0.407 131 L N 6.013 127.221 121.223 -0.025 0.000 2.334 131 L HA 0.534 5.038 4.340 -0.016 -0.173 0.277 131 L C -1.172 175.687 176.870 -0.019 0.000 1.075 131 L CA -0.506 54.323 54.840 -0.017 0.000 0.804 131 L CB 1.672 43.725 42.059 -0.010 0.000 1.174 131 L HN 0.441 8.658 8.230 -0.021 0.000 0.438 132 V N 2.670 122.572 119.914 -0.021 0.000 2.444 132 V HA 0.510 4.811 4.120 -0.024 -0.195 0.294 132 V C -1.758 174.313 176.094 -0.039 0.000 1.022 132 V CA -1.752 60.532 62.300 -0.028 0.000 0.850 132 V CB 2.389 34.194 31.823 -0.029 0.000 0.992 132 V HN 0.363 8.542 8.190 -0.019 0.000 0.426 133 A N 7.446 130.246 122.820 -0.033 0.000 2.506 133 A HA 0.387 4.684 4.320 -0.038 0.000 0.320 133 A C -1.468 176.089 177.584 -0.044 0.000 1.424 133 A CA -1.355 50.661 52.037 -0.035 0.000 1.044 133 A CB 0.211 19.197 19.000 -0.023 0.000 1.140 133 A HN 0.657 8.790 8.150 -0.027 0.000 0.538 134 A N 2.107 124.888 122.820 -0.066 0.000 2.423 134 A HA 0.121 4.403 4.320 -0.064 0.000 0.246 134 A C -1.291 176.256 177.584 -0.062 0.000 1.278 134 A CA -0.648 51.341 52.037 -0.079 0.000 0.903 134 A CB 0.653 19.567 19.000 -0.144 0.000 0.997 134 A HN 0.072 8.178 8.150 -0.073 0.000 0.510 135 D N -0.814 119.560 120.400 -0.043 0.000 2.383 135 D HA -0.017 4.606 4.640 -0.028 0.000 0.245 135 D C 0.760 177.048 176.300 -0.020 0.000 1.263 135 D CA -0.647 53.336 54.000 -0.027 0.000 0.936 135 D CB 0.086 40.875 40.800 -0.018 0.000 1.053 135 D HN -0.356 7.990 8.370 -0.039 0.000 0.507 136 T N 4.231 118.774 114.554 -0.018 0.000 3.163 136 T HA -0.154 4.189 4.350 -0.013 0.000 0.260 136 T C 1.069 175.765 174.700 -0.007 0.000 1.156 136 T CA 1.886 63.979 62.100 -0.012 0.000 1.072 136 T CB -0.401 68.461 68.868 -0.010 0.000 0.937 136 T HN 0.156 8.384 8.240 -0.020 0.000 0.528 137 Q N 0.243 120.039 119.800 -0.006 0.000 2.316 137 Q HA 0.110 4.449 4.340 -0.003 0.000 0.235 137 Q C 0.033 176.031 176.000 -0.003 0.000 0.863 137 Q CA 0.242 56.043 55.803 -0.003 0.000 0.939 137 Q CB 1.706 30.443 28.738 -0.001 0.000 1.108 137 Q HN -0.295 8.212 8.270 -0.007 -0.241 0.522 138 R N -0.182 120.315 120.500 -0.004 0.000 2.443 138 R HA 0.464 4.803 4.340 -0.002 0.000 0.287 138 R C -1.982 174.315 176.300 -0.004 0.000 1.425 138 R CA -2.927 53.171 56.100 -0.003 0.000 1.300 138 R CB 0.203 30.502 30.300 -0.001 0.000 1.129 138 R HN -0.763 7.626 8.270 -0.006 -0.123 0.577 139 P HA -0.218 4.198 4.420 -0.006 0.000 0.216 139 P C 0.694 177.991 177.300 -0.004 0.000 1.150 139 P CA 2.638 65.736 63.100 -0.004 0.000 0.843 139 P CB 0.191 31.889 31.700 -0.003 0.000 0.787 140 A N -4.417 118.401 122.820 -0.003 0.000 1.969 140 A HA -0.254 4.064 4.320 -0.002 0.000 0.218 140 A C 1.628 179.211 177.584 -0.002 0.000 1.169 140 A CA 2.528 54.564 52.037 -0.002 0.000 0.635 140 A CB -0.975 18.025 19.000 -0.000 0.000 0.810 140 A HN 0.217 8.352 8.150 -0.002 0.014 0.445 141 A N -1.577 121.241 122.820 -0.003 0.000 1.929 141 A HA -0.253 4.066 4.320 -0.003 0.000 0.216 141 A C 2.138 179.718 177.584 -0.007 0.000 1.176 141 A CA 2.721 54.756 52.037 -0.004 0.000 0.628 141 A CB -0.725 18.273 19.000 -0.004 0.000 0.816 141 A HN -0.524 7.612 8.150 -0.003 0.012 0.444 142 R N -2.472 118.023 120.500 -0.009 0.000 2.081 142 R HA -0.417 3.915 4.340 -0.013 0.000 0.235 142 R C 2.516 178.811 176.300 -0.008 0.000 1.131 142 R CA 3.729 59.823 56.100 -0.011 0.000 0.960 142 R CB -0.208 30.085 30.300 -0.012 0.000 0.856 142 R HN -0.676 7.589 8.270 -0.008 0.000 0.436 143 E N -1.227 118.970 120.200 -0.006 0.000 2.153 143 E HA -0.227 4.357 4.350 -0.005 -0.237 0.194 143 E C 2.755 179.353 176.600 -0.004 0.000 0.988 143 E CA 2.755 59.153 56.400 -0.004 0.000 0.811 143 E CB -0.674 29.024 29.700 -0.003 0.000 0.746 143 E HN -0.343 8.014 8.360 -0.005 0.000 0.466 144 Q N -1.445 118.353 119.800 -0.003 0.000 2.119 144 Q HA -0.216 4.123 4.340 -0.001 0.000 0.201 144 Q C 2.541 178.539 176.000 -0.003 0.000 0.972 144 Q CA 2.524 58.325 55.803 -0.002 0.000 0.847 144 Q CB -0.657 28.080 28.738 -0.001 0.000 0.903 144 Q HN -0.461 7.794 8.270 -0.004 0.013 0.433 145 L N 0.048 121.268 121.223 -0.005 0.000 2.072 145 L HA -0.214 4.123 4.340 -0.004 0.000 0.205 145 L C 1.300 178.167 176.870 -0.005 0.000 1.079 145 L CA 2.621 57.458 54.840 -0.005 0.000 0.752 145 L CB -0.476 41.577 42.059 -0.009 0.000 0.906 145 L HN -0.622 7.604 8.230 -0.006 0.000 0.436 146 R N -0.683 119.814 120.500 -0.006 0.000 2.083 146 R HA -0.471 3.866 4.340 -0.006 0.000 0.237 146 R C 2.184 178.482 176.300 -0.003 0.000 1.137 146 R CA 3.950 60.047 56.100 -0.005 0.000 0.951 146 R CB -0.203 30.094 30.300 -0.005 0.000 0.851 146 R HN -0.411 7.856 8.270 -0.006 0.000 0.434 147 L N -1.672 119.550 121.223 -0.002 0.000 2.046 147 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 147 L C 2.398 179.268 176.870 0.000 0.000 1.077 147 L CA 3.419 58.258 54.840 -0.001 0.000 0.747 147 L CB -0.326 41.733 42.059 -0.000 0.000 0.896 147 L HN -0.309 7.919 8.230 -0.002 0.000 0.432 148 L N -2.424 118.799 121.223 0.000 0.000 2.072 148 L HA -0.502 3.840 4.340 0.003 0.000 0.205 148 L C 2.129 179.000 176.870 0.003 0.000 1.079 148 L CA 3.011 57.852 54.840 0.002 0.000 0.752 148 L CB -0.525 41.535 42.059 0.002 0.000 0.906 148 L HN -0.235 7.995 8.230 -0.000 0.000 0.436 149 G N -1.939 106.862 108.800 0.001 0.000 2.404 149 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.215 149 G HA3 -0.347 3.615 3.960 0.004 0.000 0.215 149 G C 1.338 176.238 174.900 0.001 0.000 1.174 149 G CA 1.800 46.901 45.100 0.001 0.000 0.780 149 G HN 0.111 8.401 8.290 -0.000 0.000 0.537 150 E N 1.820 122.020 120.200 -0.001 0.000 2.153 150 E HA -0.318 4.031 4.350 -0.002 0.000 0.194 150 E C 2.886 179.487 176.600 0.000 0.000 0.988 150 E CA 2.236 58.636 56.400 -0.001 0.000 0.811 150 E CB -0.159 29.540 29.700 -0.002 0.000 0.746 150 E HN -0.169 8.191 8.360 -0.001 0.000 0.466 151 K N 0.597 120.998 120.400 0.002 0.000 2.097 151 K HA -0.220 4.101 4.320 0.002 0.000 0.206 151 K C 1.277 177.880 176.600 0.004 0.000 1.049 151 K CA 2.856 59.145 56.287 0.003 0.000 0.933 151 K CB 0.098 32.600 32.500 0.004 0.000 0.717 151 K HN -0.424 7.815 8.250 0.002 0.011 0.442 152 V N -7.121 112.796 119.914 0.005 0.000 3.649 152 V HA 0.229 4.353 4.120 0.007 0.000 0.275 152 V C -0.278 175.819 176.094 0.005 0.000 1.281 152 V CA -0.983 61.321 62.300 0.007 0.000 1.143 152 V CB 0.153 31.983 31.823 0.011 0.000 0.892 152 V HN -0.670 7.430 8.190 0.005 0.093 0.441 153 G N 0.196 108.997 108.800 0.002 0.000 2.182 153 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.248 153 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.248 153 G C -0.858 174.041 174.900 -0.001 0.000 1.042 153 G CA 0.802 45.901 45.100 -0.000 0.000 0.775 153 G HN -0.564 7.546 8.290 0.002 0.181 0.501 154 V N 0.488 120.401 119.914 -0.001 0.000 2.495 154 V HA 0.401 4.518 4.120 -0.005 0.000 0.298 154 V C -1.987 174.103 176.094 -0.006 0.000 1.031 154 V CA -3.748 58.550 62.300 -0.003 0.000 0.871 154 V CB 2.143 33.967 31.823 0.001 0.000 0.988 154 V HN -0.671 7.519 8.190 0.000 0.000 0.432 155 P HA 0.077 4.491 4.420 -0.009 0.000 0.272 155 P C -2.066 175.226 177.300 -0.012 0.000 1.223 155 P CA -0.478 62.616 63.100 -0.011 0.000 0.784 155 P CB 0.512 32.204 31.700 -0.013 0.000 0.923 156 V N -0.576 119.332 119.914 -0.011 0.000 2.577 156 V HA 0.615 4.935 4.120 -0.013 -0.208 0.303 156 V C -0.370 175.717 176.094 -0.012 0.000 1.042 156 V CA -1.219 61.074 62.300 -0.011 0.000 0.872 156 V CB 2.311 34.128 31.823 -0.009 0.000 0.998 156 V HN 0.025 8.210 8.190 -0.010 0.000 0.423 157 L N 8.391 129.606 121.223 -0.014 0.000 2.296 157 L HA 0.481 4.814 4.340 -0.011 0.000 0.286 157 L C -1.680 175.181 176.870 -0.015 0.000 1.023 157 L CA -1.310 53.522 54.840 -0.013 0.000 0.812 157 L CB 2.660 44.711 42.059 -0.013 0.000 1.223 157 L HN 0.609 8.829 8.230 -0.015 0.000 0.421 158 E N 6.572 126.765 120.200 -0.013 0.000 2.174 158 E HA 0.239 4.579 4.350 -0.017 0.000 0.282 158 E C -0.118 176.474 176.600 -0.014 0.000 0.992 158 E CA -1.485 54.907 56.400 -0.014 0.000 0.803 158 E CB 1.395 31.088 29.700 -0.011 0.000 1.090 158 E HN 0.429 8.782 8.360 -0.011 0.000 0.396 159 V N 1.795 121.699 119.914 -0.017 0.000 3.237 159 V HA 0.088 4.304 4.120 -0.012 -0.103 0.305 159 V C -0.786 175.302 176.094 -0.011 0.000 1.096 159 V CA -0.317 61.974 62.300 -0.015 0.000 1.130 159 V CB 0.708 32.519 31.823 -0.020 0.000 1.048 159 V HN 0.017 8.194 8.190 -0.021 0.000 0.484 160 M N 0.954 120.549 119.600 -0.008 0.000 2.291 160 M HA 0.049 4.525 4.480 -0.006 0.000 0.324 160 M C -0.847 175.449 176.300 -0.006 0.000 1.148 160 M CA -0.036 55.260 55.300 -0.006 0.000 1.104 160 M CB 1.513 34.111 32.600 -0.004 0.000 1.483 160 M HN 0.110 8.734 8.290 -0.007 -0.338 0.467 161 D N 0.756 121.153 120.400 -0.005 0.000 2.487 161 D HA -0.222 4.615 4.640 -0.005 -0.200 0.243 161 D C 1.780 178.078 176.300 -0.003 0.000 1.154 161 D CA 1.560 55.558 54.000 -0.004 0.000 0.876 161 D CB -0.390 40.408 40.800 -0.003 0.000 1.161 161 D HN 0.037 8.405 8.370 -0.004 0.000 0.478 162 G N 4.773 113.571 108.800 -0.003 0.000 2.166 162 G HA2 -0.504 3.456 3.960 -0.000 0.000 0.260 162 G HA3 -0.504 3.456 3.960 -0.001 0.000 0.260 162 G C -0.434 174.466 174.900 -0.000 0.000 0.986 162 G CA 0.445 45.545 45.100 -0.001 0.000 0.683 162 G HN 0.068 8.356 8.290 -0.003 0.000 0.527 163 E N 0.464 120.664 120.200 -0.001 0.000 2.414 163 E HA -0.053 4.298 4.350 0.001 0.000 0.263 163 E C -0.292 176.310 176.600 0.003 0.000 1.000 163 E CA 0.140 56.541 56.400 0.000 0.000 0.914 163 E CB 1.308 31.007 29.700 -0.002 0.000 0.948 163 E HN -0.694 7.630 8.360 -0.003 0.034 0.444 164 S N 6.014 121.717 115.700 0.006 0.000 2.579 164 S HA 0.127 4.604 4.470 0.011 0.000 0.275 164 S C -0.226 174.382 174.600 0.015 0.000 1.345 164 S CA -1.360 56.846 58.200 0.011 0.000 1.031 164 S CB -0.518 62.689 63.200 0.012 0.000 0.892 164 S HN 0.099 8.413 8.310 0.006 0.000 0.529 165 P HA -0.274 4.165 4.420 0.031 0.000 0.216 165 P C 1.501 178.821 177.300 0.034 0.000 1.150 165 P CA 2.689 65.809 63.100 0.033 0.000 0.843 165 P CB 0.032 31.760 31.700 0.047 0.000 0.787 166 E N -2.505 117.712 120.200 0.028 0.000 2.077 166 E HA -0.250 4.118 4.350 0.029 0.000 0.193 166 E C 2.522 179.134 176.600 0.020 0.000 0.989 166 E CA 3.964 60.378 56.400 0.025 0.000 0.800 166 E CB -0.813 28.899 29.700 0.020 0.000 0.746 166 E HN 0.392 8.767 8.360 0.025 0.000 0.452 167 S N 0.598 116.307 115.700 0.015 0.000 2.368 167 S HA -0.187 4.290 4.470 0.011 0.000 0.225 167 S C 1.878 176.485 174.600 0.012 0.000 1.030 167 S CA 3.356 61.563 58.200 0.011 0.000 0.999 167 S CB -0.567 62.638 63.200 0.008 0.000 0.844 167 S HN -0.521 7.798 8.310 0.015 0.000 0.459 168 I N 2.768 123.345 120.570 0.013 0.000 2.163 168 I HA -0.552 3.621 4.170 0.006 0.000 0.243 168 I C 1.525 177.654 176.117 0.020 0.000 1.085 168 I CA 4.099 65.406 61.300 0.012 0.000 1.347 168 I CB -0.466 37.539 38.000 0.009 0.000 1.044 168 I HN -0.138 8.080 8.210 0.014 0.000 0.408 169 R N -0.485 120.033 120.500 0.031 0.000 2.094 169 R HA -0.467 3.900 4.340 0.044 0.000 0.239 169 R C 2.164 178.478 176.300 0.023 0.000 1.137 169 R CA 3.978 60.100 56.100 0.036 0.000 0.943 169 R CB -0.317 30.007 30.300 0.040 0.000 0.850 169 R HN -0.175 8.115 8.270 0.033 0.000 0.433 170 R N -2.628 117.883 120.500 0.018 0.000 2.083 170 R HA -0.254 4.093 4.340 0.012 0.000 0.237 170 R C 2.926 179.231 176.300 0.008 0.000 1.137 170 R CA 2.732 58.839 56.100 0.012 0.000 0.951 170 R CB -0.620 29.686 30.300 0.010 0.000 0.851 170 R HN -0.376 7.905 8.270 0.018 0.000 0.434 171 R N -1.369 119.136 120.500 0.007 0.000 2.090 171 R HA -0.209 4.132 4.340 0.002 0.000 0.228 171 R C 2.510 178.811 176.300 0.002 0.000 1.110 171 R CA 3.381 59.482 56.100 0.003 0.000 0.973 171 R CB -0.136 30.165 30.300 0.001 0.000 0.869 171 R HN -0.328 7.947 8.270 0.008 0.000 0.440 172 V N 0.381 120.298 119.914 0.005 0.000 2.295 172 V HA -0.514 3.605 4.120 -0.001 0.000 0.246 172 V C 1.542 177.637 176.094 0.002 0.000 1.049 172 V CA 4.378 66.681 62.300 0.004 0.000 1.024 172 V CB -0.538 31.294 31.823 0.014 0.000 0.648 172 V HN 0.125 8.321 8.190 0.009 0.000 0.447 173 E N -0.101 120.103 120.200 0.006 0.000 2.058 173 E HA -0.494 3.856 4.350 0.001 0.000 0.194 173 E C 1.942 178.541 176.600 -0.002 0.000 0.997 173 E CA 3.677 60.079 56.400 0.003 0.000 0.801 173 E CB -0.200 29.504 29.700 0.007 0.000 0.746 173 E HN -0.040 8.327 8.360 0.011 0.000 0.450 174 E N -0.854 119.346 120.200 -0.001 0.000 2.077 174 E HA -0.336 4.012 4.350 -0.003 0.000 0.193 174 E C 2.065 178.662 176.600 -0.006 0.000 0.989 174 E CA 3.058 59.456 56.400 -0.003 0.000 0.800 174 E CB -0.071 29.628 29.700 -0.001 0.000 0.746 174 E HN -0.439 7.922 8.360 0.001 0.000 0.452 175 K N -0.644 119.752 120.400 -0.006 0.000 2.057 175 K HA -0.277 4.037 4.320 -0.009 0.000 0.206 175 K C 2.111 178.703 176.600 -0.013 0.000 1.050 175 K CA 3.108 59.389 56.287 -0.009 0.000 0.935 175 K CB -0.077 32.417 32.500 -0.010 0.000 0.715 175 K HN -0.424 7.823 8.250 -0.005 0.000 0.439 176 A N -1.588 121.223 122.820 -0.015 0.000 1.902 176 A HA -0.340 3.964 4.320 -0.026 0.000 0.217 176 A C 1.644 179.216 177.584 -0.019 0.000 1.181 176 A CA 3.283 55.307 52.037 -0.021 0.000 0.623 176 A CB -0.671 18.315 19.000 -0.024 0.000 0.818 176 A HN -0.077 8.066 8.150 -0.013 0.000 0.443 177 R N -0.824 119.668 120.500 -0.014 0.000 2.061 177 R HA -0.307 4.025 4.340 -0.013 0.000 0.230 177 R C 2.987 179.280 176.300 -0.011 0.000 1.140 177 R CA 3.120 59.213 56.100 -0.012 0.000 0.940 177 R CB -0.043 30.252 30.300 -0.008 0.000 0.839 177 R HN -0.440 7.823 8.270 -0.012 0.000 0.429 178 L N -2.250 118.967 121.223 -0.010 0.000 2.081 178 L HA -0.287 4.048 4.340 -0.008 0.000 0.212 178 L C 1.547 178.411 176.870 -0.011 0.000 1.080 178 L CA 2.635 57.470 54.840 -0.009 0.000 0.754 178 L CB 0.133 42.187 42.059 -0.008 0.000 0.893 178 L HN -0.031 8.194 8.230 -0.009 0.000 0.433 179 E N -6.094 114.098 120.200 -0.013 0.000 2.476 179 E HA 0.120 4.462 4.350 -0.013 0.000 0.196 179 E C -0.936 175.653 176.600 -0.018 0.000 1.029 179 E CA -0.932 55.459 56.400 -0.015 0.000 0.896 179 E CB 0.918 30.608 29.700 -0.016 0.000 1.012 179 E HN -0.626 7.706 8.360 -0.014 0.019 0.475 180 A N -0.333 122.476 122.820 -0.019 0.000 2.560 180 A HA -0.448 3.892 4.320 -0.022 -0.033 0.299 180 A C -1.181 176.385 177.584 -0.030 0.000 1.484 180 A CA 0.727 52.751 52.037 -0.022 0.000 0.749 180 A CB -1.593 17.396 19.000 -0.018 0.000 1.072 180 A HN -0.517 7.512 8.150 -0.017 0.111 0.426 181 R N -2.370 118.108 120.500 -0.036 0.000 2.490 181 R HA -0.000 4.535 4.340 -0.050 -0.225 0.278 181 R C 0.214 176.475 176.300 -0.065 0.000 1.069 181 R CA -0.673 55.397 56.100 -0.050 0.000 1.080 181 R CB 0.419 30.688 30.300 -0.051 0.000 1.030 181 R HN -0.486 7.764 8.270 -0.033 0.000 0.491 182 D N -2.423 117.924 120.400 -0.088 0.000 2.520 182 D HA 0.099 4.681 4.640 -0.097 0.000 0.223 182 D C -1.045 175.141 176.300 -0.189 0.000 1.186 182 D CA -0.834 53.100 54.000 -0.110 0.000 0.821 182 D CB 1.917 42.667 40.800 -0.083 0.000 1.072 182 D HN 0.534 8.850 8.370 -0.091 0.000 0.518 183 L N 0.867 121.954 121.223 -0.227 0.000 2.504 183 L HA 0.416 4.609 4.340 -0.486 -0.145 0.265 183 L C -2.893 173.794 176.870 -0.304 0.000 0.975 183 L CA 0.098 54.702 54.840 -0.393 0.000 0.864 183 L CB 2.529 44.294 42.059 -0.491 0.000 1.212 183 L HN -0.932 7.189 8.230 -0.180 0.000 0.416 184 I N 6.402 126.801 120.570 -0.286 0.000 2.321 184 I HA 0.364 4.633 4.170 -0.119 -0.170 0.291 184 I C -1.607 174.439 176.117 -0.119 0.000 0.998 184 I CA -0.840 60.372 61.300 -0.147 0.000 1.227 184 I CB 1.413 39.370 38.000 -0.072 0.000 1.368 184 I HN 0.685 8.697 8.210 -0.330 0.000 0.466 185 L N 7.942 129.130 121.223 -0.057 0.000 2.294 185 L HA 0.499 5.035 4.340 0.088 -0.144 0.283 185 L C -1.242 175.653 176.870 0.042 0.000 1.015 185 L CA -1.154 53.702 54.840 0.027 0.000 0.831 185 L CB 1.329 43.400 42.059 0.019 0.000 1.217 185 L HN 0.644 8.840 8.230 -0.057 0.000 0.420 186 V N 5.324 125.288 119.914 0.083 0.000 2.334 186 V HA 0.128 4.357 4.120 -0.046 -0.136 0.267 186 V C -1.536 174.512 176.094 -0.078 0.000 1.040 186 V CA -0.876 61.404 62.300 -0.033 0.000 0.866 186 V CB 0.431 32.181 31.823 -0.122 0.000 1.019 186 V HN 0.687 8.980 8.190 0.172 0.000 0.468 187 D N 9.310 129.668 120.400 -0.069 0.000 2.393 187 D HA 0.203 4.818 4.640 -0.040 0.000 0.232 187 D C -0.274 175.964 176.300 -0.103 0.000 1.192 187 D CA -1.377 52.587 54.000 -0.060 0.000 0.882 187 D CB 1.290 42.071 40.800 -0.031 0.000 1.038 187 D HN 0.366 8.701 8.370 -0.058 0.000 0.499 188 T N 2.200 116.677 114.554 -0.128 0.000 2.816 188 T HA 0.112 4.359 4.350 -0.172 0.000 0.282 188 T C -0.917 173.753 174.700 -0.050 0.000 0.993 188 T CA -1.661 60.355 62.100 -0.139 0.000 0.994 188 T CB 1.648 70.411 68.868 -0.175 0.000 1.025 188 T HN -0.381 7.793 8.240 -0.110 0.000 0.529 189 A N -0.044 122.760 122.820 -0.027 0.000 2.546 189 A HA -0.188 4.130 4.320 -0.004 0.000 0.243 189 A C -0.038 177.570 177.584 0.040 0.000 1.063 189 A CA 0.863 52.903 52.037 0.005 0.000 0.757 189 A CB 0.103 19.108 19.000 0.008 0.000 0.991 189 A HN 0.073 8.201 8.150 -0.038 0.000 0.503 190 G N 1.457 110.277 108.800 0.033 0.000 2.335 190 G HA2 0.166 4.147 3.960 0.035 0.000 0.316 190 G HA3 0.166 4.323 3.960 0.077 -0.150 0.316 190 G C -1.989 172.940 174.900 0.048 0.000 1.129 190 G CA -0.508 44.622 45.100 0.050 0.000 0.899 190 G HN 0.224 8.525 8.290 0.019 0.000 0.448 191 R N 1.976 122.517 120.500 0.068 0.000 2.888 191 R HA 0.366 4.728 4.340 0.035 0.000 0.266 191 R C 0.688 177.020 176.300 0.053 0.000 1.020 191 R CA -2.051 54.078 56.100 0.048 0.000 0.963 191 R CB 3.246 33.571 30.300 0.040 0.000 1.197 191 R HN 0.069 8.397 8.270 0.097 0.000 0.481 192 L N -0.044 121.201 121.223 0.036 0.000 2.156 192 L HA -0.146 4.216 4.340 0.037 0.000 0.208 192 L C 0.039 176.933 176.870 0.040 0.000 1.095 192 L CA 2.162 57.023 54.840 0.034 0.000 0.770 192 L CB 0.471 42.543 42.059 0.022 0.000 0.914 192 L HN 0.519 8.766 8.230 0.028 0.000 0.439 193 Q N -5.078 114.743 119.800 0.035 0.000 2.587 193 Q HA 0.045 4.411 4.340 0.044 0.000 0.293 193 Q C -1.522 174.491 176.000 0.022 0.000 1.083 193 Q CA -1.672 54.150 55.803 0.031 0.000 0.792 193 Q CB 2.348 31.094 28.738 0.014 0.000 1.484 193 Q HN -0.962 7.325 8.270 0.029 0.000 0.446 194 I N -0.921 119.647 120.570 -0.003 0.000 3.211 194 I HA -0.180 3.940 4.170 -0.084 0.000 0.297 194 I C -0.339 175.736 176.117 -0.070 0.000 1.095 194 I CA 1.108 62.363 61.300 -0.074 0.000 1.239 194 I CB 0.882 38.791 38.000 -0.151 0.000 1.455 194 I HN 0.206 8.417 8.210 0.002 0.000 0.630 195 D N -0.498 119.840 120.400 -0.103 0.000 2.926 195 D HA 0.107 4.705 4.640 -0.070 0.000 0.272 195 D C -0.782 175.470 176.300 -0.080 0.000 1.172 195 D CA -0.426 53.530 54.000 -0.074 0.000 0.731 195 D CB 2.196 42.970 40.800 -0.043 0.000 1.282 195 D HN -0.105 8.177 8.370 -0.147 0.000 0.430 196 E N 2.465 122.630 120.200 -0.058 0.000 2.033 196 E HA -0.248 4.065 4.350 -0.062 0.000 0.199 196 E C -0.942 175.633 176.600 -0.043 0.000 1.011 196 E CA 5.418 61.788 56.400 -0.051 0.000 0.815 196 E CB -0.908 28.771 29.700 -0.035 0.000 0.755 196 E HN 0.518 8.848 8.360 -0.049 0.000 0.451 197 P HA -0.238 4.172 4.420 -0.016 0.000 0.215 197 P C 1.326 178.616 177.300 -0.017 0.000 1.157 197 P CA 2.820 65.908 63.100 -0.019 0.000 0.868 197 P CB -0.377 31.315 31.700 -0.014 0.000 0.788 198 L N -3.293 117.916 121.223 -0.022 0.000 2.083 198 L HA -0.183 4.327 4.340 -0.001 -0.171 0.209 198 L C 1.810 178.669 176.870 -0.018 0.000 1.083 198 L CA 2.820 57.653 54.840 -0.012 0.000 0.752 198 L CB 0.145 42.200 42.059 -0.007 0.000 0.899 198 L HN -0.598 7.877 8.230 -0.027 -0.261 0.433 199 M N -2.484 117.080 119.600 -0.060 0.000 2.229 199 M HA -0.322 4.113 4.480 -0.076 0.000 0.264 199 M C 2.033 178.319 176.300 -0.023 0.000 1.063 199 M CA 1.179 56.432 55.300 -0.079 0.000 1.114 199 M CB -1.377 31.128 32.600 -0.158 0.000 1.387 199 M HN -0.359 7.801 8.290 -0.075 0.084 0.420 200 G N -1.211 107.578 108.800 -0.018 0.000 2.402 200 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.216 200 G HA3 -0.329 3.633 3.960 0.002 0.000 0.216 200 G C 1.156 176.069 174.900 0.021 0.000 1.162 200 G CA 1.917 47.017 45.100 0.001 0.000 0.777 200 G HN 0.287 8.561 8.290 -0.027 0.000 0.539 201 E N 2.436 122.648 120.200 0.020 0.000 2.106 201 E HA -0.306 4.063 4.350 0.032 0.000 0.192 201 E C 2.279 178.915 176.600 0.060 0.000 0.984 201 E CA 2.558 58.977 56.400 0.032 0.000 0.806 201 E CB -0.209 29.503 29.700 0.020 0.000 0.750 201 E HN -0.538 7.828 8.360 0.010 0.000 0.458 202 L N -0.267 121.001 121.223 0.074 0.000 2.056 202 L HA -0.274 4.146 4.340 0.133 0.000 0.207 202 L C 1.352 178.334 176.870 0.186 0.000 1.078 202 L CA 2.881 57.804 54.840 0.138 0.000 0.749 202 L CB -0.581 41.573 42.059 0.159 0.000 0.901 202 L HN -0.042 8.140 8.230 0.056 0.081 0.433 203 A N -1.611 121.280 122.820 0.118 0.000 1.933 203 A HA -0.332 4.055 4.320 0.112 0.000 0.218 203 A C 1.690 179.331 177.584 0.095 0.000 1.175 203 A CA 3.271 55.367 52.037 0.098 0.000 0.628 203 A CB -0.802 18.229 19.000 0.052 0.000 0.814 203 A HN 0.189 8.390 8.150 0.085 0.000 0.444 204 R N -0.826 119.724 120.500 0.084 0.000 2.075 204 R HA -0.209 4.326 4.340 0.062 -0.158 0.232 204 R C 2.055 178.422 176.300 0.112 0.000 1.126 204 R CA 1.716 57.861 56.100 0.075 0.000 0.963 204 R CB -0.554 29.778 30.300 0.053 0.000 0.858 204 R HN -0.533 7.782 8.270 0.075 0.000 0.435 205 L N -0.538 120.776 121.223 0.153 0.000 2.079 205 L HA -0.350 4.089 4.340 0.164 0.000 0.210 205 L C 1.253 178.343 176.870 0.367 0.000 1.081 205 L CA 3.391 58.364 54.840 0.222 0.000 0.752 205 L CB -0.301 41.859 42.059 0.168 0.000 0.896 205 L HN -0.096 8.219 8.230 0.141 0.000 0.433 206 K N -1.030 119.585 120.400 0.359 0.000 2.057 206 K HA -0.452 3.809 4.320 -0.098 0.000 0.207 206 K C 2.141 178.753 176.600 0.019 0.000 1.049 206 K CA 3.725 60.062 56.287 0.084 0.000 0.931 206 K CB -0.324 32.170 32.500 -0.010 0.000 0.714 206 K HN -0.111 8.346 8.250 0.345 0.000 0.440 207 E N -1.625 118.606 120.200 0.053 0.000 2.058 207 E HA -0.327 4.029 4.350 0.011 0.000 0.194 207 E C 2.203 178.827 176.600 0.040 0.000 0.997 207 E CA 2.657 59.076 56.400 0.032 0.000 0.801 207 E CB -0.012 29.709 29.700 0.035 0.000 0.746 207 E HN -0.598 7.807 8.360 0.075 0.000 0.450 208 V N -2.252 117.704 119.914 0.070 0.000 2.407 208 V HA -0.250 3.900 4.120 0.049 0.000 0.245 208 V C 1.644 177.784 176.094 0.077 0.000 1.041 208 V CA 3.295 65.635 62.300 0.067 0.000 1.040 208 V CB 0.275 32.141 31.823 0.072 0.000 0.671 208 V HN -0.585 7.660 8.190 0.092 0.000 0.455 209 L N -3.990 117.306 121.223 0.122 0.000 2.307 209 L HA -0.107 4.301 4.340 0.112 0.000 0.211 209 L C 0.588 177.494 176.870 0.059 0.000 1.099 209 L CA 0.692 55.616 54.840 0.139 0.000 0.816 209 L CB 0.357 42.600 42.059 0.307 0.000 0.952 209 L HN -0.218 8.110 8.230 0.162 0.000 0.455 210 G N -1.111 107.682 108.800 -0.011 0.000 2.350 210 G HA2 -0.217 3.731 3.960 -0.020 0.000 0.298 210 G HA3 -0.217 3.757 3.960 -0.076 -0.059 0.298 210 G C -1.814 173.035 174.900 -0.084 0.000 1.037 210 G CA -0.469 44.599 45.100 -0.054 0.000 1.074 210 G HN -0.361 7.922 8.290 -0.013 0.000 0.511 211 P HA -0.074 4.459 4.420 -0.017 -0.124 0.268 211 P C -0.879 176.384 177.300 -0.061 0.000 1.205 211 P CA -0.389 62.612 63.100 -0.166 0.000 0.771 211 P CB 0.448 31.824 31.700 -0.541 0.000 0.858 212 D N 1.776 122.232 120.400 0.094 0.000 2.277 212 D HA -0.100 4.562 4.640 0.036 0.000 0.208 212 D C -0.145 176.147 176.300 -0.013 0.000 0.962 212 D CA 1.863 55.917 54.000 0.090 0.000 0.865 212 D CB 0.700 41.632 40.800 0.221 0.000 0.939 212 D HN 0.133 8.624 8.370 0.201 0.000 0.510 213 E N -2.139 118.018 120.200 -0.073 0.000 2.340 213 E HA 0.361 4.596 4.350 -0.192 0.000 0.273 213 E C -2.327 174.207 176.600 -0.109 0.000 0.891 213 E CA -1.396 54.847 56.400 -0.262 0.000 0.757 213 E CB 4.502 33.698 29.700 -0.839 0.000 1.231 213 E HN -0.686 7.721 8.360 0.079 0.000 0.439 214 V N 2.811 122.680 119.914 -0.075 0.000 2.380 214 V HA 0.223 4.541 4.120 0.096 -0.141 0.286 214 V C -1.363 174.737 176.094 0.010 0.000 1.015 214 V CA -0.726 61.583 62.300 0.014 0.000 0.834 214 V CB 0.996 32.817 31.823 -0.004 0.000 1.009 214 V HN 0.371 8.511 8.190 -0.085 0.000 0.428 215 L N 7.309 128.563 121.223 0.053 0.000 2.257 215 L HA 0.504 5.042 4.340 -0.001 -0.198 0.290 215 L C -1.534 175.320 176.870 -0.026 0.000 1.044 215 L CA -1.248 53.610 54.840 0.031 0.000 0.810 215 L CB 1.001 43.125 42.059 0.108 0.000 1.193 215 L HN 0.704 8.999 8.230 0.109 0.000 0.425 216 L N 7.040 128.204 121.223 -0.099 0.000 2.260 216 L HA 0.479 4.840 4.340 -0.260 -0.177 0.289 216 L C -1.747 175.029 176.870 -0.156 0.000 1.057 216 L CA -1.493 53.228 54.840 -0.198 0.000 0.811 216 L CB 1.544 43.460 42.059 -0.238 0.000 1.184 216 L HN 0.280 8.447 8.230 -0.105 0.000 0.429 217 V N 8.611 128.430 119.914 -0.157 0.000 2.465 217 V HA 0.348 4.602 4.120 -0.069 -0.176 0.279 217 V C -1.074 174.954 176.094 -0.110 0.000 1.045 217 V CA -0.214 62.028 62.300 -0.098 0.000 0.938 217 V CB 0.543 32.327 31.823 -0.064 0.000 0.986 217 V HN 0.373 8.447 8.190 -0.194 0.000 0.467 218 L N 6.327 127.507 121.223 -0.072 0.000 2.410 218 L HA 0.315 4.622 4.340 -0.055 0.000 0.270 218 L C -1.940 174.917 176.870 -0.022 0.000 0.983 218 L CA -1.424 53.384 54.840 -0.054 0.000 0.822 218 L CB 3.989 46.012 42.059 -0.060 0.000 1.285 218 L HN 0.349 8.545 8.230 -0.057 0.000 0.409 219 D N 2.622 123.017 120.400 -0.009 0.000 2.344 219 D HA 0.090 4.737 4.640 0.013 0.000 0.253 219 D C 1.108 177.416 176.300 0.013 0.000 1.255 219 D CA -0.445 53.560 54.000 0.008 0.000 0.894 219 D CB 0.251 41.058 40.800 0.011 0.000 1.067 219 D HN 0.363 8.727 8.370 -0.010 0.000 0.492 220 A N 8.444 131.282 122.820 0.030 0.000 2.076 220 A HA -0.292 4.040 4.320 0.020 0.000 0.220 220 A C 1.562 179.165 177.584 0.032 0.000 1.160 220 A CA 2.784 54.845 52.037 0.040 0.000 0.653 220 A CB -0.035 19.023 19.000 0.097 0.000 0.801 220 A HN 0.518 8.691 8.150 0.039 0.000 0.455 221 M N -4.187 115.434 119.600 0.034 0.000 2.557 221 M HA -0.229 4.270 4.480 0.031 0.000 0.259 221 M C 1.113 177.418 176.300 0.009 0.000 1.086 221 M CA 2.598 57.915 55.300 0.027 0.000 1.096 221 M CB -0.019 32.599 32.600 0.031 0.000 1.424 221 M HN -0.281 8.307 8.290 0.037 -0.276 0.488 222 T N -5.142 109.416 114.554 0.006 0.000 3.148 222 T HA -0.098 4.252 4.350 0.000 0.000 0.253 222 T C 1.100 175.793 174.700 -0.013 0.000 1.134 222 T CA 0.199 62.299 62.100 -0.001 0.000 1.051 222 T CB 0.599 69.469 68.868 0.004 0.000 0.959 222 T HN -0.466 7.745 8.240 0.008 0.035 0.525 223 G N 1.523 110.310 108.800 -0.023 0.000 2.574 223 G HA2 -0.556 3.534 3.960 -0.044 0.000 0.286 223 G HA3 -0.556 3.369 3.960 -0.059 0.000 0.286 223 G C 0.373 175.248 174.900 -0.042 0.000 1.212 223 G CA 0.718 45.792 45.100 -0.043 0.000 0.979 223 G HN -0.434 7.800 8.290 -0.019 0.044 0.557 224 Q N 2.549 122.322 119.800 -0.045 0.000 2.364 224 Q HA -0.344 3.970 4.340 -0.043 0.000 0.207 224 Q C 2.158 178.145 176.000 -0.021 0.000 0.970 224 Q CA 2.271 58.051 55.803 -0.038 0.000 0.888 224 Q CB -0.092 28.621 28.738 -0.041 0.000 0.951 224 Q HN -0.171 8.354 8.270 -0.048 -0.284 0.469 225 E N 0.297 120.489 120.200 -0.014 0.000 2.153 225 E HA -0.311 4.039 4.350 0.000 0.000 0.194 225 E C 1.133 177.736 176.600 0.006 0.000 0.988 225 E CA 2.321 58.721 56.400 -0.001 0.000 0.811 225 E CB -0.620 29.082 29.700 0.003 0.000 0.746 225 E HN -0.465 7.862 8.360 -0.016 0.024 0.466 226 A N -1.369 121.450 122.820 -0.003 0.000 1.978 226 A HA -0.259 4.066 4.320 0.008 0.000 0.220 226 A C 1.947 179.530 177.584 -0.001 0.000 1.170 226 A CA 3.085 55.120 52.037 -0.003 0.000 0.636 226 A CB -0.583 18.405 19.000 -0.020 0.000 0.810 226 A HN -0.450 7.686 8.150 -0.010 0.007 0.448 227 L N -4.442 116.775 121.223 -0.008 0.000 2.156 227 L HA -0.309 4.025 4.340 -0.011 0.000 0.208 227 L C 2.121 178.999 176.870 0.013 0.000 1.095 227 L CA 2.619 57.455 54.840 -0.006 0.000 0.770 227 L CB -0.523 41.528 42.059 -0.015 0.000 0.914 227 L HN -0.449 7.645 8.230 -0.014 0.127 0.439 228 S N 0.902 116.611 115.700 0.017 0.000 2.406 228 S HA -0.136 4.347 4.470 0.021 0.000 0.228 228 S C 2.071 176.703 174.600 0.052 0.000 1.020 228 S CA 3.454 61.669 58.200 0.025 0.000 0.965 228 S CB -0.750 62.459 63.200 0.015 0.000 0.798 228 S HN -0.747 7.569 8.310 0.011 0.000 0.488 229 V N 2.333 122.292 119.914 0.076 0.000 2.343 229 V HA -0.474 3.746 4.120 0.168 0.000 0.247 229 V C 1.163 177.389 176.094 0.221 0.000 1.051 229 V CA 3.877 66.274 62.300 0.162 0.000 1.036 229 V CB -0.850 31.067 31.823 0.158 0.000 0.654 229 V HN -0.302 7.924 8.190 0.059 0.000 0.451 230 A N -1.155 121.734 122.820 0.115 0.000 1.902 230 A HA -0.335 4.051 4.320 0.110 0.000 0.217 230 A C 1.792 179.436 177.584 0.100 0.000 1.181 230 A CA 3.328 55.419 52.037 0.090 0.000 0.623 230 A CB -0.828 18.178 19.000 0.010 0.000 0.818 230 A HN -0.224 7.967 8.150 0.069 0.000 0.443 231 R N -0.941 119.598 120.500 0.065 0.000 2.081 231 R HA -0.350 4.011 4.340 0.036 0.000 0.235 231 R C 1.849 178.177 176.300 0.047 0.000 1.131 231 R CA 3.181 59.307 56.100 0.043 0.000 0.960 231 R CB -0.131 30.183 30.300 0.023 0.000 0.856 231 R HN -0.332 7.970 8.270 0.053 0.000 0.436 232 A N -0.765 122.083 122.820 0.047 0.000 1.877 232 A HA -0.240 4.058 4.320 -0.037 0.000 0.216 232 A C 1.961 179.522 177.584 -0.040 0.000 1.186 232 A CA 2.903 54.926 52.037 -0.023 0.000 0.620 232 A CB -0.565 18.391 19.000 -0.074 0.000 0.822 232 A HN -0.413 7.775 8.150 0.062 0.000 0.443 233 F N -2.462 117.487 119.950 -0.001 0.000 2.186 233 F HA -0.245 4.289 4.527 0.013 0.000 0.299 233 F C 2.336 178.136 175.800 0.001 0.000 1.090 233 F CA 3.727 61.731 58.000 0.006 0.000 1.307 233 F CB -0.014 38.991 39.000 0.009 0.000 1.019 233 F HN -0.220 8.271 8.300 0.319 0.000 0.489 234 D N -0.910 119.587 120.400 0.163 0.000 2.144 234 D HA -0.263 4.428 4.640 0.085 0.000 0.200 234 D C 2.594 178.920 176.300 0.044 0.000 0.978 234 D CA 3.389 57.437 54.000 0.080 0.000 0.833 234 D CB -0.061 40.764 40.800 0.043 0.000 0.961 234 D HN -0.185 8.281 8.370 0.160 0.000 0.470 235 E N -1.133 119.083 120.200 0.027 0.000 2.106 235 E HA -0.229 4.124 4.350 0.004 0.000 0.192 235 E C 2.039 178.637 176.600 -0.003 0.000 0.984 235 E CA 2.325 58.728 56.400 0.004 0.000 0.806 235 E CB 0.243 29.939 29.700 -0.007 0.000 0.750 235 E HN -0.392 7.986 8.360 0.030 0.000 0.458 236 K N -4.727 115.665 120.400 -0.014 0.000 2.334 236 K HA -0.028 4.277 4.320 -0.024 0.000 0.195 236 K C 0.685 177.288 176.600 0.004 0.000 1.045 236 K CA 1.773 58.043 56.287 -0.029 0.000 1.004 236 K CB 1.313 33.759 32.500 -0.090 0.000 0.837 236 K HN -0.463 7.778 8.250 -0.015 0.000 0.510 237 V N -5.499 114.443 119.914 0.047 0.000 3.103 237 V HA 0.108 4.273 4.120 0.075 0.000 0.229 237 V C -0.084 176.052 176.094 0.071 0.000 1.304 237 V CA -0.010 62.345 62.300 0.092 0.000 1.298 237 V CB 2.961 34.901 31.823 0.194 0.000 1.093 237 V HN -0.432 7.793 8.190 0.058 0.000 0.489 238 G N 0.803 109.648 108.800 0.074 0.000 3.439 238 G HA2 -0.268 3.701 3.960 0.016 0.000 0.686 238 G HA3 -0.268 3.994 3.960 0.030 -0.284 0.686 238 G C -1.202 173.716 174.900 0.030 0.000 1.075 238 G CA -0.205 44.916 45.100 0.035 0.000 0.926 238 G HN -0.519 7.829 8.290 0.097 0.000 0.485 239 V N 4.967 124.891 119.914 0.018 0.000 2.630 239 V HA 0.261 4.380 4.120 -0.002 0.000 0.305 239 V C 0.463 176.525 176.094 -0.053 0.000 1.046 239 V CA -2.151 60.142 62.300 -0.011 0.000 0.934 239 V CB 2.749 34.565 31.823 -0.012 0.000 1.003 239 V HN -0.059 8.448 8.190 0.014 -0.308 0.451 240 T N 1.649 116.157 114.554 -0.078 0.000 2.978 240 T HA 0.265 4.560 4.350 -0.091 0.000 0.248 240 T C 0.224 174.792 174.700 -0.220 0.000 1.018 240 T CA -0.254 61.786 62.100 -0.100 0.000 1.026 240 T CB 2.081 70.913 68.868 -0.060 0.000 1.032 240 T HN 0.717 8.914 8.240 -0.071 0.000 0.485 241 G N 0.122 108.745 108.800 -0.295 0.000 2.623 241 G HA2 0.451 3.694 3.960 -1.195 0.000 0.290 241 G HA3 0.451 4.117 3.960 -0.657 -0.100 0.290 241 G C -3.297 171.371 174.900 -0.387 0.000 1.437 241 G CA 0.280 44.993 45.100 -0.646 0.000 0.798 241 G HN -0.832 7.343 8.290 -0.193 0.000 0.488 242 L N -1.881 119.093 121.223 -0.416 0.000 2.333 242 L HA 0.844 5.262 4.340 -0.176 -0.184 0.269 242 L C -1.313 175.478 176.870 -0.132 0.000 1.010 242 L CA -1.547 53.154 54.840 -0.231 0.000 0.818 242 L CB 3.686 45.596 42.059 -0.248 0.000 1.306 242 L HN 0.237 8.126 8.230 -0.567 0.000 0.430 243 V N 0.657 120.538 119.914 -0.055 0.000 2.444 243 V HA 0.503 4.853 4.120 0.054 -0.197 0.294 243 V C -1.395 174.684 176.094 -0.025 0.000 1.022 243 V CA -1.476 60.836 62.300 0.021 0.000 0.850 243 V CB 1.942 33.812 31.823 0.078 0.000 0.992 243 V HN 0.386 8.535 8.190 -0.069 0.000 0.426 244 L N 8.436 129.646 121.223 -0.021 0.000 2.262 244 L HA 0.710 5.227 4.340 -0.017 -0.186 0.288 244 L C 0.032 176.932 176.870 0.050 0.000 1.035 244 L CA -1.503 53.336 54.840 -0.002 0.000 0.820 244 L CB 0.847 42.901 42.059 -0.007 0.000 1.204 244 L HN 0.113 8.334 8.230 -0.014 0.000 0.424 245 T N 1.248 115.823 114.554 0.036 0.000 2.902 245 T HA 0.346 4.727 4.350 0.052 0.000 0.280 245 T C 0.579 175.312 174.700 0.055 0.000 0.992 245 T CA -1.951 60.175 62.100 0.043 0.000 1.015 245 T CB 2.279 71.160 68.868 0.023 0.000 1.044 245 T HN 0.507 8.759 8.240 0.019 0.000 0.520 246 K N -2.105 118.327 120.400 0.053 0.000 3.069 246 K HA -0.448 3.901 4.320 0.049 0.000 0.267 246 K C -0.801 175.850 176.600 0.084 0.000 1.082 246 K CA 1.231 57.552 56.287 0.056 0.000 0.782 246 K CB -2.203 30.325 32.500 0.046 0.000 1.230 246 K HN 0.654 8.933 8.250 0.047 0.000 0.488 247 L N -2.831 118.451 121.223 0.098 0.000 2.217 247 L HA -0.243 4.218 4.340 0.203 0.000 0.211 247 L C -0.507 176.428 176.870 0.108 0.000 1.107 247 L CA 2.144 57.074 54.840 0.150 0.000 0.783 247 L CB 0.099 42.257 42.059 0.165 0.000 0.919 247 L HN -0.251 8.029 8.230 0.087 0.002 0.442 248 D N -6.162 114.266 120.400 0.046 0.000 2.354 248 D HA -0.091 4.525 4.640 -0.040 0.000 0.209 248 D C 0.977 177.299 176.300 0.037 0.000 1.015 248 D CA 0.601 54.604 54.000 0.005 0.000 0.867 248 D CB -0.220 40.573 40.800 -0.012 0.000 0.933 248 D HN -0.212 8.163 8.370 0.047 0.024 0.520 249 G N -1.627 107.209 108.800 0.059 0.000 2.712 249 G HA2 -0.195 3.797 3.960 0.054 0.000 0.212 249 G HA3 -0.195 3.794 3.960 0.049 0.000 0.212 249 G C -0.647 174.307 174.900 0.091 0.000 1.142 249 G CA -0.022 45.114 45.100 0.061 0.000 0.789 249 G HN -0.747 7.580 8.290 0.062 0.000 0.535 250 D N 0.697 121.183 120.400 0.144 0.000 2.339 250 D HA -0.174 4.550 4.640 0.140 0.000 0.256 250 D C -1.758 174.714 176.300 0.287 0.000 1.214 250 D CA -0.113 54.012 54.000 0.209 0.000 0.877 250 D CB 0.162 41.146 40.800 0.306 0.000 1.111 250 D HN -0.833 7.465 8.370 0.149 0.162 0.478 251 A N 5.527 128.454 122.820 0.179 0.000 2.827 251 A HA 0.288 4.745 4.320 0.229 0.000 0.300 251 A C -0.884 176.758 177.584 0.097 0.000 1.237 251 A CA -0.696 51.438 52.037 0.162 0.000 0.964 251 A CB -0.055 19.000 19.000 0.090 0.000 1.143 251 A HN 0.480 8.703 8.150 0.121 0.000 0.554 252 R N -1.424 119.106 120.500 0.051 0.000 4.019 252 R HA 0.153 4.441 4.340 -0.087 0.000 0.140 252 R C -0.128 175.904 176.300 -0.447 0.000 1.486 252 R CA 0.440 56.468 56.100 -0.120 0.000 1.119 252 R CB 2.318 32.556 30.300 -0.104 0.000 1.357 252 R HN 0.617 9.070 8.270 0.110 -0.118 0.449 253 G N -3.793 104.530 108.800 -0.795 0.000 2.218 253 G HA2 -0.227 2.646 3.960 -1.811 0.000 0.216 253 G HA3 -0.227 2.252 3.960 -2.468 0.000 0.216 253 G C 0.759 175.255 174.900 -0.675 0.000 0.994 253 G CA 0.276 44.437 45.100 -1.565 0.000 0.637 253 G HN -0.483 7.827 8.290 -0.520 -0.331 0.505 254 G N 1.020 109.594 108.800 -0.377 0.000 2.440 254 G HA2 -0.421 3.567 3.960 -0.188 0.000 0.218 254 G HA3 -0.421 3.399 3.960 -0.233 0.000 0.218 254 G C 0.386 175.182 174.900 -0.173 0.000 1.154 254 G CA 2.108 47.068 45.100 -0.233 0.000 0.767 254 G HN -0.302 7.788 8.290 -0.333 0.000 0.552 255 A N 0.454 123.186 122.820 -0.147 0.000 1.877 255 A HA -0.335 3.936 4.320 -0.082 0.000 0.216 255 A C 1.167 178.705 177.584 -0.077 0.000 1.186 255 A CA 2.977 54.959 52.037 -0.091 0.000 0.620 255 A CB -0.774 18.190 19.000 -0.060 0.000 0.822 255 A HN -0.050 8.006 8.150 -0.156 0.000 0.443 256 A N -3.050 119.736 122.820 -0.057 0.000 1.902 256 A HA -0.341 3.967 4.320 -0.020 0.000 0.217 256 A C 1.879 179.488 177.584 0.043 0.000 1.181 256 A CA 2.445 54.505 52.037 0.038 0.000 0.623 256 A CB -0.671 18.509 19.000 0.301 0.000 0.818 256 A HN -0.034 8.065 8.150 -0.083 0.000 0.443 257 L N -5.794 115.415 121.223 -0.024 0.000 2.291 257 L HA -0.194 4.190 4.340 0.074 0.000 0.214 257 L C 1.194 178.058 176.870 -0.010 0.000 1.120 257 L CA 1.831 56.670 54.840 -0.002 0.000 0.799 257 L CB 0.051 42.059 42.059 -0.085 0.000 0.925 257 L HN -0.361 7.803 8.230 -0.109 0.000 0.446 258 S N -2.807 112.864 115.700 -0.047 0.000 2.517 258 S HA 0.032 4.469 4.470 -0.056 0.000 0.214 258 S C 1.153 175.746 174.600 -0.011 0.000 0.991 258 S CA 1.148 59.318 58.200 -0.050 0.000 0.906 258 S CB 0.374 63.523 63.200 -0.084 0.000 0.789 258 S HN -0.602 7.638 8.310 -0.064 0.031 0.513 259 A N 2.851 125.656 122.820 -0.025 0.000 1.877 259 A HA -0.337 3.960 4.320 -0.039 0.000 0.216 259 A C 1.158 178.734 177.584 -0.013 0.000 1.186 259 A CA 3.478 55.490 52.037 -0.042 0.000 0.620 259 A CB -0.972 17.968 19.000 -0.101 0.000 0.822 259 A HN -0.314 7.816 8.150 -0.034 0.000 0.443 260 R N -1.009 119.495 120.500 0.007 0.000 2.080 260 R HA -0.414 3.915 4.340 -0.019 0.000 0.236 260 R C 1.940 178.280 176.300 0.067 0.000 1.137 260 R CA 3.460 59.572 56.100 0.019 0.000 0.943 260 R CB -0.288 30.035 30.300 0.038 0.000 0.846 260 R HN -0.025 8.253 8.270 0.012 0.000 0.431 261 H N -0.993 118.071 119.070 -0.011 0.000 2.321 261 H HA -0.197 4.357 4.556 -0.004 0.000 0.300 261 H C 1.506 176.826 175.328 -0.014 0.000 1.087 261 H CA 3.048 59.093 56.048 -0.005 0.000 1.319 261 H CB -0.108 29.661 29.762 0.010 0.000 1.379 261 H HN -0.168 8.238 8.280 0.209 0.000 0.501 262 V N -0.767 119.265 119.914 0.196 0.000 2.446 262 V HA -0.198 4.029 4.120 0.178 0.000 0.244 262 V C 1.775 177.897 176.094 0.047 0.000 1.039 262 V CA 3.165 65.540 62.300 0.124 0.000 1.045 262 V CB 0.204 32.063 31.823 0.060 0.000 0.681 262 V HN -0.113 8.167 8.190 0.150 0.000 0.459 263 T N -4.408 110.155 114.554 0.015 0.000 2.990 263 T HA 0.089 4.434 4.350 -0.007 0.000 0.249 263 T C 1.319 176.000 174.700 -0.031 0.000 1.039 263 T CA 0.085 62.177 62.100 -0.014 0.000 1.036 263 T CB 1.997 70.843 68.868 -0.036 0.000 0.994 263 T HN 0.054 8.304 8.240 0.015 0.000 0.489 264 G N 2.414 111.195 108.800 -0.032 0.000 2.168 264 G HA2 -0.451 3.482 3.960 -0.045 0.000 0.263 264 G HA3 -0.451 3.580 3.960 -0.043 -0.096 0.263 264 G C -0.654 174.202 174.900 -0.073 0.000 0.977 264 G CA 0.327 45.399 45.100 -0.047 0.000 0.659 264 G HN -0.370 7.810 8.290 -0.018 0.100 0.533 265 K N 0.490 120.830 120.400 -0.100 0.000 2.164 265 K HA 0.588 4.813 4.320 -0.159 0.000 0.258 265 K C -1.925 174.547 176.600 -0.213 0.000 0.951 265 K CA -3.693 52.496 56.287 -0.163 0.000 0.844 265 K CB 0.691 33.083 32.500 -0.181 0.000 1.099 265 K HN -0.509 7.648 8.250 -0.093 0.038 0.435 266 P HA 0.144 4.433 4.420 -0.218 0.000 0.275 266 P C -1.233 175.777 177.300 -0.484 0.000 1.228 266 P CA -0.411 62.492 63.100 -0.328 0.000 0.786 266 P CB 0.791 32.305 31.700 -0.310 0.000 0.927 267 I N 0.308 120.620 120.570 -0.430 0.000 2.301 267 I HA -0.077 3.935 4.170 -0.492 -0.137 0.292 267 I C -0.007 175.911 176.117 -0.332 0.000 1.046 267 I CA 0.196 61.169 61.300 -0.546 0.000 1.282 267 I CB -0.324 37.057 38.000 -1.032 0.000 1.409 267 I HN 0.014 8.011 8.210 -0.355 0.000 0.484 268 Y N 4.305 124.455 120.300 -0.250 0.000 2.269 268 Y HA 0.088 4.593 4.550 -0.372 -0.178 0.294 268 Y C 0.115 175.660 175.900 -0.593 0.000 1.120 268 Y CA -0.091 57.788 58.100 -0.368 0.000 1.159 268 Y CB 1.224 39.517 38.460 -0.278 0.000 1.024 268 Y HN 0.137 8.300 8.280 -0.195 0.000 0.532 269 F N -5.029 114.959 119.950 0.063 0.000 2.599 269 F HA 0.484 5.132 4.527 -0.022 -0.134 0.311 269 F C -2.091 173.729 175.800 0.033 0.000 1.076 269 F CA -1.584 56.417 58.000 0.003 0.000 0.937 269 F CB 5.205 44.175 39.000 -0.050 0.000 1.282 269 F HN -0.852 7.561 8.300 0.188 0.000 0.460 270 A N -0.458 122.525 122.820 0.272 0.000 2.355 270 A HA 0.900 5.510 4.320 0.190 -0.176 0.317 270 A C -1.574 176.095 177.584 0.141 0.000 1.094 270 A CA -2.309 49.859 52.037 0.218 0.000 0.764 270 A CB 3.391 22.558 19.000 0.279 0.000 1.230 270 A HN 0.773 9.075 8.150 0.255 0.000 0.448 271 G N 0.343 109.204 108.800 0.102 0.000 2.356 271 G HA2 0.836 4.826 3.960 0.051 0.000 0.298 271 G HA3 0.836 5.140 3.960 0.055 -0.312 0.298 271 G C -2.294 172.643 174.900 0.062 0.000 1.145 271 G CA -1.040 44.099 45.100 0.064 0.000 0.850 271 G HN 0.477 8.719 8.290 0.100 0.108 0.487 272 V N -2.312 117.631 119.914 0.047 0.000 3.188 272 V HA 0.748 5.047 4.120 0.039 -0.156 0.305 272 V C -0.436 175.675 176.094 0.029 0.000 1.232 272 V CA -3.442 58.880 62.300 0.038 0.000 1.043 272 V CB 3.423 35.265 31.823 0.032 0.000 1.068 272 V HN 0.676 8.784 8.190 0.044 0.108 0.439 273 S N 1.894 117.608 115.700 0.024 0.000 2.503 273 S HA 0.146 4.629 4.470 0.021 0.000 0.215 273 S C 1.695 176.306 174.600 0.017 0.000 1.003 273 S CA 1.573 59.785 58.200 0.020 0.000 0.910 273 S CB 0.440 63.651 63.200 0.018 0.000 0.790 273 S HN 0.251 9.064 8.310 0.022 -0.490 0.514 274 E N 1.233 121.442 120.200 0.014 0.000 2.427 274 E HA -0.215 4.140 4.350 0.009 0.000 0.196 274 E C -0.608 176.001 176.600 0.015 0.000 1.028 274 E CA 1.579 57.985 56.400 0.010 0.000 0.864 274 E CB -0.172 29.529 29.700 0.001 0.000 0.813 274 E HN 0.638 9.047 8.360 0.014 -0.040 0.514 275 K N -0.310 120.104 120.400 0.023 0.000 2.244 275 K HA 0.259 4.596 4.320 0.028 0.000 0.260 275 K C -0.777 175.841 176.600 0.030 0.000 0.951 275 K CA -2.909 53.397 56.287 0.030 0.000 0.826 275 K CB 0.738 33.265 32.500 0.044 0.000 1.108 275 K HN -0.441 7.790 8.250 0.025 0.035 0.433 276 P HA -0.284 4.149 4.420 0.022 0.000 0.216 276 P C -0.337 176.981 177.300 0.030 0.000 1.153 276 P CA 2.450 65.565 63.100 0.026 0.000 0.858 276 P CB 0.383 32.097 31.700 0.023 0.000 0.789 277 E N -7.275 112.949 120.200 0.040 0.000 2.208 277 E HA -0.318 4.056 4.350 0.040 0.000 0.193 277 E C 0.281 176.904 176.600 0.039 0.000 0.988 277 E CA 0.974 57.401 56.400 0.046 0.000 0.828 277 E CB -0.811 28.932 29.700 0.071 0.000 0.763 277 E HN -0.260 8.114 8.360 0.045 0.014 0.478 278 G N 0.390 109.212 108.800 0.038 0.000 2.184 278 G HA2 -0.389 3.791 3.960 0.025 0.000 0.264 278 G HA3 -0.389 4.009 3.960 0.032 -0.419 0.264 278 G C -2.072 172.846 174.900 0.030 0.000 0.975 278 G CA 1.194 46.313 45.100 0.031 0.000 0.642 278 G HN 0.205 8.398 8.290 0.041 0.122 0.536 279 L N -0.608 120.635 121.223 0.032 0.000 2.493 279 L HA 0.755 5.299 4.340 0.033 -0.184 0.265 279 L C -2.699 174.192 176.870 0.036 0.000 0.954 279 L CA -1.259 53.590 54.840 0.014 0.000 0.844 279 L CB 3.709 45.725 42.059 -0.071 0.000 1.302 279 L HN -0.983 7.104 8.230 0.039 0.166 0.405 280 E N 3.287 123.536 120.200 0.082 0.000 2.408 280 E HA 0.540 4.923 4.350 0.055 0.000 0.275 280 E C -2.908 173.727 176.600 0.057 0.000 0.935 280 E CA -3.578 52.868 56.400 0.077 0.000 0.775 280 E CB 1.495 31.253 29.700 0.097 0.000 1.277 280 E HN 0.634 9.060 8.360 0.110 0.000 0.455 281 P HA 0.005 4.108 4.420 -0.774 -0.147 0.267 281 P C -1.447 175.476 177.300 -0.629 0.000 1.200 281 P CA 0.294 63.039 63.100 -0.591 0.000 0.772 281 P CB 0.296 31.570 31.700 -0.710 0.000 0.855 282 F N 3.524 123.090 119.950 -0.640 0.000 2.420 282 F HA 0.045 4.407 4.527 -0.275 0.000 0.352 282 F C -1.773 173.752 175.800 -0.459 0.000 1.108 282 F CA -0.190 57.574 58.000 -0.394 0.000 1.162 282 F CB 2.038 40.919 39.000 -0.198 0.000 1.118 282 F HN -0.155 7.938 8.300 -0.345 0.000 0.510 283 Y N 6.826 126.845 120.300 -0.469 0.000 2.712 283 Y HA 0.266 4.723 4.550 -0.155 0.000 0.328 283 Y C -1.871 173.786 175.900 -0.405 0.000 0.995 283 Y CA -4.069 53.853 58.100 -0.297 0.000 1.283 283 Y CB -0.648 37.702 38.460 -0.183 0.000 1.092 283 Y HN 0.198 8.096 8.280 -0.637 0.000 0.519 284 P HA -0.293 4.010 4.420 -0.196 0.000 0.215 284 P C 1.451 178.728 177.300 -0.038 0.000 1.153 284 P CA 2.392 65.443 63.100 -0.082 0.000 0.853 284 P CB 0.568 32.330 31.700 0.104 0.000 0.788 285 E N -2.080 118.115 120.200 -0.008 0.000 2.072 285 E HA -0.354 3.952 4.350 -0.073 0.000 0.191 285 E C 2.081 178.718 176.600 0.061 0.000 0.985 285 E CA 3.507 59.898 56.400 -0.015 0.000 0.801 285 E CB -0.450 29.238 29.700 -0.020 0.000 0.750 285 E HN 0.528 8.899 8.360 0.017 0.000 0.452 286 R N -1.797 118.718 120.500 0.025 0.000 2.081 286 R HA -0.327 4.033 4.340 0.034 0.000 0.235 286 R C 2.545 178.848 176.300 0.005 0.000 1.131 286 R CA 3.254 59.360 56.100 0.011 0.000 0.960 286 R CB -0.420 29.855 30.300 -0.041 0.000 0.856 286 R HN -0.031 8.249 8.270 0.017 0.000 0.436 287 L N -0.960 120.230 121.223 -0.054 0.000 2.093 287 L HA -0.256 4.030 4.340 -0.090 0.000 0.208 287 L C 0.889 177.788 176.870 0.048 0.000 1.085 287 L CA 2.432 57.230 54.840 -0.070 0.000 0.755 287 L CB -0.495 41.451 42.059 -0.188 0.000 0.904 287 L HN -0.298 7.876 8.230 -0.094 0.000 0.435 288 A N -1.559 121.323 122.820 0.104 0.000 1.883 288 A HA -0.371 4.070 4.320 0.201 0.000 0.217 288 A C 2.273 180.029 177.584 0.287 0.000 1.186 288 A CA 3.478 55.639 52.037 0.206 0.000 0.624 288 A CB -1.016 18.068 19.000 0.140 0.000 0.822 288 A HN 0.028 8.219 8.150 0.069 0.000 0.444 289 G N -2.486 106.499 108.800 0.308 0.000 2.418 289 G HA2 -0.394 3.627 3.960 0.102 0.000 0.217 289 G HA3 -0.394 3.613 3.960 0.078 0.000 0.217 289 G C 1.026 175.953 174.900 0.046 0.000 1.158 289 G CA 1.508 46.692 45.100 0.140 0.000 0.771 289 G HN -0.367 8.113 8.290 0.317 0.000 0.545 290 R N 2.670 123.190 120.500 0.034 0.000 2.073 290 R HA -0.267 4.064 4.340 -0.015 0.000 0.234 290 R C 3.090 179.398 176.300 0.013 0.000 1.134 290 R CA 2.934 59.031 56.100 -0.005 0.000 0.952 290 R CB -0.063 30.208 30.300 -0.049 0.000 0.850 290 R HN -0.445 7.849 8.270 0.040 0.000 0.433 291 I N -0.361 120.242 120.570 0.055 0.000 2.264 291 I HA -0.389 3.832 4.170 0.084 0.000 0.248 291 I C 1.383 177.548 176.117 0.081 0.000 1.111 291 I CA 3.786 65.143 61.300 0.095 0.000 1.382 291 I CB 0.261 38.363 38.000 0.171 0.000 1.060 291 I HN -0.152 8.100 8.210 0.070 0.000 0.418 292 L N -6.492 114.776 121.223 0.076 0.000 2.611 292 L HA -0.031 4.345 4.340 0.059 0.000 0.229 292 L C 0.126 177.001 176.870 0.008 0.000 1.137 292 L CA -0.467 54.404 54.840 0.051 0.000 0.901 292 L CB -0.055 42.037 42.059 0.055 0.000 1.098 292 L HN -0.766 7.404 8.230 0.085 0.111 0.456 293 G N -1.740 107.061 108.800 0.002 0.000 2.143 293 G HA2 -0.379 3.576 3.960 -0.009 0.000 0.248 293 G HA3 -0.379 3.575 3.960 -0.010 0.000 0.248 293 G C -0.150 174.730 174.900 -0.033 0.000 0.991 293 G CA 0.281 45.373 45.100 -0.012 0.000 0.689 293 G HN -0.545 7.582 8.290 0.010 0.169 0.522 294 M N 1.107 120.675 119.600 -0.052 0.000 2.249 294 M HA 0.101 4.537 4.480 -0.074 0.000 0.351 294 M C 0.245 176.510 176.300 -0.059 0.000 1.180 294 M CA 0.077 55.330 55.300 -0.079 0.000 1.127 294 M CB 0.836 33.346 32.600 -0.150 0.000 1.546 294 M HN -0.488 7.739 8.290 -0.049 0.034 0.461 295 G N 1.347 110.115 108.800 -0.054 0.000 2.554 295 G HA2 -0.176 3.759 3.960 -0.041 0.000 0.238 295 G HA3 -0.176 3.761 3.960 -0.037 0.000 0.238 295 G C 0.154 175.027 174.900 -0.044 0.000 1.259 295 G CA -0.475 44.600 45.100 -0.043 0.000 0.843 295 G HN 0.098 8.353 8.290 -0.058 0.000 0.582 296 D N 1.950 122.327 120.400 -0.039 0.000 2.948 296 D HA -0.169 4.447 4.640 -0.040 0.000 0.241 296 D C 0.345 176.618 176.300 -0.045 0.000 1.198 296 D CA -0.430 53.544 54.000 -0.043 0.000 0.926 296 D CB -1.269 39.504 40.800 -0.045 0.000 1.151 296 D HN 0.191 8.539 8.370 -0.037 0.000 0.441 297 V N 0.000 119.888 119.914 -0.043 0.000 2.409 297 V HA 0.000 4.096 4.120 -0.039 0.000 0.244 297 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 297 V CB 0.000 31.802 31.823 -0.036 0.000 1.184 297 V HN 0.000 8.027 8.190 -0.045 0.136 0.556