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 2ei2_1_A DATA FIRST_RESID 4 DATA SEQUENCE NAAVIELGYM GISVKDPDAW KSFATDMLGL QVLDEGEKDR FYLRMDYWHH DATA SEQUENCE RIVVHHNGQD DLEYLGWRVA GKPEFEALGQ KLIDAGYKIR ICDKVEAQER DATA SEQUENCE MVLGLMKTED PGGNPTEIFW GPRIDMSNPF HPGRPLHGKF VTGDQGLGHC DATA SEQUENCE IVRQTDVAEA HKFYSLLGFR GDVEYRIPLP NGMTAELSFM HCNARDHSIA DATA SEQUENCE FGAMPAAKRL NHLMLEYTHM EDLGYTHQQF VKNEIDIALQ LGIHANDKAL DATA SEQUENCE TFYGATPSGW LIEPGWRGAT AIDEAEYYVG DIFGHGVEAT GYGLDVKLS 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 4 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 4 N C 0.000 175.482 175.510 -0.047 0.000 1.280 4 N CA 0.000 53.028 53.050 -0.037 0.000 0.885 4 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 5 A N -0.212 122.577 122.820 -0.051 0.000 2.492 5 A HA 0.649 4.974 4.320 0.009 0.000 0.254 5 A C 0.169 177.709 177.584 -0.073 0.000 1.091 5 A CA 0.627 52.629 52.037 -0.058 0.000 0.768 5 A CB -0.739 18.226 19.000 -0.059 0.000 1.028 5 A HN 1.140 9.290 8.150 -0.000 0.000 0.498 6 A N 2.394 125.167 122.820 -0.078 0.000 2.594 6 A HA 0.609 4.934 4.320 0.009 0.000 0.295 6 A C -0.469 177.048 177.584 -0.113 0.000 1.071 6 A CA -0.543 51.428 52.037 -0.111 0.000 0.685 6 A CB 0.694 19.619 19.000 -0.126 0.000 1.285 6 A HN 1.190 9.340 8.150 -0.000 0.000 0.405 7 V N 1.952 121.773 119.914 -0.156 0.000 2.694 7 V HA 0.066 4.191 4.120 0.009 0.000 0.306 7 V C 1.337 177.313 176.094 -0.196 0.000 1.054 7 V CA 1.417 63.629 62.300 -0.147 0.000 1.161 7 V CB 0.526 32.236 31.823 -0.188 0.000 0.916 7 V HN 0.835 9.025 8.190 -0.000 0.000 0.490 8 I N 0.965 121.490 120.570 -0.075 0.000 4.312 8 I HA 0.477 4.652 4.170 0.009 0.000 0.324 8 I C 0.512 176.639 176.117 0.018 0.000 1.298 8 I CA 0.059 61.330 61.300 -0.049 0.000 1.231 8 I CB 0.426 38.423 38.000 -0.004 0.000 1.152 8 I HN 0.765 8.975 8.210 -0.000 0.000 0.421 9 E N 1.241 121.510 120.200 0.116 0.000 2.401 9 E HA 0.350 4.706 4.350 0.009 0.000 0.280 9 E C -1.469 175.342 176.600 0.351 0.000 1.039 9 E CA -1.009 55.508 56.400 0.195 0.000 0.814 9 E CB 1.672 31.447 29.700 0.126 0.000 1.275 9 E HN 0.044 8.404 8.360 -0.000 0.000 0.448 10 L N 2.739 124.119 121.223 0.263 0.000 2.407 10 L HA 0.406 4.752 4.340 0.009 0.000 0.282 10 L C 0.803 177.605 176.870 -0.112 0.000 1.110 10 L CA 0.905 55.657 54.840 -0.146 0.000 0.863 10 L CB 0.562 42.447 42.059 -0.290 0.000 1.207 10 L HN 0.851 9.081 8.230 -0.000 0.000 0.454 11 G N 4.949 113.756 108.800 0.011 0.000 2.447 11 G HA2 0.005 3.970 3.960 0.009 0.000 0.211 11 G HA3 0.005 3.970 3.960 0.009 0.000 0.211 11 G C -0.177 174.803 174.900 0.133 0.000 1.184 11 G CA 0.936 46.194 45.100 0.263 0.000 0.813 11 G HN 0.664 8.954 8.290 -0.000 0.000 0.540 12 Y N -1.316 119.043 120.300 0.097 0.000 2.655 12 Y HA 0.761 5.316 4.550 0.009 0.000 0.336 12 Y C -0.647 175.243 175.900 -0.016 0.000 1.154 12 Y CA -2.279 55.845 58.100 0.040 0.000 1.055 12 Y CB 1.099 39.635 38.460 0.127 0.000 1.295 12 Y HN 0.237 8.517 8.280 -0.000 0.000 0.465 13 M N 0.866 120.614 119.600 0.247 0.000 2.531 13 M HA 0.912 5.397 4.480 0.009 0.000 0.286 13 M C -1.189 175.081 176.300 -0.051 0.000 1.232 13 M CA -0.860 54.472 55.300 0.054 0.000 0.877 13 M CB 2.628 35.142 32.600 -0.142 0.000 1.726 13 M HN 1.070 9.360 8.290 -0.000 0.000 0.463 14 G N 2.659 111.122 108.800 -0.562 0.000 2.461 14 G HA2 0.767 4.732 3.960 0.009 0.000 0.323 14 G HA3 0.767 4.732 3.960 0.009 0.000 0.323 14 G C -0.984 173.556 174.900 -0.600 0.000 1.229 14 G CA -0.975 43.604 45.100 -0.869 0.000 0.941 14 G HN 1.029 9.319 8.290 -0.000 0.000 0.477 15 I N -0.510 119.851 120.570 -0.348 0.000 3.002 15 I HA 0.881 5.056 4.170 0.009 0.000 0.310 15 I C -0.239 175.777 176.117 -0.169 0.000 1.087 15 I CA -1.105 60.039 61.300 -0.260 0.000 1.017 15 I CB 2.705 40.570 38.000 -0.225 0.000 1.226 15 I HN 0.485 8.695 8.210 -0.000 0.000 0.443 16 S N 3.057 118.690 115.700 -0.112 0.000 2.513 16 S HA 0.870 5.345 4.470 0.009 0.000 0.299 16 S C -0.520 174.049 174.600 -0.051 0.000 1.087 16 S CA -0.525 57.641 58.200 -0.057 0.000 1.012 16 S CB 1.749 64.933 63.200 -0.025 0.000 1.044 16 S HN 1.203 9.513 8.310 -0.000 0.000 0.485 17 V N 0.064 119.949 119.914 -0.049 0.000 2.962 17 V HA 0.625 4.750 4.120 0.009 0.000 0.313 17 V C 0.281 176.416 176.094 0.068 0.000 1.099 17 V CA -1.019 61.273 62.300 -0.012 0.000 0.971 17 V CB 1.789 33.506 31.823 -0.177 0.000 1.028 17 V HN 0.944 9.134 8.190 -0.000 0.000 0.430 18 K N 0.167 120.630 120.400 0.105 0.000 2.314 18 K HA 0.173 4.498 4.320 0.009 0.000 0.198 18 K C -0.081 176.567 176.600 0.080 0.000 1.045 18 K CA 0.813 57.151 56.287 0.084 0.000 0.988 18 K CB 0.267 32.812 32.500 0.075 0.000 0.783 18 K HN 0.819 9.069 8.250 -0.000 0.000 0.484 19 D N 0.268 120.748 120.400 0.132 0.000 2.400 19 D HA 0.152 4.797 4.640 0.009 0.000 0.272 19 D C -2.274 174.137 176.300 0.185 0.000 1.220 19 D CA -2.178 51.890 54.000 0.113 0.000 0.897 19 D CB 1.450 42.304 40.800 0.092 0.000 1.134 19 D HN -0.192 8.178 8.370 -0.000 0.000 0.507 20 P HA -0.064 4.356 4.420 -0.000 0.000 0.216 20 P C 0.963 178.342 177.300 0.131 0.000 1.153 20 P CA 0.718 63.925 63.100 0.178 0.000 0.848 20 P CB 0.616 32.223 31.700 -0.156 0.000 0.787 21 D N -0.358 120.045 120.400 0.005 0.000 2.104 21 D HA -0.153 4.492 4.640 0.009 0.000 0.194 21 D C 2.042 178.360 176.300 0.031 0.000 0.994 21 D CA 1.765 55.752 54.000 -0.021 0.000 0.830 21 D CB -0.842 39.935 40.800 -0.038 0.000 0.959 21 D HN 0.061 8.431 8.370 -0.000 0.000 0.452 22 A N -0.245 122.607 122.820 0.054 0.000 1.933 22 A HA -0.162 4.163 4.320 0.009 0.000 0.218 22 A C 2.180 179.790 177.584 0.044 0.000 1.175 22 A CA 1.147 53.191 52.037 0.011 0.000 0.628 22 A CB -1.141 17.831 19.000 -0.046 0.000 0.814 22 A HN 0.304 8.454 8.150 -0.000 0.000 0.444 23 W N 0.331 121.680 121.300 0.080 0.000 2.388 23 W HA -0.077 4.588 4.660 0.008 0.000 0.294 23 W C 2.348 179.019 176.519 0.253 0.000 1.212 23 W CA 1.712 59.175 57.345 0.197 0.000 1.271 23 W CB 0.055 29.673 29.460 0.262 0.000 1.126 23 W HN 0.256 8.435 8.180 -0.000 0.000 0.535 24 K N -0.434 120.166 120.400 0.333 0.000 2.026 24 K HA -0.144 4.181 4.320 0.009 0.000 0.208 24 K C 2.070 178.739 176.600 0.114 0.000 1.048 24 K CA 1.807 58.171 56.287 0.128 0.000 0.929 24 K CB -0.653 31.751 32.500 -0.161 0.000 0.713 24 K HN -0.039 8.211 8.250 -0.000 0.000 0.439 25 S N 0.870 116.613 115.700 0.072 0.000 2.368 25 S HA -0.137 4.339 4.470 0.009 0.000 0.225 25 S C 1.642 176.267 174.600 0.043 0.000 1.030 25 S CA 1.090 59.311 58.200 0.035 0.000 0.999 25 S CB -0.328 62.875 63.200 0.005 0.000 0.844 25 S HN 0.281 8.591 8.310 -0.000 0.000 0.459 26 F N 2.634 122.514 119.950 -0.116 0.000 2.069 26 F HA -0.135 4.397 4.527 0.009 0.000 0.298 26 F C 2.343 178.100 175.800 -0.073 0.000 1.113 26 F CA 1.245 59.122 58.000 -0.206 0.000 1.214 26 F CB -0.801 37.924 39.000 -0.458 0.000 0.978 26 F HN 0.173 8.473 8.300 -0.000 0.000 0.474 27 A N -0.274 122.611 122.820 0.107 0.000 1.902 27 A HA -0.169 4.156 4.320 0.009 0.000 0.217 27 A C 2.232 179.853 177.584 0.061 0.000 1.181 27 A CA 2.507 54.614 52.037 0.117 0.000 0.623 27 A CB -1.556 17.683 19.000 0.398 0.000 0.818 27 A HN 0.561 8.711 8.150 -0.000 0.000 0.443 28 T N -2.379 112.218 114.554 0.071 0.000 2.770 28 T HA -0.089 4.266 4.350 0.009 0.000 0.258 28 T C 1.394 176.106 174.700 0.020 0.000 1.039 28 T CA 1.386 63.523 62.100 0.060 0.000 1.143 28 T CB -0.417 68.477 68.868 0.043 0.000 0.866 28 T HN 0.320 8.560 8.240 -0.000 0.000 0.428 29 D N 0.941 121.325 120.400 -0.027 0.000 2.137 29 D HA 0.082 4.727 4.640 0.009 0.000 0.202 29 D C 2.166 178.437 176.300 -0.048 0.000 0.970 29 D CA 0.898 54.881 54.000 -0.029 0.000 0.837 29 D CB -0.151 40.621 40.800 -0.048 0.000 0.981 29 D HN 0.297 8.667 8.370 -0.000 0.000 0.475 30 M N -0.298 119.186 119.600 -0.194 0.000 2.334 30 M HA 0.110 4.596 4.480 0.009 0.000 0.266 30 M C 1.992 178.272 176.300 -0.034 0.000 1.082 30 M CA 0.796 55.942 55.300 -0.256 0.000 1.141 30 M CB -0.155 32.002 32.600 -0.738 0.000 1.380 30 M HN 0.011 8.301 8.290 -0.000 0.000 0.440 31 L N -1.687 119.511 121.223 -0.042 0.000 2.642 31 L HA 0.332 4.677 4.340 0.009 0.000 0.233 31 L C 1.375 178.493 176.870 0.414 0.000 1.077 31 L CA 0.517 55.488 54.840 0.218 0.000 0.879 31 L CB 0.100 42.219 42.059 0.100 0.000 1.151 31 L HN 0.476 8.706 8.230 -0.000 0.000 0.495 32 G N 1.177 110.147 108.800 0.284 0.000 2.157 32 G HA2 -0.247 3.718 3.960 0.009 0.000 0.248 32 G HA3 -0.247 3.718 3.960 0.009 0.000 0.248 32 G C 0.268 175.465 174.900 0.495 0.000 0.979 32 G CA -0.094 45.210 45.100 0.340 0.000 0.650 32 G HN 0.156 8.446 8.290 -0.000 0.000 0.529 33 L N 0.075 121.547 121.223 0.414 0.000 2.476 33 L HA 0.395 4.740 4.340 0.009 0.000 0.264 33 L C 1.019 178.094 176.870 0.341 0.000 1.224 33 L CA -0.087 54.984 54.840 0.385 0.000 0.821 33 L CB 0.648 42.834 42.059 0.211 0.000 1.101 33 L HN 0.345 8.575 8.230 -0.000 0.000 0.488 34 Q N 0.900 120.938 119.800 0.397 0.000 2.290 34 Q HA 0.385 4.730 4.340 0.009 0.000 0.259 34 Q C -1.328 174.818 176.000 0.242 0.000 0.941 34 Q CA -0.647 55.309 55.803 0.255 0.000 0.912 34 Q CB 1.876 30.772 28.738 0.263 0.000 1.244 34 Q HN 0.415 8.685 8.270 -0.000 0.000 0.441 35 V N 5.230 125.257 119.914 0.189 0.000 2.498 35 V HA 0.262 4.387 4.120 0.009 0.000 0.279 35 V C -0.449 175.758 176.094 0.188 0.000 1.048 35 V CA -0.539 61.892 62.300 0.218 0.000 0.967 35 V CB 1.222 33.114 31.823 0.114 0.000 0.988 35 V HN 0.657 8.847 8.190 -0.000 0.000 0.473 36 L N 5.225 126.603 121.223 0.258 0.000 2.343 36 L HA 0.632 4.977 4.340 0.009 0.000 0.278 36 L C -0.764 176.289 176.870 0.306 0.000 0.996 36 L CA 0.067 55.036 54.840 0.215 0.000 0.831 36 L CB 1.626 43.766 42.059 0.136 0.000 1.232 36 L HN 0.616 8.846 8.230 -0.000 0.000 0.413 37 D N 3.582 124.107 120.400 0.209 0.000 2.381 37 D HA 0.235 4.880 4.640 0.009 0.000 0.235 37 D C -0.076 176.340 176.300 0.194 0.000 1.068 37 D CA -0.123 54.004 54.000 0.213 0.000 0.832 37 D CB 1.436 42.296 40.800 0.102 0.000 1.101 37 D HN 0.581 8.951 8.370 -0.000 0.000 0.515 38 E N 1.988 122.342 120.200 0.257 0.000 2.437 38 E HA 0.169 4.524 4.350 0.009 0.000 0.189 38 E C 1.145 177.824 176.600 0.132 0.000 1.054 38 E CA 0.045 56.565 56.400 0.199 0.000 0.874 38 E CB 0.452 30.307 29.700 0.258 0.000 1.011 38 E HN 0.841 9.201 8.360 -0.000 0.000 0.474 39 G N 2.023 110.890 108.800 0.111 0.000 2.162 39 G HA2 -0.308 3.657 3.960 0.009 0.000 0.260 39 G HA3 -0.308 3.657 3.960 0.009 0.000 0.260 39 G C 0.018 174.953 174.900 0.059 0.000 0.976 39 G CA 0.181 45.326 45.100 0.074 0.000 0.655 39 G HN 0.336 8.626 8.290 -0.000 0.000 0.533 40 E N 0.227 120.462 120.200 0.058 0.000 2.338 40 E HA 0.339 4.695 4.350 0.009 0.000 0.272 40 E C 1.301 177.885 176.600 -0.026 0.000 1.029 40 E CA -0.179 56.227 56.400 0.011 0.000 0.872 40 E CB 0.601 30.297 29.700 -0.008 0.000 1.015 40 E HN 0.411 8.771 8.360 -0.000 0.000 0.417 41 K N 1.790 122.174 120.400 -0.028 0.000 2.209 41 K HA -0.150 4.176 4.320 0.009 0.000 0.204 41 K C 0.748 177.273 176.600 -0.125 0.000 1.048 41 K CA 1.369 57.645 56.287 -0.018 0.000 0.940 41 K CB 0.038 32.542 32.500 0.006 0.000 0.729 41 K HN 0.492 8.742 8.250 -0.000 0.000 0.451 42 D N -0.144 120.100 120.400 -0.260 0.000 2.469 42 D HA 0.002 4.648 4.640 0.009 0.000 0.215 42 D C 0.108 175.945 176.300 -0.772 0.000 1.154 42 D CA -0.310 53.434 54.000 -0.428 0.000 0.832 42 D CB 0.193 40.908 40.800 -0.142 0.000 1.008 42 D HN 0.193 8.563 8.370 -0.000 0.000 0.506 43 R N -0.725 119.316 120.500 -0.765 0.000 2.709 43 R HA 0.533 4.878 4.340 0.009 0.000 0.270 43 R C -1.629 174.443 176.300 -0.380 0.000 1.038 43 R CA -0.961 54.739 56.100 -0.666 0.000 0.872 43 R CB 0.536 30.384 30.300 -0.753 0.000 1.259 43 R HN -0.036 8.234 8.270 -0.000 0.000 0.473 44 F N -0.832 118.816 119.950 -0.503 0.000 2.706 44 F HA 0.758 5.291 4.527 0.008 0.000 0.328 44 F C -1.607 173.763 175.800 -0.717 0.000 1.123 44 F CA -1.451 56.269 58.000 -0.466 0.000 0.978 44 F CB 1.076 40.029 39.000 -0.079 0.000 1.404 44 F HN 0.401 8.701 8.300 -0.000 0.000 0.497 45 Y N 0.704 121.067 120.300 0.106 0.000 2.524 45 Y HA 0.731 5.286 4.550 0.009 0.000 0.344 45 Y C -0.804 175.183 175.900 0.146 0.000 1.012 45 Y CA -1.135 56.941 58.100 -0.039 0.000 1.068 45 Y CB 2.122 40.550 38.460 -0.052 0.000 1.249 45 Y HN 0.451 8.731 8.280 -0.000 0.000 0.468 46 L N 3.388 124.757 121.223 0.244 0.000 2.341 46 L HA 0.663 5.008 4.340 0.009 0.000 0.278 46 L C -0.487 176.509 176.870 0.211 0.000 1.005 46 L CA -0.828 54.158 54.840 0.244 0.000 0.818 46 L CB 1.840 44.015 42.059 0.194 0.000 1.259 46 L HN 0.589 8.819 8.230 -0.000 0.000 0.418 47 R N 2.981 123.609 120.500 0.212 0.000 2.732 47 R HA 0.627 4.973 4.340 0.009 0.000 0.278 47 R C -0.090 176.238 176.300 0.046 0.000 0.976 47 R CA -0.582 55.623 56.100 0.175 0.000 0.963 47 R CB 2.313 32.777 30.300 0.275 0.000 1.150 47 R HN 0.681 8.951 8.270 -0.000 0.000 0.478 48 M N 0.124 119.576 119.600 -0.246 0.000 2.193 48 M HA 0.116 4.601 4.480 0.009 0.000 0.365 48 M C -0.883 174.845 176.300 -0.954 0.000 0.877 48 M CA 0.059 54.880 55.300 -0.798 0.000 1.077 48 M CB 0.721 32.877 32.600 -0.741 0.000 1.967 48 M HN 0.683 8.973 8.290 -0.000 0.000 0.668 49 D N -2.169 117.988 120.400 -0.405 0.000 3.435 49 D HA 0.053 4.698 4.640 0.009 0.000 0.352 49 D C -0.038 176.310 176.300 0.081 0.000 1.460 49 D CA -0.540 53.355 54.000 -0.175 0.000 0.935 49 D CB 0.053 40.781 40.800 -0.119 0.000 1.468 49 D HN -0.094 8.276 8.370 -0.000 0.000 0.573 50 Y N -1.003 119.439 120.300 0.236 0.000 2.516 50 Y HA 0.210 4.765 4.550 0.007 0.000 0.291 50 Y C 0.429 176.515 175.900 0.310 0.000 1.131 50 Y CA -0.100 58.156 58.100 0.260 0.000 1.281 50 Y CB -0.093 38.502 38.460 0.226 0.000 1.013 50 Y HN 0.146 8.426 8.280 -0.000 0.000 0.554 51 W N 0.755 122.157 121.300 0.170 0.000 2.209 51 W HA -0.058 4.607 4.660 0.008 0.000 0.344 51 W C 2.222 178.784 176.519 0.071 0.000 1.285 51 W CA -0.099 57.300 57.345 0.090 0.000 1.267 51 W CB 0.041 29.516 29.460 0.025 0.000 1.167 51 W HN 0.155 8.335 8.180 -0.000 0.000 0.574 52 H N 1.685 120.816 119.070 0.102 0.000 2.321 52 H HA -0.182 4.380 4.556 0.009 0.000 0.295 52 H C 0.366 175.778 175.328 0.140 0.000 1.102 52 H CA 2.536 58.613 56.048 0.050 0.000 1.266 52 H CB 0.194 29.912 29.762 -0.073 0.000 1.363 52 H HN 0.550 8.830 8.280 -0.000 0.000 0.492 53 H N -3.457 115.743 119.070 0.216 0.000 3.014 53 H HA 0.357 4.919 4.556 0.009 0.000 0.337 53 H C 0.024 175.510 175.328 0.263 0.000 1.320 53 H CA -0.948 55.205 56.048 0.175 0.000 1.128 53 H CB 1.135 31.006 29.762 0.181 0.000 1.862 53 H HN -0.025 8.255 8.280 -0.000 0.000 0.536 54 R N 0.532 121.190 120.500 0.262 0.000 2.316 54 R HA 0.415 4.760 4.340 0.009 0.000 0.201 54 R C 0.140 176.580 176.300 0.234 0.000 0.888 54 R CA 0.166 56.358 56.100 0.152 0.000 1.041 54 R CB 0.858 31.108 30.300 -0.082 0.000 1.115 54 R HN 0.555 8.825 8.270 -0.000 0.000 0.559 55 I N 1.238 121.951 120.570 0.239 0.000 2.533 55 I HA 0.276 4.451 4.170 0.009 0.000 0.290 55 I C -0.626 175.506 176.117 0.025 0.000 1.056 55 I CA -1.031 60.335 61.300 0.110 0.000 1.057 55 I CB 2.862 40.869 38.000 0.013 0.000 1.240 55 I HN -0.382 7.828 8.210 -0.000 0.000 0.423 56 V N 6.591 126.443 119.914 -0.104 0.000 2.394 56 V HA 0.358 4.483 4.120 0.009 0.000 0.282 56 V C -0.052 175.691 176.094 -0.586 0.000 1.031 56 V CA -0.684 61.366 62.300 -0.417 0.000 0.881 56 V CB 1.782 33.407 31.823 -0.331 0.000 0.982 56 V HN 0.415 8.605 8.190 -0.000 0.000 0.451 57 V N 5.125 124.505 119.914 -0.890 0.000 2.293 57 V HA 0.360 4.485 4.120 0.009 0.000 0.275 57 V C -0.018 175.612 176.094 -0.774 0.000 1.021 57 V CA -0.649 61.111 62.300 -0.899 0.000 0.815 57 V CB 0.373 31.357 31.823 -1.399 0.000 1.025 57 V HN 0.805 8.995 8.190 -0.000 0.000 0.448 58 H N 3.657 122.499 119.070 -0.381 0.000 2.610 58 H HA 0.415 4.976 4.556 0.009 0.000 0.336 58 H C 0.057 175.364 175.328 -0.034 0.000 1.087 58 H CA -0.133 55.780 56.048 -0.225 0.000 1.405 58 H CB 1.105 30.770 29.762 -0.162 0.000 1.460 58 H HN 0.676 8.956 8.280 -0.000 0.000 0.538 59 H N 1.317 120.390 119.070 0.007 0.000 2.509 59 H HA 0.023 4.585 4.556 0.009 0.000 0.360 59 H C 0.594 175.945 175.328 0.038 0.000 1.398 59 H CA -0.909 55.159 56.048 0.034 0.000 1.429 59 H CB 0.652 30.447 29.762 0.056 0.000 1.611 59 H HN 0.634 8.914 8.280 -0.000 0.000 0.606 60 N N -0.179 118.633 118.700 0.186 0.000 2.735 60 N HA -0.137 4.608 4.740 0.009 0.000 0.248 60 N C -0.006 175.547 175.510 0.072 0.000 1.083 60 N CA 0.766 53.880 53.050 0.106 0.000 0.703 60 N CB -1.068 37.477 38.487 0.096 0.000 1.005 60 N HN 0.804 9.184 8.380 -0.000 0.000 0.550 61 G N -0.602 108.240 108.800 0.069 0.000 2.828 61 G HA2 0.481 4.446 3.960 0.009 0.000 0.244 61 G HA3 0.481 4.446 3.960 0.009 0.000 0.244 61 G C 0.446 175.373 174.900 0.045 0.000 1.365 61 G CA -0.147 44.980 45.100 0.045 0.000 1.041 61 G HN 0.242 8.532 8.290 -0.000 0.000 0.560 62 Q N -0.667 119.158 119.800 0.042 0.000 2.171 62 Q HA 0.187 4.533 4.340 0.009 0.000 0.218 62 Q C -0.738 175.316 176.000 0.091 0.000 0.822 62 Q CA -0.279 55.556 55.803 0.053 0.000 0.987 62 Q CB 1.060 29.818 28.738 0.033 0.000 1.144 62 Q HN 0.475 8.745 8.270 -0.000 0.000 0.494 63 D N 1.878 122.348 120.400 0.116 0.000 2.699 63 D HA -0.166 4.479 4.640 0.009 0.000 0.239 63 D C -0.818 175.668 176.300 0.310 0.000 1.136 63 D CA 1.356 55.481 54.000 0.209 0.000 0.668 63 D CB -0.535 40.379 40.800 0.189 0.000 1.060 63 D HN 0.340 8.710 8.370 -0.000 0.000 0.429 64 D N -1.037 119.487 120.400 0.206 0.000 2.665 64 D HA 0.374 5.020 4.640 0.009 0.000 0.287 64 D C -0.874 175.380 176.300 -0.077 0.000 1.266 64 D CA -0.745 53.311 54.000 0.092 0.000 0.830 64 D CB 1.046 41.871 40.800 0.042 0.000 1.356 64 D HN -0.006 8.364 8.370 -0.000 0.000 0.437 65 L N 1.617 122.698 121.223 -0.235 0.000 2.525 65 L HA 0.170 4.515 4.340 0.009 0.000 0.278 65 L C 1.067 177.827 176.870 -0.184 0.000 1.218 65 L CA 0.849 55.527 54.840 -0.271 0.000 0.878 65 L CB 0.412 42.300 42.059 -0.285 0.000 1.127 65 L HN 0.348 8.578 8.230 -0.000 0.000 0.492 66 E N 3.713 123.760 120.200 -0.255 0.000 2.256 66 E HA 0.115 4.471 4.350 0.009 0.000 0.198 66 E C -1.034 175.550 176.600 -0.027 0.000 0.908 66 E CA 0.703 56.990 56.400 -0.187 0.000 0.915 66 E CB 0.410 29.928 29.700 -0.303 0.000 0.890 66 E HN 0.700 9.060 8.360 -0.000 0.000 0.484 67 Y N -1.855 118.436 120.300 -0.015 0.000 2.620 67 Y HA 0.527 5.082 4.550 0.008 0.000 0.331 67 Y C -1.153 174.741 175.900 -0.011 0.000 1.173 67 Y CA -1.125 56.988 58.100 0.021 0.000 1.076 67 Y CB 0.584 39.093 38.460 0.083 0.000 1.336 67 Y HN -0.296 7.984 8.280 -0.000 0.000 0.459 68 L N 2.610 123.912 121.223 0.132 0.000 2.307 68 L HA 0.825 5.171 4.340 0.009 0.000 0.284 68 L C 0.311 177.043 176.870 -0.231 0.000 1.023 68 L CA -0.998 53.758 54.840 -0.139 0.000 0.810 68 L CB 2.071 44.006 42.059 -0.207 0.000 1.231 68 L HN 1.043 9.273 8.230 -0.000 0.000 0.423 69 G N 2.280 110.725 108.800 -0.591 0.000 2.384 69 G HA2 0.454 4.419 3.960 0.009 0.000 0.316 69 G HA3 0.454 4.419 3.960 0.009 0.000 0.316 69 G C -1.656 173.002 174.900 -0.403 0.000 1.160 69 G CA -0.276 44.349 45.100 -0.793 0.000 0.936 69 G HN 0.507 8.797 8.290 -0.000 0.000 0.455 70 W N 1.975 123.392 121.300 0.195 0.000 2.429 70 W HA 0.520 5.184 4.660 0.008 0.000 0.314 70 W C 0.720 177.178 176.519 -0.102 0.000 1.062 70 W CA -1.034 56.401 57.345 0.149 0.000 1.211 70 W CB 1.617 31.195 29.460 0.196 0.000 1.305 70 W HN 0.312 8.492 8.180 -0.000 0.000 0.476 71 R N 2.832 123.301 120.500 -0.052 0.000 2.404 71 R HA 0.545 4.890 4.340 0.009 0.000 0.291 71 R C -0.364 175.827 176.300 -0.182 0.000 1.025 71 R CA -0.444 55.292 56.100 -0.606 0.000 0.991 71 R CB 0.909 31.020 30.300 -0.315 0.000 1.053 71 R HN 0.496 8.766 8.270 -0.000 0.000 0.479 72 V N 0.778 120.602 119.914 -0.151 0.000 2.994 72 V HA 0.614 4.740 4.120 0.009 0.000 0.318 72 V C 0.839 176.949 176.094 0.028 0.000 1.085 72 V CA -0.148 62.150 62.300 -0.003 0.000 0.998 72 V CB 1.447 33.314 31.823 0.074 0.000 1.063 72 V HN 0.928 9.118 8.190 -0.000 0.000 0.447 73 A N 1.503 124.334 122.820 0.017 0.000 1.930 73 A HA 0.546 4.871 4.320 0.009 0.000 0.217 73 A C 1.317 178.915 177.584 0.023 0.000 1.175 73 A CA 1.614 53.665 52.037 0.023 0.000 0.627 73 A CB -0.797 18.201 19.000 -0.004 0.000 0.815 73 A HN 2.029 10.179 8.150 -0.000 0.000 0.443 74 G N -2.418 106.338 108.800 -0.073 0.000 2.554 74 G HA2 0.379 4.344 3.960 0.009 0.000 0.306 74 G HA3 0.379 4.344 3.960 0.009 0.000 0.306 74 G C 0.265 174.739 174.900 -0.709 0.000 1.320 74 G CA 0.204 45.094 45.100 -0.350 0.000 0.800 74 G HN 0.055 8.345 8.290 -0.000 0.000 0.481 75 K N -0.084 119.522 120.400 -1.322 0.000 2.097 75 K HA -0.023 4.302 4.320 0.009 0.000 0.206 75 K C -0.508 175.873 176.600 -0.366 0.000 1.049 75 K CA 1.955 57.570 56.287 -1.119 0.000 0.933 75 K CB -0.588 31.301 32.500 -1.018 0.000 0.717 75 K HN 0.201 8.451 8.250 -0.000 0.000 0.442 76 P HA -0.123 4.297 4.420 -0.000 0.000 0.216 76 P C 0.440 177.692 177.300 -0.079 0.000 1.153 76 P CA 1.372 64.391 63.100 -0.136 0.000 0.848 76 P CB 0.090 31.714 31.700 -0.127 0.000 0.787 77 E N -1.442 118.708 120.200 -0.084 0.000 2.106 77 E HA -0.150 4.206 4.350 0.009 0.000 0.192 77 E C 1.717 178.329 176.600 0.020 0.000 0.984 77 E CA 0.798 57.176 56.400 -0.037 0.000 0.806 77 E CB -1.130 28.548 29.700 -0.036 0.000 0.750 77 E HN 0.200 8.560 8.360 -0.000 0.000 0.458 78 F N 1.827 121.715 119.950 -0.104 0.000 2.095 78 F HA -0.225 4.307 4.527 0.008 0.000 0.298 78 F C 1.887 177.686 175.800 -0.002 0.000 1.104 78 F CA 1.782 59.778 58.000 -0.006 0.000 1.232 78 F CB 0.007 39.041 39.000 0.057 0.000 0.987 78 F HN -0.022 8.278 8.300 -0.000 0.000 0.475 79 E N 0.025 120.287 120.200 0.104 0.000 2.072 79 E HA -0.155 4.200 4.350 0.009 0.000 0.191 79 E C 2.363 178.927 176.600 -0.060 0.000 0.985 79 E CA 0.901 57.310 56.400 0.015 0.000 0.801 79 E CB -0.425 29.318 29.700 0.072 0.000 0.750 79 E HN 0.500 8.860 8.360 -0.000 0.000 0.452 80 A N 1.263 124.053 122.820 -0.051 0.000 1.902 80 A HA -0.169 4.157 4.320 0.009 0.000 0.217 80 A C 2.150 179.683 177.584 -0.085 0.000 1.181 80 A CA 1.015 53.017 52.037 -0.058 0.000 0.623 80 A CB -0.485 18.485 19.000 -0.050 0.000 0.818 80 A HN 0.205 8.355 8.150 -0.000 0.000 0.443 81 L N 0.169 121.324 121.223 -0.112 0.000 2.056 81 L HA 0.014 4.359 4.340 0.009 0.000 0.207 81 L C 2.412 179.182 176.870 -0.166 0.000 1.078 81 L CA 2.143 56.899 54.840 -0.140 0.000 0.749 81 L CB -1.246 40.725 42.059 -0.147 0.000 0.901 81 L HN 0.317 8.547 8.230 -0.000 0.000 0.433 82 G N -1.317 107.347 108.800 -0.227 0.000 2.446 82 G HA2 -0.375 3.590 3.960 0.009 0.000 0.217 82 G HA3 -0.375 3.590 3.960 0.009 0.000 0.217 82 G C 1.518 176.357 174.900 -0.103 0.000 1.168 82 G CA 0.926 45.901 45.100 -0.209 0.000 0.771 82 G HN 0.451 8.741 8.290 -0.000 0.000 0.551 83 Q N 0.367 120.118 119.800 -0.081 0.000 2.167 83 Q HA 0.046 4.391 4.340 0.009 0.000 0.202 83 Q C 2.374 178.356 176.000 -0.030 0.000 0.970 83 Q CA 1.580 57.358 55.803 -0.042 0.000 0.855 83 Q CB -0.276 28.442 28.738 -0.034 0.000 0.911 83 Q HN 0.546 8.816 8.270 -0.000 0.000 0.438 84 K N -0.488 119.885 120.400 -0.045 0.000 2.057 84 K HA -0.124 4.201 4.320 0.009 0.000 0.207 84 K C 1.914 178.517 176.600 0.006 0.000 1.049 84 K CA 1.230 57.499 56.287 -0.031 0.000 0.931 84 K CB -0.145 32.319 32.500 -0.060 0.000 0.714 84 K HN 0.265 8.515 8.250 -0.000 0.000 0.440 85 L N 0.726 121.946 121.223 -0.006 0.000 2.046 85 L HA -0.181 4.165 4.340 0.009 0.000 0.208 85 L C 2.363 179.326 176.870 0.155 0.000 1.077 85 L CA 1.097 55.992 54.840 0.091 0.000 0.747 85 L CB -0.287 41.773 42.059 0.001 0.000 0.896 85 L HN 0.210 8.440 8.230 -0.000 0.000 0.432 86 I N -0.222 120.385 120.570 0.062 0.000 2.226 86 I HA -0.304 3.871 4.170 0.009 0.000 0.245 86 I C 1.986 178.117 176.117 0.025 0.000 1.100 86 I CA 1.241 62.567 61.300 0.043 0.000 1.374 86 I CB -0.373 37.636 38.000 0.014 0.000 1.057 86 I HN 0.271 8.481 8.210 -0.000 0.000 0.413 87 D N 0.963 121.373 120.400 0.017 0.000 2.178 87 D HA -0.100 4.545 4.640 0.009 0.000 0.202 87 D C 2.000 178.296 176.300 -0.007 0.000 0.974 87 D CA 1.321 55.322 54.000 0.001 0.000 0.841 87 D CB -0.076 40.723 40.800 -0.002 0.000 0.953 87 D HN 0.350 8.720 8.370 -0.000 0.000 0.478 88 A N -0.624 122.208 122.820 0.020 0.000 2.251 88 A HA 0.455 4.780 4.320 0.009 0.000 0.209 88 A C 1.709 179.176 177.584 -0.195 0.000 1.187 88 A CA 0.984 53.008 52.037 -0.022 0.000 0.823 88 A CB -0.000 19.068 19.000 0.113 0.000 0.846 88 A HN 0.240 8.390 8.150 -0.000 0.000 0.486 89 G N -2.420 106.292 108.800 -0.146 0.000 2.163 89 G HA2 -0.237 3.728 3.960 0.009 0.000 0.213 89 G HA3 -0.237 3.728 3.960 0.009 0.000 0.213 89 G C -0.069 174.682 174.900 -0.248 0.000 0.991 89 G CA 0.046 45.017 45.100 -0.215 0.000 0.653 89 G HN 0.374 8.664 8.290 -0.000 0.000 0.518 90 Y N 0.460 120.765 120.300 0.009 0.000 2.301 90 Y HA 0.620 5.175 4.550 0.009 0.000 0.328 90 Y C 0.755 176.662 175.900 0.012 0.000 1.242 90 Y CA -0.392 57.723 58.100 0.024 0.000 1.323 90 Y CB 0.792 39.303 38.460 0.084 0.000 1.266 90 Y HN -0.070 8.210 8.280 -0.000 0.000 0.527 91 K N 3.685 124.189 120.400 0.174 0.000 2.253 91 K HA 0.454 4.779 4.320 0.009 0.000 0.277 91 K C -0.718 175.939 176.600 0.094 0.000 1.053 91 K CA -0.224 56.119 56.287 0.092 0.000 0.892 91 K CB 0.318 32.849 32.500 0.052 0.000 1.102 91 K HN 0.609 8.859 8.250 -0.000 0.000 0.469 92 I N -1.769 118.844 120.570 0.072 0.000 3.002 92 I HA 0.650 4.826 4.170 0.009 0.000 0.310 92 I C -0.870 175.276 176.117 0.048 0.000 1.087 92 I CA -1.235 60.101 61.300 0.060 0.000 1.017 92 I CB 2.466 40.491 38.000 0.041 0.000 1.226 92 I HN 0.426 8.636 8.210 -0.000 0.000 0.443 93 R N 4.347 124.880 120.500 0.056 0.000 2.502 93 R HA 0.547 4.892 4.340 0.009 0.000 0.300 93 R C -1.473 174.879 176.300 0.086 0.000 0.984 93 R CA -0.721 55.415 56.100 0.060 0.000 0.882 93 R CB 1.496 31.828 30.300 0.053 0.000 1.180 93 R HN 0.651 8.921 8.270 -0.000 0.000 0.444 94 I N 4.372 125.000 120.570 0.097 0.000 2.416 94 I HA 0.147 4.322 4.170 0.009 0.000 0.288 94 I C 0.478 176.679 176.117 0.140 0.000 1.051 94 I CA -0.532 60.865 61.300 0.163 0.000 1.375 94 I CB 0.447 38.557 38.000 0.183 0.000 1.407 94 I HN 0.631 8.841 8.210 -0.000 0.000 0.516 95 C N 5.809 125.202 119.300 0.156 0.000 2.534 95 C HA 0.245 4.710 4.460 0.009 0.000 0.385 95 C C 0.819 175.852 174.990 0.071 0.000 1.264 95 C CA -0.589 58.485 59.018 0.093 0.000 2.342 95 C CB 0.566 28.352 27.740 0.077 0.000 2.564 95 C HN 0.835 9.065 8.230 -0.000 0.000 0.603 96 D N 1.171 121.595 120.400 0.039 0.000 2.433 96 D HA 0.143 4.788 4.640 0.009 0.000 0.255 96 D C 0.754 177.052 176.300 -0.003 0.000 1.226 96 D CA -0.502 53.511 54.000 0.023 0.000 1.015 96 D CB 0.481 41.291 40.800 0.016 0.000 1.091 96 D HN 0.482 8.852 8.370 -0.000 0.000 0.527 97 K N -0.706 119.686 120.400 -0.014 0.000 2.063 97 K HA -0.101 4.225 4.320 0.009 0.000 0.208 97 K C 1.962 178.533 176.600 -0.048 0.000 1.048 97 K CA 1.194 57.458 56.287 -0.038 0.000 0.928 97 K CB -0.329 32.150 32.500 -0.035 0.000 0.713 97 K HN 0.247 8.497 8.250 -0.000 0.000 0.442 98 V N 1.471 121.365 119.914 -0.035 0.000 2.332 98 V HA -0.267 3.858 4.120 0.009 0.000 0.248 98 V C 2.051 178.117 176.094 -0.046 0.000 1.055 98 V CA 1.827 64.104 62.300 -0.038 0.000 1.038 98 V CB -0.385 31.422 31.823 -0.025 0.000 0.651 98 V HN 0.350 8.540 8.190 -0.000 0.000 0.450 99 E N -0.236 119.942 120.200 -0.037 0.000 2.106 99 E HA -0.152 4.203 4.350 0.009 0.000 0.192 99 E C 2.329 178.890 176.600 -0.066 0.000 0.984 99 E CA 1.149 57.523 56.400 -0.043 0.000 0.806 99 E CB -0.253 29.434 29.700 -0.022 0.000 0.750 99 E HN 0.601 8.961 8.360 -0.000 0.000 0.458 100 A N 0.956 123.735 122.820 -0.068 0.000 1.898 100 A HA -0.237 4.088 4.320 0.009 0.000 0.216 100 A C 2.000 179.498 177.584 -0.144 0.000 1.181 100 A CA 1.285 53.257 52.037 -0.108 0.000 0.620 100 A CB -0.402 18.521 19.000 -0.129 0.000 0.819 100 A HN 0.189 8.339 8.150 -0.000 0.000 0.442 101 Q N -0.857 118.869 119.800 -0.124 0.000 2.170 101 Q HA -0.212 4.133 4.340 0.009 0.000 0.203 101 Q C 2.072 177.996 176.000 -0.127 0.000 0.976 101 Q CA 1.442 57.165 55.803 -0.132 0.000 0.858 101 Q CB -0.160 28.516 28.738 -0.104 0.000 0.907 101 Q HN 0.858 9.128 8.270 -0.000 0.000 0.433 102 E N 0.619 120.758 120.200 -0.101 0.000 2.097 102 E HA -0.219 4.136 4.350 0.009 0.000 0.196 102 E C 1.622 178.157 176.600 -0.109 0.000 1.000 102 E CA 0.910 57.261 56.400 -0.082 0.000 0.804 102 E CB 0.229 29.890 29.700 -0.065 0.000 0.740 102 E HN 0.120 8.480 8.360 -0.000 0.000 0.454 103 R N -0.434 119.963 120.500 -0.171 0.000 2.299 103 R HA 0.101 4.446 4.340 0.009 0.000 0.197 103 R C 0.645 176.767 176.300 -0.296 0.000 0.971 103 R CA 0.372 56.308 56.100 -0.273 0.000 1.030 103 R CB -0.299 29.790 30.300 -0.351 0.000 0.932 103 R HN 0.358 8.628 8.270 -0.000 0.000 0.477 104 M N 0.488 119.939 119.600 -0.248 0.000 2.297 104 M HA -0.183 4.303 4.480 0.009 0.000 0.200 104 M C -0.430 175.672 176.300 -0.329 0.000 0.414 104 M CA 0.470 55.597 55.300 -0.288 0.000 0.449 104 M CB -1.613 30.789 32.600 -0.328 0.000 1.436 104 M HN -0.017 8.273 8.290 -0.000 0.000 0.912 105 V N -3.183 116.545 119.914 -0.309 0.000 3.074 105 V HA 0.575 4.700 4.120 0.009 0.000 0.314 105 V C 0.751 176.603 176.094 -0.404 0.000 1.117 105 V CA -1.131 60.976 62.300 -0.322 0.000 1.014 105 V CB 2.141 33.825 31.823 -0.232 0.000 1.057 105 V HN 0.397 8.587 8.190 -0.000 0.000 0.438 106 L N 1.319 122.157 121.223 -0.643 0.000 2.270 106 L HA 0.482 4.827 4.340 0.009 0.000 0.210 106 L C 1.196 177.497 176.870 -0.949 0.000 1.104 106 L CA 1.389 55.695 54.840 -0.890 0.000 0.804 106 L CB -0.126 41.092 42.059 -1.403 0.000 0.937 106 L HN 0.971 9.201 8.230 -0.000 0.000 0.450 107 G N -0.048 108.090 108.800 -1.103 0.000 2.719 107 G HA2 0.563 4.528 3.960 0.009 0.000 0.298 107 G HA3 0.563 4.528 3.960 0.009 0.000 0.298 107 G C -2.166 172.489 174.900 -0.408 0.000 1.411 107 G CA -0.235 44.383 45.100 -0.803 0.000 0.991 107 G HN -0.154 8.136 8.290 -0.000 0.000 0.509 108 L N 2.050 123.244 121.223 -0.049 0.000 2.482 108 L HA 0.883 5.229 4.340 0.009 0.000 0.263 108 L C -0.405 176.773 176.870 0.513 0.000 0.957 108 L CA -0.847 54.174 54.840 0.302 0.000 0.836 108 L CB 2.116 44.258 42.059 0.138 0.000 1.324 108 L HN 0.842 9.072 8.230 -0.000 0.000 0.406 109 M N 2.324 122.241 119.600 0.528 0.000 2.572 109 M HA 0.682 5.167 4.480 0.009 0.000 0.299 109 M C -1.572 174.855 176.300 0.212 0.000 1.205 109 M CA -0.705 54.773 55.300 0.297 0.000 0.876 109 M CB 2.478 35.155 32.600 0.129 0.000 1.728 109 M HN 0.446 8.736 8.290 -0.000 0.000 0.458 110 K N 1.012 121.497 120.400 0.142 0.000 2.324 110 K HA 0.787 5.113 4.320 0.009 0.000 0.253 110 K C -0.967 175.692 176.600 0.099 0.000 0.932 110 K CA -0.609 55.748 56.287 0.118 0.000 0.799 110 K CB 2.570 35.116 32.500 0.077 0.000 1.154 110 K HN 0.858 9.108 8.250 -0.000 0.000 0.425 111 T N 0.276 114.895 114.554 0.107 0.000 2.645 111 T HA 0.269 4.625 4.350 0.009 0.000 0.300 111 T C -1.927 172.801 174.700 0.047 0.000 1.210 111 T CA -0.691 61.458 62.100 0.082 0.000 1.034 111 T CB 1.535 70.472 68.868 0.115 0.000 1.537 111 T HN 0.704 8.944 8.240 -0.000 0.000 0.492 112 E N 1.327 121.506 120.200 -0.034 0.000 2.292 112 E HA 0.483 4.838 4.350 0.009 0.000 0.272 112 E C -1.239 175.137 176.600 -0.375 0.000 0.881 112 E CA -0.801 55.531 56.400 -0.114 0.000 0.754 112 E CB 1.529 31.183 29.700 -0.077 0.000 1.201 112 E HN 0.714 9.074 8.360 -0.000 0.000 0.425 113 D N 3.278 123.383 120.400 -0.491 0.000 2.384 113 D HA 0.115 4.760 4.640 0.009 0.000 0.244 113 D C -1.705 174.211 176.300 -0.639 0.000 1.251 113 D CA -1.794 51.594 54.000 -1.021 0.000 0.961 113 D CB 0.372 40.711 40.800 -0.768 0.000 1.116 113 D HN 0.226 8.596 8.370 -0.000 0.000 0.484 114 P HA 0.070 4.490 4.420 -0.000 0.000 0.225 114 P C 1.161 178.331 177.300 -0.216 0.000 1.148 114 P CA 1.451 64.361 63.100 -0.317 0.000 0.779 114 P CB 0.050 31.607 31.700 -0.238 0.000 0.780 115 G N -1.605 107.062 108.800 -0.222 0.000 3.042 115 G HA2 0.299 4.264 3.960 0.009 0.000 0.212 115 G HA3 0.299 4.264 3.960 0.009 0.000 0.212 115 G C 1.076 175.910 174.900 -0.110 0.000 1.166 115 G CA 0.356 45.368 45.100 -0.146 0.000 0.767 115 G HN 0.367 8.657 8.290 -0.000 0.000 0.546 116 G N -0.036 108.687 108.800 -0.128 0.000 2.157 116 G HA2 -0.258 3.707 3.960 0.009 0.000 0.239 116 G HA3 -0.258 3.707 3.960 0.009 0.000 0.239 116 G C 0.101 174.963 174.900 -0.063 0.000 0.982 116 G CA -0.226 44.822 45.100 -0.088 0.000 0.650 116 G HN 0.416 8.706 8.290 -0.000 0.000 0.527 117 N N 2.025 120.686 118.700 -0.065 0.000 2.411 117 N HA 0.377 5.122 4.740 0.009 0.000 0.259 117 N C -2.802 172.718 175.510 0.017 0.000 1.103 117 N CA -0.960 52.082 53.050 -0.012 0.000 0.954 117 N CB 1.194 39.695 38.487 0.023 0.000 1.085 117 N HN 0.111 8.491 8.380 -0.000 0.000 0.485 118 P HA 0.056 4.476 4.420 -0.000 0.000 0.263 118 P C -0.560 176.839 177.300 0.166 0.000 1.195 118 P CA 0.487 63.644 63.100 0.094 0.000 0.762 118 P CB 0.502 32.274 31.700 0.121 0.000 0.799 119 T N 3.616 118.278 114.554 0.180 0.000 2.848 119 T HA 0.360 4.715 4.350 0.009 0.000 0.285 119 T C -0.548 174.324 174.700 0.287 0.000 0.995 119 T CA -0.679 61.600 62.100 0.297 0.000 0.970 119 T CB 1.229 70.301 68.868 0.341 0.000 0.976 119 T HN 0.297 8.537 8.240 -0.000 0.000 0.441 120 E N 2.390 122.785 120.200 0.324 0.000 2.238 120 E HA 0.592 4.947 4.350 0.009 0.000 0.267 120 E C -0.867 175.982 176.600 0.415 0.000 0.887 120 E CA -0.783 55.801 56.400 0.306 0.000 0.769 120 E CB 2.478 32.330 29.700 0.254 0.000 1.187 120 E HN 0.461 8.821 8.360 -0.000 0.000 0.416 121 I N 3.336 124.156 120.570 0.416 0.000 2.465 121 I HA 0.460 4.635 4.170 0.009 0.000 0.291 121 I C -0.761 175.734 176.117 0.631 0.000 1.014 121 I CA -0.859 60.710 61.300 0.447 0.000 1.093 121 I CB 0.787 38.942 38.000 0.259 0.000 1.267 121 I HN 0.457 8.667 8.210 -0.000 0.000 0.431 122 F N 5.389 125.598 119.950 0.433 0.000 2.643 122 F HA 0.813 5.346 4.527 0.009 0.000 0.314 122 F C -1.845 174.181 175.800 0.376 0.000 1.096 122 F CA -1.008 57.214 58.000 0.370 0.000 0.953 122 F CB 1.489 40.641 39.000 0.253 0.000 1.345 122 F HN 0.519 8.819 8.300 -0.000 0.000 0.468 123 W N 0.536 121.896 121.300 0.099 0.000 2.950 123 W HA 0.632 5.297 4.660 0.008 0.000 0.340 123 W C -0.129 176.466 176.519 0.126 0.000 1.139 123 W CA -1.715 55.614 57.345 -0.025 0.000 1.188 123 W CB 1.330 30.740 29.460 -0.084 0.000 1.426 123 W HN 1.510 9.690 8.180 -0.000 0.000 0.531 124 G N 3.078 111.987 108.800 0.181 0.000 2.546 124 G HA2 -0.192 3.773 3.960 0.009 0.000 0.285 124 G HA3 -0.192 3.773 3.960 0.009 0.000 0.285 124 G C -2.258 172.559 174.900 -0.138 0.000 1.105 124 G CA -0.679 44.371 45.100 -0.083 0.000 1.189 124 G HN 0.479 8.769 8.290 -0.000 0.000 0.534 125 P HA 0.256 4.676 4.420 -0.000 0.000 0.274 125 P C 0.156 177.185 177.300 -0.452 0.000 1.237 125 P CA -0.460 62.415 63.100 -0.375 0.000 0.793 125 P CB 0.872 32.024 31.700 -0.913 0.000 0.977 126 R N 2.520 122.759 120.500 -0.436 0.000 2.298 126 R HA 0.332 4.677 4.340 0.009 0.000 0.310 126 R C -0.521 175.592 176.300 -0.312 0.000 1.068 126 R CA -0.385 55.522 56.100 -0.322 0.000 0.957 126 R CB 0.051 30.186 30.300 -0.275 0.000 1.003 126 R HN 0.366 8.636 8.270 -0.000 0.000 0.454 127 I N 4.276 124.709 120.570 -0.228 0.000 2.389 127 I HA 0.199 4.374 4.170 0.009 0.000 0.288 127 I C -0.702 175.414 176.117 -0.001 0.000 0.999 127 I CA -0.810 60.413 61.300 -0.128 0.000 1.129 127 I CB 1.711 39.623 38.000 -0.146 0.000 1.288 127 I HN 0.578 8.788 8.210 -0.000 0.000 0.444 128 D N 7.200 127.668 120.400 0.113 0.000 2.557 128 D HA 0.226 4.871 4.640 0.009 0.000 0.236 128 D C 1.306 177.715 176.300 0.181 0.000 1.154 128 D CA -0.354 53.723 54.000 0.130 0.000 0.985 128 D CB 1.112 42.007 40.800 0.159 0.000 1.010 128 D HN 0.250 8.620 8.370 -0.000 0.000 0.516 129 M N 0.172 119.800 119.600 0.046 0.000 2.358 129 M HA -0.120 4.365 4.480 0.009 0.000 0.264 129 M C 1.954 178.290 176.300 0.062 0.000 1.064 129 M CA 0.847 56.095 55.300 -0.087 0.000 1.093 129 M CB -0.859 31.613 32.600 -0.213 0.000 1.401 129 M HN 0.176 8.466 8.290 -0.000 0.000 0.440 130 S N -0.411 115.337 115.700 0.079 0.000 2.515 130 S HA -0.047 4.428 4.470 0.009 0.000 0.231 130 S C 0.907 175.583 174.600 0.127 0.000 0.987 130 S CA 0.550 58.801 58.200 0.085 0.000 0.936 130 S CB -0.349 62.883 63.200 0.053 0.000 0.766 130 S HN 0.421 8.731 8.310 -0.000 0.000 0.528 131 N N 2.621 121.434 118.700 0.189 0.000 2.841 131 N HA 0.422 5.167 4.740 0.009 0.000 0.257 131 N C -3.113 172.531 175.510 0.223 0.000 1.396 131 N CA -2.121 51.028 53.050 0.166 0.000 0.823 131 N CB 1.054 39.616 38.487 0.125 0.000 1.162 131 N HN 0.134 8.514 8.380 -0.000 0.000 0.503 132 P HA 0.037 4.457 4.420 -0.000 0.000 0.269 132 P C -0.000 177.336 177.300 0.060 0.000 1.215 132 P CA -0.296 62.855 63.100 0.086 0.000 0.780 132 P CB 0.434 32.190 31.700 0.093 0.000 0.898 133 F N 2.763 122.614 119.950 -0.165 0.000 2.629 133 F HA 0.052 4.584 4.527 0.008 0.000 0.377 133 F C 0.205 176.061 175.800 0.092 0.000 1.101 133 F CA 0.588 58.575 58.000 -0.022 0.000 1.301 133 F CB -0.093 38.879 39.000 -0.047 0.000 1.062 133 F HN 0.359 8.659 8.300 -0.000 0.000 0.583 134 H N 7.372 126.030 119.070 -0.687 0.000 2.991 134 H HA 0.439 5.000 4.556 0.008 0.000 0.304 134 H C -2.711 172.141 175.328 -0.793 0.000 1.040 134 H CA -2.557 53.123 56.048 -0.613 0.000 1.410 134 H CB 0.967 30.575 29.762 -0.257 0.000 1.529 134 H HN 0.357 8.637 8.280 -0.000 0.000 0.509 135 P HA 0.108 4.528 4.420 -0.000 0.000 0.272 135 P C 0.946 178.015 177.300 -0.385 0.000 1.230 135 P CA 0.032 62.727 63.100 -0.675 0.000 0.788 135 P CB 1.040 32.548 31.700 -0.320 0.000 0.949 136 G N 1.274 110.009 108.800 -0.108 0.000 2.848 136 G HA2 -0.020 3.945 3.960 0.009 0.000 0.208 136 G HA3 -0.020 3.945 3.960 0.009 0.000 0.208 136 G C 0.652 175.506 174.900 -0.076 0.000 1.152 136 G CA 0.020 45.080 45.100 -0.066 0.000 0.789 136 G HN 0.697 8.987 8.290 -0.000 0.000 0.531 137 R N -1.299 119.146 120.500 -0.092 0.000 2.764 137 R HA 0.566 4.911 4.340 0.009 0.000 0.270 137 R C -3.412 172.781 176.300 -0.177 0.000 1.014 137 R CA -1.846 54.192 56.100 -0.103 0.000 0.904 137 R CB 0.524 30.809 30.300 -0.025 0.000 1.236 137 R HN -0.242 8.028 8.270 -0.000 0.000 0.466 138 P HA 0.126 4.546 4.420 -0.000 0.000 0.268 138 P C -0.991 176.120 177.300 -0.316 0.000 1.204 138 P CA -0.000 62.936 63.100 -0.273 0.000 0.768 138 P CB 0.502 32.028 31.700 -0.291 0.000 0.842 139 L N 3.012 124.056 121.223 -0.297 0.000 2.362 139 L HA 0.340 4.685 4.340 0.009 0.000 0.271 139 L C 1.679 178.334 176.870 -0.359 0.000 1.002 139 L CA -0.867 53.801 54.840 -0.288 0.000 0.818 139 L CB 1.698 43.668 42.059 -0.147 0.000 1.298 139 L HN 0.542 8.772 8.230 -0.000 0.000 0.420 140 H N 1.438 120.323 119.070 -0.308 0.000 2.423 140 H HA -0.006 4.555 4.556 0.008 0.000 0.297 140 H C 0.902 175.877 175.328 -0.589 0.000 1.075 140 H CA 1.198 57.034 56.048 -0.354 0.000 1.342 140 H CB 0.757 30.340 29.762 -0.298 0.000 1.395 140 H HN 0.779 9.059 8.280 -0.000 0.000 0.530 141 G N -0.220 108.288 108.800 -0.487 0.000 3.291 141 G HA2 0.457 4.423 3.960 0.009 0.000 0.173 141 G HA3 0.457 4.423 3.960 0.009 0.000 0.173 141 G C -0.363 174.457 174.900 -0.133 0.000 1.099 141 G CA -0.353 44.416 45.100 -0.553 0.000 0.794 141 G HN 0.263 8.553 8.290 -0.000 0.000 0.651 142 K N -1.781 118.609 120.400 -0.016 0.000 2.056 142 K HA 0.655 4.980 4.320 0.009 0.000 0.252 142 K C -1.457 175.060 176.600 -0.138 0.000 0.900 142 K CA -0.839 55.464 56.287 0.025 0.000 0.763 142 K CB 0.784 33.369 32.500 0.141 0.000 1.558 142 K HN 0.256 8.506 8.250 -0.000 0.000 0.448 143 F N 0.673 120.626 119.950 0.006 0.000 2.440 143 F HA 0.400 4.933 4.527 0.009 0.000 0.328 143 F C -0.073 175.706 175.800 -0.035 0.000 1.070 143 F CA -0.946 57.021 58.000 -0.056 0.000 1.011 143 F CB 2.006 40.866 39.000 -0.234 0.000 1.226 143 F HN 0.045 8.345 8.300 -0.000 0.000 0.491 144 V N 2.033 122.051 119.914 0.174 0.000 2.353 144 V HA 0.298 4.423 4.120 0.009 0.000 0.264 144 V C 0.271 176.382 176.094 0.028 0.000 1.049 144 V CA 0.200 62.553 62.300 0.089 0.000 0.896 144 V CB 0.126 31.990 31.823 0.069 0.000 1.025 144 V HN 1.053 9.243 8.190 -0.000 0.000 0.475 145 T N 1.875 116.428 114.554 -0.002 0.000 1.832 145 T HA 0.712 5.068 4.350 0.009 0.000 0.171 145 T C 1.090 175.769 174.700 -0.035 0.000 0.718 145 T CA 0.698 62.751 62.100 -0.078 0.000 0.980 145 T CB 0.242 68.997 68.868 -0.189 0.000 3.173 145 T HN 1.373 9.613 8.240 -0.000 0.000 0.399 146 G N 2.620 111.408 108.800 -0.019 0.000 2.611 146 G HA2 -0.372 3.593 3.960 0.009 0.000 0.301 146 G HA3 -0.372 3.593 3.960 0.009 0.000 0.301 146 G C 0.595 175.531 174.900 0.060 0.000 1.233 146 G CA 1.114 46.252 45.100 0.064 0.000 0.993 146 G HN 1.167 9.457 8.290 -0.000 0.000 0.553 147 D N 0.672 121.114 120.400 0.069 0.000 2.351 147 D HA -0.077 4.568 4.640 0.009 0.000 0.216 147 D C 1.915 178.242 176.300 0.045 0.000 0.968 147 D CA 1.657 55.696 54.000 0.066 0.000 0.899 147 D CB -0.253 40.582 40.800 0.057 0.000 0.907 147 D HN 0.713 9.083 8.370 -0.000 0.000 0.514 148 Q N 0.160 119.975 119.800 0.025 0.000 2.319 148 Q HA 0.299 4.645 4.340 0.009 0.000 0.202 148 Q C 1.049 177.048 176.000 -0.001 0.000 0.896 148 Q CA 0.237 56.051 55.803 0.019 0.000 0.942 148 Q CB 0.753 29.498 28.738 0.011 0.000 1.083 148 Q HN 0.417 8.687 8.270 -0.000 0.000 0.510 149 G N 1.371 110.145 108.800 -0.043 0.000 2.697 149 G HA2 -0.328 3.638 3.960 0.009 0.000 0.240 149 G HA3 -0.328 3.638 3.960 0.009 0.000 0.240 149 G C 0.350 175.139 174.900 -0.185 0.000 1.346 149 G CA 0.031 45.060 45.100 -0.118 0.000 0.887 149 G HN 0.337 8.627 8.290 -0.000 0.000 0.569 150 L N -1.480 119.607 121.223 -0.227 0.000 2.240 150 L HA 0.632 4.977 4.340 0.009 0.000 0.211 150 L C 1.426 178.180 176.870 -0.193 0.000 1.106 150 L CA 2.287 56.972 54.840 -0.257 0.000 0.793 150 L CB -0.559 41.337 42.059 -0.272 0.000 0.927 150 L HN 2.349 10.579 8.230 -0.000 0.000 0.446 151 G N -1.194 107.526 108.800 -0.134 0.000 2.404 151 G HA2 0.242 4.208 3.960 0.009 0.000 0.253 151 G HA3 0.242 4.208 3.960 0.009 0.000 0.253 151 G C -1.596 173.277 174.900 -0.045 0.000 1.253 151 G CA -0.217 44.801 45.100 -0.138 0.000 0.917 151 G HN 0.747 9.037 8.290 -0.000 0.000 0.480 152 H N -1.906 117.117 119.070 -0.079 0.000 2.928 152 H HA 0.753 5.313 4.556 0.008 0.000 0.371 152 H C -0.569 174.700 175.328 -0.097 0.000 1.186 152 H CA -0.435 55.580 56.048 -0.055 0.000 1.134 152 H CB 1.881 31.567 29.762 -0.127 0.000 1.824 152 H HN 1.338 9.618 8.280 -0.000 0.000 0.554 153 C N 1.404 120.801 119.300 0.162 0.000 2.802 153 C HA 0.717 5.182 4.460 0.009 0.000 0.307 153 C C -0.168 174.784 174.990 -0.063 0.000 1.222 153 C CA -1.001 57.986 59.018 -0.052 0.000 1.580 153 C CB 0.345 28.020 27.740 -0.109 0.000 2.119 153 C HN 0.785 9.015 8.230 -0.000 0.000 0.479 154 I N 2.887 123.313 120.570 -0.240 0.000 2.336 154 I HA 0.588 4.763 4.170 0.009 0.000 0.292 154 I C 0.143 176.242 176.117 -0.030 0.000 0.991 154 I CA -0.245 61.004 61.300 -0.085 0.000 1.227 154 I CB 1.669 39.679 38.000 0.017 0.000 1.366 154 I HN 0.812 9.022 8.210 -0.000 0.000 0.466 155 V N 3.592 123.523 119.914 0.029 0.000 2.960 155 V HA 0.579 4.704 4.120 0.009 0.000 0.315 155 V C -0.071 176.052 176.094 0.047 0.000 1.087 155 V CA -1.191 61.123 62.300 0.024 0.000 0.982 155 V CB 1.753 33.593 31.823 0.027 0.000 1.039 155 V HN 0.810 9.000 8.190 -0.000 0.000 0.437 156 R N 1.881 122.391 120.500 0.016 0.000 2.537 156 R HA 0.372 4.717 4.340 0.009 0.000 0.280 156 R C -0.667 175.617 176.300 -0.027 0.000 1.058 156 R CA 0.019 56.124 56.100 0.009 0.000 1.057 156 R CB 0.442 30.741 30.300 -0.001 0.000 0.973 156 R HN 0.874 9.144 8.270 -0.000 0.000 0.438 157 Q N 1.530 121.309 119.800 -0.035 0.000 2.456 157 Q HA 0.189 4.535 4.340 0.009 0.000 0.283 157 Q C 0.141 176.103 176.000 -0.062 0.000 1.084 157 Q CA -0.502 55.240 55.803 -0.102 0.000 0.801 157 Q CB 2.225 30.832 28.738 -0.218 0.000 1.434 157 Q HN 0.859 9.129 8.270 -0.000 0.000 0.419 158 T N -3.789 110.719 114.554 -0.075 0.000 2.990 158 T HA 0.152 4.507 4.350 0.009 0.000 0.250 158 T C 0.117 174.791 174.700 -0.043 0.000 1.041 158 T CA 0.165 62.237 62.100 -0.047 0.000 1.010 158 T CB 0.467 69.308 68.868 -0.046 0.000 1.003 158 T HN 0.387 8.627 8.240 -0.000 0.000 0.499 159 D N 0.728 121.090 120.400 -0.063 0.000 2.375 159 D HA 0.281 4.926 4.640 0.009 0.000 0.241 159 D C 0.914 177.183 176.300 -0.052 0.000 1.361 159 D CA -0.328 53.647 54.000 -0.043 0.000 0.995 159 D CB 2.207 42.983 40.800 -0.040 0.000 1.312 159 D HN -0.076 8.294 8.370 -0.000 0.000 0.576 160 V N 3.183 123.095 119.914 -0.003 0.000 2.343 160 V HA -0.217 3.909 4.120 0.009 0.000 0.247 160 V C 2.569 178.718 176.094 0.092 0.000 1.051 160 V CA 2.327 64.663 62.300 0.059 0.000 1.036 160 V CB -0.546 31.370 31.823 0.154 0.000 0.654 160 V HN 0.671 8.861 8.190 -0.000 0.000 0.451 161 A N -0.521 122.334 122.820 0.059 0.000 1.902 161 A HA -0.204 4.121 4.320 0.009 0.000 0.217 161 A C 2.221 179.861 177.584 0.092 0.000 1.181 161 A CA 1.673 53.751 52.037 0.068 0.000 0.623 161 A CB -0.386 18.629 19.000 0.025 0.000 0.818 161 A HN 0.515 8.665 8.150 -0.000 0.000 0.443 162 E N -0.094 120.129 120.200 0.039 0.000 2.072 162 E HA -0.095 4.260 4.350 0.009 0.000 0.191 162 E C 2.389 179.007 176.600 0.030 0.000 0.985 162 E CA 1.196 57.620 56.400 0.039 0.000 0.801 162 E CB -0.649 29.049 29.700 -0.005 0.000 0.750 162 E HN 0.561 8.921 8.360 -0.000 0.000 0.452 163 A N 1.477 124.249 122.820 -0.080 0.000 1.908 163 A HA -0.233 4.092 4.320 0.009 0.000 0.218 163 A C 2.155 179.786 177.584 0.078 0.000 1.181 163 A CA 1.794 53.715 52.037 -0.194 0.000 0.627 163 A CB -0.859 17.681 19.000 -0.766 0.000 0.818 163 A HN 0.333 8.483 8.150 -0.000 0.000 0.445 164 H N 0.066 119.199 119.070 0.105 0.000 2.353 164 H HA -0.118 4.443 4.556 0.009 0.000 0.300 164 H C 2.085 177.500 175.328 0.146 0.000 1.090 164 H CA 2.004 58.191 56.048 0.232 0.000 1.327 164 H CB -0.123 29.761 29.762 0.202 0.000 1.383 164 H HN 0.577 8.857 8.280 -0.000 0.000 0.508 165 K N -0.334 120.217 120.400 0.251 0.000 2.032 165 K HA -0.184 4.142 4.320 0.009 0.000 0.209 165 K C 2.287 178.935 176.600 0.081 0.000 1.048 165 K CA 1.587 57.986 56.287 0.186 0.000 0.927 165 K CB -0.379 32.241 32.500 0.199 0.000 0.712 165 K HN 0.176 8.426 8.250 -0.000 0.000 0.441 166 F N 0.540 120.406 119.950 -0.141 0.000 2.075 166 F HA -0.211 4.322 4.527 0.009 0.000 0.297 166 F C 1.706 177.195 175.800 -0.517 0.000 1.113 166 F CA 1.570 59.299 58.000 -0.451 0.000 1.218 166 F CB -0.461 38.153 39.000 -0.644 0.000 0.984 166 F HN 0.043 8.343 8.300 -0.000 0.000 0.472 167 Y N -0.436 119.692 120.300 -0.286 0.000 2.293 167 Y HA -0.157 4.399 4.550 0.009 0.000 0.291 167 Y C 3.003 178.704 175.900 -0.331 0.000 1.137 167 Y CA 1.505 59.289 58.100 -0.525 0.000 1.202 167 Y CB -1.223 36.839 38.460 -0.663 0.000 0.990 167 Y HN 0.157 8.437 8.280 -0.000 0.000 0.537 168 S N 0.178 115.769 115.700 -0.183 0.000 2.368 168 S HA -0.203 4.272 4.470 0.009 0.000 0.225 168 S C 2.150 176.678 174.600 -0.121 0.000 1.030 168 S CA 1.218 59.330 58.200 -0.148 0.000 0.999 168 S CB -0.593 62.519 63.200 -0.146 0.000 0.844 168 S HN 0.533 8.843 8.310 -0.000 0.000 0.459 169 L N 1.061 122.171 121.223 -0.188 0.000 2.083 169 L HA -0.001 4.345 4.340 0.009 0.000 0.209 169 L C 1.900 178.623 176.870 -0.245 0.000 1.083 169 L CA 1.411 56.129 54.840 -0.202 0.000 0.752 169 L CB -0.263 41.652 42.059 -0.239 0.000 0.899 169 L HN 0.365 8.595 8.230 -0.000 0.000 0.433 170 L N -0.338 120.681 121.223 -0.339 0.000 2.549 170 L HA 0.016 4.361 4.340 0.009 0.000 0.229 170 L C 1.547 178.358 176.870 -0.099 0.000 1.158 170 L CA 0.818 55.511 54.840 -0.244 0.000 0.842 170 L CB -0.735 41.158 42.059 -0.276 0.000 0.952 170 L HN 0.656 8.886 8.230 -0.000 0.000 0.452 171 G N -1.133 107.630 108.800 -0.062 0.000 2.184 171 G HA2 -0.235 3.730 3.960 0.009 0.000 0.206 171 G HA3 -0.235 3.730 3.960 0.009 0.000 0.206 171 G C 0.070 174.888 174.900 -0.137 0.000 0.995 171 G CA -0.643 44.391 45.100 -0.111 0.000 0.651 171 G HN 0.108 8.398 8.290 -0.000 0.000 0.511 172 F N 0.617 120.433 119.950 -0.223 0.000 2.406 172 F HA 0.749 5.282 4.527 0.010 0.000 0.327 172 F C 0.983 176.612 175.800 -0.286 0.000 1.153 172 F CA -0.084 57.764 58.000 -0.252 0.000 1.218 172 F CB 0.884 39.740 39.000 -0.240 0.000 1.215 172 F HN 0.233 8.533 8.300 -0.000 0.000 0.570 173 R N 0.402 120.761 120.500 -0.235 0.000 2.744 173 R HA 0.766 5.111 4.340 0.009 0.000 0.279 173 R C -0.764 175.377 176.300 -0.265 0.000 0.977 173 R CA -0.313 55.621 56.100 -0.277 0.000 0.906 173 R CB 2.051 32.159 30.300 -0.319 0.000 1.197 173 R HN 0.948 9.218 8.270 -0.000 0.000 0.463 174 G N 1.657 110.465 108.800 0.013 0.000 2.359 174 G HA2 0.184 4.149 3.960 0.009 0.000 0.314 174 G HA3 0.184 4.149 3.960 0.009 0.000 0.314 174 G C -1.931 173.106 174.900 0.228 0.000 1.364 174 G CA -0.269 44.913 45.100 0.138 0.000 0.978 174 G HN 0.639 8.929 8.290 -0.000 0.000 0.615 175 D N -2.171 118.337 120.400 0.181 0.000 3.103 175 D HA 0.409 5.054 4.640 0.009 0.000 0.337 175 D C -0.114 176.248 176.300 0.103 0.000 1.356 175 D CA -0.202 53.880 54.000 0.137 0.000 0.951 175 D CB 1.607 42.449 40.800 0.070 0.000 1.438 175 D HN 0.539 8.909 8.370 -0.000 0.000 0.562 176 V N 1.776 121.721 119.914 0.052 0.000 2.493 176 V HA 0.056 4.181 4.120 0.009 0.000 0.292 176 V C 1.100 177.284 176.094 0.151 0.000 1.016 176 V CA 1.235 63.578 62.300 0.072 0.000 1.097 176 V CB 0.838 32.650 31.823 -0.018 0.000 0.947 176 V HN 0.434 8.624 8.190 -0.000 0.000 0.479 177 E N 2.972 123.368 120.200 0.328 0.000 2.485 177 E HA 0.181 4.536 4.350 0.009 0.000 0.213 177 E C -0.844 175.955 176.600 0.332 0.000 0.923 177 E CA 0.110 56.685 56.400 0.292 0.000 1.054 177 E CB 0.827 30.686 29.700 0.264 0.000 1.077 177 E HN 0.697 9.057 8.360 -0.000 0.000 0.509 178 Y N 0.661 121.152 120.300 0.318 0.000 2.361 178 Y HA 0.390 4.945 4.550 0.008 0.000 0.337 178 Y C -0.499 175.519 175.900 0.196 0.000 0.965 178 Y CA -0.836 57.435 58.100 0.286 0.000 1.091 178 Y CB 1.467 40.094 38.460 0.279 0.000 1.182 178 Y HN -0.289 7.991 8.280 -0.000 0.000 0.450 179 R N 5.019 125.701 120.500 0.305 0.000 2.358 179 R HA 0.467 4.812 4.340 0.009 0.000 0.309 179 R C -1.445 174.987 176.300 0.220 0.000 1.026 179 R CA -0.667 55.552 56.100 0.198 0.000 0.909 179 R CB 1.013 31.373 30.300 0.100 0.000 1.153 179 R HN 0.439 8.709 8.270 -0.000 0.000 0.515 180 I N 4.637 125.332 120.570 0.210 0.000 2.321 180 I HA 0.311 4.486 4.170 0.009 0.000 0.291 180 I C -2.148 174.044 176.117 0.125 0.000 0.998 180 I CA -3.439 57.977 61.300 0.194 0.000 1.227 180 I CB 1.179 39.296 38.000 0.194 0.000 1.368 180 I HN 0.196 8.406 8.210 -0.000 0.000 0.466 181 P HA 0.319 4.739 4.420 -0.000 0.000 0.271 181 P C -0.714 176.629 177.300 0.070 0.000 1.216 181 P CA -0.140 63.009 63.100 0.081 0.000 0.771 181 P CB 0.684 32.430 31.700 0.076 0.000 0.864 182 L N 5.254 126.510 121.223 0.056 0.000 2.333 182 L HA 0.449 4.794 4.340 0.009 0.000 0.269 182 L C -1.159 175.734 176.870 0.040 0.000 1.010 182 L CA -2.168 52.700 54.840 0.047 0.000 0.818 182 L CB 1.971 44.055 42.059 0.041 0.000 1.306 182 L HN 0.226 8.457 8.230 -0.000 0.000 0.430 183 P HA -0.168 4.252 4.420 -0.000 0.000 0.216 183 P C 0.672 177.989 177.300 0.027 0.000 1.150 183 P CA 1.372 64.491 63.100 0.032 0.000 0.837 183 P CB -0.156 31.562 31.700 0.030 0.000 0.786 184 N N -0.606 118.109 118.700 0.026 0.000 2.609 184 N HA -0.086 4.659 4.740 0.009 0.000 0.190 184 N C 1.412 176.935 175.510 0.022 0.000 1.157 184 N CA 1.282 54.346 53.050 0.022 0.000 0.918 184 N CB -0.614 37.886 38.487 0.020 0.000 0.978 184 N HN 0.266 8.646 8.380 -0.000 0.000 0.448 185 G N 0.108 108.923 108.800 0.025 0.000 2.213 185 G HA2 -0.302 3.663 3.960 0.009 0.000 0.236 185 G HA3 -0.302 3.663 3.960 0.009 0.000 0.236 185 G C 0.075 174.991 174.900 0.026 0.000 0.991 185 G CA 0.414 45.529 45.100 0.025 0.000 0.629 185 G HN 0.392 8.681 8.290 -0.000 0.000 0.517 186 M N 1.274 120.890 119.600 0.026 0.000 1.921 186 M HA 0.688 5.173 4.480 0.009 0.000 0.243 186 M C 0.509 176.830 176.300 0.034 0.000 1.280 186 M CA 0.624 55.940 55.300 0.026 0.000 0.988 186 M CB 0.772 33.385 32.600 0.022 0.000 1.336 186 M HN 0.114 8.404 8.290 -0.000 0.000 0.496 187 T N 1.401 115.975 114.554 0.033 0.000 2.881 187 T HA 0.750 5.106 4.350 0.009 0.000 0.290 187 T C -1.310 173.417 174.700 0.045 0.000 1.000 187 T CA -0.692 61.435 62.100 0.045 0.000 0.978 187 T CB 1.332 70.224 68.868 0.039 0.000 0.997 187 T HN 0.718 8.958 8.240 -0.000 0.000 0.443 188 A N 3.050 125.907 122.820 0.061 0.000 2.276 188 A HA 0.577 4.902 4.320 0.009 0.000 0.300 188 A C 0.063 177.693 177.584 0.077 0.000 1.235 188 A CA -0.548 51.524 52.037 0.058 0.000 0.867 188 A CB 0.249 19.284 19.000 0.057 0.000 1.137 188 A HN 0.805 8.955 8.150 -0.000 0.000 0.527 189 E N 2.198 122.431 120.200 0.055 0.000 2.151 189 E HA 0.519 4.874 4.350 0.009 0.000 0.275 189 E C -1.247 175.378 176.600 0.042 0.000 0.936 189 E CA -0.315 56.122 56.400 0.062 0.000 0.777 189 E CB 1.740 31.453 29.700 0.022 0.000 1.108 189 E HN 0.608 8.968 8.360 -0.000 0.000 0.401 190 L N 1.913 123.180 121.223 0.073 0.000 2.365 190 L HA 0.416 4.761 4.340 0.009 0.000 0.273 190 L C -0.337 176.425 176.870 -0.180 0.000 1.000 190 L CA -0.626 54.148 54.840 -0.110 0.000 0.819 190 L CB 2.100 44.066 42.059 -0.156 0.000 1.284 190 L HN 0.439 8.669 8.230 -0.000 0.000 0.418 191 S N 1.913 117.312 115.700 -0.502 0.000 2.549 191 S HA 0.747 5.222 4.470 0.009 0.000 0.297 191 S C -1.013 173.005 174.600 -0.970 0.000 1.115 191 S CA -0.415 57.505 58.200 -0.466 0.000 1.059 191 S CB 1.263 64.248 63.200 -0.357 0.000 1.046 191 S HN 0.247 8.557 8.310 -0.000 0.000 0.506 192 F N 1.617 121.358 119.950 -0.349 0.000 2.539 192 F HA 0.560 5.093 4.527 0.010 0.000 0.318 192 F C -0.060 175.641 175.800 -0.164 0.000 1.135 192 F CA -0.652 57.125 58.000 -0.371 0.000 0.915 192 F CB 1.395 40.150 39.000 -0.408 0.000 1.176 192 F HN 0.227 8.527 8.300 -0.000 0.000 0.440 193 M N 4.332 123.941 119.600 0.015 0.000 2.395 193 M HA 0.422 4.907 4.480 0.009 0.000 0.307 193 M C -0.925 175.557 176.300 0.303 0.000 1.091 193 M CA -0.740 54.615 55.300 0.093 0.000 0.919 193 M CB 2.491 35.059 32.600 -0.054 0.000 1.662 193 M HN 0.640 8.930 8.290 -0.000 0.000 0.440 194 H N 0.428 119.649 119.070 0.253 0.000 2.670 194 H HA 0.573 5.135 4.556 0.010 0.000 0.361 194 H C -0.194 175.117 175.328 -0.028 0.000 1.169 194 H CA -1.030 55.119 56.048 0.168 0.000 1.198 194 H CB 1.668 31.500 29.762 0.117 0.000 1.700 194 H HN 1.025 9.305 8.280 -0.000 0.000 0.542 195 C N 0.983 120.225 119.300 -0.097 0.000 3.657 195 C HA 0.385 4.850 4.460 0.009 0.000 0.291 195 C C -0.140 174.787 174.990 -0.106 0.000 1.572 195 C CA -0.042 58.752 59.018 -0.372 0.000 1.818 195 C CB -1.685 25.471 27.740 -0.973 0.000 2.903 195 C HN 0.938 9.168 8.230 -0.000 0.000 0.632 196 N N -0.176 118.552 118.700 0.046 0.000 3.496 196 N HA 0.472 5.217 4.740 0.009 0.000 0.331 196 N C 0.508 176.053 175.510 0.059 0.000 1.532 196 N CA 0.037 53.114 53.050 0.046 0.000 0.863 196 N CB 0.358 38.863 38.487 0.031 0.000 1.927 196 N HN 0.037 8.417 8.380 -0.000 0.000 0.529 197 A N -0.935 121.902 122.820 0.029 0.000 2.119 197 A HA 0.040 4.365 4.320 0.009 0.000 0.217 197 A C 1.016 178.602 177.584 0.003 0.000 1.153 197 A CA 0.512 52.550 52.037 0.002 0.000 0.692 197 A CB -0.706 18.295 19.000 0.001 0.000 0.799 197 A HN 0.532 8.682 8.150 -0.000 0.000 0.458 198 R N 0.434 120.955 120.500 0.035 0.000 2.570 198 R HA 0.025 4.370 4.340 0.009 0.000 0.277 198 R C 0.854 177.189 176.300 0.058 0.000 1.039 198 R CA 0.585 56.710 56.100 0.042 0.000 1.065 198 R CB 0.227 30.566 30.300 0.065 0.000 0.964 198 R HN 0.457 8.727 8.270 -0.000 0.000 0.428 199 D N 2.156 122.582 120.400 0.043 0.000 2.133 199 D HA -0.207 4.438 4.640 0.009 0.000 0.192 199 D C 0.085 176.527 176.300 0.236 0.000 1.001 199 D CA 1.973 56.024 54.000 0.085 0.000 0.844 199 D CB 0.201 41.073 40.800 0.120 0.000 0.944 199 D HN 0.655 9.025 8.370 -0.000 0.000 0.447 200 H N -3.813 115.336 119.070 0.132 0.000 3.016 200 H HA 0.513 5.075 4.556 0.009 0.000 0.362 200 H C -0.423 175.037 175.328 0.220 0.000 1.233 200 H CA -0.703 55.454 56.048 0.183 0.000 1.124 200 H CB 1.520 31.376 29.762 0.157 0.000 1.850 200 H HN -0.144 8.136 8.280 -0.000 0.000 0.549 201 S N 0.666 116.590 115.700 0.372 0.000 2.539 201 S HA 0.204 4.679 4.470 0.009 0.000 0.226 201 S C 0.288 175.161 174.600 0.456 0.000 1.054 201 S CA 0.112 58.566 58.200 0.424 0.000 0.910 201 S CB 0.394 63.941 63.200 0.579 0.000 0.818 201 S HN 0.498 8.808 8.310 -0.000 0.000 0.490 202 I N 0.817 121.578 120.570 0.317 0.000 2.722 202 I HA 0.738 4.913 4.170 0.009 0.000 0.295 202 I C -1.489 174.541 176.117 -0.144 0.000 1.161 202 I CA -0.694 60.654 61.300 0.080 0.000 1.032 202 I CB 1.760 39.626 38.000 -0.223 0.000 1.244 202 I HN 0.058 8.268 8.210 -0.000 0.000 0.421 203 A N 5.506 128.175 122.820 -0.251 0.000 2.606 203 A HA 0.955 5.280 4.320 0.009 0.000 0.293 203 A C -1.777 175.494 177.584 -0.522 0.000 1.082 203 A CA -0.425 51.180 52.037 -0.720 0.000 0.685 203 A CB 1.284 19.793 19.000 -0.818 0.000 1.284 203 A HN 1.055 9.205 8.150 -0.000 0.000 0.408 204 F N -1.951 117.753 119.950 -0.410 0.000 2.769 204 F HA 0.801 5.334 4.527 0.009 0.000 0.313 204 F C -0.020 175.648 175.800 -0.220 0.000 1.146 204 F CA -0.369 57.484 58.000 -0.244 0.000 0.934 204 F CB 0.593 39.497 39.000 -0.159 0.000 1.283 204 F HN 1.252 9.552 8.300 -0.000 0.000 0.443 205 G N -0.581 108.297 108.800 0.129 0.000 2.975 205 G HA2 0.668 4.633 3.960 0.009 0.000 0.291 205 G HA3 0.668 4.633 3.960 0.009 0.000 0.291 205 G C -1.219 173.736 174.900 0.091 0.000 1.334 205 G CA -0.560 44.593 45.100 0.087 0.000 0.843 205 G HN 1.321 9.611 8.290 -0.000 0.000 0.548 206 A N 0.403 123.256 122.820 0.054 0.000 2.610 206 A HA 0.443 4.768 4.320 0.009 0.000 0.286 206 A C 0.912 178.510 177.584 0.024 0.000 1.306 206 A CA -0.182 51.874 52.037 0.033 0.000 0.942 206 A CB -0.658 18.357 19.000 0.025 0.000 1.112 206 A HN 0.614 8.764 8.150 -0.000 0.000 0.527 207 M N 0.551 120.167 119.600 0.027 0.000 2.235 207 M HA 0.425 4.910 4.480 0.009 0.000 0.351 207 M C -2.637 173.676 176.300 0.023 0.000 1.178 207 M CA -1.908 53.407 55.300 0.024 0.000 1.143 207 M CB -0.483 32.133 32.600 0.027 0.000 1.530 207 M HN -0.011 8.279 8.290 -0.000 0.000 0.461 208 P HA 0.479 4.899 4.420 -0.000 0.000 0.269 208 P C -1.315 176.001 177.300 0.026 0.000 1.215 208 P CA -0.280 62.831 63.100 0.017 0.000 0.780 208 P CB 0.716 32.424 31.700 0.014 0.000 0.898 209 A N 0.791 123.626 122.820 0.026 0.000 2.513 209 A HA 0.559 4.884 4.320 0.009 0.000 0.296 209 A C 0.576 178.181 177.584 0.035 0.000 1.052 209 A CA -0.099 51.961 52.037 0.038 0.000 0.714 209 A CB 1.163 20.190 19.000 0.046 0.000 1.279 209 A HN 0.432 8.582 8.150 -0.000 0.000 0.397 210 A N 1.684 124.530 122.820 0.043 0.000 2.067 210 A HA 0.218 4.543 4.320 0.009 0.000 0.217 210 A C 0.958 178.571 177.584 0.049 0.000 1.156 210 A CA 1.185 53.246 52.037 0.040 0.000 0.683 210 A CB -0.063 18.961 19.000 0.041 0.000 0.808 210 A HN 0.655 8.805 8.150 -0.000 0.000 0.455 211 K N -1.279 119.159 120.400 0.064 0.000 2.267 211 K HA 0.470 4.796 4.320 0.009 0.000 0.246 211 K C 0.410 177.023 176.600 0.021 0.000 0.954 211 K CA -0.839 55.483 56.287 0.059 0.000 0.824 211 K CB 1.596 34.166 32.500 0.117 0.000 1.167 211 K HN 0.084 8.334 8.250 -0.000 0.000 0.431 212 R N 0.285 120.776 120.500 -0.015 0.000 2.091 212 R HA -0.111 4.234 4.340 0.009 0.000 0.238 212 R C 0.559 176.819 176.300 -0.066 0.000 1.136 212 R CA 1.124 57.198 56.100 -0.043 0.000 0.959 212 R CB -0.194 30.066 30.300 -0.066 0.000 0.856 212 R HN 0.251 8.521 8.270 -0.000 0.000 0.437 213 L N 1.427 122.571 121.223 -0.131 0.000 2.272 213 L HA 0.145 4.490 4.340 0.009 0.000 0.289 213 L C 0.674 177.522 176.870 -0.037 0.000 1.032 213 L CA 0.004 54.719 54.840 -0.208 0.000 0.810 213 L CB 1.252 42.956 42.059 -0.592 0.000 1.205 213 L HN 0.016 8.246 8.230 -0.000 0.000 0.422 214 N N 3.264 121.995 118.700 0.052 0.000 2.182 214 N HA -0.029 4.717 4.740 0.009 0.000 0.186 214 N C -0.332 175.410 175.510 0.387 0.000 1.036 214 N CA 0.791 53.973 53.050 0.219 0.000 0.850 214 N CB 0.261 38.889 38.487 0.234 0.000 1.010 214 N HN 0.800 9.180 8.380 -0.000 0.000 0.432 215 H N -1.125 118.068 119.070 0.205 0.000 3.037 215 H HA 0.413 4.974 4.556 0.008 0.000 0.355 215 H C -1.782 173.643 175.328 0.163 0.000 1.263 215 H CA -0.885 55.335 56.048 0.287 0.000 1.129 215 H CB 1.013 30.999 29.762 0.374 0.000 1.861 215 H HN 0.061 8.341 8.280 -0.000 0.000 0.546 216 L N 2.468 123.824 121.223 0.221 0.000 2.333 216 L HA 0.470 4.815 4.340 0.009 0.000 0.280 216 L C -0.807 176.089 176.870 0.044 0.000 1.004 216 L CA -0.667 54.196 54.840 0.039 0.000 0.820 216 L CB 1.703 43.825 42.059 0.106 0.000 1.247 216 L HN 0.713 8.943 8.230 -0.000 0.000 0.416 217 M N 6.327 125.805 119.600 -0.204 0.000 2.180 217 M HA 0.472 4.957 4.480 0.009 0.000 0.350 217 M C -1.840 174.280 176.300 -0.301 0.000 1.125 217 M CA -0.445 54.645 55.300 -0.350 0.000 1.031 217 M CB 1.003 33.048 32.600 -0.925 0.000 1.623 217 M HN 0.634 8.924 8.290 -0.000 0.000 0.451 218 L N 3.618 124.715 121.223 -0.211 0.000 2.365 218 L HA 0.535 4.880 4.340 0.009 0.000 0.273 218 L C -0.319 176.462 176.870 -0.148 0.000 1.000 218 L CA -0.573 54.158 54.840 -0.181 0.000 0.819 218 L CB 2.226 44.175 42.059 -0.183 0.000 1.284 218 L HN 0.674 8.904 8.230 -0.000 0.000 0.418 219 E N 1.945 122.111 120.200 -0.056 0.000 2.145 219 E HA 0.352 4.707 4.350 0.009 0.000 0.270 219 E C -1.533 175.103 176.600 0.060 0.000 0.906 219 E CA -0.652 55.752 56.400 0.006 0.000 0.761 219 E CB 1.209 30.922 29.700 0.021 0.000 1.116 219 E HN 0.332 8.692 8.360 -0.000 0.000 0.408 220 Y N 1.577 121.993 120.300 0.193 0.000 2.301 220 Y HA 0.036 4.590 4.550 0.008 0.000 0.328 220 Y C 2.003 178.059 175.900 0.260 0.000 1.242 220 Y CA 0.065 58.211 58.100 0.076 0.000 1.323 220 Y CB 1.427 39.921 38.460 0.056 0.000 1.266 220 Y HN 0.635 8.915 8.280 -0.000 0.000 0.527 221 T N -2.334 112.458 114.554 0.397 0.000 2.951 221 T HA -0.045 4.310 4.350 0.009 0.000 0.268 221 T C 0.099 175.166 174.700 0.612 0.000 1.073 221 T CA 1.039 63.414 62.100 0.458 0.000 1.134 221 T CB -0.359 68.759 68.868 0.417 0.000 0.884 221 T HN 0.498 8.738 8.240 -0.000 0.000 0.479 222 H N -0.184 119.018 119.070 0.220 0.000 2.466 222 H HA 0.513 5.075 4.556 0.010 0.000 0.338 222 H C 0.884 175.856 175.328 -0.592 0.000 1.091 222 H CA -0.902 55.086 56.048 -0.099 0.000 1.207 222 H CB 1.584 31.275 29.762 -0.118 0.000 1.466 222 H HN 0.013 8.293 8.280 -0.000 0.000 0.493 223 M N 1.882 120.705 119.600 -1.294 0.000 2.202 223 M HA -0.194 4.291 4.480 0.009 0.000 0.262 223 M C 0.861 176.782 176.300 -0.632 0.000 1.063 223 M CA 1.851 56.310 55.300 -1.402 0.000 1.097 223 M CB 0.180 31.749 32.600 -1.718 0.000 1.382 223 M HN 0.633 8.923 8.290 -0.000 0.000 0.413 224 E N 0.744 120.637 120.200 -0.512 0.000 2.153 224 E HA -0.191 4.165 4.350 0.009 0.000 0.194 224 E C 1.604 178.021 176.600 -0.305 0.000 0.988 224 E CA 1.576 57.694 56.400 -0.470 0.000 0.811 224 E CB -0.256 28.933 29.700 -0.853 0.000 0.746 224 E HN 0.582 8.942 8.360 -0.000 0.000 0.466 225 D N -0.190 120.025 120.400 -0.308 0.000 2.149 225 D HA -0.089 4.556 4.640 0.009 0.000 0.201 225 D C 1.921 177.870 176.300 -0.584 0.000 0.972 225 D CA 0.427 54.168 54.000 -0.431 0.000 0.835 225 D CB -0.144 40.240 40.800 -0.694 0.000 0.966 225 D HN 0.102 8.472 8.370 -0.000 0.000 0.476 226 L N 1.123 122.081 121.223 -0.441 0.000 2.017 226 L HA -0.023 4.322 4.340 0.009 0.000 0.208 226 L C 2.176 179.070 176.870 0.041 0.000 1.073 226 L CA 2.212 57.018 54.840 -0.056 0.000 0.745 226 L CB -0.985 41.171 42.059 0.163 0.000 0.894 226 L HN 0.034 8.264 8.230 -0.000 0.000 0.432 227 G N -1.825 106.942 108.800 -0.055 0.000 2.418 227 G HA2 -0.375 3.590 3.960 0.009 0.000 0.217 227 G HA3 -0.375 3.590 3.960 0.009 0.000 0.217 227 G C 1.597 176.528 174.900 0.051 0.000 1.158 227 G CA 0.988 46.073 45.100 -0.025 0.000 0.771 227 G HN 0.535 8.825 8.290 -0.000 0.000 0.545 228 Y N 1.740 122.003 120.300 -0.062 0.000 2.181 228 Y HA -0.124 4.431 4.550 0.009 0.000 0.288 228 Y C 3.149 179.072 175.900 0.037 0.000 1.146 228 Y CA 2.096 60.185 58.100 -0.018 0.000 1.164 228 Y CB -0.314 38.131 38.460 -0.025 0.000 0.982 228 Y HN 0.196 8.476 8.280 -0.000 0.000 0.515 229 T N -0.460 114.199 114.554 0.175 0.000 2.684 229 T HA -0.273 4.083 4.350 0.009 0.000 0.267 229 T C 1.821 176.705 174.700 0.307 0.000 1.036 229 T CA 1.748 64.016 62.100 0.280 0.000 1.148 229 T CB -0.615 68.501 68.868 0.413 0.000 0.863 229 T HN 0.572 8.812 8.240 -0.000 0.000 0.436 230 H N 1.050 120.145 119.070 0.040 0.000 2.319 230 H HA -0.121 4.440 4.556 0.009 0.000 0.299 230 H C 2.462 177.659 175.328 -0.219 0.000 1.092 230 H CA 2.096 57.896 56.048 -0.414 0.000 1.302 230 H CB -0.201 29.217 29.762 -0.574 0.000 1.373 230 H HN 0.469 8.749 8.280 -0.000 0.000 0.497 231 Q N -0.095 119.631 119.800 -0.124 0.000 2.135 231 Q HA -0.171 4.174 4.340 0.009 0.000 0.204 231 Q C 2.311 178.170 176.000 -0.236 0.000 0.981 231 Q CA 1.468 57.151 55.803 -0.200 0.000 0.856 231 Q CB 0.145 28.744 28.738 -0.230 0.000 0.902 231 Q HN 0.505 8.775 8.270 -0.000 0.000 0.425 232 Q N -0.505 119.160 119.800 -0.227 0.000 2.084 232 Q HA -0.141 4.205 4.340 0.009 0.000 0.202 232 Q C 1.903 177.842 176.000 -0.102 0.000 0.978 232 Q CA 1.179 56.870 55.803 -0.187 0.000 0.844 232 Q CB -0.236 28.419 28.738 -0.138 0.000 0.898 232 Q HN 0.417 8.687 8.270 -0.000 0.000 0.426 233 F N 0.076 119.927 119.950 -0.165 0.000 2.146 233 F HA -0.176 4.357 4.527 0.009 0.000 0.298 233 F C 2.484 178.175 175.800 -0.181 0.000 1.096 233 F CA 0.753 58.683 58.000 -0.117 0.000 1.275 233 F CB -0.651 38.321 39.000 -0.048 0.000 1.008 233 F HN -0.160 8.140 8.300 -0.000 0.000 0.480 234 V N 0.045 119.890 119.914 -0.114 0.000 2.295 234 V HA -0.293 3.832 4.120 0.009 0.000 0.246 234 V C 2.261 178.297 176.094 -0.095 0.000 1.049 234 V CA 1.847 64.063 62.300 -0.141 0.000 1.024 234 V CB -0.596 31.102 31.823 -0.209 0.000 0.648 234 V HN 0.258 8.448 8.190 -0.000 0.000 0.447 235 K N 0.177 120.510 120.400 -0.112 0.000 2.147 235 K HA -0.105 4.220 4.320 0.009 0.000 0.205 235 K C 1.568 178.117 176.600 -0.085 0.000 1.049 235 K CA 1.215 57.444 56.287 -0.096 0.000 0.936 235 K CB -0.201 32.230 32.500 -0.115 0.000 0.722 235 K HN 0.453 8.703 8.250 -0.000 0.000 0.446 236 N N 1.227 119.867 118.700 -0.100 0.000 2.322 236 N HA -0.024 4.721 4.740 0.009 0.000 0.194 236 N C -0.781 174.683 175.510 -0.077 0.000 1.126 236 N CA 0.304 53.295 53.050 -0.100 0.000 0.845 236 N CB 0.572 38.972 38.487 -0.145 0.000 0.976 236 N HN 0.171 8.551 8.380 -0.000 0.000 0.475 237 E N 0.540 120.708 120.200 -0.054 0.000 2.360 237 E HA -0.204 4.151 4.350 0.009 0.000 0.238 237 E C -0.538 176.058 176.600 -0.008 0.000 1.186 237 E CA 0.352 56.738 56.400 -0.024 0.000 0.719 237 E CB -1.617 28.070 29.700 -0.022 0.000 1.236 237 E HN 0.468 8.828 8.360 -0.000 0.000 0.386 238 I N 1.337 121.908 120.570 0.000 0.000 2.395 238 I HA 0.067 4.242 4.170 0.009 0.000 0.289 238 I C 0.829 177.041 176.117 0.158 0.000 1.023 238 I CA -0.595 60.732 61.300 0.045 0.000 1.350 238 I CB 0.551 38.519 38.000 -0.054 0.000 1.409 238 I HN -0.066 8.144 8.210 -0.000 0.000 0.507 239 D N 6.740 127.218 120.400 0.130 0.000 2.586 239 D HA 0.083 4.728 4.640 0.009 0.000 0.234 239 D C -0.118 176.262 176.300 0.133 0.000 1.132 239 D CA 0.801 54.879 54.000 0.130 0.000 0.860 239 D CB 0.513 41.408 40.800 0.158 0.000 1.159 239 D HN 0.255 8.625 8.370 -0.000 0.000 0.490 240 I N 2.410 123.055 120.570 0.124 0.000 2.328 240 I HA 0.201 4.376 4.170 0.009 0.000 0.287 240 I C 1.192 177.363 176.117 0.090 0.000 1.012 240 I CA -0.506 60.874 61.300 0.134 0.000 1.195 240 I CB 1.692 39.773 38.000 0.134 0.000 1.350 240 I HN 0.402 8.612 8.210 -0.000 0.000 0.464 241 A N 7.600 130.435 122.820 0.024 0.000 1.898 241 A HA 0.246 4.572 4.320 0.009 0.000 0.214 241 A C 0.787 178.407 177.584 0.060 0.000 1.183 241 A CA 0.938 52.989 52.037 0.024 0.000 0.622 241 A CB 0.116 19.063 19.000 -0.089 0.000 0.824 241 A HN 0.591 8.741 8.150 -0.000 0.000 0.444 242 L N 0.400 121.681 121.223 0.096 0.000 2.381 242 L HA 0.325 4.671 4.340 0.009 0.000 0.274 242 L C -0.455 176.581 176.870 0.277 0.000 0.988 242 L CA -0.713 54.197 54.840 0.117 0.000 0.824 242 L CB 1.944 43.959 42.059 -0.073 0.000 1.263 242 L HN 0.348 8.578 8.230 -0.000 0.000 0.410 243 Q N 1.857 121.789 119.800 0.220 0.000 2.500 243 Q HA 0.377 4.722 4.340 0.009 0.000 0.215 243 Q C -0.436 175.691 176.000 0.212 0.000 1.062 243 Q CA -0.664 55.265 55.803 0.210 0.000 0.996 243 Q CB 0.766 29.579 28.738 0.126 0.000 1.239 243 Q HN 0.434 8.704 8.270 -0.000 0.000 0.578 244 L N 0.617 121.894 121.223 0.090 0.000 2.559 244 L HA 0.159 4.504 4.340 0.009 0.000 0.282 244 L C 0.610 177.246 176.870 -0.391 0.000 1.232 244 L CA 0.588 55.407 54.840 -0.035 0.000 0.885 244 L CB -0.080 41.917 42.059 -0.102 0.000 1.131 244 L HN 0.786 9.016 8.230 -0.000 0.000 0.498 245 G N 3.804 112.104 108.800 -0.834 0.000 2.488 245 G HA2 0.575 4.541 3.960 0.009 0.000 0.301 245 G HA3 0.575 4.541 3.960 0.009 0.000 0.301 245 G C -1.690 172.350 174.900 -1.433 0.000 1.339 245 G CA -0.662 43.397 45.100 -1.735 0.000 0.803 245 G HN 0.388 8.678 8.290 -0.000 0.000 0.482 246 I N 1.299 121.160 120.570 -1.182 0.000 2.478 246 I HA 0.306 4.481 4.170 0.009 0.000 0.287 246 I C -0.493 175.505 176.117 -0.198 0.000 1.042 246 I CA -0.935 60.107 61.300 -0.430 0.000 1.067 246 I CB 1.962 39.889 38.000 -0.120 0.000 1.233 246 I HN 0.400 8.610 8.210 -0.000 0.000 0.431 247 H N 3.928 123.078 119.070 0.132 0.000 2.690 247 H HA 0.215 4.776 4.556 0.008 0.000 0.365 247 H C 0.836 176.163 175.328 -0.002 0.000 1.142 247 H CA 0.042 56.178 56.048 0.147 0.000 1.417 247 H CB 1.505 31.350 29.762 0.137 0.000 1.446 247 H HN 0.763 9.043 8.280 -0.000 0.000 0.599 248 A N 2.948 125.811 122.820 0.072 0.000 2.014 248 A HA -0.183 4.142 4.320 0.009 0.000 0.218 248 A C 1.918 179.067 177.584 -0.725 0.000 1.163 248 A CA 1.239 53.016 52.037 -0.434 0.000 0.652 248 A CB -0.236 18.288 19.000 -0.793 0.000 0.808 248 A HN 0.811 8.961 8.150 -0.000 0.000 0.449 249 N N 1.408 119.829 118.700 -0.465 0.000 2.176 249 N HA -0.109 4.636 4.740 0.009 0.000 0.187 249 N C 0.951 176.414 175.510 -0.077 0.000 1.043 249 N CA 1.734 54.618 53.050 -0.278 0.000 0.851 249 N CB -1.109 37.266 38.487 -0.188 0.000 1.018 249 N HN 0.533 8.913 8.380 -0.000 0.000 0.436 250 D N -0.717 119.698 120.400 0.024 0.000 2.323 250 D HA 0.022 4.668 4.640 0.009 0.000 0.209 250 D C 0.145 176.474 176.300 0.048 0.000 0.973 250 D CA 0.243 54.296 54.000 0.089 0.000 0.874 250 D CB -0.145 40.774 40.800 0.198 0.000 0.930 250 D HN 0.319 8.689 8.370 -0.000 0.000 0.521 251 K N -1.253 119.170 120.400 0.038 0.000 3.274 251 K HA -0.199 4.126 4.320 0.009 0.000 0.300 251 K C -0.125 176.474 176.600 -0.002 0.000 1.230 251 K CA 0.468 56.756 56.287 0.002 0.000 0.884 251 K CB -1.796 30.684 32.500 -0.034 0.000 1.242 251 K HN 0.434 8.684 8.250 -0.000 0.000 0.467 252 A N 0.786 123.630 122.820 0.040 0.000 2.302 252 A HA 0.517 4.843 4.320 0.009 0.000 0.285 252 A C -0.126 177.498 177.584 0.066 0.000 1.105 252 A CA -0.573 51.480 52.037 0.028 0.000 0.816 252 A CB 0.653 19.695 19.000 0.069 0.000 1.067 252 A HN 0.231 8.381 8.150 -0.000 0.000 0.489 253 L N 2.601 123.900 121.223 0.127 0.000 2.315 253 L HA 0.544 4.889 4.340 0.009 0.000 0.283 253 L C 0.546 177.528 176.870 0.186 0.000 1.089 253 L CA 1.143 56.087 54.840 0.173 0.000 0.833 253 L CB 0.380 42.649 42.059 0.350 0.000 1.170 253 L HN 0.949 9.179 8.230 -0.000 0.000 0.442 254 T N 1.933 116.565 114.554 0.131 0.000 2.843 254 T HA 0.755 5.111 4.350 0.009 0.000 0.302 254 T C -0.688 174.191 174.700 0.297 0.000 1.232 254 T CA -0.659 61.547 62.100 0.176 0.000 1.009 254 T CB 1.378 70.290 68.868 0.073 0.000 1.254 254 T HN 0.484 8.724 8.240 -0.000 0.000 0.504 255 F N -0.735 119.238 119.950 0.040 0.000 2.650 255 F HA 0.878 5.410 4.527 0.008 0.000 0.320 255 F C -2.289 173.479 175.800 -0.054 0.000 1.091 255 F CA -1.907 56.159 58.000 0.110 0.000 0.962 255 F CB 1.094 40.166 39.000 0.120 0.000 1.363 255 F HN 0.605 8.905 8.300 -0.000 0.000 0.482 256 Y N 0.709 120.949 120.300 -0.100 0.000 2.331 256 Y HA 0.721 5.276 4.550 0.009 0.000 0.334 256 Y C 0.346 176.130 175.900 -0.193 0.000 0.960 256 Y CA -1.137 56.804 58.100 -0.265 0.000 1.130 256 Y CB 1.971 40.321 38.460 -0.183 0.000 1.164 256 Y HN 1.014 9.294 8.280 -0.000 0.000 0.458 257 G N 0.864 109.540 108.800 -0.207 0.000 2.574 257 G HA2 0.667 4.632 3.960 0.009 0.000 0.299 257 G HA3 0.667 4.632 3.960 0.009 0.000 0.299 257 G C -1.239 173.700 174.900 0.064 0.000 1.298 257 G CA -1.041 44.035 45.100 -0.040 0.000 0.952 257 G HN 0.794 9.084 8.290 -0.000 0.000 0.477 258 A N 0.676 123.527 122.820 0.052 0.000 2.440 258 A HA 0.610 4.935 4.320 0.009 0.000 0.251 258 A C 1.070 178.570 177.584 -0.139 0.000 1.089 258 A CA 0.490 52.458 52.037 -0.114 0.000 0.779 258 A CB -0.069 18.875 19.000 -0.094 0.000 1.022 258 A HN 1.465 9.615 8.150 -0.000 0.000 0.492 259 T N 0.106 114.385 114.554 -0.458 0.000 2.881 259 T HA 0.503 4.859 4.350 0.009 0.000 0.278 259 T C -1.978 172.130 174.700 -0.987 0.000 0.982 259 T CA -1.576 59.834 62.100 -1.150 0.000 0.989 259 T CB 0.910 69.001 68.868 -1.294 0.000 1.058 259 T HN 0.298 8.538 8.240 -0.000 0.000 0.529 260 P HA -0.015 4.405 4.420 -0.000 0.000 0.223 260 P C 1.410 178.535 177.300 -0.292 0.000 1.144 260 P CA 0.718 63.389 63.100 -0.715 0.000 0.783 260 P CB 0.039 31.218 31.700 -0.869 0.000 0.771 261 S N -1.786 113.782 115.700 -0.221 0.000 2.558 261 S HA 0.236 4.711 4.470 0.009 0.000 0.217 261 S C 1.624 176.197 174.600 -0.046 0.000 0.975 261 S CA 0.828 59.033 58.200 0.007 0.000 0.912 261 S CB -0.896 62.414 63.200 0.184 0.000 0.776 261 S HN 0.263 8.573 8.310 -0.000 0.000 0.526 262 G N 0.764 109.482 108.800 -0.137 0.000 2.234 262 G HA2 -0.219 3.746 3.960 0.009 0.000 0.235 262 G HA3 -0.219 3.746 3.960 0.009 0.000 0.235 262 G C 0.189 175.250 174.900 0.269 0.000 0.997 262 G CA 0.084 45.243 45.100 0.098 0.000 0.623 262 G HN 0.639 8.929 8.290 -0.000 0.000 0.514 263 W N 0.520 121.957 121.300 0.228 0.000 2.166 263 W HA 0.771 5.436 4.660 0.008 0.000 0.364 263 W C -0.052 176.592 176.519 0.209 0.000 1.344 263 W CA -1.168 56.321 57.345 0.239 0.000 1.471 263 W CB 0.228 29.806 29.460 0.196 0.000 1.220 263 W HN 0.082 8.262 8.180 -0.000 0.000 0.666 264 L N 1.938 123.534 121.223 0.621 0.000 2.322 264 L HA 0.407 4.752 4.340 0.009 0.000 0.279 264 L C -0.237 176.924 176.870 0.485 0.000 1.036 264 L CA -1.114 53.944 54.840 0.363 0.000 0.807 264 L CB 1.390 43.644 42.059 0.325 0.000 1.226 264 L HN 0.293 8.523 8.230 -0.000 0.000 0.433 265 I N 2.013 122.726 120.570 0.238 0.000 2.437 265 I HA 0.212 4.388 4.170 0.009 0.000 0.298 265 I C -0.143 175.892 176.117 -0.137 0.000 0.984 265 I CA 0.170 61.587 61.300 0.195 0.000 1.214 265 I CB 1.521 39.675 38.000 0.256 0.000 1.365 265 I HN 0.628 8.838 8.210 -0.000 0.000 0.469 266 E N 8.530 128.593 120.200 -0.229 0.000 2.489 266 E HA 0.444 4.799 4.350 0.009 0.000 0.232 266 E C -2.605 173.729 176.600 -0.443 0.000 0.990 266 E CA -2.170 53.869 56.400 -0.602 0.000 0.768 266 E CB 0.880 30.096 29.700 -0.807 0.000 1.270 266 E HN 0.334 8.694 8.360 -0.000 0.000 0.423 267 P HA 0.241 4.661 4.420 -0.000 0.000 0.271 267 P C -0.350 176.910 177.300 -0.066 0.000 1.216 267 P CA -0.059 62.917 63.100 -0.207 0.000 0.776 267 P CB 1.469 33.138 31.700 -0.051 0.000 0.881 268 G N 0.818 109.669 108.800 0.085 0.000 2.727 268 G HA2 0.611 4.577 3.960 0.009 0.000 0.289 268 G HA3 0.611 4.577 3.960 0.009 0.000 0.289 268 G C -2.589 172.534 174.900 0.370 0.000 1.418 268 G CA -0.608 44.605 45.100 0.189 0.000 0.818 268 G HN 0.501 8.791 8.290 -0.000 0.000 0.486 269 W N 0.434 121.806 121.300 0.119 0.000 3.479 269 W HA 0.668 5.332 4.660 0.007 0.000 0.304 269 W C 0.276 176.841 176.519 0.076 0.000 1.243 269 W CA -0.784 56.632 57.345 0.118 0.000 1.202 269 W CB 1.199 30.737 29.460 0.131 0.000 1.346 269 W HN 0.869 9.049 8.180 -0.000 0.000 0.539 270 R N 3.233 123.218 120.500 -0.858 0.000 3.246 270 R HA -0.122 4.223 4.340 0.009 0.000 0.260 270 R C 0.017 176.087 176.300 -0.383 0.000 1.034 270 R CA 0.833 56.381 56.100 -0.919 0.000 0.691 270 R CB -1.424 28.004 30.300 -1.453 0.000 1.186 270 R HN 0.994 9.264 8.270 -0.000 0.000 0.416 271 G N 0.682 109.355 108.800 -0.212 0.000 2.442 271 G HA2 0.516 4.481 3.960 0.009 0.000 0.249 271 G HA3 0.516 4.481 3.960 0.009 0.000 0.249 271 G C 0.287 175.129 174.900 -0.096 0.000 1.263 271 G CA 0.176 45.220 45.100 -0.093 0.000 0.846 271 G HN 0.527 8.817 8.290 -0.000 0.000 0.555 272 A N 1.748 124.532 122.820 -0.059 0.000 2.304 272 A HA 0.675 5.000 4.320 0.009 0.000 0.271 272 A C 0.883 178.443 177.584 -0.040 0.000 1.091 272 A CA -0.301 51.703 52.037 -0.055 0.000 0.812 272 A CB 0.395 19.370 19.000 -0.042 0.000 1.056 272 A HN 0.683 8.833 8.150 -0.000 0.000 0.489 273 T N 1.797 116.324 114.554 -0.045 0.000 2.901 273 T HA 0.435 4.791 4.350 0.009 0.000 0.301 273 T C 0.751 175.410 174.700 -0.069 0.000 1.012 273 T CA 0.557 62.628 62.100 -0.047 0.000 1.135 273 T CB 0.608 69.450 68.868 -0.043 0.000 0.936 273 T HN 1.055 9.295 8.240 -0.000 0.000 0.539 274 A N 3.510 126.265 122.820 -0.109 0.000 2.483 274 A HA 0.488 4.813 4.320 0.009 0.000 0.238 274 A C 0.402 177.827 177.584 -0.264 0.000 1.070 274 A CA -0.397 51.491 52.037 -0.248 0.000 0.770 274 A CB -0.420 18.315 19.000 -0.443 0.000 1.008 274 A HN 0.905 9.055 8.150 -0.000 0.000 0.497 275 I N -1.515 118.894 120.570 -0.267 0.000 2.569 275 I HA 0.506 4.681 4.170 0.009 0.000 0.296 275 I C -0.535 175.534 176.117 -0.080 0.000 1.028 275 I CA -0.838 60.382 61.300 -0.135 0.000 1.082 275 I CB 2.086 40.064 38.000 -0.036 0.000 1.264 275 I HN 0.422 8.632 8.210 -0.000 0.000 0.429 276 D N 2.714 123.132 120.400 0.029 0.000 2.323 276 D HA -0.004 4.641 4.640 0.009 0.000 0.209 276 D C -0.055 176.320 176.300 0.124 0.000 0.973 276 D CA 1.091 55.185 54.000 0.156 0.000 0.874 276 D CB 0.203 41.083 40.800 0.134 0.000 0.930 276 D HN 0.614 8.984 8.370 -0.000 0.000 0.521 277 E N 0.666 120.909 120.200 0.072 0.000 2.180 277 E HA 0.411 4.766 4.350 0.009 0.000 0.283 277 E C -0.246 176.390 176.600 0.059 0.000 1.061 277 E CA -0.220 56.214 56.400 0.056 0.000 0.861 277 E CB 1.010 30.728 29.700 0.031 0.000 1.056 277 E HN 0.026 8.386 8.360 -0.000 0.000 0.407 278 A N 4.655 127.514 122.820 0.064 0.000 2.488 278 A HA 0.338 4.663 4.320 0.009 0.000 0.249 278 A C 0.231 177.823 177.584 0.012 0.000 1.083 278 A CA -0.207 51.866 52.037 0.060 0.000 0.768 278 A CB 0.103 19.143 19.000 0.066 0.000 1.017 278 A HN 0.699 8.849 8.150 -0.000 0.000 0.496 279 E N 1.168 121.345 120.200 -0.038 0.000 2.456 279 E HA 0.693 5.048 4.350 0.009 0.000 0.276 279 E C -1.457 174.973 176.600 -0.284 0.000 0.981 279 E CA -0.747 55.559 56.400 -0.156 0.000 0.814 279 E CB 1.343 30.885 29.700 -0.263 0.000 1.382 279 E HN 0.817 9.177 8.360 -0.000 0.000 0.459 280 Y N -1.154 118.783 120.300 -0.605 0.000 2.609 280 Y HA 0.731 5.286 4.550 0.009 0.000 0.342 280 Y C -1.808 173.531 175.900 -0.934 0.000 1.058 280 Y CA -1.187 56.492 58.100 -0.701 0.000 1.055 280 Y CB 1.284 39.575 38.460 -0.282 0.000 1.292 280 Y HN 0.563 8.843 8.280 -0.000 0.000 0.476 281 Y N 0.056 120.190 120.300 -0.276 0.000 2.576 281 Y HA 0.533 5.088 4.550 0.008 0.000 0.346 281 Y C 0.308 176.018 175.900 -0.317 0.000 1.018 281 Y CA -1.145 56.684 58.100 -0.452 0.000 1.050 281 Y CB 2.266 40.321 38.460 -0.675 0.000 1.280 281 Y HN 0.576 8.856 8.280 -0.000 0.000 0.474 282 V N -1.872 118.016 119.914 -0.042 0.000 3.276 282 V HA 0.872 4.997 4.120 0.009 0.000 0.319 282 V C 0.124 176.296 176.094 0.130 0.000 1.427 282 V CA 0.488 62.834 62.300 0.076 0.000 1.102 282 V CB 0.139 32.020 31.823 0.096 0.000 1.020 282 V HN 0.977 9.167 8.190 -0.000 0.000 0.456 283 G N -0.889 107.978 108.800 0.113 0.000 2.489 283 G HA2 0.458 4.424 3.960 0.009 0.000 0.291 283 G HA3 0.458 4.424 3.960 0.009 0.000 0.291 283 G C -2.075 172.976 174.900 0.251 0.000 1.487 283 G CA -0.582 44.661 45.100 0.238 0.000 0.795 283 G HN 0.060 8.350 8.290 -0.000 0.000 0.513 284 D N -0.623 119.956 120.400 0.298 0.000 2.377 284 D HA 0.350 4.995 4.640 0.009 0.000 0.245 284 D C 1.731 178.097 176.300 0.110 0.000 1.196 284 D CA -0.540 53.601 54.000 0.235 0.000 0.962 284 D CB 1.411 42.325 40.800 0.189 0.000 1.127 284 D HN 0.227 8.597 8.370 -0.000 0.000 0.471 285 I N -0.477 120.132 120.570 0.065 0.000 2.233 285 I HA -0.059 4.116 4.170 0.009 0.000 0.243 285 I C 0.723 176.955 176.117 0.192 0.000 1.093 285 I CA 0.978 62.334 61.300 0.094 0.000 1.380 285 I CB -0.008 38.047 38.000 0.092 0.000 1.067 285 I HN 0.341 8.551 8.210 -0.000 0.000 0.413 286 F N -0.756 119.170 119.950 -0.040 0.000 2.713 286 F HA 0.659 5.191 4.527 0.008 0.000 0.311 286 F C -0.007 175.730 175.800 -0.104 0.000 1.141 286 F CA -0.341 57.630 58.000 -0.049 0.000 0.939 286 F CB 0.367 39.335 39.000 -0.053 0.000 1.325 286 F HN 0.107 8.408 8.300 -0.000 0.000 0.453 287 G N 1.323 110.038 108.800 -0.142 0.000 2.539 287 G HA2 -0.202 3.763 3.960 0.009 0.000 0.256 287 G HA3 -0.202 3.763 3.960 0.009 0.000 0.256 287 G C -0.070 174.699 174.900 -0.218 0.000 1.233 287 G CA 0.692 45.606 45.100 -0.309 0.000 0.936 287 G HN 2.034 10.324 8.290 -0.000 0.000 0.571 288 H N -0.553 118.389 119.070 -0.214 0.000 2.741 288 H HA -0.110 4.451 4.556 0.009 0.000 0.305 288 H C 1.490 176.792 175.328 -0.043 0.000 1.169 288 H CA 0.834 56.813 56.048 -0.115 0.000 1.144 288 H CB -1.389 28.268 29.762 -0.174 0.000 1.397 288 H HN 1.561 9.841 8.280 -0.000 0.000 0.409 289 G N 0.260 109.114 108.800 0.090 0.000 2.491 289 G HA2 0.341 4.306 3.960 0.009 0.000 0.242 289 G HA3 0.341 4.306 3.960 0.009 0.000 0.242 289 G C 0.291 175.236 174.900 0.075 0.000 1.266 289 G CA -0.311 44.835 45.100 0.077 0.000 0.844 289 G HN 0.199 8.489 8.290 -0.000 0.000 0.571 290 V N 1.479 121.429 119.914 0.060 0.000 2.572 290 V HA 0.143 4.268 4.120 0.009 0.000 0.291 290 V C 0.949 177.085 176.094 0.071 0.000 1.039 290 V CA 0.419 62.754 62.300 0.058 0.000 1.055 290 V CB 1.134 32.988 31.823 0.051 0.000 0.969 290 V HN 1.079 9.269 8.190 -0.000 0.000 0.482 291 E N 3.934 124.184 120.200 0.084 0.000 2.694 291 E HA 0.459 4.814 4.350 0.009 0.000 0.224 291 E C 0.789 177.450 176.600 0.101 0.000 1.068 291 E CA 0.234 56.686 56.400 0.086 0.000 1.043 291 E CB 0.564 30.319 29.700 0.091 0.000 2.367 291 E HN 0.756 9.116 8.360 -0.000 0.000 0.565 292 A N 1.404 124.303 122.820 0.131 0.000 2.401 292 A HA 0.401 4.726 4.320 0.009 0.000 0.259 292 A C 0.188 177.917 177.584 0.241 0.000 1.103 292 A CA 0.146 52.298 52.037 0.192 0.000 0.789 292 A CB 0.249 19.406 19.000 0.262 0.000 1.035 292 A HN 0.436 8.586 8.150 -0.000 0.000 0.491 293 T N -1.163 113.504 114.554 0.190 0.000 2.938 293 T HA 0.714 5.069 4.350 0.009 0.000 0.285 293 T C 0.843 175.564 174.700 0.035 0.000 1.028 293 T CA 0.020 62.206 62.100 0.143 0.000 1.005 293 T CB 1.531 70.439 68.868 0.067 0.000 1.157 293 T HN 2.302 10.542 8.240 -0.000 0.000 0.550 294 G N -0.447 108.329 108.800 -0.040 0.000 2.163 294 G HA2 -0.201 3.764 3.960 0.009 0.000 0.213 294 G HA3 -0.201 3.764 3.960 0.009 0.000 0.213 294 G C 0.029 174.725 174.900 -0.339 0.000 0.991 294 G CA 0.025 44.994 45.100 -0.218 0.000 0.653 294 G HN 0.746 9.036 8.290 -0.000 0.000 0.518 295 Y N 0.232 120.562 120.300 0.051 0.000 2.636 295 Y HA 0.435 4.990 4.550 0.009 0.000 0.260 295 Y C 1.990 177.931 175.900 0.068 0.000 1.177 295 Y CA 0.147 58.291 58.100 0.075 0.000 1.209 295 Y CB 0.881 39.392 38.460 0.086 0.000 1.166 295 Y HN 0.918 9.198 8.280 -0.000 0.000 0.531 296 G N 0.637 109.518 108.800 0.135 0.000 2.184 296 G HA2 -0.287 3.678 3.960 0.009 0.000 0.264 296 G HA3 -0.287 3.678 3.960 0.009 0.000 0.264 296 G C 0.264 175.201 174.900 0.062 0.000 0.975 296 G CA 0.480 45.636 45.100 0.094 0.000 0.642 296 G HN 0.375 8.665 8.290 -0.000 0.000 0.536 297 L N 0.746 122.001 121.223 0.054 0.000 3.168 297 L HA 0.311 4.656 4.340 0.009 0.000 0.277 297 L C 0.225 177.084 176.870 -0.019 0.000 1.308 297 L CA -0.392 54.428 54.840 -0.033 0.000 0.976 297 L CB 0.853 42.816 42.059 -0.160 0.000 1.383 297 L HN 0.083 8.313 8.230 -0.000 0.000 0.572 298 D N 2.263 122.673 120.400 0.017 0.000 2.845 298 D HA 0.190 4.835 4.640 0.009 0.000 0.235 298 D C -0.174 176.137 176.300 0.018 0.000 1.158 298 D CA 0.083 54.098 54.000 0.025 0.000 0.990 298 D CB 0.170 40.990 40.800 0.035 0.000 1.094 298 D HN 0.113 8.483 8.370 -0.000 0.000 0.486 299 V N -1.104 118.813 119.914 0.005 0.000 2.769 299 V HA 0.512 4.637 4.120 0.009 0.000 0.312 299 V C -0.038 176.075 176.094 0.031 0.000 1.061 299 V CA -1.268 61.043 62.300 0.019 0.000 0.931 299 V CB 1.997 33.827 31.823 0.011 0.000 1.010 299 V HN 0.004 8.194 8.190 -0.000 0.000 0.433 300 K N 2.850 123.281 120.400 0.052 0.000 2.273 300 K HA 0.492 4.818 4.320 0.009 0.000 0.287 300 K C 0.056 176.712 176.600 0.093 0.000 1.089 300 K CA -0.372 55.955 56.287 0.066 0.000 0.909 300 K CB 0.675 33.214 32.500 0.065 0.000 1.123 300 K HN 0.864 9.114 8.250 -0.000 0.000 0.473 301 L N 2.293 123.577 121.223 0.101 0.000 2.554 301 L HA 0.072 4.417 4.340 0.009 0.000 0.225 301 L C 0.702 177.659 176.870 0.144 0.000 1.104 301 L CA -0.178 54.754 54.840 0.152 0.000 0.866 301 L CB 0.083 42.241 42.059 0.165 0.000 1.047 301 L HN 0.833 9.063 8.230 -0.000 0.000 0.468 302 S N 0.000 115.765 115.700 0.108 0.000 2.498 302 S HA 0.000 4.475 4.470 0.009 0.000 0.327 302 S CA 0.000 58.257 58.200 0.095 0.000 1.107 302 S CB 0.000 63.257 63.200 0.096 0.000 0.593 302 S HN 0.000 8.310 8.310 -0.000 0.000 0.517