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 3ejl_1_C DATA FIRST_RESID 26 DATA SEQUENCE PPHGELQYLG QIQHILRCGV RKDDRTGTGT LSVFGMQARY SLRDEFPLLT DATA SEQUENCE TKRVFWKGVL EELLWFIKGS TNAKELSSKG VKIWDANGSR DFLDSLGFST DATA SEQUENCE REEGDLGPVY GFQWRHFGAE YRDMESDYSG QGVDQLQRVI DTIKTNPDDR DATA SEQUENCE RIIMCAWNPR DLPLMALPPC HALCQFYVVN SELSCQLYQR SGDMGLGVPF DATA SEQUENCE NIASYALLTY MIAHITGLKP GDFIHTLGDA HIYLNHIEPL KIQLQREPRP DATA SEQUENCE FPKLRILRKV EKIDDFKAED FQIEGYNPHP TIK 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 26 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 26 P C 0.000 177.319 177.300 0.032 0.000 1.155 26 P CA 0.000 63.115 63.100 0.026 0.000 0.800 26 P CB 0.000 31.714 31.700 0.023 0.000 0.726 27 P HA -0.023 4.397 4.420 -0.000 0.000 0.263 27 P C 0.276 177.639 177.300 0.105 0.000 1.175 27 P CA 0.244 63.384 63.100 0.067 0.000 0.761 27 P CB 0.384 32.118 31.700 0.057 0.000 0.794 28 H N 1.329 120.409 119.070 0.018 0.000 3.115 28 H HA -0.046 4.510 4.556 -0.000 0.000 0.324 28 H C 1.661 177.030 175.328 0.068 0.000 1.007 28 H CA 1.317 57.364 56.048 -0.003 0.000 1.385 28 H CB 0.567 30.287 29.762 -0.071 0.000 1.351 28 H HN 0.650 8.930 8.280 -0.000 0.000 0.592 29 G N 3.464 112.539 108.800 0.458 0.000 2.572 29 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 29 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 29 G C 1.440 176.771 174.900 0.718 0.000 1.133 29 G CA 0.463 45.930 45.100 0.612 0.000 0.791 29 G HN 0.716 9.006 8.290 -0.000 0.000 0.538 30 E N 0.142 120.679 120.200 0.562 0.000 2.204 30 E HA -0.035 4.315 4.350 -0.001 0.000 0.195 30 E C 2.372 179.150 176.600 0.296 0.000 0.990 30 E CA 0.286 56.887 56.400 0.334 0.000 0.821 30 E CB -0.180 29.410 29.700 -0.184 0.000 0.750 30 E HN 0.447 8.807 8.360 -0.000 0.000 0.477 31 L N 0.633 121.973 121.223 0.195 0.000 2.129 31 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 31 L C 2.550 179.516 176.870 0.160 0.000 1.087 31 L CA 0.975 55.895 54.840 0.134 0.000 0.757 31 L CB -0.704 41.414 42.059 0.099 0.000 0.896 31 L HN 0.253 8.483 8.230 -0.000 0.000 0.434 32 Q N -0.454 119.477 119.800 0.217 0.000 2.030 32 Q HA -0.260 4.079 4.340 -0.001 0.000 0.204 32 Q C 2.123 178.270 176.000 0.246 0.000 0.986 32 Q CA 2.168 58.056 55.803 0.143 0.000 0.843 32 Q CB -0.651 28.071 28.738 -0.026 0.000 0.904 32 Q HN 0.587 8.857 8.270 -0.000 0.000 0.420 33 Y N 1.097 121.564 120.300 0.278 0.000 2.163 33 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 33 Y C 2.172 178.151 175.900 0.132 0.000 1.136 33 Y CA 1.204 59.445 58.100 0.235 0.000 1.147 33 Y CB -0.329 38.295 38.460 0.274 0.000 0.987 33 Y HN -0.009 8.271 8.280 -0.000 0.000 0.509 34 L N 0.008 121.350 121.223 0.199 0.000 2.127 34 L HA -0.219 4.121 4.340 -0.001 0.000 0.211 34 L C 2.591 179.433 176.870 -0.048 0.000 1.089 34 L CA 1.304 56.148 54.840 0.007 0.000 0.757 34 L CB -1.247 40.856 42.059 0.073 0.000 0.899 34 L HN 0.509 8.739 8.230 -0.000 0.000 0.434 35 G N -0.724 108.078 108.800 0.004 0.000 2.404 35 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.214 35 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.214 35 G C 1.434 176.322 174.900 -0.021 0.000 1.189 35 G CA 0.220 45.316 45.100 -0.006 0.000 0.789 35 G HN 0.378 8.668 8.290 -0.000 0.000 0.533 36 Q N -0.136 119.641 119.800 -0.038 0.000 2.152 36 Q HA -0.125 4.215 4.340 -0.001 0.000 0.206 36 Q C 2.580 178.541 176.000 -0.066 0.000 0.985 36 Q CA 1.042 56.824 55.803 -0.034 0.000 0.863 36 Q CB -0.246 28.466 28.738 -0.044 0.000 0.904 36 Q HN 0.393 8.663 8.270 -0.000 0.000 0.422 37 I N 1.142 121.599 120.570 -0.189 0.000 2.127 37 I HA -0.276 3.894 4.170 -0.001 0.000 0.241 37 I C 2.382 178.447 176.117 -0.086 0.000 1.075 37 I CA 1.590 62.773 61.300 -0.194 0.000 1.334 37 I CB -1.367 36.462 38.000 -0.286 0.000 1.040 37 I HN 0.352 8.562 8.210 -0.000 0.000 0.405 38 Q N -0.385 119.384 119.800 -0.052 0.000 2.096 38 Q HA -0.272 4.068 4.340 -0.001 0.000 0.204 38 Q C 2.272 178.279 176.000 0.011 0.000 0.982 38 Q CA 1.954 57.747 55.803 -0.017 0.000 0.850 38 Q CB -0.610 28.128 28.738 -0.000 0.000 0.901 38 Q HN 0.607 8.877 8.270 -0.000 0.000 0.422 39 H N 0.882 119.918 119.070 -0.057 0.000 2.326 39 H HA -0.046 4.510 4.556 -0.001 0.000 0.301 39 H C 1.905 177.209 175.328 -0.040 0.000 1.081 39 H CA 1.587 57.608 56.048 -0.045 0.000 1.334 39 H CB -0.208 29.525 29.762 -0.048 0.000 1.385 39 H HN 0.129 8.409 8.280 -0.000 0.000 0.504 40 I N -0.013 120.498 120.570 -0.098 0.000 2.454 40 I HA -0.242 3.928 4.170 -0.001 0.000 0.254 40 I C 2.230 178.263 176.117 -0.140 0.000 1.156 40 I CA 0.737 61.950 61.300 -0.144 0.000 1.433 40 I CB -0.229 37.734 38.000 -0.061 0.000 1.082 40 I HN 0.270 8.480 8.210 -0.000 0.000 0.432 41 L N 0.158 121.319 121.223 -0.104 0.000 1.993 41 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 41 L C 2.687 179.503 176.870 -0.090 0.000 1.074 41 L CA 1.339 56.133 54.840 -0.076 0.000 0.746 41 L CB -0.499 41.530 42.059 -0.050 0.000 0.896 41 L HN 0.128 8.358 8.230 -0.000 0.000 0.435 42 R N -0.938 119.506 120.500 -0.093 0.000 2.328 42 R HA -0.089 4.251 4.340 -0.001 0.000 0.207 42 R C 0.553 176.778 176.300 -0.125 0.000 1.056 42 R CA 0.716 56.768 56.100 -0.081 0.000 1.016 42 R CB 0.025 30.300 30.300 -0.041 0.000 0.872 42 R HN 0.453 8.723 8.270 -0.000 0.000 0.471 43 C N -1.470 117.696 119.300 -0.223 0.000 3.774 43 C HA 0.295 4.755 4.460 -0.001 0.000 0.290 43 C C 0.553 175.412 174.990 -0.218 0.000 2.291 43 C CA -0.873 57.998 59.018 -0.245 0.000 1.609 43 C CB 0.423 27.942 27.740 -0.369 0.000 3.321 43 C HN 0.397 8.627 8.230 -0.000 0.000 0.449 44 G N 1.374 110.075 108.800 -0.164 0.000 2.372 44 G HA2 0.519 4.478 3.960 -0.001 0.000 0.283 44 G HA3 0.519 4.478 3.960 -0.001 0.000 0.283 44 G C -0.090 174.774 174.900 -0.060 0.000 1.177 44 G CA 0.125 45.165 45.100 -0.101 0.000 0.842 44 G HN 0.607 8.897 8.290 -0.000 0.000 0.503 45 V N 0.999 120.888 119.914 -0.042 0.000 2.644 45 V HA 0.590 4.710 4.120 -0.001 0.000 0.295 45 V C 0.726 176.803 176.094 -0.028 0.000 1.053 45 V CA -1.528 60.753 62.300 -0.032 0.000 0.987 45 V CB 1.405 33.212 31.823 -0.027 0.000 1.006 45 V HN 0.786 8.976 8.190 -0.000 0.000 0.472 46 R N 2.815 123.300 120.500 -0.024 0.000 2.522 46 R HA 0.245 4.584 4.340 -0.001 0.000 0.284 46 R C -0.470 175.813 176.300 -0.029 0.000 1.032 46 R CA 0.132 56.221 56.100 -0.020 0.000 1.049 46 R CB 0.315 30.607 30.300 -0.014 0.000 0.956 46 R HN 1.003 9.273 8.270 -0.000 0.000 0.422 47 K N 2.656 123.035 120.400 -0.034 0.000 2.469 47 K HA 0.254 4.574 4.320 -0.001 0.000 0.254 47 K C -1.488 175.086 176.600 -0.043 0.000 0.939 47 K CA -0.724 55.530 56.287 -0.056 0.000 0.812 47 K CB 1.739 34.181 32.500 -0.096 0.000 1.301 47 K HN 0.484 8.734 8.250 -0.000 0.000 0.433 48 D N 2.154 122.529 120.400 -0.041 0.000 2.192 48 D HA 0.105 4.745 4.640 -0.001 0.000 0.246 48 D C -0.818 175.469 176.300 -0.021 0.000 1.042 48 D CA -0.222 53.769 54.000 -0.015 0.000 0.847 48 D CB 1.614 42.408 40.800 -0.011 0.000 1.186 48 D HN 0.672 9.042 8.370 -0.000 0.000 0.461 49 D N 1.178 121.593 120.400 0.025 0.000 2.506 49 D HA 0.126 4.765 4.640 -0.001 0.000 0.272 49 D C 1.153 177.472 176.300 0.032 0.000 1.214 49 D CA -0.380 53.640 54.000 0.033 0.000 1.067 49 D CB 1.165 42.052 40.800 0.146 0.000 1.117 49 D HN 0.178 8.548 8.370 -0.000 0.000 0.578 50 R N -0.858 119.668 120.500 0.044 0.000 2.134 50 R HA -0.140 4.200 4.340 -0.001 0.000 0.248 50 R C 1.643 177.952 176.300 0.015 0.000 1.143 50 R CA 2.179 58.299 56.100 0.032 0.000 0.957 50 R CB -1.288 29.044 30.300 0.053 0.000 0.867 50 R HN 0.704 8.974 8.270 -0.000 0.000 0.441 51 T N -1.657 112.908 114.554 0.018 0.000 3.393 51 T HA 0.288 4.638 4.350 -0.001 0.000 0.248 51 T C 0.987 175.680 174.700 -0.011 0.000 0.992 51 T CA 0.265 62.361 62.100 -0.007 0.000 0.929 51 T CB 0.231 69.088 68.868 -0.019 0.000 1.065 51 T HN 0.477 8.717 8.240 -0.000 0.000 0.597 52 G N 1.494 110.293 108.800 -0.002 0.000 2.341 52 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.292 52 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.292 52 G C 0.104 175.003 174.900 -0.002 0.000 1.021 52 G CA 0.428 45.525 45.100 -0.004 0.000 0.905 52 G HN 0.668 8.958 8.290 -0.000 0.000 0.508 53 T N -0.405 114.158 114.554 0.015 0.000 2.934 53 T HA 0.658 5.008 4.350 -0.001 0.000 0.283 53 T C 0.850 175.593 174.700 0.072 0.000 1.005 53 T CA 0.185 62.296 62.100 0.019 0.000 1.041 53 T CB 1.959 70.810 68.868 -0.029 0.000 1.042 53 T HN 0.935 9.175 8.240 -0.000 0.000 0.505 54 G N 0.915 109.759 108.800 0.073 0.000 2.348 54 G HA2 0.581 4.541 3.960 -0.001 0.000 0.312 54 G HA3 0.581 4.541 3.960 -0.001 0.000 0.312 54 G C -0.236 174.752 174.900 0.148 0.000 1.126 54 G CA -0.484 44.664 45.100 0.081 0.000 0.865 54 G HN 0.870 9.160 8.290 -0.000 0.000 0.474 55 T N -0.870 113.735 114.554 0.085 0.000 2.841 55 T HA 0.632 4.982 4.350 -0.001 0.000 0.296 55 T C -1.254 173.455 174.700 0.016 0.000 1.166 55 T CA -0.880 61.256 62.100 0.061 0.000 1.007 55 T CB 1.693 70.552 68.868 -0.016 0.000 1.253 55 T HN 0.226 8.466 8.240 -0.000 0.000 0.511 56 L N 1.948 123.181 121.223 0.016 0.000 2.282 56 L HA 0.778 5.118 4.340 -0.001 0.000 0.288 56 L C 0.208 177.091 176.870 0.021 0.000 1.033 56 L CA -0.016 54.825 54.840 0.001 0.000 0.807 56 L CB 1.225 43.277 42.059 -0.011 0.000 1.209 56 L HN 0.945 9.175 8.230 -0.000 0.000 0.423 57 S N 1.972 117.675 115.700 0.005 0.000 2.549 57 S HA 0.919 5.388 4.470 -0.001 0.000 0.280 57 S C -1.037 173.579 174.600 0.027 0.000 1.109 57 S CA -0.412 57.810 58.200 0.035 0.000 0.905 57 S CB 1.796 64.993 63.200 -0.005 0.000 1.081 57 S HN 0.236 8.546 8.310 -0.000 0.000 0.477 58 V N 3.071 123.030 119.914 0.074 0.000 3.040 58 V HA 0.605 4.725 4.120 -0.001 0.000 0.312 58 V C -1.250 174.970 176.094 0.210 0.000 1.115 58 V CA -0.842 61.522 62.300 0.106 0.000 0.998 58 V CB 2.005 33.886 31.823 0.096 0.000 1.042 58 V HN 0.880 9.070 8.190 -0.000 0.000 0.433 59 F N 2.035 121.991 119.950 0.010 0.000 2.427 59 F HA 0.700 5.226 4.527 -0.000 0.000 0.348 59 F C 0.465 176.259 175.800 -0.011 0.000 1.125 59 F CA 0.289 58.287 58.000 -0.004 0.000 0.989 59 F CB 1.375 40.374 39.000 -0.002 0.000 1.165 59 F HN 0.883 9.183 8.300 -0.000 0.000 0.442 60 G N 7.205 115.774 108.800 -0.385 0.000 3.269 60 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.668 60 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.668 60 G C -1.279 173.485 174.900 -0.226 0.000 1.100 60 G CA -0.412 44.442 45.100 -0.409 0.000 0.940 60 G HN 0.701 8.991 8.290 -0.000 0.000 0.438 61 M N 0.807 120.264 119.600 -0.238 0.000 2.779 61 M HA 0.747 5.227 4.480 -0.001 0.000 0.277 61 M C -0.328 175.830 176.300 -0.237 0.000 1.284 61 M CA -0.903 54.276 55.300 -0.203 0.000 0.801 61 M CB 2.751 35.255 32.600 -0.161 0.000 1.712 61 M HN 0.512 8.802 8.290 -0.000 0.000 0.453 62 Q N 0.844 120.517 119.800 -0.212 0.000 2.548 62 Q HA 0.526 4.866 4.340 -0.001 0.000 0.232 62 Q C -2.238 173.642 176.000 -0.201 0.000 0.838 62 Q CA -0.267 55.406 55.803 -0.216 0.000 1.032 62 Q CB 2.040 30.660 28.738 -0.196 0.000 1.548 62 Q HN 0.852 9.122 8.270 -0.000 0.000 0.479 63 A N 3.916 126.616 122.820 -0.201 0.000 2.287 63 A HA 0.665 4.984 4.320 -0.001 0.000 0.317 63 A C -0.706 176.570 177.584 -0.513 0.000 1.220 63 A CA -0.602 51.246 52.037 -0.315 0.000 0.835 63 A CB 1.043 19.905 19.000 -0.230 0.000 1.180 63 A HN 0.692 8.842 8.150 -0.000 0.000 0.500 64 R N 2.128 122.326 120.500 -0.504 0.000 2.410 64 R HA 0.512 4.851 4.340 -0.001 0.000 0.288 64 R C -1.722 174.231 176.300 -0.579 0.000 1.051 64 R CA -0.050 55.797 56.100 -0.422 0.000 1.021 64 R CB 0.497 30.650 30.300 -0.245 0.000 1.032 64 R HN 0.647 8.917 8.270 -0.000 0.000 0.481 65 Y N 1.126 121.425 120.300 -0.001 0.000 2.346 65 Y HA 0.165 4.715 4.550 -0.001 0.000 0.332 65 Y C -0.033 175.903 175.900 0.059 0.000 0.985 65 Y CA -0.652 57.486 58.100 0.065 0.000 1.112 65 Y CB 2.304 40.821 38.460 0.096 0.000 1.170 65 Y HN 0.582 8.862 8.280 -0.000 0.000 0.447 66 S N 4.267 120.089 115.700 0.203 0.000 2.430 66 S HA 0.247 4.716 4.470 -0.001 0.000 0.282 66 S C 0.472 175.145 174.600 0.121 0.000 1.186 66 S CA -0.455 57.827 58.200 0.136 0.000 1.060 66 S CB -0.049 63.220 63.200 0.115 0.000 0.966 66 S HN 0.734 9.044 8.310 -0.000 0.000 0.501 67 L N 4.431 125.719 121.223 0.108 0.000 2.591 67 L HA 0.272 4.612 4.340 -0.001 0.000 0.228 67 L C 1.183 178.136 176.870 0.139 0.000 1.133 67 L CA -0.037 54.881 54.840 0.130 0.000 0.880 67 L CB -0.347 41.779 42.059 0.112 0.000 1.033 67 L HN 0.509 8.739 8.230 -0.000 0.000 0.450 68 R N 2.207 122.762 120.500 0.091 0.000 2.507 68 R HA -0.002 4.338 4.340 -0.001 0.000 0.341 68 R C 0.227 176.602 176.300 0.124 0.000 0.960 68 R CA 0.540 56.688 56.100 0.081 0.000 1.032 68 R CB -0.510 29.828 30.300 0.063 0.000 0.933 68 R HN 0.362 8.632 8.270 -0.000 0.000 0.418 69 D N 0.749 121.245 120.400 0.159 0.000 2.737 69 D HA -0.266 4.374 4.640 -0.001 0.000 0.233 69 D C -1.188 175.218 176.300 0.177 0.000 1.155 69 D CA 1.270 55.372 54.000 0.171 0.000 0.667 69 D CB -1.005 39.862 40.800 0.110 0.000 1.060 69 D HN 0.707 9.077 8.370 -0.000 0.000 0.427 70 E N -1.146 119.190 120.200 0.227 0.000 2.347 70 E HA 0.403 4.752 4.350 -0.001 0.000 0.285 70 E C -1.460 175.250 176.600 0.184 0.000 0.925 70 E CA -0.817 55.706 56.400 0.204 0.000 0.779 70 E CB 1.090 30.912 29.700 0.204 0.000 1.233 70 E HN 0.205 8.565 8.360 -0.000 0.000 0.414 71 F N 5.065 124.978 119.950 -0.061 0.000 2.388 71 F HA 0.384 4.911 4.527 -0.000 0.000 0.358 71 F C -1.903 173.621 175.800 -0.461 0.000 1.122 71 F CA -2.532 55.313 58.000 -0.258 0.000 1.056 71 F CB 1.296 40.036 39.000 -0.432 0.000 1.155 71 F HN 0.212 8.512 8.300 -0.000 0.000 0.461 72 P HA -0.091 4.329 4.420 -0.000 0.000 0.229 72 P C -0.646 175.992 177.300 -1.103 0.000 1.597 72 P CA 0.305 62.313 63.100 -1.821 0.000 1.030 72 P CB -0.094 30.820 31.700 -1.311 0.000 1.897 73 L N 3.001 123.971 121.223 -0.422 0.000 2.283 73 L HA 0.238 4.578 4.340 -0.001 0.000 0.281 73 L C 0.463 177.607 176.870 0.456 0.000 1.033 73 L CA -0.766 54.087 54.840 0.022 0.000 0.848 73 L CB 0.500 42.567 42.059 0.013 0.000 1.226 73 L HN 0.085 8.315 8.230 -0.000 0.000 0.429 74 L N 3.435 124.842 121.223 0.308 0.000 2.653 74 L HA -0.074 4.266 4.340 -0.001 0.000 0.288 74 L C 1.473 178.524 176.870 0.302 0.000 1.243 74 L CA 0.778 55.802 54.840 0.308 0.000 0.906 74 L CB 0.046 42.120 42.059 0.025 0.000 1.154 74 L HN 0.767 8.997 8.230 -0.000 0.000 0.498 75 T N -3.656 110.998 114.554 0.167 0.000 3.039 75 T HA -0.087 4.262 4.350 -0.001 0.000 0.250 75 T C 1.695 176.472 174.700 0.128 0.000 1.052 75 T CA 0.532 62.650 62.100 0.030 0.000 1.125 75 T CB -0.259 68.569 68.868 -0.067 0.000 0.908 75 T HN 0.746 8.986 8.240 -0.000 0.000 0.473 76 T N -0.197 114.473 114.554 0.194 0.000 2.869 76 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 76 T C 0.601 175.410 174.700 0.182 0.000 1.082 76 T CA 1.254 63.495 62.100 0.234 0.000 1.123 76 T CB -0.412 68.509 68.868 0.088 0.000 0.856 76 T HN 0.609 8.849 8.240 -0.000 0.000 0.499 77 K N 0.234 120.725 120.400 0.151 0.000 2.587 77 K HA 0.385 4.704 4.320 -0.001 0.000 0.256 77 K C -0.734 175.954 176.600 0.145 0.000 0.974 77 K CA -0.661 55.703 56.287 0.128 0.000 0.855 77 K CB 1.533 34.098 32.500 0.108 0.000 1.292 77 K HN 0.118 8.368 8.250 -0.000 0.000 0.444 78 R N 2.546 123.134 120.500 0.146 0.000 2.678 78 R HA 0.108 4.447 4.340 -0.001 0.000 0.264 78 R C -0.579 175.887 176.300 0.277 0.000 0.995 78 R CA 0.197 56.445 56.100 0.247 0.000 1.098 78 R CB 0.323 30.749 30.300 0.210 0.000 0.949 78 R HN 0.418 8.688 8.270 -0.000 0.000 0.422 79 V N 3.755 123.891 119.914 0.370 0.000 3.177 79 V HA 0.301 4.420 4.120 -0.001 0.000 0.319 79 V C -0.266 176.072 176.094 0.406 0.000 1.125 79 V CA -0.728 61.760 62.300 0.312 0.000 1.029 79 V CB 1.418 33.370 31.823 0.214 0.000 1.119 79 V HN 0.633 8.823 8.190 -0.000 0.000 0.452 80 F N 2.272 122.368 119.950 0.243 0.000 2.508 80 F HA 0.263 4.790 4.527 -0.000 0.000 0.329 80 F C 0.932 176.826 175.800 0.157 0.000 1.198 80 F CA -1.697 56.442 58.000 0.232 0.000 1.268 80 F CB -0.229 38.959 39.000 0.314 0.000 1.584 80 F HN 0.761 9.061 8.300 -0.000 0.000 0.570 81 W N 3.274 124.516 121.300 -0.097 0.000 2.285 81 W HA -0.352 4.308 4.660 -0.001 0.000 0.333 81 W C 1.691 177.933 176.519 -0.463 0.000 1.290 81 W CA 1.606 58.758 57.345 -0.321 0.000 1.234 81 W CB -0.031 29.238 29.460 -0.318 0.000 1.154 81 W HN 0.158 8.338 8.180 -0.000 0.000 0.463 82 K N 0.159 120.185 120.400 -0.622 0.000 2.189 82 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 82 K C 2.061 178.071 176.600 -0.983 0.000 1.046 82 K CA 1.995 57.781 56.287 -0.835 0.000 0.928 82 K CB -1.124 31.035 32.500 -0.568 0.000 0.720 82 K HN 0.445 8.695 8.250 -0.000 0.000 0.458 83 G N -0.091 107.920 108.800 -1.314 0.000 2.430 83 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.216 83 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.216 83 G C 1.635 176.378 174.900 -0.262 0.000 1.146 83 G CA 0.441 45.108 45.100 -0.722 0.000 0.793 83 G HN 0.126 8.416 8.290 -0.000 0.000 0.537 84 V N 1.081 120.664 119.914 -0.552 0.000 2.239 84 V HA -0.082 4.037 4.120 -0.001 0.000 0.242 84 V C 2.579 178.240 176.094 -0.720 0.000 1.038 84 V CA 1.502 63.340 62.300 -0.770 0.000 1.002 84 V CB -0.781 30.535 31.823 -0.845 0.000 0.641 84 V HN 0.352 8.542 8.190 -0.000 0.000 0.449 85 L N 0.659 121.230 121.223 -1.087 0.000 1.997 85 L HA -0.258 4.082 4.340 -0.001 0.000 0.216 85 L C 2.358 178.784 176.870 -0.740 0.000 1.074 85 L CA 2.618 56.756 54.840 -1.170 0.000 0.763 85 L CB -0.912 40.083 42.059 -1.773 0.000 0.890 85 L HN 0.405 8.635 8.230 -0.000 0.000 0.434 86 E N -0.353 119.468 120.200 -0.633 0.000 2.085 86 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 86 E C 2.235 178.626 176.600 -0.348 0.000 0.994 86 E CA 1.657 57.806 56.400 -0.418 0.000 0.801 86 E CB -0.283 29.192 29.700 -0.376 0.000 0.743 86 E HN 0.714 9.074 8.360 -0.000 0.000 0.453 87 E N -0.381 119.587 120.200 -0.387 0.000 2.150 87 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 87 E C 1.999 178.113 176.600 -0.811 0.000 0.985 87 E CA 0.802 56.938 56.400 -0.440 0.000 0.814 87 E CB -0.076 29.458 29.700 -0.276 0.000 0.752 87 E HN 0.249 8.609 8.360 -0.000 0.000 0.466 88 L N 1.026 121.879 121.223 -0.618 0.000 2.046 88 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 88 L C 2.137 178.859 176.870 -0.246 0.000 1.077 88 L CA 1.521 56.097 54.840 -0.441 0.000 0.747 88 L CB -0.487 41.377 42.059 -0.326 0.000 0.896 88 L HN 0.207 8.437 8.230 -0.000 0.000 0.432 89 L N -2.169 118.907 121.223 -0.244 0.000 2.201 89 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 89 L C 2.262 179.118 176.870 -0.024 0.000 1.105 89 L CA 1.015 55.800 54.840 -0.091 0.000 0.775 89 L CB -0.658 41.346 42.059 -0.092 0.000 0.913 89 L HN 0.497 8.727 8.230 -0.000 0.000 0.440 90 W N 0.245 121.343 121.300 -0.337 0.000 2.465 90 W HA -0.166 4.493 4.660 -0.001 0.000 0.268 90 W C 1.852 178.261 176.519 -0.183 0.000 1.242 90 W CA 0.959 58.123 57.345 -0.302 0.000 1.248 90 W CB -0.095 29.097 29.460 -0.445 0.000 1.118 90 W HN 0.034 8.214 8.180 -0.000 0.000 0.587 91 F N -0.326 119.493 119.950 -0.219 0.000 2.416 91 F HA -0.062 4.465 4.527 -0.001 0.000 0.296 91 F C 2.208 177.960 175.800 -0.081 0.000 1.099 91 F CA 0.281 58.039 58.000 -0.403 0.000 1.427 91 F CB -1.222 37.413 39.000 -0.609 0.000 1.079 91 F HN -0.208 8.092 8.300 -0.000 0.000 0.536 92 I N 0.604 121.295 120.570 0.202 0.000 2.163 92 I HA -0.268 3.901 4.170 -0.001 0.000 0.240 92 I C 2.461 178.630 176.117 0.085 0.000 1.081 92 I CA 1.364 62.773 61.300 0.181 0.000 1.353 92 I CB -1.062 37.026 38.000 0.148 0.000 1.054 92 I HN 0.148 8.358 8.210 -0.000 0.000 0.407 93 K N 1.060 121.480 120.400 0.033 0.000 2.280 93 K HA -0.150 4.170 4.320 -0.001 0.000 0.202 93 K C 1.381 177.958 176.600 -0.039 0.000 1.047 93 K CA 1.243 57.539 56.287 0.016 0.000 0.942 93 K CB -0.163 32.358 32.500 0.034 0.000 0.739 93 K HN 0.456 8.706 8.250 -0.000 0.000 0.457 94 G N 0.940 109.660 108.800 -0.132 0.000 2.155 94 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.257 94 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.257 94 G C 0.023 174.777 174.900 -0.243 0.000 0.983 94 G CA 0.669 45.661 45.100 -0.181 0.000 0.676 94 G HN 0.475 8.765 8.290 -0.000 0.000 0.528 95 S N -0.038 115.429 115.700 -0.387 0.000 2.549 95 S HA 0.525 4.995 4.470 -0.001 0.000 0.279 95 S C 1.313 175.664 174.600 -0.415 0.000 1.321 95 S CA 1.100 59.156 58.200 -0.240 0.000 1.054 95 S CB 0.892 64.135 63.200 0.071 0.000 0.899 95 S HN 1.353 9.663 8.310 -0.000 0.000 0.497 96 T N 1.732 116.271 114.554 -0.024 0.000 3.308 96 T HA 0.297 4.647 4.350 -0.001 0.000 0.270 96 T C -0.363 174.485 174.700 0.248 0.000 0.992 96 T CA -0.753 61.359 62.100 0.020 0.000 0.931 96 T CB -0.745 68.071 68.868 -0.087 0.000 1.142 96 T HN 0.536 8.776 8.240 -0.000 0.000 0.525 97 N N 0.674 119.618 118.700 0.407 0.000 2.626 97 N HA 0.600 5.339 4.740 -0.001 0.000 0.242 97 N C 1.323 176.958 175.510 0.208 0.000 1.005 97 N CA -0.047 53.167 53.050 0.274 0.000 0.905 97 N CB 1.202 39.812 38.487 0.205 0.000 1.128 97 N HN 0.181 8.561 8.380 -0.000 0.000 0.512 98 A N 3.831 126.730 122.820 0.131 0.000 1.985 98 A HA -0.273 4.046 4.320 -0.001 0.000 0.223 98 A C 1.946 179.465 177.584 -0.108 0.000 1.189 98 A CA 1.531 53.550 52.037 -0.031 0.000 0.658 98 A CB -0.381 18.657 19.000 0.063 0.000 0.820 98 A HN 0.652 8.802 8.150 -0.000 0.000 0.464 99 K N -0.738 119.649 120.400 -0.023 0.000 2.103 99 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 99 K C 1.891 178.457 176.600 -0.057 0.000 1.052 99 K CA 1.413 57.680 56.287 -0.033 0.000 0.945 99 K CB -0.429 32.076 32.500 0.009 0.000 0.722 99 K HN 0.617 8.867 8.250 -0.000 0.000 0.443 100 E N 1.597 121.791 120.200 -0.010 0.000 2.070 100 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 100 E C 1.918 178.448 176.600 -0.115 0.000 1.004 100 E CA 1.051 57.461 56.400 0.017 0.000 0.805 100 E CB -0.314 29.490 29.700 0.173 0.000 0.744 100 E HN 0.164 8.524 8.360 -0.000 0.000 0.451 101 L N 0.450 121.440 121.223 -0.388 0.000 2.005 101 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 101 L C 2.327 178.974 176.870 -0.371 0.000 1.072 101 L CA 2.413 56.845 54.840 -0.680 0.000 0.744 101 L CB -1.051 40.061 42.059 -1.579 0.000 0.895 101 L HN 0.273 8.503 8.230 -0.000 0.000 0.433 102 S N -1.253 114.274 115.700 -0.288 0.000 2.462 102 S HA -0.201 4.269 4.470 -0.001 0.000 0.243 102 S C 1.835 176.372 174.600 -0.105 0.000 1.003 102 S CA 1.272 59.378 58.200 -0.156 0.000 0.970 102 S CB -1.205 61.934 63.200 -0.102 0.000 0.762 102 S HN 0.577 8.887 8.310 -0.000 0.000 0.510 103 S N 2.419 118.057 115.700 -0.103 0.000 2.488 103 S HA -0.047 4.422 4.470 -0.001 0.000 0.246 103 S C 1.471 176.034 174.600 -0.060 0.000 0.992 103 S CA 1.186 59.348 58.200 -0.063 0.000 0.963 103 S CB -0.245 62.926 63.200 -0.047 0.000 0.754 103 S HN 0.789 9.099 8.310 -0.000 0.000 0.519 104 K N -0.659 119.690 120.400 -0.085 0.000 2.477 104 K HA 0.440 4.760 4.320 -0.001 0.000 0.208 104 K C 1.153 177.715 176.600 -0.063 0.000 1.117 104 K CA 0.726 56.966 56.287 -0.078 0.000 1.039 104 K CB 0.747 33.181 32.500 -0.110 0.000 0.937 104 K HN 0.364 8.614 8.250 -0.000 0.000 0.570 105 G N 1.204 109.977 108.800 -0.045 0.000 2.905 105 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.196 105 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.196 105 G C 0.077 175.013 174.900 0.060 0.000 1.044 105 G CA -0.200 44.913 45.100 0.022 0.000 0.778 105 G HN 0.036 8.326 8.290 -0.000 0.000 0.474 106 V N 2.550 122.451 119.914 -0.021 0.000 2.304 106 V HA 0.260 4.379 4.120 -0.001 0.000 0.239 106 V C 1.391 177.472 176.094 -0.022 0.000 1.201 106 V CA 0.405 62.710 62.300 0.008 0.000 1.254 106 V CB 0.317 32.068 31.823 -0.120 0.000 1.335 106 V HN 0.235 8.425 8.190 -0.000 0.000 0.491 107 K N 2.788 123.202 120.400 0.024 0.000 2.426 107 K HA 0.132 4.451 4.320 -0.001 0.000 0.193 107 K C 1.837 178.425 176.600 -0.019 0.000 1.028 107 K CA 0.593 56.871 56.287 -0.015 0.000 1.047 107 K CB -0.125 32.369 32.500 -0.010 0.000 0.821 107 K HN 0.852 9.102 8.250 -0.000 0.000 0.513 108 I N -2.572 117.992 120.570 -0.010 0.000 2.290 108 I HA -0.246 3.924 4.170 -0.001 0.000 0.253 108 I C 1.182 177.212 176.117 -0.144 0.000 1.112 108 I CA 1.633 62.880 61.300 -0.088 0.000 1.377 108 I CB -0.305 37.625 38.000 -0.116 0.000 1.060 108 I HN 0.032 8.242 8.210 -0.000 0.000 0.428 109 W N 1.476 122.681 121.300 -0.160 0.000 3.316 109 W HA 0.164 4.824 4.660 -0.000 0.000 0.327 109 W C 1.633 178.062 176.519 -0.149 0.000 1.232 109 W CA -0.158 57.100 57.345 -0.146 0.000 1.805 109 W CB -0.029 29.314 29.460 -0.195 0.000 1.090 109 W HN 0.152 8.332 8.180 -0.000 0.000 0.654 110 D N 0.386 120.801 120.400 0.026 0.000 2.077 110 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 110 D C 2.349 178.629 176.300 -0.033 0.000 0.986 110 D CA 2.109 56.108 54.000 -0.002 0.000 0.829 110 D CB -0.821 39.968 40.800 -0.018 0.000 0.983 110 D HN 0.016 8.386 8.370 -0.000 0.000 0.453 111 A N 1.353 124.124 122.820 -0.081 0.000 1.903 111 A HA -0.271 4.049 4.320 -0.001 0.000 0.219 111 A C 1.849 179.260 177.584 -0.289 0.000 1.191 111 A CA 1.896 53.866 52.037 -0.111 0.000 0.638 111 A CB -0.903 18.035 19.000 -0.103 0.000 0.823 111 A HN 0.293 8.443 8.150 -0.000 0.000 0.451 112 N N -0.376 118.041 118.700 -0.471 0.000 2.272 112 N HA -0.131 4.608 4.740 -0.001 0.000 0.185 112 N C 1.559 176.860 175.510 -0.349 0.000 1.014 112 N CA 1.323 53.876 53.050 -0.828 0.000 0.870 112 N CB -0.256 37.943 38.487 -0.480 0.000 0.975 112 N HN 0.545 8.925 8.380 -0.000 0.000 0.433 113 G N 0.926 109.682 108.800 -0.073 0.000 2.986 113 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.213 113 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.213 113 G C 0.775 175.724 174.900 0.082 0.000 1.156 113 G CA 0.004 45.139 45.100 0.058 0.000 0.763 113 G HN 0.348 8.638 8.290 -0.000 0.000 0.547 114 S N -0.126 115.613 115.700 0.066 0.000 2.639 114 S HA 0.024 4.494 4.470 -0.001 0.000 0.252 114 S C 1.595 176.278 174.600 0.138 0.000 1.413 114 S CA 0.018 58.279 58.200 0.102 0.000 0.974 114 S CB 0.818 64.090 63.200 0.119 0.000 0.899 114 S HN 0.110 8.420 8.310 -0.000 0.000 0.562 115 R N 0.848 121.418 120.500 0.117 0.000 2.127 115 R HA 0.019 4.358 4.340 -0.001 0.000 0.217 115 R C 1.660 178.031 176.300 0.119 0.000 1.074 115 R CA 1.457 57.622 56.100 0.110 0.000 0.991 115 R CB -1.151 29.196 30.300 0.078 0.000 0.895 115 R HN 0.822 9.092 8.270 -0.000 0.000 0.450 116 D N -0.658 119.816 120.400 0.124 0.000 2.085 116 D HA -0.168 4.472 4.640 -0.001 0.000 0.199 116 D C 1.831 178.206 176.300 0.126 0.000 0.981 116 D CA 0.817 54.877 54.000 0.099 0.000 0.834 116 D CB -0.483 40.367 40.800 0.082 0.000 0.992 116 D HN 0.106 8.476 8.370 -0.000 0.000 0.457 117 F N 1.775 121.750 119.950 0.042 0.000 2.120 117 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 117 F C 2.452 178.295 175.800 0.072 0.000 1.095 117 F CA 1.092 59.122 58.000 0.050 0.000 1.249 117 F CB -0.151 38.883 39.000 0.056 0.000 0.995 117 F HN -0.142 8.158 8.300 -0.000 0.000 0.480 118 L N -0.339 121.092 121.223 0.347 0.000 2.079 118 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 118 L C 1.632 178.616 176.870 0.189 0.000 1.081 118 L CA 1.621 56.634 54.840 0.287 0.000 0.752 118 L CB -0.610 41.587 42.059 0.231 0.000 0.896 118 L HN 0.081 8.311 8.230 -0.000 0.000 0.433 119 D N -1.221 119.247 120.400 0.112 0.000 2.317 119 D HA -0.094 4.545 4.640 -0.001 0.000 0.211 119 D C 2.253 178.539 176.300 -0.023 0.000 0.966 119 D CA 0.541 54.566 54.000 0.042 0.000 0.876 119 D CB 0.153 40.971 40.800 0.031 0.000 0.927 119 D HN 0.101 8.471 8.370 -0.000 0.000 0.519 120 S N 0.282 115.957 115.700 -0.042 0.000 2.359 120 S HA -0.155 4.315 4.470 -0.001 0.000 0.223 120 S C 1.799 176.325 174.600 -0.124 0.000 1.039 120 S CA 0.898 59.026 58.200 -0.119 0.000 1.042 120 S CB -0.190 62.864 63.200 -0.243 0.000 0.915 120 S HN 0.185 8.495 8.310 -0.000 0.000 0.439 121 L N 0.175 121.326 121.223 -0.119 0.000 2.109 121 L HA 0.217 4.557 4.340 -0.001 0.000 0.207 121 L C 2.081 178.727 176.870 -0.374 0.000 1.086 121 L CA 1.463 56.158 54.840 -0.243 0.000 0.760 121 L CB -0.603 41.286 42.059 -0.283 0.000 0.910 121 L HN 0.534 8.764 8.230 -0.000 0.000 0.437 122 G N -2.711 105.908 108.800 -0.302 0.000 2.367 122 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.181 122 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.181 122 G C 0.147 174.951 174.900 -0.160 0.000 1.000 122 G CA -0.564 44.389 45.100 -0.245 0.000 0.693 122 G HN 0.054 8.344 8.290 -0.000 0.000 0.480 123 F N 3.304 123.276 119.950 0.036 0.000 2.659 123 F HA 0.382 4.909 4.527 -0.000 0.000 0.356 123 F C 1.751 177.580 175.800 0.048 0.000 1.273 123 F CA 0.668 58.695 58.000 0.044 0.000 1.243 123 F CB -0.002 39.032 39.000 0.056 0.000 1.683 123 F HN 0.074 8.374 8.300 -0.000 0.000 0.679 124 S N -0.250 115.554 115.700 0.173 0.000 2.395 124 S HA -0.146 4.324 4.470 -0.001 0.000 0.225 124 S C 2.270 176.940 174.600 0.118 0.000 1.027 124 S CA 1.364 59.636 58.200 0.119 0.000 0.965 124 S CB -0.218 63.024 63.200 0.070 0.000 0.812 124 S HN 0.683 8.993 8.310 -0.000 0.000 0.482 125 T N 1.816 116.446 114.554 0.126 0.000 2.607 125 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 125 T C 0.857 175.611 174.700 0.090 0.000 1.049 125 T CA 0.722 62.880 62.100 0.096 0.000 1.162 125 T CB -0.653 68.272 68.868 0.095 0.000 0.863 125 T HN 0.294 8.534 8.240 -0.000 0.000 0.424 126 R N 2.712 123.276 120.500 0.108 0.000 2.481 126 R HA 0.062 4.402 4.340 -0.001 0.000 0.291 126 R C 0.409 176.761 176.300 0.086 0.000 0.934 126 R CA 0.339 56.490 56.100 0.084 0.000 1.116 126 R CB 0.143 30.491 30.300 0.080 0.000 0.895 126 R HN 0.619 8.889 8.270 -0.000 0.000 0.410 127 E N 1.929 122.172 120.200 0.071 0.000 2.391 127 E HA -0.041 4.308 4.350 -0.001 0.000 0.255 127 E C 0.237 176.885 176.600 0.080 0.000 1.187 127 E CA -0.379 56.062 56.400 0.069 0.000 0.941 127 E CB 0.571 30.306 29.700 0.058 0.000 1.010 127 E HN 0.467 8.828 8.360 -0.000 0.000 0.458 128 E N 0.278 120.524 120.200 0.077 0.000 2.415 128 E HA -0.051 4.299 4.350 -0.001 0.000 0.262 128 E C 0.546 177.196 176.600 0.084 0.000 1.038 128 E CA 0.963 57.413 56.400 0.082 0.000 0.921 128 E CB 0.672 30.414 29.700 0.070 0.000 0.950 128 E HN 0.704 9.064 8.360 -0.000 0.000 0.438 129 G N 3.923 112.778 108.800 0.092 0.000 2.317 129 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.227 129 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.227 129 G C 0.160 175.136 174.900 0.127 0.000 1.042 129 G CA 0.319 45.481 45.100 0.103 0.000 0.623 129 G HN 0.699 8.989 8.290 -0.000 0.000 0.509 130 D N 1.503 121.971 120.400 0.113 0.000 2.402 130 D HA 0.434 5.074 4.640 -0.001 0.000 0.235 130 D C 1.671 178.001 176.300 0.050 0.000 1.226 130 D CA -0.346 53.719 54.000 0.109 0.000 0.918 130 D CB -0.016 40.862 40.800 0.132 0.000 1.043 130 D HN 0.293 8.663 8.370 -0.000 0.000 0.506 131 L N 3.041 124.287 121.223 0.038 0.000 2.610 131 L HA 0.259 4.599 4.340 -0.001 0.000 0.232 131 L C 1.534 178.309 176.870 -0.157 0.000 1.149 131 L CA 0.347 55.202 54.840 0.025 0.000 0.872 131 L CB -0.837 41.306 42.059 0.141 0.000 0.992 131 L HN 0.666 8.896 8.230 -0.000 0.000 0.447 132 G N 0.464 109.057 108.800 -0.346 0.000 2.660 132 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.247 132 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.247 132 G C -2.735 171.452 174.900 -1.188 0.000 1.328 132 G CA -0.661 43.987 45.100 -0.754 0.000 0.884 132 G HN -0.032 8.258 8.290 -0.000 0.000 0.531 133 P HA 0.355 4.775 4.420 -0.000 0.000 0.249 133 P C 0.854 177.867 177.300 -0.478 0.000 1.737 133 P CA 0.567 62.950 63.100 -1.196 0.000 1.128 133 P CB -0.032 30.970 31.700 -1.164 0.000 1.942 134 V N 0.738 120.405 119.914 -0.412 0.000 4.219 134 V HA 0.241 4.361 4.120 -0.001 0.000 0.275 134 V C 1.616 177.499 176.094 -0.351 0.000 1.240 134 V CA -0.387 61.689 62.300 -0.373 0.000 0.821 134 V CB -1.017 30.585 31.823 -0.367 0.000 1.250 134 V HN 0.076 8.265 8.190 -0.000 0.000 0.428 135 Y N 1.765 121.832 120.300 -0.388 0.000 1.977 135 Y HA -0.141 4.409 4.550 -0.000 0.000 0.264 135 Y C 2.835 178.307 175.900 -0.714 0.000 1.167 135 Y CA 2.732 60.389 58.100 -0.738 0.000 1.102 135 Y CB -1.629 36.069 38.460 -1.271 0.000 0.948 135 Y HN 0.742 9.022 8.280 -0.000 0.000 0.489 136 G N -0.791 107.714 108.800 -0.491 0.000 2.599 136 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.219 136 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.219 136 G C 1.706 176.492 174.900 -0.190 0.000 1.193 136 G CA 1.319 46.193 45.100 -0.377 0.000 0.778 136 G HN 0.427 8.717 8.290 -0.000 0.000 0.589 137 F N 1.212 120.983 119.950 -0.298 0.000 2.171 137 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 137 F C 2.937 178.659 175.800 -0.131 0.000 1.090 137 F CA 1.898 59.767 58.000 -0.218 0.000 1.293 137 F CB 0.042 38.894 39.000 -0.246 0.000 1.013 137 F HN 0.093 8.393 8.300 -0.000 0.000 0.486 138 Q N -0.953 118.875 119.800 0.046 0.000 2.123 138 Q HA -0.182 4.158 4.340 -0.001 0.000 0.199 138 Q C 1.951 178.092 176.000 0.235 0.000 0.966 138 Q CA 1.253 57.152 55.803 0.160 0.000 0.845 138 Q CB -1.007 27.864 28.738 0.223 0.000 0.907 138 Q HN 0.530 8.800 8.270 -0.000 0.000 0.439 139 W N 0.844 122.093 121.300 -0.085 0.000 2.800 139 W HA -0.000 4.659 4.660 -0.001 0.000 0.249 139 W C 1.645 178.050 176.519 -0.190 0.000 1.294 139 W CA 0.358 57.647 57.345 -0.093 0.000 1.402 139 W CB 0.155 29.567 29.460 -0.080 0.000 1.126 139 W HN 0.114 8.294 8.180 -0.000 0.000 0.652 140 R N -1.377 119.017 120.500 -0.176 0.000 2.107 140 R HA 0.111 4.451 4.340 -0.001 0.000 0.195 140 R C 0.127 176.081 176.300 -0.576 0.000 1.214 140 R CA 0.864 56.669 56.100 -0.491 0.000 1.129 140 R CB -0.885 28.864 30.300 -0.918 0.000 1.045 140 R HN 0.092 8.362 8.270 -0.000 0.000 0.489 141 H N 0.337 119.181 119.070 -0.377 0.000 2.645 141 H HA 0.278 4.834 4.556 -0.001 0.000 0.257 141 H C -0.738 174.278 175.328 -0.521 0.000 1.269 141 H CA -0.912 54.856 56.048 -0.467 0.000 1.409 141 H CB -0.032 29.350 29.762 -0.633 0.000 1.434 141 H HN -0.026 8.254 8.280 -0.000 0.000 0.505 142 F N 1.366 121.199 119.950 -0.194 0.000 2.375 142 F HA 0.434 4.960 4.527 -0.001 0.000 0.313 142 F C 1.503 177.313 175.800 0.017 0.000 1.176 142 F CA 1.314 59.274 58.000 -0.068 0.000 1.142 142 F CB 0.919 39.921 39.000 0.003 0.000 1.275 142 F HN 0.662 8.962 8.300 -0.000 0.000 0.544 143 G N 1.698 109.894 108.800 -1.006 0.000 2.302 143 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.263 143 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.263 143 G C 0.144 174.956 174.900 -0.148 0.000 0.995 143 G CA 0.234 45.039 45.100 -0.492 0.000 0.622 143 G HN 1.309 9.599 8.290 -0.000 0.000 0.538 144 A N 0.054 122.867 122.820 -0.012 0.000 2.354 144 A HA 0.669 4.988 4.320 -0.001 0.000 0.269 144 A C 0.240 177.991 177.584 0.278 0.000 1.109 144 A CA 0.432 52.576 52.037 0.179 0.000 0.800 144 A CB 0.597 19.768 19.000 0.284 0.000 1.045 144 A HN 0.566 8.716 8.150 -0.000 0.000 0.489 145 E N 1.306 121.628 120.200 0.203 0.000 2.217 145 E HA 0.289 4.639 4.350 -0.001 0.000 0.279 145 E C -0.638 176.087 176.600 0.207 0.000 1.068 145 E CA -0.042 56.443 56.400 0.142 0.000 0.882 145 E CB 0.048 29.795 29.700 0.079 0.000 1.039 145 E HN 0.511 8.871 8.360 -0.000 0.000 0.418 146 Y N 4.088 124.316 120.300 -0.121 0.000 2.546 146 Y HA -0.049 4.501 4.550 -0.001 0.000 0.351 146 Y C 1.098 176.998 175.900 0.001 0.000 1.266 146 Y CA 0.952 58.888 58.100 -0.273 0.000 1.487 146 Y CB 0.603 38.686 38.460 -0.629 0.000 1.365 146 Y HN 0.652 8.932 8.280 -0.000 0.000 0.642 147 R N 0.237 120.482 120.500 -0.424 0.000 4.480 147 R HA 0.198 4.538 4.340 -0.001 0.000 0.131 147 R C -1.069 174.998 176.300 -0.387 0.000 1.015 147 R CA 0.338 56.270 56.100 -0.280 0.000 0.941 147 R CB 0.429 30.580 30.300 -0.249 0.000 1.426 147 R HN 0.736 9.006 8.270 -0.000 0.000 0.435 148 D N 0.400 120.490 120.400 -0.516 0.000 2.623 148 D HA 0.065 4.705 4.640 -0.001 0.000 0.241 148 D C 0.177 176.378 176.300 -0.165 0.000 1.241 148 D CA -0.645 53.192 54.000 -0.272 0.000 0.788 148 D CB 0.831 41.557 40.800 -0.124 0.000 1.413 148 D HN 0.143 8.513 8.370 -0.000 0.000 0.429 149 M N -1.482 118.154 119.600 0.059 0.000 2.747 149 M HA 0.262 4.742 4.480 -0.001 0.000 0.221 149 M C 0.262 176.637 176.300 0.125 0.000 1.107 149 M CA 0.877 56.282 55.300 0.174 0.000 1.031 149 M CB -0.104 32.618 32.600 0.203 0.000 1.727 149 M HN 0.349 8.639 8.290 -0.000 0.000 0.517 150 E N -0.027 120.206 120.200 0.056 0.000 2.500 150 E HA 0.179 4.529 4.350 -0.001 0.000 0.217 150 E C 0.051 176.637 176.600 -0.023 0.000 0.848 150 E CA -0.189 56.230 56.400 0.031 0.000 1.217 150 E CB 0.951 30.657 29.700 0.010 0.000 1.217 150 E HN 0.467 8.827 8.360 -0.000 0.000 0.573 151 S N 1.155 116.790 115.700 -0.108 0.000 2.565 151 S HA 0.043 4.513 4.470 -0.001 0.000 0.276 151 S C -0.418 173.970 174.600 -0.353 0.000 1.326 151 S CA -0.477 57.555 58.200 -0.279 0.000 1.045 151 S CB 0.850 63.773 63.200 -0.462 0.000 0.918 151 S HN 0.070 8.380 8.310 -0.000 0.000 0.505 152 D N 1.934 122.143 120.400 -0.319 0.000 2.255 152 D HA 0.249 4.889 4.640 -0.001 0.000 0.249 152 D C -0.480 175.569 176.300 -0.419 0.000 1.078 152 D CA -0.090 53.783 54.000 -0.211 0.000 0.896 152 D CB 0.462 41.200 40.800 -0.103 0.000 1.194 152 D HN 0.608 8.978 8.370 -0.000 0.000 0.429 153 Y N 0.636 120.794 120.300 -0.237 0.000 2.557 153 Y HA 0.266 4.816 4.550 -0.001 0.000 0.247 153 Y C 0.976 176.606 175.900 -0.449 0.000 1.164 153 Y CA -0.557 57.328 58.100 -0.359 0.000 1.218 153 Y CB -0.064 38.107 38.460 -0.481 0.000 1.210 153 Y HN 0.162 8.442 8.280 -0.000 0.000 0.529 154 S N 0.863 116.463 115.700 -0.167 0.000 2.599 154 S HA 0.213 4.682 4.470 -0.001 0.000 0.303 154 S C 1.524 176.107 174.600 -0.029 0.000 1.267 154 S CA 1.320 59.483 58.200 -0.063 0.000 1.055 154 S CB 0.078 63.276 63.200 -0.004 0.000 0.790 154 S HN 0.904 9.214 8.310 -0.000 0.000 0.500 155 G N 2.581 111.395 108.800 0.023 0.000 2.328 155 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.256 155 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.256 155 G C -0.052 174.869 174.900 0.035 0.000 1.014 155 G CA 0.243 45.361 45.100 0.030 0.000 0.620 155 G HN 0.682 8.972 8.290 -0.000 0.000 0.530 156 Q N 0.638 120.449 119.800 0.018 0.000 2.286 156 Q HA 0.486 4.826 4.340 -0.001 0.000 0.257 156 Q C 0.898 176.947 176.000 0.081 0.000 0.941 156 Q CA 0.349 56.179 55.803 0.045 0.000 0.912 156 Q CB 1.206 29.979 28.738 0.059 0.000 1.192 156 Q HN 1.621 9.891 8.270 -0.000 0.000 0.410 157 G N 0.584 109.436 108.800 0.087 0.000 2.916 157 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.533 157 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.533 157 G C -0.338 174.636 174.900 0.124 0.000 1.516 157 G CA -0.768 44.395 45.100 0.106 0.000 0.944 157 G HN 0.516 8.806 8.290 -0.000 0.000 0.555 158 V N 1.132 121.148 119.914 0.169 0.000 2.599 158 V HA 0.219 4.339 4.120 -0.001 0.000 0.300 158 V C 0.776 176.925 176.094 0.092 0.000 1.034 158 V CA 0.708 63.090 62.300 0.137 0.000 1.115 158 V CB 1.543 33.464 31.823 0.163 0.000 0.934 158 V HN 0.787 8.977 8.190 -0.000 0.000 0.485 159 D N 4.587 125.014 120.400 0.046 0.000 2.500 159 D HA 0.142 4.782 4.640 -0.001 0.000 0.219 159 D C 1.120 177.406 176.300 -0.023 0.000 1.137 159 D CA -0.327 53.676 54.000 0.005 0.000 0.946 159 D CB 0.992 41.799 40.800 0.012 0.000 1.022 159 D HN 0.486 8.856 8.370 -0.000 0.000 0.518 160 Q N 2.027 121.812 119.800 -0.026 0.000 1.943 160 Q HA -0.222 4.118 4.340 -0.001 0.000 0.213 160 Q C 1.804 177.730 176.000 -0.123 0.000 1.017 160 Q CA 1.149 56.913 55.803 -0.066 0.000 0.874 160 Q CB -0.614 28.100 28.738 -0.040 0.000 0.960 160 Q HN 0.491 8.761 8.270 -0.000 0.000 0.417 161 L N 1.090 122.213 121.223 -0.167 0.000 1.978 161 L HA -0.285 4.055 4.340 -0.001 0.000 0.218 161 L C 2.528 179.302 176.870 -0.159 0.000 1.075 161 L CA 2.281 56.986 54.840 -0.225 0.000 0.767 161 L CB -1.051 40.901 42.059 -0.178 0.000 0.890 161 L HN 0.322 8.552 8.230 -0.000 0.000 0.434 162 Q N 0.009 119.753 119.800 -0.094 0.000 1.956 162 Q HA -0.286 4.054 4.340 -0.001 0.000 0.208 162 Q C 2.502 178.454 176.000 -0.081 0.000 0.998 162 Q CA 2.341 58.102 55.803 -0.069 0.000 0.855 162 Q CB -0.582 28.136 28.738 -0.034 0.000 0.928 162 Q HN 0.418 8.688 8.270 -0.000 0.000 0.418 163 R N -0.903 119.557 120.500 -0.067 0.000 2.226 163 R HA -0.158 4.182 4.340 -0.001 0.000 0.246 163 R C 2.085 178.332 176.300 -0.088 0.000 1.161 163 R CA 1.279 57.342 56.100 -0.062 0.000 0.997 163 R CB -0.263 30.009 30.300 -0.046 0.000 0.870 163 R HN 0.244 8.514 8.270 -0.000 0.000 0.465 164 V N 0.517 120.354 119.914 -0.129 0.000 2.255 164 V HA -0.233 3.886 4.120 -0.001 0.000 0.243 164 V C 2.137 178.102 176.094 -0.215 0.000 1.038 164 V CA 1.966 64.156 62.300 -0.184 0.000 1.008 164 V CB -0.269 31.391 31.823 -0.273 0.000 0.645 164 V HN 0.309 8.499 8.190 -0.000 0.000 0.449 165 I N 0.366 120.808 120.570 -0.214 0.000 2.248 165 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 165 I C 2.178 178.224 176.117 -0.119 0.000 1.107 165 I CA 1.598 62.791 61.300 -0.178 0.000 1.373 165 I CB -0.591 37.333 38.000 -0.127 0.000 1.055 165 I HN 0.353 8.563 8.210 -0.000 0.000 0.418 166 D N 0.711 121.054 120.400 -0.094 0.000 2.084 166 D HA -0.125 4.515 4.640 -0.001 0.000 0.196 166 D C 2.293 178.554 176.300 -0.066 0.000 0.985 166 D CA 2.014 55.973 54.000 -0.067 0.000 0.826 166 D CB -0.645 40.124 40.800 -0.051 0.000 0.978 166 D HN 0.305 8.675 8.370 -0.000 0.000 0.456 167 T N 1.005 115.518 114.554 -0.069 0.000 2.881 167 T HA -0.087 4.263 4.350 -0.001 0.000 0.270 167 T C 1.932 176.592 174.700 -0.067 0.000 1.068 167 T CA 0.480 62.544 62.100 -0.059 0.000 1.131 167 T CB 0.060 68.898 68.868 -0.050 0.000 0.871 167 T HN 0.082 8.322 8.240 -0.000 0.000 0.479 168 I N 1.145 121.660 120.570 -0.090 0.000 2.333 168 I HA 0.011 4.181 4.170 -0.001 0.000 0.246 168 I C 2.362 178.435 176.117 -0.074 0.000 1.106 168 I CA 1.108 62.353 61.300 -0.092 0.000 1.411 168 I CB -0.749 37.168 38.000 -0.138 0.000 1.082 168 I HN 0.238 8.448 8.210 -0.000 0.000 0.420 169 K N 0.418 120.776 120.400 -0.071 0.000 2.217 169 K HA -0.060 4.260 4.320 -0.001 0.000 0.202 169 K C 1.583 178.154 176.600 -0.048 0.000 1.051 169 K CA 1.692 57.945 56.287 -0.057 0.000 0.952 169 K CB 0.079 32.547 32.500 -0.053 0.000 0.736 169 K HN 0.451 8.701 8.250 -0.000 0.000 0.453 170 T N -3.684 110.841 114.554 -0.047 0.000 3.040 170 T HA 0.154 4.504 4.350 -0.001 0.000 0.266 170 T C 0.402 175.078 174.700 -0.040 0.000 1.005 170 T CA -0.357 61.719 62.100 -0.040 0.000 0.906 170 T CB 0.067 68.915 68.868 -0.034 0.000 1.082 170 T HN 0.011 8.251 8.240 -0.000 0.000 0.531 171 N N 1.434 120.107 118.700 -0.046 0.000 2.635 171 N HA 0.217 4.957 4.740 -0.001 0.000 0.252 171 N C -2.261 173.213 175.510 -0.060 0.000 1.589 171 N CA -1.304 51.718 53.050 -0.047 0.000 0.828 171 N CB 1.413 39.876 38.487 -0.039 0.000 1.403 171 N HN -0.039 8.341 8.380 -0.000 0.000 0.518 172 P HA -0.203 4.217 4.420 -0.000 0.000 0.218 172 P C 0.119 177.340 177.300 -0.131 0.000 1.152 172 P CA 1.557 64.603 63.100 -0.090 0.000 0.857 172 P CB -0.003 31.649 31.700 -0.081 0.000 0.787 173 D N -0.535 119.796 120.400 -0.115 0.000 2.676 173 D HA 0.023 4.662 4.640 -0.001 0.000 0.239 173 D C -0.014 176.225 176.300 -0.100 0.000 1.213 173 D CA -0.350 53.567 54.000 -0.138 0.000 0.835 173 D CB -1.100 39.641 40.800 -0.098 0.000 1.009 173 D HN 0.120 8.490 8.370 -0.000 0.000 0.479 174 D N 0.756 121.102 120.400 -0.089 0.000 2.225 174 D HA 0.138 4.777 4.640 -0.001 0.000 0.248 174 D C 0.261 176.548 176.300 -0.021 0.000 1.096 174 D CA -0.450 53.523 54.000 -0.044 0.000 0.863 174 D CB 0.921 41.702 40.800 -0.031 0.000 1.156 174 D HN 0.135 8.505 8.370 -0.000 0.000 0.450 175 R N 3.012 123.514 120.500 0.004 0.000 2.609 175 R HA 0.150 4.490 4.340 -0.001 0.000 0.326 175 R C 0.816 177.142 176.300 0.043 0.000 1.090 175 R CA -0.131 55.994 56.100 0.041 0.000 1.072 175 R CB 0.578 30.906 30.300 0.045 0.000 1.330 175 R HN 0.166 8.436 8.270 -0.000 0.000 0.572 176 R N 1.137 121.656 120.500 0.032 0.000 2.668 176 R HA 0.280 4.620 4.340 -0.001 0.000 0.435 176 R C -0.478 175.842 176.300 0.033 0.000 1.059 176 R CA -0.096 56.020 56.100 0.027 0.000 1.073 176 R CB 0.374 30.681 30.300 0.010 0.000 1.401 176 R HN 0.094 8.364 8.270 -0.000 0.000 0.590 177 I N 2.103 122.712 120.570 0.065 0.000 2.261 177 I HA 0.250 4.419 4.170 -0.001 0.000 0.285 177 I C -0.710 175.494 176.117 0.145 0.000 1.113 177 I CA -0.364 60.992 61.300 0.094 0.000 1.377 177 I CB 0.102 38.184 38.000 0.138 0.000 1.530 177 I HN 0.046 8.256 8.210 -0.000 0.000 0.607 178 I N 3.173 123.792 120.570 0.082 0.000 2.412 178 I HA 0.347 4.516 4.170 -0.001 0.000 0.296 178 I C 0.029 176.178 176.117 0.054 0.000 0.987 178 I CA -0.524 60.825 61.300 0.081 0.000 1.180 178 I CB 1.685 39.707 38.000 0.037 0.000 1.340 178 I HN 0.364 8.574 8.210 -0.000 0.000 0.455 179 M N 6.619 126.273 119.600 0.088 0.000 2.158 179 M HA 0.390 4.869 4.480 -0.001 0.000 0.326 179 M C -1.044 175.340 176.300 0.139 0.000 1.014 179 M CA -0.263 55.064 55.300 0.046 0.000 0.961 179 M CB 0.506 33.085 32.600 -0.035 0.000 1.327 179 M HN 0.717 9.007 8.290 -0.000 0.000 0.393 180 C N 3.283 122.634 119.300 0.085 0.000 2.652 180 C HA 0.644 5.104 4.460 -0.001 0.000 0.412 180 C C 1.319 176.502 174.990 0.322 0.000 1.294 180 C CA 0.561 59.677 59.018 0.164 0.000 2.127 180 C CB 0.411 28.156 27.740 0.009 0.000 2.691 180 C HN 0.927 9.157 8.230 -0.000 0.000 0.615 181 A N 4.371 127.450 122.820 0.431 0.000 2.671 181 A HA 0.259 4.579 4.320 -0.001 0.000 0.265 181 A C 0.022 177.843 177.584 0.394 0.000 1.148 181 A CA -0.296 52.004 52.037 0.438 0.000 0.977 181 A CB 0.043 19.380 19.000 0.560 0.000 1.242 181 A HN 0.923 9.073 8.150 -0.000 0.000 0.591 182 W N 2.118 123.541 121.300 0.206 0.000 2.309 182 W HA 0.360 5.019 4.660 -0.001 0.000 0.332 182 W C -1.075 175.572 176.519 0.212 0.000 0.962 182 W CA -0.653 56.789 57.345 0.163 0.000 1.497 182 W CB 0.485 30.032 29.460 0.146 0.000 1.308 182 W HN 0.185 8.365 8.180 -0.000 0.000 0.384 183 N N 6.695 125.393 118.700 -0.004 0.000 2.645 183 N HA 0.163 4.902 4.740 -0.001 0.000 0.233 183 N C -1.741 173.616 175.510 -0.255 0.000 1.058 183 N CA -1.733 51.319 53.050 0.002 0.000 0.942 183 N CB 1.358 39.835 38.487 -0.017 0.000 1.210 183 N HN 0.136 8.516 8.380 -0.000 0.000 0.512 184 P HA -0.199 4.221 4.420 -0.000 0.000 0.218 184 P C 1.316 178.524 177.300 -0.154 0.000 1.150 184 P CA 1.221 64.185 63.100 -0.227 0.000 0.841 184 P CB 0.369 32.054 31.700 -0.026 0.000 0.784 185 R N -0.089 120.346 120.500 -0.109 0.000 2.062 185 R HA -0.107 4.232 4.340 -0.001 0.000 0.229 185 R C 1.339 177.574 176.300 -0.110 0.000 1.128 185 R CA 1.747 57.795 56.100 -0.087 0.000 0.960 185 R CB -0.600 29.654 30.300 -0.076 0.000 0.855 185 R HN 0.066 8.336 8.270 -0.000 0.000 0.432 186 D N 0.954 121.263 120.400 -0.151 0.000 2.348 186 D HA -0.103 4.537 4.640 -0.001 0.000 0.216 186 D C 1.875 178.061 176.300 -0.190 0.000 0.970 186 D CA 0.384 54.281 54.000 -0.172 0.000 0.889 186 D CB -0.033 40.650 40.800 -0.195 0.000 0.912 186 D HN 0.292 8.662 8.370 -0.000 0.000 0.524 187 L N 0.742 121.828 121.223 -0.229 0.000 1.997 187 L HA -0.206 4.134 4.340 -0.001 0.000 0.216 187 L C -0.412 176.401 176.870 -0.095 0.000 1.074 187 L CA 1.808 56.499 54.840 -0.248 0.000 0.763 187 L CB -1.414 40.451 42.059 -0.323 0.000 0.890 187 L HN 0.092 8.322 8.230 -0.000 0.000 0.434 188 P HA -0.119 4.301 4.420 -0.000 0.000 0.223 188 P C 1.486 178.956 177.300 0.282 0.000 1.151 188 P CA 1.142 64.297 63.100 0.092 0.000 0.787 188 P CB 0.082 31.824 31.700 0.070 0.000 0.788 189 L N -2.787 118.502 121.223 0.109 0.000 2.249 189 L HA 0.173 4.513 4.340 -0.001 0.000 0.207 189 L C 1.403 178.079 176.870 -0.324 0.000 1.090 189 L CA 0.185 54.964 54.840 -0.102 0.000 0.802 189 L CB -1.178 40.748 42.059 -0.223 0.000 0.947 189 L HN -0.021 8.209 8.230 -0.000 0.000 0.453 190 M N -0.378 119.111 119.600 -0.184 0.000 2.242 190 M HA 0.486 4.965 4.480 -0.001 0.000 0.344 190 M C 1.363 177.685 176.300 0.037 0.000 1.140 190 M CA 0.059 55.254 55.300 -0.175 0.000 1.160 190 M CB 0.817 33.297 32.600 -0.201 0.000 1.491 190 M HN -0.031 8.259 8.290 -0.000 0.000 0.459 191 A N 3.697 126.570 122.820 0.088 0.000 1.836 191 A HA 0.022 4.342 4.320 -0.001 0.000 0.215 191 A C 0.991 178.716 177.584 0.236 0.000 1.214 191 A CA 1.233 53.408 52.037 0.229 0.000 0.636 191 A CB -0.601 18.527 19.000 0.214 0.000 0.847 191 A HN 0.824 8.974 8.150 -0.000 0.000 0.451 192 L N -2.811 118.534 121.223 0.204 0.000 2.325 192 L HA 0.555 4.895 4.340 -0.001 0.000 0.281 192 L C -3.116 173.849 176.870 0.158 0.000 1.004 192 L CA -2.332 52.621 54.840 0.188 0.000 0.823 192 L CB 0.099 42.255 42.059 0.162 0.000 1.236 192 L HN -0.045 8.185 8.230 -0.000 0.000 0.415 193 P HA 0.108 4.528 4.420 -0.000 0.000 0.260 193 P C -2.328 175.150 177.300 0.296 0.000 1.172 193 P CA -0.106 63.080 63.100 0.143 0.000 0.760 193 P CB -0.116 31.710 31.700 0.211 0.000 0.773 194 P HA -0.053 4.367 4.420 -0.000 0.000 0.264 194 P C 0.465 178.014 177.300 0.415 0.000 1.183 194 P CA 0.254 63.511 63.100 0.261 0.000 0.763 194 P CB 0.312 32.002 31.700 -0.018 0.000 0.807 195 C N 1.380 120.863 119.300 0.305 0.000 2.467 195 C HA -0.046 4.413 4.460 -0.001 0.000 0.279 195 C C 0.955 175.941 174.990 -0.006 0.000 1.347 195 C CA 0.626 59.681 59.018 0.063 0.000 1.748 195 C CB -1.641 26.026 27.740 -0.121 0.000 1.977 195 C HN 0.650 8.880 8.230 -0.000 0.000 0.501 196 H N -0.255 119.094 119.070 0.466 0.000 2.821 196 H HA 0.462 5.018 4.556 -0.000 0.000 0.262 196 H C 0.974 176.561 175.328 0.431 0.000 1.402 196 H CA 0.203 56.469 56.048 0.363 0.000 1.293 196 H CB 0.371 30.303 29.762 0.283 0.000 1.533 196 H HN 0.319 8.599 8.280 -0.000 0.000 0.528 197 A N 3.589 126.634 122.820 0.375 0.000 1.862 197 A HA -0.094 4.226 4.320 -0.001 0.000 0.214 197 A C 0.752 178.555 177.584 0.364 0.000 1.228 197 A CA 1.823 54.033 52.037 0.288 0.000 0.665 197 A CB -0.411 18.595 19.000 0.009 0.000 0.845 197 A HN 0.610 8.760 8.150 -0.000 0.000 0.459 198 L N -4.458 116.923 121.223 0.264 0.000 2.250 198 L HA 0.770 5.109 4.340 -0.001 0.000 0.252 198 L C -0.524 176.469 176.870 0.207 0.000 1.054 198 L CA -0.858 54.127 54.840 0.241 0.000 0.856 198 L CB 1.612 43.746 42.059 0.126 0.000 1.443 198 L HN 0.873 9.103 8.230 -0.000 0.000 0.427 199 C N -0.780 118.620 119.300 0.167 0.000 2.811 199 C HA 0.705 5.164 4.460 -0.001 0.000 0.352 199 C C -0.616 174.389 174.990 0.025 0.000 1.098 199 C CA -0.492 58.576 59.018 0.083 0.000 1.295 199 C CB 0.812 28.623 27.740 0.118 0.000 1.758 199 C HN 1.131 9.361 8.230 -0.000 0.000 0.488 200 Q N 1.518 121.298 119.800 -0.035 0.000 2.222 200 Q HA 0.730 5.069 4.340 -0.001 0.000 0.252 200 Q C -1.529 174.399 176.000 -0.120 0.000 0.926 200 Q CA -0.398 55.405 55.803 0.000 0.000 0.899 200 Q CB 1.144 29.901 28.738 0.032 0.000 1.250 200 Q HN 0.730 9.000 8.270 -0.000 0.000 0.441 201 F N 2.035 122.045 119.950 0.100 0.000 2.470 201 F HA 0.472 4.999 4.527 -0.000 0.000 0.329 201 F C -0.873 175.033 175.800 0.176 0.000 1.072 201 F CA -0.382 57.689 58.000 0.118 0.000 0.989 201 F CB 1.366 40.399 39.000 0.055 0.000 1.193 201 F HN 0.505 8.805 8.300 -0.000 0.000 0.481 202 Y N 1.673 122.109 120.300 0.228 0.000 2.470 202 Y HA 0.695 5.245 4.550 -0.001 0.000 0.341 202 Y C -1.771 174.199 175.900 0.116 0.000 1.021 202 Y CA -0.934 57.240 58.100 0.123 0.000 1.025 202 Y CB 1.638 40.134 38.460 0.060 0.000 1.266 202 Y HN 0.324 8.604 8.280 -0.000 0.000 0.448 203 V N 5.958 125.669 119.914 -0.337 0.000 2.789 203 V HA 0.868 4.988 4.120 -0.001 0.000 0.311 203 V C -1.154 174.752 176.094 -0.313 0.000 1.073 203 V CA -0.870 61.324 62.300 -0.177 0.000 0.921 203 V CB 1.752 33.516 31.823 -0.098 0.000 1.009 203 V HN 0.643 8.833 8.190 -0.000 0.000 0.426 204 V N 2.610 122.473 119.914 -0.084 0.000 3.174 204 V HA 0.409 4.529 4.120 -0.001 0.000 0.280 204 V C -0.531 175.575 176.094 0.020 0.000 1.554 204 V CA -0.829 61.447 62.300 -0.040 0.000 1.016 204 V CB 2.450 34.303 31.823 0.051 0.000 1.197 204 V HN 0.946 9.136 8.190 -0.000 0.000 0.453 205 N N 2.249 120.955 118.700 0.011 0.000 2.708 205 N HA -0.190 4.550 4.740 -0.001 0.000 0.251 205 N C 0.646 176.163 175.510 0.012 0.000 1.017 205 N CA 1.466 54.525 53.050 0.015 0.000 0.742 205 N CB -0.974 37.531 38.487 0.030 0.000 0.943 205 N HN 1.108 9.488 8.380 -0.000 0.000 0.539 206 S N -2.779 112.920 115.700 -0.001 0.000 3.476 206 S HA -0.262 4.207 4.470 -0.001 0.000 0.309 206 S C 0.113 174.718 174.600 0.007 0.000 1.222 206 S CA 1.346 59.544 58.200 -0.004 0.000 0.922 206 S CB -1.047 62.150 63.200 -0.005 0.000 1.023 206 S HN 0.697 9.007 8.310 -0.000 0.000 0.591 207 E N -0.261 119.955 120.200 0.025 0.000 2.212 207 E HA 0.658 5.007 4.350 -0.001 0.000 0.268 207 E C -0.650 175.996 176.600 0.075 0.000 0.902 207 E CA -0.902 55.524 56.400 0.045 0.000 0.779 207 E CB 1.345 31.082 29.700 0.061 0.000 1.172 207 E HN 0.190 8.550 8.360 -0.000 0.000 0.409 208 L N 1.588 122.861 121.223 0.084 0.000 2.325 208 L HA 0.547 4.887 4.340 -0.001 0.000 0.278 208 L C -1.034 175.954 176.870 0.197 0.000 1.023 208 L CA 0.090 55.020 54.840 0.149 0.000 0.811 208 L CB 1.776 43.918 42.059 0.138 0.000 1.249 208 L HN 0.396 8.626 8.230 -0.000 0.000 0.431 209 S N 2.656 118.526 115.700 0.282 0.000 2.595 209 S HA 0.729 5.198 4.470 -0.001 0.000 0.281 209 S C -1.682 173.016 174.600 0.163 0.000 1.117 209 S CA -0.605 57.728 58.200 0.221 0.000 0.873 209 S CB 1.695 65.005 63.200 0.184 0.000 1.108 209 S HN 0.864 9.174 8.310 -0.000 0.000 0.477 210 C N 2.162 121.494 119.300 0.054 0.000 2.701 210 C HA 0.674 5.134 4.460 -0.001 0.000 0.336 210 C C -1.315 173.649 174.990 -0.042 0.000 1.123 210 C CA -0.299 58.612 59.018 -0.178 0.000 1.326 210 C CB 0.991 28.528 27.740 -0.338 0.000 1.833 210 C HN 0.982 9.212 8.230 -0.000 0.000 0.473 211 Q N 4.419 124.138 119.800 -0.136 0.000 2.381 211 Q HA 0.596 4.936 4.340 -0.001 0.000 0.263 211 Q C -1.398 174.559 176.000 -0.071 0.000 1.030 211 Q CA -0.592 55.121 55.803 -0.150 0.000 0.772 211 Q CB 1.380 30.043 28.738 -0.125 0.000 1.232 211 Q HN 0.811 9.081 8.270 -0.000 0.000 0.476 212 L N 4.967 126.155 121.223 -0.059 0.000 2.265 212 L HA 0.390 4.730 4.340 -0.001 0.000 0.288 212 L C -1.685 175.234 176.870 0.082 0.000 1.058 212 L CA -0.251 54.582 54.840 -0.013 0.000 0.809 212 L CB 0.683 42.709 42.059 -0.055 0.000 1.179 212 L HN 0.637 8.867 8.230 -0.000 0.000 0.429 213 Y N 4.407 124.707 120.300 -0.000 0.000 2.323 213 Y HA 0.487 5.037 4.550 -0.001 0.000 0.331 213 Y C -0.377 175.576 175.900 0.088 0.000 1.092 213 Y CA -0.107 58.007 58.100 0.023 0.000 1.150 213 Y CB 1.018 39.469 38.460 -0.016 0.000 1.200 213 Y HN 0.725 9.005 8.280 -0.000 0.000 0.472 214 Q N 6.520 126.161 119.800 -0.265 0.000 2.303 214 Q HA 0.251 4.591 4.340 -0.001 0.000 0.267 214 Q C 0.515 176.368 176.000 -0.245 0.000 1.011 214 Q CA -0.745 55.029 55.803 -0.049 0.000 0.740 214 Q CB 1.053 29.898 28.738 0.179 0.000 1.250 214 Q HN 0.986 9.256 8.270 -0.000 0.000 0.458 215 R N 1.233 121.711 120.500 -0.038 0.000 2.152 215 R HA 0.006 4.345 4.340 -0.001 0.000 0.232 215 R C 0.286 176.608 176.300 0.038 0.000 1.117 215 R CA 1.176 57.291 56.100 0.025 0.000 0.981 215 R CB 0.204 30.498 30.300 -0.010 0.000 0.870 215 R HN 0.283 8.553 8.270 -0.000 0.000 0.451 216 S N -0.549 115.176 115.700 0.041 0.000 2.566 216 S HA 0.593 5.062 4.470 -0.001 0.000 0.273 216 S C -0.960 173.702 174.600 0.102 0.000 1.157 216 S CA -0.307 57.965 58.200 0.120 0.000 0.938 216 S CB 1.979 65.267 63.200 0.145 0.000 1.087 216 S HN 0.428 8.738 8.310 -0.000 0.000 0.474 217 G N 1.814 110.667 108.800 0.087 0.000 2.662 217 G HA2 0.516 4.476 3.960 -0.001 0.000 0.302 217 G HA3 0.516 4.476 3.960 -0.001 0.000 0.302 217 G C -1.718 173.004 174.900 -0.297 0.000 1.389 217 G CA -0.682 44.413 45.100 -0.008 0.000 0.998 217 G HN 0.724 9.014 8.290 -0.000 0.000 0.502 218 D N 2.851 123.129 120.400 -0.203 0.000 2.441 218 D HA 0.192 4.831 4.640 -0.001 0.000 0.221 218 D C 1.794 178.045 176.300 -0.081 0.000 1.156 218 D CA -0.624 53.192 54.000 -0.306 0.000 0.896 218 D CB 0.541 41.299 40.800 -0.070 0.000 1.028 218 D HN 0.101 8.471 8.370 -0.000 0.000 0.509 219 M N 2.556 122.086 119.600 -0.117 0.000 2.255 219 M HA -0.050 4.430 4.480 -0.001 0.000 0.259 219 M C 1.964 178.367 176.300 0.171 0.000 1.071 219 M CA 1.251 56.586 55.300 0.059 0.000 1.074 219 M CB -1.284 31.270 32.600 -0.076 0.000 1.384 219 M HN 0.567 8.857 8.290 -0.000 0.000 0.415 220 G N 0.802 109.665 108.800 0.105 0.000 2.453 220 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.215 220 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.215 220 G C 1.270 176.211 174.900 0.067 0.000 1.201 220 G CA 0.995 46.149 45.100 0.089 0.000 0.784 220 G HN 0.576 8.866 8.290 -0.000 0.000 0.545 221 L N -2.961 118.303 121.223 0.068 0.000 3.483 221 L HA 0.680 5.020 4.340 -0.001 0.000 0.327 221 L C 1.136 178.068 176.870 0.103 0.000 1.318 221 L CA 0.421 55.301 54.840 0.067 0.000 0.979 221 L CB 0.710 42.764 42.059 -0.007 0.000 1.404 221 L HN 0.101 8.331 8.230 -0.000 0.000 0.615 222 G N 0.139 109.025 108.800 0.142 0.000 2.894 222 G HA2 0.101 4.060 3.960 -0.001 0.000 0.202 222 G HA3 0.101 4.060 3.960 -0.001 0.000 0.202 222 G C 0.927 175.983 174.900 0.259 0.000 1.130 222 G CA 0.856 46.056 45.100 0.167 0.000 0.820 222 G HN -0.006 8.284 8.290 -0.000 0.000 0.647 223 V N 2.494 122.565 119.914 0.262 0.000 2.231 223 V HA -0.155 3.965 4.120 -0.001 0.000 0.250 223 V C 0.252 176.466 176.094 0.200 0.000 1.058 223 V CA 2.725 65.218 62.300 0.321 0.000 1.022 223 V CB -1.278 30.809 31.823 0.439 0.000 0.640 223 V HN 0.236 8.426 8.190 -0.000 0.000 0.445 224 P HA -0.213 4.207 4.420 -0.000 0.000 0.216 224 P C 1.708 179.050 177.300 0.070 0.000 1.154 224 P CA 1.717 64.781 63.100 -0.061 0.000 0.865 224 P CB -0.135 31.502 31.700 -0.105 0.000 0.789 225 F N 0.586 120.562 119.950 0.044 0.000 2.075 225 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 225 F C 1.869 177.713 175.800 0.073 0.000 1.113 225 F CA 1.807 59.857 58.000 0.084 0.000 1.218 225 F CB -1.020 38.060 39.000 0.133 0.000 0.984 225 F HN -0.126 8.174 8.300 -0.000 0.000 0.472 226 N N 0.336 119.257 118.700 0.368 0.000 2.149 226 N HA -0.228 4.511 4.740 -0.001 0.000 0.188 226 N C 1.820 177.331 175.510 0.001 0.000 1.019 226 N CA 1.383 54.581 53.050 0.246 0.000 0.857 226 N CB -0.168 38.548 38.487 0.381 0.000 0.997 226 N HN 0.195 8.575 8.380 -0.000 0.000 0.426 227 I N 1.255 121.782 120.570 -0.071 0.000 2.264 227 I HA -0.214 3.955 4.170 -0.001 0.000 0.248 227 I C 2.392 178.277 176.117 -0.386 0.000 1.111 227 I CA 0.958 62.152 61.300 -0.176 0.000 1.382 227 I CB -1.451 36.409 38.000 -0.234 0.000 1.060 227 I HN 0.157 8.367 8.210 -0.000 0.000 0.418 228 A N 0.455 123.087 122.820 -0.315 0.000 1.898 228 A HA -0.110 4.210 4.320 -0.001 0.000 0.214 228 A C 2.531 179.998 177.584 -0.195 0.000 1.183 228 A CA 1.589 53.444 52.037 -0.302 0.000 0.622 228 A CB -0.653 18.271 19.000 -0.127 0.000 0.824 228 A HN 0.430 8.580 8.150 -0.000 0.000 0.444 229 S N -0.317 115.242 115.700 -0.235 0.000 2.414 229 S HA -0.269 4.201 4.470 -0.001 0.000 0.225 229 S C 1.792 176.240 174.600 -0.252 0.000 1.041 229 S CA 1.911 59.977 58.200 -0.224 0.000 1.114 229 S CB -1.017 62.101 63.200 -0.137 0.000 1.064 229 S HN 0.625 8.935 8.310 -0.000 0.000 0.420 230 Y N 1.856 121.953 120.300 -0.338 0.000 2.315 230 Y HA -0.080 4.469 4.550 -0.000 0.000 0.288 230 Y C 2.646 178.181 175.900 -0.608 0.000 1.154 230 Y CA 0.621 58.474 58.100 -0.410 0.000 1.229 230 Y CB -0.515 37.694 38.460 -0.417 0.000 0.980 230 Y HN 0.333 8.613 8.280 -0.000 0.000 0.540 231 A N -0.692 121.719 122.820 -0.681 0.000 2.066 231 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 231 A C 2.018 179.655 177.584 0.088 0.000 1.157 231 A CA 1.087 52.833 52.037 -0.485 0.000 0.670 231 A CB -0.602 17.965 19.000 -0.723 0.000 0.804 231 A HN 0.446 8.596 8.150 -0.000 0.000 0.453 232 L N -1.021 120.259 121.223 0.095 0.000 2.127 232 L HA 0.119 4.459 4.340 -0.001 0.000 0.203 232 L C 2.102 179.002 176.870 0.050 0.000 1.080 232 L CA 1.545 56.483 54.840 0.164 0.000 0.768 232 L CB -0.472 41.577 42.059 -0.016 0.000 0.924 232 L HN 0.306 8.536 8.230 -0.000 0.000 0.444 233 L N -0.970 120.226 121.223 -0.046 0.000 2.131 233 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 233 L C 2.150 179.097 176.870 0.128 0.000 1.092 233 L CA 2.185 57.011 54.840 -0.023 0.000 0.759 233 L CB -0.751 41.243 42.059 -0.108 0.000 0.903 233 L HN 0.293 8.523 8.230 -0.000 0.000 0.435 234 T N -1.616 113.051 114.554 0.188 0.000 2.770 234 T HA -0.169 4.181 4.350 -0.001 0.000 0.263 234 T C 1.601 176.431 174.700 0.217 0.000 1.039 234 T CA 1.597 63.866 62.100 0.281 0.000 1.142 234 T CB -0.409 68.593 68.868 0.223 0.000 0.868 234 T HN 0.363 8.603 8.240 -0.000 0.000 0.435 235 Y N 0.934 121.317 120.300 0.139 0.000 2.315 235 Y HA -0.069 4.480 4.550 -0.001 0.000 0.288 235 Y C 2.336 178.339 175.900 0.171 0.000 1.154 235 Y CA 1.201 59.399 58.100 0.165 0.000 1.229 235 Y CB -0.312 38.258 38.460 0.184 0.000 0.980 235 Y HN 0.219 8.499 8.280 -0.000 0.000 0.540 236 M N -1.433 118.318 119.600 0.252 0.000 2.191 236 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 236 M C 1.701 178.140 176.300 0.232 0.000 1.083 236 M CA 1.020 56.423 55.300 0.172 0.000 1.154 236 M CB -0.181 32.351 32.600 -0.114 0.000 1.344 236 M HN 0.082 8.372 8.290 -0.000 0.000 0.431 237 I N 0.757 121.394 120.570 0.112 0.000 2.700 237 I HA -0.174 3.996 4.170 -0.001 0.000 0.261 237 I C 2.470 178.620 176.117 0.055 0.000 1.219 237 I CA 1.101 62.414 61.300 0.022 0.000 1.463 237 I CB -1.626 36.254 38.000 -0.201 0.000 1.092 237 I HN 0.226 8.436 8.210 -0.000 0.000 0.452 238 A N -0.273 122.615 122.820 0.114 0.000 1.930 238 A HA -0.199 4.121 4.320 -0.001 0.000 0.215 238 A C 2.247 179.902 177.584 0.119 0.000 1.176 238 A CA 1.214 53.300 52.037 0.081 0.000 0.632 238 A CB -0.721 18.296 19.000 0.028 0.000 0.819 238 A HN 0.451 8.601 8.150 -0.000 0.000 0.445 239 H N -0.039 119.107 119.070 0.127 0.000 2.256 239 H HA -0.060 4.496 4.556 -0.001 0.000 0.299 239 H C 1.810 177.188 175.328 0.084 0.000 1.071 239 H CA 2.198 58.329 56.048 0.138 0.000 1.280 239 H CB -0.286 29.634 29.762 0.263 0.000 1.370 239 H HN 0.350 8.630 8.280 -0.000 0.000 0.490 240 I N 0.152 120.881 120.570 0.264 0.000 2.087 240 I HA -0.361 3.808 4.170 -0.001 0.000 0.240 240 I C 2.323 178.444 176.117 0.007 0.000 1.054 240 I CA 2.276 63.647 61.300 0.119 0.000 1.311 240 I CB -0.451 37.634 38.000 0.141 0.000 1.024 240 I HN 0.583 8.793 8.210 -0.000 0.000 0.402 241 T N -1.274 113.279 114.554 -0.000 0.000 3.163 241 T HA 0.149 4.499 4.350 -0.001 0.000 0.260 241 T C 1.397 176.070 174.700 -0.046 0.000 1.156 241 T CA 0.388 62.467 62.100 -0.035 0.000 1.072 241 T CB -0.430 68.409 68.868 -0.049 0.000 0.937 241 T HN 0.673 8.913 8.240 -0.000 0.000 0.528 242 G N 0.926 109.689 108.800 -0.062 0.000 2.249 242 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.273 242 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.273 242 G C -0.156 174.713 174.900 -0.052 0.000 1.036 242 G CA 0.446 45.498 45.100 -0.080 0.000 0.824 242 G HN 0.651 8.941 8.290 -0.000 0.000 0.504 243 L N -1.058 120.145 121.223 -0.033 0.000 2.331 243 L HA 0.698 5.038 4.340 -0.001 0.000 0.268 243 L C 0.590 177.448 176.870 -0.020 0.000 1.015 243 L CA -1.271 53.556 54.840 -0.021 0.000 0.807 243 L CB 1.414 43.467 42.059 -0.009 0.000 1.293 243 L HN 0.191 8.421 8.230 -0.000 0.000 0.451 244 K N 0.569 120.957 120.400 -0.020 0.000 2.206 244 K HA 0.488 4.808 4.320 -0.001 0.000 0.264 244 K C -2.680 173.884 176.600 -0.060 0.000 0.967 244 K CA -2.041 54.224 56.287 -0.036 0.000 0.844 244 K CB 0.961 33.451 32.500 -0.016 0.000 1.099 244 K HN 0.108 8.358 8.250 -0.000 0.000 0.441 245 P HA -0.112 4.308 4.420 -0.000 0.000 0.260 245 P C 0.012 177.266 177.300 -0.076 0.000 1.185 245 P CA 0.459 63.431 63.100 -0.213 0.000 0.763 245 P CB 0.824 32.140 31.700 -0.639 0.000 0.776 246 G N 3.065 111.868 108.800 0.005 0.000 2.992 246 G HA2 0.126 4.086 3.960 -0.001 0.000 0.195 246 G HA3 0.126 4.086 3.960 -0.001 0.000 0.195 246 G C -0.415 174.524 174.900 0.065 0.000 2.032 246 G CA 0.055 45.184 45.100 0.049 0.000 0.831 246 G HN 0.349 8.639 8.290 -0.000 0.000 0.647 247 D N -0.711 119.739 120.400 0.082 0.000 2.340 247 D HA 0.484 5.124 4.640 -0.001 0.000 0.240 247 D C -1.616 174.777 176.300 0.155 0.000 1.001 247 D CA -0.305 53.749 54.000 0.091 0.000 0.888 247 D CB 2.567 43.379 40.800 0.020 0.000 1.310 247 D HN 0.056 8.426 8.370 -0.000 0.000 0.474 248 F N 2.167 122.142 119.950 0.041 0.000 2.460 248 F HA 0.451 4.978 4.527 -0.000 0.000 0.341 248 F C -1.305 174.545 175.800 0.084 0.000 1.130 248 F CA -0.918 57.110 58.000 0.047 0.000 0.962 248 F CB 0.428 39.461 39.000 0.055 0.000 1.171 248 F HN 0.070 8.370 8.300 -0.000 0.000 0.436 249 I N 5.983 126.157 120.570 -0.661 0.000 2.336 249 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 249 I C -0.278 175.382 176.117 -0.761 0.000 0.991 249 I CA -0.395 60.553 61.300 -0.586 0.000 1.227 249 I CB 1.195 38.998 38.000 -0.329 0.000 1.366 249 I HN 0.596 8.806 8.210 -0.000 0.000 0.466 250 H N 5.079 123.765 119.070 -0.640 0.000 2.556 250 H HA 0.475 5.031 4.556 -0.000 0.000 0.310 250 H C -0.956 174.229 175.328 -0.239 0.000 1.057 250 H CA -0.483 55.324 56.048 -0.402 0.000 1.264 250 H CB 0.818 30.525 29.762 -0.093 0.000 1.404 250 H HN 0.601 8.881 8.280 -0.000 0.000 0.462 251 T N 6.620 121.074 114.554 -0.166 0.000 2.797 251 T HA 0.334 4.684 4.350 -0.001 0.000 0.279 251 T C -0.164 174.207 174.700 -0.550 0.000 0.991 251 T CA -0.625 61.277 62.100 -0.329 0.000 0.979 251 T CB 1.111 69.870 68.868 -0.182 0.000 0.943 251 T HN 0.429 8.668 8.240 -0.000 0.000 0.444 252 L N 1.461 122.344 121.223 -0.567 0.000 2.319 252 L HA 0.699 5.039 4.340 -0.001 0.000 0.267 252 L C 1.195 177.777 176.870 -0.480 0.000 1.011 252 L CA -0.571 53.950 54.840 -0.532 0.000 0.818 252 L CB 1.933 43.753 42.059 -0.400 0.000 1.316 252 L HN 0.843 9.073 8.230 -0.000 0.000 0.432 253 G N -0.664 107.942 108.800 -0.323 0.000 2.764 253 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.218 253 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.218 253 G C -0.202 174.846 174.900 0.247 0.000 1.304 253 G CA 0.122 45.191 45.100 -0.052 0.000 0.847 253 G HN 0.531 8.821 8.290 -0.000 0.000 0.610 254 D N 1.562 122.090 120.400 0.213 0.000 2.454 254 D HA 0.553 5.192 4.640 -0.001 0.000 0.225 254 D C -0.436 176.021 176.300 0.263 0.000 1.081 254 D CA -0.300 53.856 54.000 0.259 0.000 0.864 254 D CB 1.095 41.996 40.800 0.169 0.000 1.040 254 D HN 0.211 8.581 8.370 -0.000 0.000 0.517 255 A N 5.130 128.048 122.820 0.164 0.000 2.252 255 A HA 0.542 4.862 4.320 -0.001 0.000 0.309 255 A C -0.425 177.209 177.584 0.083 0.000 1.285 255 A CA -0.413 51.649 52.037 0.042 0.000 0.900 255 A CB 0.415 19.410 19.000 -0.007 0.000 1.157 255 A HN 0.719 8.869 8.150 -0.000 0.000 0.536 256 H N 0.633 119.667 119.070 -0.060 0.000 3.079 256 H HA 0.593 5.149 4.556 -0.000 0.000 0.356 256 H C -1.616 173.626 175.328 -0.143 0.000 1.221 256 H CA -1.095 54.889 56.048 -0.106 0.000 1.185 256 H CB 0.920 30.595 29.762 -0.145 0.000 1.882 256 H HN 0.612 8.892 8.280 -0.000 0.000 0.543 257 I N -0.009 120.510 120.570 -0.084 0.000 2.418 257 I HA 0.353 4.523 4.170 -0.001 0.000 0.287 257 I C -0.875 175.227 176.117 -0.026 0.000 1.008 257 I CA -1.214 60.048 61.300 -0.063 0.000 1.104 257 I CB 1.119 39.129 38.000 0.017 0.000 1.264 257 I HN 0.268 8.478 8.210 -0.000 0.000 0.438 258 Y N 4.688 125.027 120.300 0.064 0.000 2.788 258 Y HA 0.035 4.585 4.550 -0.001 0.000 0.341 258 Y C 1.473 177.301 175.900 -0.120 0.000 1.258 258 Y CA -0.032 58.028 58.100 -0.066 0.000 1.503 258 Y CB 0.527 38.850 38.460 -0.229 0.000 1.325 258 Y HN 0.603 8.883 8.280 -0.000 0.000 0.614 259 L N 1.499 122.782 121.223 0.100 0.000 2.261 259 L HA -0.262 4.078 4.340 -0.001 0.000 0.216 259 L C 1.368 178.227 176.870 -0.019 0.000 1.114 259 L CA 0.990 55.847 54.840 0.028 0.000 0.777 259 L CB -0.364 41.710 42.059 0.025 0.000 0.910 259 L HN 0.649 8.879 8.230 -0.000 0.000 0.440 260 N N -0.862 117.775 118.700 -0.104 0.000 2.309 260 N HA -0.134 4.606 4.740 -0.001 0.000 0.182 260 N C 1.531 177.007 175.510 -0.058 0.000 1.018 260 N CA 1.043 54.007 53.050 -0.144 0.000 0.876 260 N CB -0.275 38.053 38.487 -0.265 0.000 0.972 260 N HN 0.430 8.810 8.380 -0.000 0.000 0.434 261 H N -0.223 118.904 119.070 0.096 0.000 2.586 261 H HA 0.242 4.798 4.556 -0.000 0.000 0.273 261 H C 1.630 176.986 175.328 0.048 0.000 0.997 261 H CA -0.339 55.753 56.048 0.073 0.000 1.177 261 H CB 0.390 30.207 29.762 0.092 0.000 1.471 261 H HN 0.070 8.350 8.280 -0.000 0.000 0.538 262 I N 1.072 121.710 120.570 0.114 0.000 2.151 262 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 262 I C 2.441 178.591 176.117 0.056 0.000 1.080 262 I CA 1.346 62.686 61.300 0.067 0.000 1.339 262 I CB -0.733 37.287 38.000 0.034 0.000 1.039 262 I HN 0.171 8.381 8.210 -0.000 0.000 0.409 263 E N 1.502 121.735 120.200 0.055 0.000 2.007 263 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 263 E C -0.445 176.181 176.600 0.044 0.000 0.999 263 E CA 1.663 58.087 56.400 0.040 0.000 0.811 263 E CB -1.477 28.244 29.700 0.035 0.000 0.762 263 E HN 0.259 8.619 8.360 -0.000 0.000 0.450 264 P HA -0.203 4.217 4.420 -0.000 0.000 0.216 264 P C 1.553 178.878 177.300 0.041 0.000 1.157 264 P CA 1.474 64.605 63.100 0.052 0.000 0.880 264 P CB -0.135 31.608 31.700 0.071 0.000 0.791 265 L N -0.611 120.647 121.223 0.058 0.000 2.081 265 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 265 L C 2.723 179.601 176.870 0.013 0.000 1.080 265 L CA 1.845 56.708 54.840 0.039 0.000 0.754 265 L CB -0.881 41.205 42.059 0.045 0.000 0.893 265 L HN -0.006 8.224 8.230 -0.000 0.000 0.433 266 K N -0.045 120.363 120.400 0.012 0.000 2.097 266 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 266 K C 1.999 178.594 176.600 -0.009 0.000 1.049 266 K CA 1.168 57.455 56.287 -0.001 0.000 0.933 266 K CB -0.103 32.398 32.500 0.002 0.000 0.717 266 K HN 0.271 8.521 8.250 -0.000 0.000 0.442 267 I N 0.902 121.469 120.570 -0.005 0.000 2.133 267 I HA -0.294 3.876 4.170 -0.001 0.000 0.238 267 I C 2.797 178.891 176.117 -0.038 0.000 1.074 267 I CA 1.219 62.508 61.300 -0.018 0.000 1.342 267 I CB -0.353 37.642 38.000 -0.009 0.000 1.053 267 I HN 0.256 8.466 8.210 -0.000 0.000 0.404 268 Q N 1.268 121.051 119.800 -0.028 0.000 2.096 268 Q HA -0.261 4.079 4.340 -0.001 0.000 0.208 268 Q C 2.397 178.363 176.000 -0.056 0.000 0.993 268 Q CA 1.977 57.755 55.803 -0.042 0.000 0.862 268 Q CB -0.221 28.527 28.738 0.016 0.000 0.915 268 Q HN 0.487 8.757 8.270 -0.000 0.000 0.416 269 L N 0.191 121.396 121.223 -0.029 0.000 2.137 269 L HA -0.289 4.051 4.340 -0.001 0.000 0.213 269 L C 2.603 179.443 176.870 -0.049 0.000 1.085 269 L CA 1.573 56.394 54.840 -0.031 0.000 0.760 269 L CB -0.368 41.675 42.059 -0.027 0.000 0.893 269 L HN 0.438 8.668 8.230 -0.000 0.000 0.434 270 Q N -0.364 119.400 119.800 -0.060 0.000 2.137 270 Q HA -0.069 4.270 4.340 -0.001 0.000 0.198 270 Q C 0.483 176.424 176.000 -0.098 0.000 0.960 270 Q CA 0.417 56.182 55.803 -0.064 0.000 0.847 270 Q CB 0.234 28.941 28.738 -0.051 0.000 0.915 270 Q HN 0.409 8.679 8.270 -0.000 0.000 0.448 271 R N 2.525 122.923 120.500 -0.171 0.000 2.484 271 R HA -0.009 4.331 4.340 -0.001 0.000 0.293 271 R C -0.448 175.724 176.300 -0.212 0.000 1.023 271 R CA 0.173 56.096 56.100 -0.295 0.000 1.037 271 R CB 0.117 30.004 30.300 -0.690 0.000 0.951 271 R HN 0.197 8.467 8.270 -0.000 0.000 0.418 272 E N 5.276 125.418 120.200 -0.098 0.000 2.344 272 E HA 0.106 4.455 4.350 -0.001 0.000 0.270 272 E C -2.025 174.578 176.600 0.005 0.000 1.021 272 E CA -1.905 54.471 56.400 -0.041 0.000 0.887 272 E CB 0.147 29.844 29.700 -0.005 0.000 0.997 272 E HN 0.341 8.701 8.360 -0.000 0.000 0.429 273 P HA -0.008 4.412 4.420 -0.000 0.000 0.269 273 P C -0.753 176.415 177.300 -0.219 0.000 1.209 273 P CA 0.050 62.976 63.100 -0.290 0.000 0.776 273 P CB 0.691 31.937 31.700 -0.757 0.000 0.876 274 R N 3.119 123.549 120.500 -0.117 0.000 2.474 274 R HA 0.423 4.762 4.340 -0.001 0.000 0.295 274 R C -2.257 174.144 176.300 0.169 0.000 0.980 274 R CA -2.352 53.748 56.100 -0.000 0.000 0.934 274 R CB 0.052 30.287 30.300 -0.109 0.000 1.101 274 R HN 0.329 8.599 8.270 -0.000 0.000 0.469 275 P HA -0.163 4.257 4.420 -0.000 0.000 0.255 275 P C -0.600 176.730 177.300 0.051 0.000 1.161 275 P CA 0.552 63.645 63.100 -0.012 0.000 0.768 275 P CB 0.077 31.774 31.700 -0.006 0.000 0.746 276 F N 5.837 125.827 119.950 0.066 0.000 2.623 276 F HA -0.038 4.488 4.527 -0.001 0.000 0.381 276 F C -0.800 175.058 175.800 0.096 0.000 1.081 276 F CA -1.030 57.032 58.000 0.105 0.000 1.293 276 F CB -0.969 38.061 39.000 0.050 0.000 1.006 276 F HN 0.349 8.649 8.300 -0.000 0.000 0.578 277 P HA 0.071 4.491 4.420 -0.000 0.000 0.282 277 P C -0.995 176.387 177.300 0.137 0.000 1.286 277 P CA -0.323 62.904 63.100 0.212 0.000 0.777 277 P CB 0.840 32.677 31.700 0.227 0.000 1.184 278 K N -0.137 120.280 120.400 0.028 0.000 2.259 278 K HA 0.510 4.830 4.320 -0.001 0.000 0.252 278 K C -0.697 175.796 176.600 -0.179 0.000 0.936 278 K CA -0.985 55.296 56.287 -0.010 0.000 0.810 278 K CB 1.610 34.120 32.500 0.016 0.000 1.143 278 K HN 0.295 8.545 8.250 -0.000 0.000 0.427 279 L N 2.446 123.504 121.223 -0.276 0.000 2.296 279 L HA 0.359 4.698 4.340 -0.001 0.000 0.286 279 L C -0.580 176.154 176.870 -0.227 0.000 1.023 279 L CA -0.273 54.276 54.840 -0.484 0.000 0.812 279 L CB 0.987 42.441 42.059 -1.010 0.000 1.223 279 L HN 0.398 8.628 8.230 -0.000 0.000 0.421 280 R N 6.476 126.885 120.500 -0.151 0.000 2.280 280 R HA 0.433 4.773 4.340 -0.001 0.000 0.326 280 R C -0.811 175.464 176.300 -0.042 0.000 1.080 280 R CA -0.426 55.645 56.100 -0.049 0.000 1.002 280 R CB 0.351 30.627 30.300 -0.039 0.000 1.136 280 R HN 0.681 8.951 8.270 -0.000 0.000 0.509 281 I N 5.144 125.704 120.570 -0.016 0.000 2.471 281 I HA -0.014 4.156 4.170 -0.001 0.000 0.286 281 I C 1.733 177.778 176.117 -0.119 0.000 1.079 281 I CA -0.079 61.123 61.300 -0.164 0.000 1.398 281 I CB 0.851 38.757 38.000 -0.156 0.000 1.403 281 I HN 0.371 8.581 8.210 -0.000 0.000 0.530 282 L N 5.933 127.042 121.223 -0.190 0.000 2.046 282 L HA 0.082 4.422 4.340 -0.001 0.000 0.203 282 L C 1.163 177.984 176.870 -0.082 0.000 1.111 282 L CA 0.476 55.250 54.840 -0.110 0.000 0.769 282 L CB -0.516 41.478 42.059 -0.109 0.000 0.914 282 L HN 0.620 8.851 8.230 -0.000 0.000 0.448 283 R N 1.743 122.167 120.500 -0.128 0.000 2.357 283 R HA 0.232 4.572 4.340 -0.001 0.000 0.296 283 R C 0.043 176.290 176.300 -0.088 0.000 1.052 283 R CA -0.698 55.348 56.100 -0.090 0.000 0.988 283 R CB 1.060 31.299 30.300 -0.102 0.000 1.025 283 R HN -0.004 8.266 8.270 -0.000 0.000 0.469 284 K N 2.476 122.899 120.400 0.039 0.000 2.455 284 K HA 0.017 4.337 4.320 -0.001 0.000 0.269 284 K C -1.029 175.593 176.600 0.036 0.000 0.972 284 K CA 0.113 56.533 56.287 0.223 0.000 0.938 284 K CB 0.680 33.223 32.500 0.072 0.000 0.931 284 K HN 0.480 8.730 8.250 -0.000 0.000 0.507 285 V N 2.620 122.585 119.914 0.084 0.000 2.932 285 V HA 0.144 4.263 4.120 -0.001 0.000 0.307 285 V C 0.208 176.243 176.094 -0.098 0.000 1.147 285 V CA -0.615 61.561 62.300 -0.206 0.000 0.951 285 V CB 2.046 33.424 31.823 -0.741 0.000 1.031 285 V HN 0.942 9.132 8.190 -0.000 0.000 0.426 286 E N 1.787 121.913 120.200 -0.123 0.000 2.256 286 E HA 0.239 4.589 4.350 -0.001 0.000 0.198 286 E C 0.290 176.853 176.600 -0.063 0.000 0.908 286 E CA -0.052 56.305 56.400 -0.072 0.000 0.915 286 E CB 0.896 30.559 29.700 -0.062 0.000 0.890 286 E HN 0.400 8.760 8.360 -0.000 0.000 0.484 287 K N 1.376 121.726 120.400 -0.084 0.000 2.293 287 K HA 0.178 4.498 4.320 -0.001 0.000 0.267 287 K C 0.502 177.078 176.600 -0.041 0.000 1.010 287 K CA -0.301 55.959 56.287 -0.045 0.000 0.875 287 K CB 1.454 33.934 32.500 -0.033 0.000 1.106 287 K HN -0.040 8.210 8.250 -0.000 0.000 0.450 288 I N 3.813 124.410 120.570 0.045 0.000 2.229 288 I HA -0.329 3.841 4.170 -0.001 0.000 0.250 288 I C 0.738 176.997 176.117 0.238 0.000 1.096 288 I CA 2.139 63.559 61.300 0.200 0.000 1.358 288 I CB 0.019 38.124 38.000 0.174 0.000 1.047 288 I HN 0.699 8.909 8.210 -0.000 0.000 0.422 289 D N -0.362 120.109 120.400 0.119 0.000 2.264 289 D HA -0.135 4.504 4.640 -0.001 0.000 0.208 289 D C 1.004 177.363 176.300 0.098 0.000 0.966 289 D CA 1.258 55.327 54.000 0.114 0.000 0.864 289 D CB -0.325 40.518 40.800 0.072 0.000 0.933 289 D HN 0.475 8.845 8.370 -0.000 0.000 0.499 290 D N -0.694 119.722 120.400 0.026 0.000 3.057 290 D HA 0.096 4.736 4.640 -0.001 0.000 0.246 290 D C -1.051 175.203 176.300 -0.077 0.000 1.238 290 D CA -0.231 53.756 54.000 -0.022 0.000 0.949 290 D CB -0.248 40.510 40.800 -0.071 0.000 1.086 290 D HN -0.078 8.292 8.370 -0.000 0.000 0.487 291 F N 1.771 121.734 119.950 0.020 0.000 2.388 291 F HA 0.348 4.874 4.527 -0.000 0.000 0.358 291 F C 0.055 175.883 175.800 0.047 0.000 1.122 291 F CA -0.972 57.045 58.000 0.028 0.000 1.056 291 F CB 0.909 39.975 39.000 0.111 0.000 1.155 291 F HN -0.225 8.075 8.300 -0.000 0.000 0.461 292 K N 3.919 124.458 120.400 0.232 0.000 2.183 292 K HA 0.464 4.784 4.320 -0.001 0.000 0.274 292 K C 0.807 177.537 176.600 0.216 0.000 1.009 292 K CA -0.211 56.167 56.287 0.151 0.000 0.888 292 K CB 1.365 33.894 32.500 0.049 0.000 1.078 292 K HN 0.656 8.906 8.250 -0.000 0.000 0.459 293 A N 3.048 125.971 122.820 0.171 0.000 2.009 293 A HA -0.258 4.062 4.320 -0.001 0.000 0.222 293 A C 1.779 179.487 177.584 0.206 0.000 1.175 293 A CA 1.908 54.051 52.037 0.177 0.000 0.651 293 A CB -0.349 18.648 19.000 -0.005 0.000 0.815 293 A HN 0.798 8.948 8.150 -0.000 0.000 0.459 294 E N 0.169 120.429 120.200 0.100 0.000 2.204 294 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 294 E C 1.252 177.866 176.600 0.023 0.000 0.990 294 E CA 1.120 57.555 56.400 0.059 0.000 0.821 294 E CB -0.220 29.491 29.700 0.019 0.000 0.750 294 E HN 0.581 8.941 8.360 -0.000 0.000 0.477 295 D N -0.602 119.774 120.400 -0.041 0.000 2.311 295 D HA -0.113 4.527 4.640 -0.001 0.000 0.212 295 D C -0.121 175.901 176.300 -0.464 0.000 0.972 295 D CA 0.852 54.689 54.000 -0.271 0.000 0.887 295 D CB -0.043 40.542 40.800 -0.358 0.000 0.915 295 D HN 0.128 8.498 8.370 -0.000 0.000 0.497 296 F N -0.251 119.715 119.950 0.027 0.000 2.497 296 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 296 F C 0.524 176.333 175.800 0.014 0.000 1.060 296 F CA -0.924 57.083 58.000 0.012 0.000 0.989 296 F CB 1.288 40.328 39.000 0.068 0.000 1.245 296 F HN -0.407 7.893 8.300 -0.000 0.000 0.486 297 Q N 2.260 122.134 119.800 0.124 0.000 2.371 297 Q HA 0.316 4.656 4.340 -0.001 0.000 0.244 297 Q C -1.856 174.037 176.000 -0.178 0.000 0.882 297 Q CA -0.429 55.377 55.803 0.006 0.000 0.866 297 Q CB 1.554 30.286 28.738 -0.010 0.000 1.399 297 Q HN 0.503 8.773 8.270 -0.000 0.000 0.432 298 I N 3.952 124.323 120.570 -0.330 0.000 2.474 298 I HA 0.232 4.401 4.170 -0.001 0.000 0.287 298 I C 0.274 176.243 176.117 -0.247 0.000 1.048 298 I CA 0.266 61.248 61.300 -0.529 0.000 1.383 298 I CB 1.018 38.467 38.000 -0.918 0.000 1.412 298 I HN 0.651 8.861 8.210 -0.000 0.000 0.531 299 E N 3.424 123.521 120.200 -0.172 0.000 2.292 299 E HA 0.591 4.941 4.350 -0.001 0.000 0.272 299 E C 0.343 176.941 176.600 -0.003 0.000 0.881 299 E CA -0.779 55.584 56.400 -0.062 0.000 0.754 299 E CB 2.078 31.749 29.700 -0.048 0.000 1.201 299 E HN 0.753 9.113 8.360 -0.000 0.000 0.425 300 G N 1.690 110.505 108.800 0.025 0.000 2.176 300 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.253 300 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.253 300 G C -0.288 174.657 174.900 0.075 0.000 0.979 300 G CA 0.189 45.313 45.100 0.041 0.000 0.641 300 G HN 0.600 8.890 8.290 -0.000 0.000 0.530 301 Y N 2.002 122.273 120.300 -0.048 0.000 2.729 301 Y HA 0.354 4.903 4.550 -0.001 0.000 0.331 301 Y C 0.737 176.621 175.900 -0.027 0.000 1.208 301 Y CA 0.445 58.524 58.100 -0.035 0.000 1.521 301 Y CB 0.199 38.619 38.460 -0.067 0.000 1.233 301 Y HN 0.295 8.575 8.280 -0.000 0.000 0.539 302 N N 8.334 126.761 118.700 -0.454 0.000 2.722 302 N HA 0.229 4.968 4.740 -0.001 0.000 0.242 302 N C -3.096 172.091 175.510 -0.538 0.000 1.398 302 N CA -1.450 51.368 53.050 -0.385 0.000 0.755 302 N CB 0.953 39.313 38.487 -0.212 0.000 1.268 302 N HN 0.320 8.700 8.380 -0.000 0.000 0.522 303 P HA 0.109 4.529 4.420 -0.000 0.000 0.277 303 P C -0.726 176.375 177.300 -0.332 0.000 1.276 303 P CA 0.001 62.798 63.100 -0.506 0.000 0.788 303 P CB 0.996 32.441 31.700 -0.425 0.000 1.114 304 H N 0.156 119.162 119.070 -0.107 0.000 2.582 304 H HA 0.209 4.765 4.556 -0.000 0.000 0.345 304 H C -1.479 173.829 175.328 -0.033 0.000 1.104 304 H CA -1.009 55.004 56.048 -0.059 0.000 1.390 304 H CB 0.136 29.875 29.762 -0.038 0.000 1.461 304 H HN 0.401 8.681 8.280 -0.000 0.000 0.551 305 P HA -0.061 4.359 4.420 -0.000 0.000 0.272 305 P C 0.122 177.458 177.300 0.059 0.000 1.248 305 P CA -0.283 62.849 63.100 0.053 0.000 0.799 305 P CB 0.433 32.158 31.700 0.042 0.000 0.997 306 T N 1.194 115.772 114.554 0.040 0.000 2.870 306 T HA 0.268 4.618 4.350 -0.001 0.000 0.300 306 T C 0.163 174.881 174.700 0.029 0.000 0.989 306 T CA 0.143 62.263 62.100 0.033 0.000 1.139 306 T CB -0.381 68.501 68.868 0.023 0.000 0.920 306 T HN 0.221 8.461 8.240 -0.000 0.000 0.537 307 I N 4.004 124.590 120.570 0.026 0.000 2.509 307 I HA 0.538 4.708 4.170 -0.001 0.000 0.293 307 I C -0.246 175.884 176.117 0.022 0.000 1.020 307 I CA -0.864 60.449 61.300 0.021 0.000 1.088 307 I CB 1.796 39.805 38.000 0.015 0.000 1.267 307 I HN 0.590 8.800 8.210 -0.000 0.000 0.430 308 K N 0.000 120.413 120.400 0.021 0.000 2.780 308 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 308 K CA 0.000 56.302 56.287 0.026 0.000 0.838 308 K CB 0.000 32.513 32.500 0.021 0.000 1.064 308 K HN 0.000 8.250 8.250 -0.000 0.000 0.543