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 2ks9_1_A DATA FIRST_RESID 2 DATA SEQUENCE DNVLPVDSDL SPNISTNTSE PNQFVQPAWQ IVLWAAAYTV IVVTSVVGNV DATA SEQUENCE VVMWIILAHK RMRTVTNYFL VNLAFAEASM AAFNTVVNFT YAVHNEWYYG DATA SEQUENCE LFYcKFHNFF PIAAVFASIY SMTAVAFDRY MAIIHPLQPR LSATATKVVI DATA SEQUENCE CVIWVLALLL AFPQGYYSTT ETMPSRVVcM IEWPEHPNKI YEKVYHICVT DATA SEQUENCE VLIYFLPLLV IGYAYTVVGI TLWASEIPGD SSDRYHEQVS AKRKVVKMMI DATA SEQUENCE VVVCTFAICW LPFHIFFLLP YINPDLYLKK FIQQVYLAIM WLAMSSTMYN DATA SEQUENCE PIIYCCLNDR FRLGFKHAFR CCPFISAGDY EGLEMKSTRY LQTQGSVYKV DATA SEQUENCE SRLETTISTV VGA 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 2 D HA 0.000 4.685 4.640 0.075 0.000 0.175 2 D C 0.000 176.351 176.300 0.085 0.000 2.045 2 D CA 0.000 54.049 54.000 0.082 0.000 0.868 2 D CB 0.000 40.879 40.800 0.132 0.000 0.688 3 N N 0.101 118.831 118.700 0.051 0.000 2.404 3 N HA 0.214 5.013 4.740 0.098 0.000 0.297 3 N C -0.009 175.518 175.510 0.027 0.000 1.163 3 N CA -0.641 52.438 53.050 0.048 0.000 0.864 3 N CB 2.738 41.218 38.487 -0.012 0.000 1.247 3 N HN -0.822 7.688 8.380 0.028 -0.113 0.510 4 V N -3.050 116.886 119.914 0.037 0.000 3.204 4 V HA 0.409 4.528 4.120 -0.001 0.000 0.308 4 V C -1.115 174.990 176.094 0.019 0.000 1.324 4 V CA -2.877 59.433 62.300 0.017 0.000 1.042 4 V CB 2.563 34.397 31.823 0.018 0.000 1.167 4 V HN 0.436 8.666 8.190 0.066 0.000 0.478 5 L N -3.381 117.850 121.223 0.013 0.000 2.083 5 L HA 0.014 4.343 4.340 -0.018 0.000 0.209 5 L C -1.049 175.841 176.870 0.032 0.000 1.083 5 L CA 2.502 57.345 54.840 0.005 0.000 0.752 5 L CB -2.134 39.925 42.059 0.001 0.000 0.899 5 L HN 0.163 8.399 8.230 0.010 0.000 0.433 6 P HA 0.064 4.531 4.420 0.079 0.000 0.278 6 P C 0.165 177.551 177.300 0.144 0.000 1.266 6 P CA -1.436 61.732 63.100 0.113 0.000 0.807 6 P CB 0.987 32.801 31.700 0.191 0.000 1.094 7 V N -1.961 118.062 119.914 0.182 0.000 2.594 7 V HA -0.317 4.179 4.120 0.421 -0.124 0.253 7 V C 0.269 176.508 176.094 0.241 0.000 1.069 7 V CA 2.714 65.191 62.300 0.294 0.000 1.082 7 V CB 0.348 32.308 31.823 0.228 0.000 0.680 7 V HN 0.589 8.861 8.190 0.137 0.000 0.469 8 D N -2.688 117.834 120.400 0.205 0.000 2.329 8 D HA 0.008 4.748 4.640 0.167 0.000 0.246 8 D C -1.037 175.342 176.300 0.133 0.000 1.111 8 D CA -0.683 53.432 54.000 0.192 0.000 0.941 8 D CB 1.817 42.794 40.800 0.294 0.000 1.169 8 D HN -0.427 8.044 8.370 0.221 0.032 0.441 9 S N -0.892 114.862 115.700 0.090 0.000 2.601 9 S HA -0.079 4.431 4.470 0.044 -0.014 0.271 9 S C -0.504 174.093 174.600 -0.005 0.000 1.305 9 S CA 0.061 58.287 58.200 0.043 0.000 1.022 9 S CB 1.682 64.903 63.200 0.035 0.000 0.940 9 S HN -0.001 8.366 8.310 0.095 0.000 0.525 10 D N 1.123 121.506 120.400 -0.028 0.000 3.163 10 D HA 0.084 4.666 4.640 -0.123 -0.016 0.284 10 D C -0.395 175.871 176.300 -0.057 0.000 1.368 10 D CA -1.801 52.155 54.000 -0.074 0.000 0.895 10 D CB -1.595 39.158 40.800 -0.077 0.000 1.061 10 D HN 0.178 8.540 8.370 -0.013 0.000 0.496 11 L N -0.846 120.353 121.223 -0.040 0.000 2.017 11 L HA -0.182 4.145 4.340 -0.022 0.000 0.208 11 L C -0.032 176.813 176.870 -0.041 0.000 1.073 11 L CA 1.918 56.740 54.840 -0.029 0.000 0.745 11 L CB 0.480 42.529 42.059 -0.016 0.000 0.894 11 L HN -0.671 7.462 8.230 -0.031 0.078 0.432 12 S N -2.055 113.609 115.700 -0.060 0.000 2.652 12 S HA 0.209 4.648 4.470 -0.050 0.000 0.270 12 S C -1.778 172.763 174.600 -0.099 0.000 1.243 12 S CA -1.948 56.210 58.200 -0.070 0.000 0.999 12 S CB 0.568 63.721 63.200 -0.078 0.000 0.973 12 S HN -0.309 7.962 8.310 -0.064 0.000 0.544 13 P HA 0.071 4.434 4.420 -0.094 0.000 0.249 13 P C -1.335 175.870 177.300 -0.158 0.000 1.241 13 P CA 0.217 63.257 63.100 -0.100 0.000 0.781 13 P CB 0.076 31.738 31.700 -0.065 0.000 1.088 14 N N -2.393 116.171 118.700 -0.226 0.000 2.104 14 N HA -0.190 4.420 4.740 -0.217 0.000 0.190 14 N C 0.743 175.874 175.510 -0.631 0.000 1.024 14 N CA 1.051 53.889 53.050 -0.353 0.000 0.853 14 N CB -0.125 38.134 38.487 -0.381 0.000 1.008 14 N HN -0.192 7.941 8.380 -0.192 0.131 0.424 15 I N -4.778 115.363 120.570 -0.715 0.000 2.845 15 I HA -0.059 3.153 4.170 -1.597 0.000 0.296 15 I C -0.767 175.198 176.117 -0.254 0.000 1.216 15 I CA 0.523 61.398 61.300 -0.709 0.000 1.438 15 I CB 0.264 38.090 38.000 -0.290 0.000 1.342 15 I HN -0.606 7.300 8.210 -0.507 0.000 0.577 16 S N 5.312 121.019 115.700 0.012 0.000 2.588 16 S HA 0.146 4.638 4.470 0.037 0.000 0.275 16 S C -0.579 174.127 174.600 0.176 0.000 1.130 16 S CA -1.958 56.305 58.200 0.105 0.000 0.855 16 S CB 1.265 64.549 63.200 0.139 0.000 1.116 16 S HN -0.164 8.285 8.310 0.232 0.000 0.472 17 T N 2.695 117.321 114.554 0.119 0.000 2.930 17 T HA -0.015 4.403 4.350 0.113 0.000 0.306 17 T C 1.165 175.957 174.700 0.153 0.000 1.045 17 T CA 0.474 62.645 62.100 0.118 0.000 1.134 17 T CB 1.299 70.220 68.868 0.088 0.000 0.961 17 T HN 0.170 8.462 8.240 0.087 0.000 0.545 18 N N 8.014 126.804 118.700 0.150 0.000 2.289 18 N HA -0.186 4.832 4.740 0.174 -0.174 0.184 18 N C 1.544 177.213 175.510 0.265 0.000 1.016 18 N CA 3.177 56.331 53.050 0.173 0.000 0.872 18 N CB 0.208 38.749 38.487 0.089 0.000 0.973 18 N HN 0.613 9.064 8.380 0.119 0.000 0.433 19 T N 1.355 116.055 114.554 0.243 0.000 2.812 19 T HA -0.165 4.597 4.350 0.369 -0.190 0.264 19 T C 1.071 175.831 174.700 0.100 0.000 1.042 19 T CA 4.682 66.925 62.100 0.239 0.000 1.140 19 T CB 0.048 69.036 68.868 0.200 0.000 0.870 19 T HN -0.558 7.761 8.240 0.187 0.032 0.445 20 S N -1.086 114.668 115.700 0.091 0.000 2.388 20 S HA -0.109 4.355 4.470 -0.010 0.000 0.223 20 S C 0.217 174.863 174.600 0.076 0.000 1.034 20 S CA 2.138 60.368 58.200 0.049 0.000 0.963 20 S CB 0.642 63.874 63.200 0.052 0.000 0.827 20 S HN -0.574 7.689 8.310 0.116 0.117 0.481 21 E N -1.423 118.855 120.200 0.129 0.000 2.458 21 E HA 0.374 4.802 4.350 0.129 0.000 0.278 21 E C -2.229 174.473 176.600 0.171 0.000 1.004 21 E CA -2.873 53.613 56.400 0.143 0.000 0.823 21 E CB 1.475 31.258 29.700 0.139 0.000 1.396 21 E HN -0.338 8.113 8.360 0.151 0.000 0.463 22 P HA -0.049 4.457 4.420 0.140 -0.003 0.228 22 P C -1.098 176.215 177.300 0.021 0.000 1.151 22 P CA 1.000 64.164 63.100 0.107 0.000 0.770 22 P CB 0.219 31.961 31.700 0.070 0.000 0.786 23 N N -7.229 111.436 118.700 -0.058 0.000 2.753 23 N HA -0.491 3.554 4.740 -1.158 0.000 0.251 23 N C 0.581 175.738 175.510 -0.588 0.000 1.097 23 N CA 1.502 54.244 53.050 -0.514 0.000 0.786 23 N CB -1.506 36.822 38.487 -0.265 0.000 1.137 23 N HN 0.483 8.943 8.380 0.133 0.000 0.566 24 Q N -4.212 115.421 119.800 -0.279 0.000 2.224 24 Q HA -0.317 3.907 4.340 -0.194 0.000 0.203 24 Q C 1.073 176.970 176.000 -0.171 0.000 0.970 24 Q CA 2.390 58.091 55.803 -0.170 0.000 0.865 24 Q CB 0.041 28.763 28.738 -0.027 0.000 0.922 24 Q HN 0.388 8.551 8.270 -0.102 0.046 0.445 25 F N -6.015 113.930 119.950 -0.007 0.000 2.293 25 F HA -0.150 4.372 4.527 -0.007 0.000 0.300 25 F C 0.530 176.317 175.800 -0.022 0.000 1.086 25 F CA 0.692 58.687 58.000 -0.008 0.000 1.375 25 F CB -0.861 38.140 39.000 0.002 0.000 1.045 25 F HN -0.478 7.657 8.300 -0.228 0.028 0.516 26 V N -2.411 117.091 119.914 -0.687 0.000 2.358 26 V HA -0.297 3.772 4.120 -0.085 0.000 0.246 26 V C 0.164 176.121 176.094 -0.229 0.000 1.047 26 V CA 2.060 64.135 62.300 -0.376 0.000 1.035 26 V CB -0.012 31.503 31.823 -0.514 0.000 0.658 26 V HN -0.445 6.785 8.190 -1.348 0.150 0.452 27 Q N -5.473 114.167 119.800 -0.267 0.000 2.590 27 Q HA 0.297 4.529 4.340 -0.179 0.000 0.295 27 Q C -3.357 172.509 176.000 -0.223 0.000 0.973 27 Q CA -2.975 52.681 55.803 -0.246 0.000 0.768 27 Q CB 0.838 29.358 28.738 -0.363 0.000 1.479 27 Q HN -0.909 7.167 8.270 -0.323 0.000 0.419 28 P HA 0.054 4.441 4.420 -0.054 0.000 0.269 28 P C -0.358 176.784 177.300 -0.263 0.000 1.209 28 P CA -0.011 62.992 63.100 -0.161 0.000 0.776 28 P CB 0.885 32.570 31.700 -0.024 0.000 0.876 29 A N 1.906 124.666 122.820 -0.101 0.000 1.933 29 A HA -0.175 4.057 4.320 -0.147 0.000 0.218 29 A C 1.745 179.272 177.584 -0.095 0.000 1.175 29 A CA 3.144 55.125 52.037 -0.093 0.000 0.628 29 A CB -0.368 18.627 19.000 -0.008 0.000 0.814 29 A HN 0.465 8.612 8.150 -0.005 0.000 0.444 30 W N -4.582 116.702 121.300 -0.027 0.000 2.374 30 W HA -0.305 4.338 4.660 -0.028 0.000 0.288 30 W C 0.908 177.434 176.519 0.011 0.000 1.218 30 W CA 2.515 59.851 57.345 -0.016 0.000 1.245 30 W CB -0.901 28.554 29.460 -0.009 0.000 1.126 30 W HN 0.000 8.286 8.180 0.197 0.012 0.545 31 Q N -0.912 118.013 119.800 -1.459 0.000 2.170 31 Q HA -0.358 2.690 4.340 -2.154 0.000 0.203 31 Q C 2.150 177.876 176.000 -0.456 0.000 0.976 31 Q CA 2.766 57.723 55.803 -1.410 0.000 0.858 31 Q CB -0.661 27.415 28.738 -1.104 0.000 0.907 31 Q HN -0.720 6.587 8.270 -1.396 0.125 0.433 32 I N -0.675 119.667 120.570 -0.380 0.000 2.179 32 I HA -0.328 3.667 4.170 -0.292 0.000 0.242 32 I C 2.278 178.282 176.117 -0.188 0.000 1.088 32 I CA 3.267 64.402 61.300 -0.275 0.000 1.357 32 I CB -0.355 37.479 38.000 -0.277 0.000 1.051 32 I HN -0.655 7.178 8.210 -0.425 0.122 0.409 33 V N -0.949 118.896 119.914 -0.114 0.000 2.515 33 V HA -0.403 3.651 4.120 -0.110 0.000 0.250 33 V C 1.520 177.618 176.094 0.007 0.000 1.058 33 V CA 3.591 65.867 62.300 -0.040 0.000 1.064 33 V CB -0.678 31.171 31.823 0.044 0.000 0.675 33 V HN -0.524 7.515 8.190 -0.103 0.090 0.461 34 L N 1.470 122.707 121.223 0.024 0.000 2.017 34 L HA -0.266 4.102 4.340 0.047 0.000 0.208 34 L C 1.664 178.371 176.870 -0.273 0.000 1.073 34 L CA 3.587 58.406 54.840 -0.035 0.000 0.745 34 L CB -0.337 41.693 42.059 -0.049 0.000 0.894 34 L HN 0.139 8.130 8.230 -0.026 0.224 0.432 35 W N -2.564 118.484 121.300 -0.421 0.000 2.388 35 W HA -0.410 3.854 4.660 -0.660 0.000 0.294 35 W C 1.773 178.041 176.519 -0.419 0.000 1.212 35 W CA 3.117 60.040 57.345 -0.704 0.000 1.271 35 W CB -0.309 28.414 29.460 -1.229 0.000 1.126 35 W HN 0.001 8.310 8.180 0.216 0.000 0.535 36 A N -1.105 121.676 122.820 -0.066 0.000 1.902 36 A HA -0.383 4.049 4.320 0.187 0.000 0.217 36 A C 1.500 179.359 177.584 0.459 0.000 1.181 36 A CA 3.003 55.088 52.037 0.081 0.000 0.623 36 A CB -1.173 17.637 19.000 -0.317 0.000 0.818 36 A HN 0.282 8.286 8.150 -0.107 0.081 0.443 37 A N -2.053 120.892 122.820 0.208 0.000 1.902 37 A HA -0.299 4.173 4.320 0.253 0.000 0.217 37 A C 1.784 179.462 177.584 0.157 0.000 1.181 37 A CA 2.895 55.040 52.037 0.181 0.000 0.623 37 A CB -0.749 18.289 19.000 0.064 0.000 0.818 37 A HN 0.421 8.408 8.150 0.067 0.204 0.443 38 A N -1.137 121.721 122.820 0.063 0.000 1.902 38 A HA -0.242 4.099 4.320 0.035 0.000 0.217 38 A C 1.892 179.711 177.584 0.390 0.000 1.181 38 A CA 2.921 55.012 52.037 0.091 0.000 0.623 38 A CB -0.784 18.144 19.000 -0.120 0.000 0.818 38 A HN -0.121 7.897 8.150 -0.077 0.086 0.443 39 Y N -1.862 118.682 120.300 0.408 0.000 2.200 39 Y HA -0.262 4.529 4.550 0.402 0.000 0.290 39 Y C 2.502 178.535 175.900 0.222 0.000 1.137 39 Y CA 1.598 59.985 58.100 0.477 0.000 1.163 39 Y CB -0.456 38.470 38.460 0.777 0.000 0.988 39 Y HN -0.033 8.566 8.280 0.655 0.074 0.518 40 T N 0.803 115.518 114.554 0.268 0.000 2.746 40 T HA -0.397 3.789 4.350 -0.273 0.000 0.267 40 T C 1.975 176.644 174.700 -0.053 0.000 1.039 40 T CA 4.704 66.749 62.100 -0.091 0.000 1.142 40 T CB -0.197 68.553 68.868 -0.196 0.000 0.866 40 T HN -0.074 8.352 8.240 0.450 0.084 0.444 41 V N -0.898 119.032 119.914 0.025 0.000 2.427 41 V HA -0.430 3.673 4.120 -0.028 0.000 0.248 41 V C 1.388 177.478 176.094 -0.007 0.000 1.051 41 V CA 3.908 66.209 62.300 0.001 0.000 1.048 41 V CB -0.417 31.417 31.823 0.018 0.000 0.666 41 V HN -0.393 7.850 8.190 0.089 0.000 0.456 42 I N 0.352 120.940 120.570 0.029 0.000 2.226 42 I HA -0.481 3.696 4.170 0.012 0.000 0.245 42 I C 1.990 178.053 176.117 -0.090 0.000 1.100 42 I CA 4.086 65.385 61.300 -0.001 0.000 1.374 42 I CB -0.534 37.499 38.000 0.054 0.000 1.057 42 I HN -0.411 7.769 8.210 0.103 0.092 0.413 43 V N -0.849 118.974 119.914 -0.152 0.000 2.332 43 V HA -0.503 3.492 4.120 -0.209 0.000 0.248 43 V C 1.898 177.921 176.094 -0.119 0.000 1.055 43 V CA 4.320 66.512 62.300 -0.180 0.000 1.038 43 V CB -1.309 30.389 31.823 -0.209 0.000 0.651 43 V HN 0.247 8.249 8.190 -0.138 0.105 0.450 44 V N -0.338 119.519 119.914 -0.095 0.000 2.261 44 V HA -0.390 3.683 4.120 -0.079 0.000 0.246 44 V C 2.381 178.441 176.094 -0.057 0.000 1.047 44 V CA 4.483 66.739 62.300 -0.074 0.000 1.015 44 V CB -1.025 30.761 31.823 -0.062 0.000 0.642 44 V HN -0.776 7.271 8.190 -0.094 0.087 0.446 45 T N 0.783 115.309 114.554 -0.047 0.000 2.737 45 T HA -0.342 3.988 4.350 -0.033 0.000 0.265 45 T C 2.376 177.055 174.700 -0.036 0.000 1.038 45 T CA 4.662 66.741 62.100 -0.035 0.000 1.144 45 T CB -0.323 68.532 68.868 -0.022 0.000 0.866 45 T HN -0.353 7.860 8.240 -0.046 0.000 0.434 46 S N 2.616 118.288 115.700 -0.046 0.000 2.368 46 S HA -0.294 4.156 4.470 -0.034 0.000 0.225 46 S C 2.203 176.783 174.600 -0.033 0.000 1.030 46 S CA 3.619 61.793 58.200 -0.044 0.000 0.999 46 S CB -0.059 63.102 63.200 -0.064 0.000 0.844 46 S HN 0.431 8.596 8.310 -0.057 0.111 0.459 47 V N 1.439 121.325 119.914 -0.047 0.000 2.307 47 V HA -0.421 3.685 4.120 -0.025 0.000 0.245 47 V C 1.629 177.714 176.094 -0.016 0.000 1.045 47 V CA 3.676 65.955 62.300 -0.035 0.000 1.024 47 V CB -1.043 30.747 31.823 -0.055 0.000 0.651 47 V HN -0.251 7.900 8.190 -0.064 0.000 0.449 48 V N -0.172 119.727 119.914 -0.025 0.000 2.295 48 V HA -0.394 3.715 4.120 -0.018 0.000 0.246 48 V C 2.422 178.513 176.094 -0.005 0.000 1.049 48 V CA 4.220 66.509 62.300 -0.018 0.000 1.024 48 V CB -1.197 30.612 31.823 -0.023 0.000 0.648 48 V HN 0.112 8.280 8.190 -0.036 0.000 0.447 49 G N -1.633 107.160 108.800 -0.013 0.000 2.418 49 G HA2 -0.351 3.574 3.960 -0.058 0.000 0.217 49 G HA3 -0.351 3.598 3.960 -0.019 0.000 0.217 49 G C 1.042 175.958 174.900 0.027 0.000 1.158 49 G CA 2.364 47.454 45.100 -0.017 0.000 0.771 49 G HN 0.512 8.791 8.290 -0.019 0.000 0.545 50 N N 1.555 120.285 118.700 0.050 0.000 2.270 50 N HA -0.212 4.600 4.740 0.119 0.000 0.181 50 N C 1.750 177.342 175.510 0.136 0.000 1.016 50 N CA 3.700 56.808 53.050 0.096 0.000 0.870 50 N CB 0.123 38.658 38.487 0.081 0.000 0.979 50 N HN -0.463 7.933 8.380 0.027 0.000 0.431 51 V N 1.698 121.680 119.914 0.115 0.000 2.427 51 V HA -0.334 3.905 4.120 0.198 0.000 0.248 51 V C 0.965 177.201 176.094 0.236 0.000 1.051 51 V CA 3.476 65.872 62.300 0.160 0.000 1.048 51 V CB -0.378 31.499 31.823 0.090 0.000 0.666 51 V HN -0.042 8.190 8.190 0.070 0.000 0.456 52 V N 0.554 120.579 119.914 0.184 0.000 2.343 52 V HA -0.433 3.881 4.120 0.324 0.000 0.247 52 V C 2.492 178.867 176.094 0.469 0.000 1.051 52 V CA 4.416 66.882 62.300 0.277 0.000 1.036 52 V CB -1.247 30.633 31.823 0.094 0.000 0.654 52 V HN -0.106 8.058 8.190 0.104 0.088 0.451 53 V N -0.116 119.997 119.914 0.331 0.000 2.261 53 V HA -0.519 3.971 4.120 0.617 0.000 0.246 53 V C 2.108 178.386 176.094 0.306 0.000 1.047 53 V CA 4.355 66.856 62.300 0.335 0.000 1.015 53 V CB -0.922 30.938 31.823 0.062 0.000 0.642 53 V HN -0.391 7.833 8.190 0.194 0.082 0.446 54 M N -1.575 118.191 119.600 0.277 0.000 2.117 54 M HA -0.389 4.215 4.480 0.206 0.000 0.262 54 M C 1.843 178.300 176.300 0.262 0.000 1.065 54 M CA 4.196 59.647 55.300 0.252 0.000 1.114 54 M CB -0.452 32.309 32.600 0.268 0.000 1.361 54 M HN -0.134 8.313 8.290 0.262 0.000 0.408 55 W N 0.910 122.304 121.300 0.155 0.000 2.355 55 W HA -0.349 4.375 4.660 0.106 0.000 0.309 55 W C 1.779 178.387 176.519 0.148 0.000 1.206 55 W CA 3.250 60.677 57.345 0.137 0.000 1.284 55 W CB 0.788 30.332 29.460 0.141 0.000 1.145 55 W HN 0.504 8.859 8.180 0.491 0.119 0.502 56 I N 1.298 122.109 120.570 0.402 0.000 2.179 56 I HA -0.577 3.814 4.170 0.368 0.000 0.242 56 I C 1.562 177.704 176.117 0.042 0.000 1.088 56 I CA 3.622 65.067 61.300 0.241 0.000 1.357 56 I CB 0.344 38.385 38.000 0.068 0.000 1.051 56 I HN 0.380 8.794 8.210 0.530 0.114 0.409 57 I N -1.833 118.749 120.570 0.020 0.000 2.226 57 I HA -0.458 3.648 4.170 -0.107 0.000 0.245 57 I C 1.545 177.611 176.117 -0.086 0.000 1.100 57 I CA 3.730 64.996 61.300 -0.056 0.000 1.374 57 I CB -0.641 37.337 38.000 -0.037 0.000 1.057 57 I HN -0.233 8.050 8.210 0.122 0.000 0.413 58 L N -0.523 120.636 121.223 -0.105 0.000 2.046 58 L HA -0.337 3.917 4.340 -0.144 0.000 0.208 58 L C 1.954 178.672 176.870 -0.253 0.000 1.077 58 L CA 2.983 57.719 54.840 -0.174 0.000 0.747 58 L CB -1.004 40.940 42.059 -0.192 0.000 0.896 58 L HN -0.407 7.792 8.230 -0.052 0.000 0.432 59 A N -2.655 119.953 122.820 -0.353 0.000 1.902 59 A HA -0.234 3.791 4.320 -0.492 0.000 0.217 59 A C 0.163 177.547 177.584 -0.333 0.000 1.181 59 A CA 1.866 53.646 52.037 -0.429 0.000 0.623 59 A CB 0.389 19.096 19.000 -0.489 0.000 0.818 59 A HN 0.140 7.901 8.150 -0.338 0.185 0.443 60 H N -1.855 117.021 119.070 -0.323 0.000 2.652 60 H HA 0.089 4.464 4.556 -0.413 -0.067 0.298 60 H C 0.011 175.244 175.328 -0.159 0.000 1.076 60 H CA -0.220 55.605 56.048 -0.370 0.000 1.360 60 H CB 0.941 30.274 29.762 -0.715 0.000 1.421 60 H HN 0.320 8.511 8.280 0.041 0.113 0.464 61 K N 6.644 127.010 120.400 -0.058 0.000 2.097 61 K HA -0.369 3.917 4.320 -0.056 0.000 0.206 61 K C 2.084 178.702 176.600 0.030 0.000 1.049 61 K CA 3.594 59.864 56.287 -0.028 0.000 0.933 61 K CB 0.117 32.591 32.500 -0.043 0.000 0.717 61 K HN 0.107 8.142 8.250 -0.158 0.121 0.442 62 R N -1.913 118.682 120.500 0.158 0.000 2.120 62 R HA -0.217 4.112 4.340 -0.019 0.000 0.234 62 R C 0.674 176.942 176.300 -0.053 0.000 1.123 62 R CA 2.113 58.247 56.100 0.056 0.000 0.975 62 R CB -0.521 29.774 30.300 -0.008 0.000 0.866 62 R HN 0.078 8.501 8.270 0.283 0.016 0.446 63 M N 0.523 120.135 119.600 0.019 0.000 3.596 63 M HA -0.038 4.276 4.480 -0.277 0.000 0.219 63 M C -1.093 175.103 176.300 -0.172 0.000 1.471 63 M CA 0.296 55.491 55.300 -0.175 0.000 1.644 63 M CB -1.493 30.947 32.600 -0.267 0.000 1.083 63 M HN -0.729 7.613 8.290 0.265 0.107 0.579 64 R N 2.591 123.003 120.500 -0.146 0.000 2.363 64 R HA 0.271 4.420 4.340 -0.317 0.000 0.297 64 R C -1.176 175.070 176.300 -0.089 0.000 1.208 64 R CA -1.187 54.811 56.100 -0.170 0.000 1.121 64 R CB 0.199 30.451 30.300 -0.079 0.000 1.124 64 R HN 0.279 8.415 8.270 -0.123 0.060 0.561 65 T N -1.265 113.227 114.554 -0.104 0.000 2.926 65 T HA 0.321 4.725 4.350 0.090 0.000 0.289 65 T C 0.001 174.818 174.700 0.195 0.000 1.054 65 T CA -2.600 59.533 62.100 0.055 0.000 1.015 65 T CB 2.847 71.748 68.868 0.056 0.000 1.167 65 T HN -0.178 7.936 8.240 -0.210 0.000 0.526 66 V N 1.270 121.381 119.914 0.330 0.000 2.407 66 V HA -0.272 4.324 4.120 0.793 0.000 0.248 66 V C 0.934 177.293 176.094 0.440 0.000 1.055 66 V CA 3.396 65.975 62.300 0.466 0.000 1.049 66 V CB -0.302 31.739 31.823 0.362 0.000 0.662 66 V HN 0.487 8.823 8.190 0.244 0.000 0.455 67 T N 1.267 116.078 114.554 0.428 0.000 2.759 67 T HA -0.326 4.562 4.350 0.897 0.000 0.269 67 T C 2.263 177.194 174.700 0.385 0.000 1.042 67 T CA 4.772 67.180 62.100 0.515 0.000 1.140 67 T CB -0.791 68.282 68.868 0.342 0.000 0.864 67 T HN -0.014 8.414 8.240 0.323 0.005 0.455 68 N N 0.748 119.558 118.700 0.183 0.000 2.223 68 N HA -0.245 4.635 4.740 0.232 0.000 0.185 68 N C 1.929 177.429 175.510 -0.016 0.000 1.016 68 N CA 2.583 55.678 53.050 0.075 0.000 0.863 68 N CB -0.745 37.673 38.487 -0.115 0.000 0.983 68 N HN 0.229 8.574 8.380 0.139 0.118 0.429 69 Y N -0.061 120.223 120.300 -0.028 0.000 2.181 69 Y HA -0.398 4.113 4.550 -0.065 0.000 0.288 69 Y C 2.366 178.176 175.900 -0.150 0.000 1.146 69 Y CA 3.840 61.840 58.100 -0.168 0.000 1.164 69 Y CB -0.289 37.921 38.460 -0.417 0.000 0.982 69 Y HN -0.451 7.692 8.280 -0.010 0.131 0.515 70 F N -2.828 117.311 119.950 0.315 0.000 2.186 70 F HA -0.351 4.322 4.527 0.243 0.000 0.299 70 F C 2.003 177.947 175.800 0.240 0.000 1.090 70 F CA 4.023 62.172 58.000 0.248 0.000 1.307 70 F CB -0.746 38.377 39.000 0.205 0.000 1.019 70 F HN -0.553 7.665 8.300 0.018 0.093 0.489 71 L N -1.218 120.252 121.223 0.412 0.000 2.083 71 L HA -0.318 4.250 4.340 0.380 0.000 0.209 71 L C 2.040 179.106 176.870 0.326 0.000 1.083 71 L CA 3.410 58.477 54.840 0.379 0.000 0.752 71 L CB -1.036 41.278 42.059 0.425 0.000 0.899 71 L HN 0.226 8.628 8.230 0.409 0.073 0.433 72 V N -2.814 117.258 119.914 0.264 0.000 2.407 72 V HA -0.603 3.669 4.120 0.253 0.000 0.248 72 V C 1.385 177.680 176.094 0.335 0.000 1.055 72 V CA 4.397 66.850 62.300 0.256 0.000 1.049 72 V CB -0.483 31.452 31.823 0.187 0.000 0.662 72 V HN 0.009 8.232 8.190 0.222 0.100 0.455 73 N N 0.690 119.596 118.700 0.344 0.000 2.084 73 N HA -0.301 4.732 4.740 0.488 0.000 0.190 73 N C 2.122 177.890 175.510 0.430 0.000 1.030 73 N CA 3.136 56.441 53.050 0.424 0.000 0.849 73 N CB -0.198 38.523 38.487 0.389 0.000 1.012 73 N HN -0.702 7.760 8.380 0.308 0.103 0.423 74 L N -1.045 120.380 121.223 0.336 0.000 2.046 74 L HA -0.299 4.178 4.340 0.228 0.000 0.208 74 L C 1.881 178.924 176.870 0.288 0.000 1.077 74 L CA 3.535 58.540 54.840 0.276 0.000 0.747 74 L CB -0.684 41.524 42.059 0.248 0.000 0.896 74 L HN -0.143 8.213 8.230 0.336 0.075 0.432 75 A N -0.330 122.677 122.820 0.312 0.000 1.902 75 A HA -0.291 4.162 4.320 0.222 0.000 0.217 75 A C 2.053 179.802 177.584 0.275 0.000 1.181 75 A CA 2.877 55.077 52.037 0.270 0.000 0.623 75 A CB -0.828 18.331 19.000 0.264 0.000 0.818 75 A HN 0.396 8.549 8.150 0.329 0.195 0.443 76 F N -0.013 120.088 119.950 0.252 0.000 2.134 76 F HA -0.444 4.225 4.527 0.237 0.000 0.299 76 F C 0.902 176.893 175.800 0.318 0.000 1.097 76 F CA 3.184 61.352 58.000 0.280 0.000 1.264 76 F CB 0.237 39.433 39.000 0.328 0.000 1.001 76 F HN 0.400 8.813 8.300 0.520 0.200 0.479 77 A N -0.974 122.074 122.820 0.380 0.000 1.933 77 A HA -0.411 4.120 4.320 0.352 0.000 0.218 77 A C 1.936 179.574 177.584 0.091 0.000 1.175 77 A CA 3.334 55.528 52.037 0.263 0.000 0.628 77 A CB -0.871 18.266 19.000 0.227 0.000 0.814 77 A HN 0.189 8.557 8.150 0.509 0.088 0.444 78 E N -1.136 119.120 120.200 0.092 0.000 2.106 78 E HA -0.314 4.077 4.350 0.069 0.000 0.192 78 E C 2.204 178.804 176.600 0.001 0.000 0.984 78 E CA 3.062 59.493 56.400 0.053 0.000 0.806 78 E CB -0.558 29.169 29.700 0.045 0.000 0.750 78 E HN -0.213 8.146 8.360 0.146 0.089 0.458 79 A N -0.022 122.768 122.820 -0.050 0.000 1.902 79 A HA -0.299 4.004 4.320 -0.028 0.000 0.217 79 A C 1.601 179.139 177.584 -0.075 0.000 1.181 79 A CA 3.385 55.376 52.037 -0.077 0.000 0.623 79 A CB -0.913 18.025 19.000 -0.103 0.000 0.818 79 A HN 0.208 8.226 8.150 -0.040 0.108 0.443 80 S N -1.221 114.380 115.700 -0.165 0.000 2.382 80 S HA -0.364 4.314 4.470 0.346 0.000 0.228 80 S C 2.174 176.888 174.600 0.190 0.000 1.027 80 S CA 3.359 61.602 58.200 0.071 0.000 0.991 80 S CB -0.200 62.971 63.200 -0.048 0.000 0.823 80 S HN -0.245 7.858 8.310 -0.346 0.000 0.469 81 M N 2.851 122.508 119.600 0.095 0.000 2.086 81 M HA -0.266 4.616 4.480 0.153 -0.311 0.261 81 M C 1.291 177.608 176.300 0.029 0.000 1.067 81 M CA 3.695 59.053 55.300 0.098 0.000 1.116 81 M CB 0.119 32.766 32.600 0.079 0.000 1.348 81 M HN -0.561 7.658 8.290 0.047 0.099 0.407 82 A N -1.703 121.103 122.820 -0.023 0.000 1.898 82 A HA -0.351 3.869 4.320 -0.167 0.000 0.216 82 A C 1.264 178.789 177.584 -0.097 0.000 1.181 82 A CA 2.638 54.618 52.037 -0.094 0.000 0.620 82 A CB -0.561 18.389 19.000 -0.083 0.000 0.819 82 A HN -0.089 7.985 8.150 -0.009 0.069 0.442 83 A N -2.475 120.307 122.820 -0.064 0.000 1.843 83 A HA -0.088 4.119 4.320 -0.189 0.000 0.213 83 A C 2.163 179.608 177.584 -0.231 0.000 1.202 83 A CA 2.221 54.149 52.037 -0.183 0.000 0.607 83 A CB 0.069 18.896 19.000 -0.288 0.000 0.847 83 A HN 0.229 8.258 8.150 -0.009 0.116 0.445 84 F N -2.948 116.976 119.950 -0.043 0.000 2.074 84 F HA -0.256 4.260 4.527 -0.017 0.000 0.290 84 F C 1.788 177.635 175.800 0.079 0.000 1.118 84 F CA 4.152 62.146 58.000 -0.010 0.000 1.199 84 F CB 0.201 39.158 39.000 -0.071 0.000 1.012 84 F HN 0.113 8.494 8.300 0.321 0.112 0.472 85 N N -2.347 116.540 118.700 0.311 0.000 2.207 85 N HA -0.321 4.648 4.740 0.381 0.000 0.182 85 N C 1.761 177.399 175.510 0.214 0.000 1.020 85 N CA 3.014 56.236 53.050 0.285 0.000 0.858 85 N CB -0.034 38.607 38.487 0.258 0.000 0.991 85 N HN -0.589 7.972 8.380 0.302 0.000 0.427 86 T N 1.910 116.489 114.554 0.042 0.000 2.821 86 T HA -0.180 4.277 4.350 0.180 0.000 0.267 86 T C 1.678 176.414 174.700 0.060 0.000 1.046 86 T CA 3.802 65.773 62.100 -0.214 0.000 1.139 86 T CB -0.294 68.078 68.868 -0.826 0.000 0.871 86 T HN 0.401 8.540 8.240 0.001 0.101 0.454 87 V N 1.140 121.084 119.914 0.050 0.000 2.295 87 V HA -0.457 3.729 4.120 0.111 0.000 0.246 87 V C 1.783 178.028 176.094 0.251 0.000 1.049 87 V CA 4.048 66.416 62.300 0.114 0.000 1.024 87 V CB -0.194 31.640 31.823 0.019 0.000 0.648 87 V HN -0.533 7.648 8.190 0.003 0.011 0.447 88 V N -0.653 119.367 119.914 0.177 0.000 2.358 88 V HA -0.393 3.789 4.120 0.104 0.000 0.246 88 V C 2.083 178.388 176.094 0.351 0.000 1.047 88 V CA 3.342 65.703 62.300 0.102 0.000 1.035 88 V CB -0.984 30.622 31.823 -0.362 0.000 0.658 88 V HN -0.756 7.523 8.190 0.149 0.000 0.452 89 N N 0.525 119.474 118.700 0.414 0.000 2.223 89 N HA -0.279 4.863 4.740 0.461 -0.126 0.185 89 N C 2.660 178.580 175.510 0.683 0.000 1.016 89 N CA 3.046 56.390 53.050 0.491 0.000 0.863 89 N CB 0.049 38.678 38.487 0.237 0.000 0.983 89 N HN -0.212 8.322 8.380 0.372 0.070 0.429 90 F N 1.568 121.876 119.950 0.598 0.000 2.146 90 F HA -0.343 4.541 4.527 0.594 0.000 0.298 90 F C 1.079 177.066 175.800 0.312 0.000 1.096 90 F CA 3.640 61.935 58.000 0.490 0.000 1.275 90 F CB 0.301 39.510 39.000 0.347 0.000 1.008 90 F HN 0.241 8.899 8.300 0.776 0.107 0.480 91 T N 2.377 117.169 114.554 0.397 0.000 2.708 91 T HA -0.464 3.996 4.350 0.183 0.000 0.266 91 T C 1.784 176.635 174.700 0.252 0.000 1.037 91 T CA 5.077 67.362 62.100 0.309 0.000 1.146 91 T CB -0.245 68.923 68.868 0.501 0.000 0.865 91 T HN -0.182 8.295 8.240 0.534 0.084 0.435 92 Y N 2.873 123.381 120.300 0.346 0.000 2.128 92 Y HA -0.343 4.580 4.550 0.420 -0.121 0.284 92 Y C 1.057 177.051 175.900 0.156 0.000 1.154 92 Y CA 3.087 61.401 58.100 0.357 0.000 1.149 92 Y CB -0.779 37.957 38.460 0.460 0.000 0.976 92 Y HN 0.075 8.723 8.280 0.614 0.000 0.505 93 A N -1.439 120.979 122.820 -0.669 0.000 1.877 93 A HA -0.378 2.631 4.320 -2.185 0.000 0.216 93 A C 1.999 179.084 177.584 -0.832 0.000 1.186 93 A CA 3.017 54.419 52.037 -1.059 0.000 0.620 93 A CB -0.456 18.347 19.000 -0.328 0.000 0.822 93 A HN -0.401 7.630 8.150 -0.012 0.111 0.443 94 V N -6.463 113.006 119.914 -0.740 0.000 2.667 94 V HA -0.363 3.463 4.120 -0.490 0.000 0.252 94 V C 1.483 177.255 176.094 -0.536 0.000 1.065 94 V CA 2.605 64.534 62.300 -0.618 0.000 1.083 94 V CB -0.937 30.516 31.823 -0.616 0.000 0.692 94 V HN -0.407 7.286 8.190 -0.828 0.000 0.468 95 H N -0.659 118.222 119.070 -0.315 0.000 2.462 95 H HA -0.047 4.424 4.556 -0.142 0.000 0.292 95 H C 0.396 175.629 175.328 -0.159 0.000 1.049 95 H CA 2.394 58.337 56.048 -0.175 0.000 1.334 95 H CB 0.636 30.359 29.762 -0.065 0.000 1.404 95 H HN -0.251 7.639 8.280 -0.468 0.109 0.544 96 N N -6.385 112.144 118.700 -0.284 0.000 2.984 96 N HA -0.359 4.131 4.740 -0.416 0.000 0.227 96 N C -1.614 174.070 175.510 0.290 0.000 0.903 96 N CA 2.150 55.093 53.050 -0.177 0.000 0.995 96 N CB -0.946 37.498 38.487 -0.071 0.000 1.065 96 N HN 0.448 8.199 8.380 -0.652 0.237 0.585 97 E N -5.599 114.933 120.200 0.555 0.000 2.429 97 E HA 0.183 5.063 4.350 0.883 0.000 0.277 97 E C -1.954 175.131 176.600 0.809 0.000 1.130 97 E CA -1.028 55.817 56.400 0.742 0.000 0.875 97 E CB 2.339 32.270 29.700 0.386 0.000 1.443 97 E HN -0.754 7.762 8.360 0.384 0.074 0.444 98 W N 3.581 125.052 121.300 0.285 0.000 2.429 98 W HA -0.089 4.775 4.660 0.340 0.000 0.431 98 W C -0.923 175.698 176.519 0.170 0.000 1.038 98 W CA -0.333 57.161 57.345 0.248 0.000 1.635 98 W CB -0.494 29.060 29.460 0.157 0.000 1.721 98 W HN 0.716 9.153 8.180 0.580 0.091 0.366 99 Y N 6.828 127.027 120.300 -0.169 0.000 2.242 99 Y HA -0.446 3.964 4.550 -0.233 0.000 0.291 99 Y C -0.019 175.535 175.900 -0.575 0.000 1.137 99 Y CA 3.560 61.395 58.100 -0.441 0.000 1.181 99 Y CB 0.246 38.248 38.460 -0.763 0.000 0.989 99 Y HN -0.517 7.860 8.280 0.161 0.000 0.527 100 Y N -3.910 116.066 120.300 -0.539 0.000 2.224 100 Y HA -0.263 4.075 4.550 -0.353 0.000 0.289 100 Y C 0.347 176.075 175.900 -0.288 0.000 1.146 100 Y CA 1.525 59.297 58.100 -0.547 0.000 1.182 100 Y CB -0.065 37.873 38.460 -0.869 0.000 0.983 100 Y HN -0.426 7.330 8.280 -0.839 0.020 0.524 101 G N -3.170 105.366 108.800 -0.440 0.000 2.655 101 G HA2 -0.300 3.716 3.960 0.094 0.000 0.680 101 G HA3 -0.300 3.721 3.960 0.101 0.000 0.680 101 G C -0.105 175.000 174.900 0.341 0.000 1.302 101 G CA -0.699 44.418 45.100 0.028 0.000 0.872 101 G HN -1.046 6.607 8.290 -1.061 0.000 0.540 102 L N -0.778 120.671 121.223 0.377 0.000 2.042 102 L HA -0.357 4.239 4.340 0.427 0.000 0.210 102 L C 1.789 178.799 176.870 0.234 0.000 1.076 102 L CA 2.943 57.967 54.840 0.306 0.000 0.749 102 L CB -0.177 41.912 42.059 0.050 0.000 0.893 102 L HN 0.268 8.663 8.230 0.274 0.000 0.432 103 F N -2.371 117.672 119.950 0.156 0.000 2.095 103 F HA -0.417 4.072 4.527 -0.063 0.000 0.298 103 F C 1.971 177.867 175.800 0.160 0.000 1.104 103 F CA 4.250 62.267 58.000 0.030 0.000 1.232 103 F CB -0.552 38.402 39.000 -0.076 0.000 0.987 103 F HN -0.414 8.185 8.300 0.499 0.000 0.475 104 Y N -2.155 118.550 120.300 0.676 0.000 2.293 104 Y HA -0.394 4.639 4.550 0.805 0.000 0.291 104 Y C 2.173 178.740 175.900 1.113 0.000 1.137 104 Y CA 3.959 62.491 58.100 0.720 0.000 1.202 104 Y CB -1.038 37.644 38.460 0.370 0.000 0.990 104 Y HN -0.504 8.127 8.280 0.584 0.000 0.537 105 c N 0.717 120.198 118.600 1.468 0.000 2.413 105 c HA -0.497 4.366 4.570 0.489 0.000 0.276 105 c C 1.762 176.066 174.090 0.358 0.000 1.248 105 c CA 3.171 59.980 56.329 0.799 0.000 1.742 105 c CB -2.129 40.535 42.510 0.257 0.000 2.017 105 c HN 0.209 9.211 8.230 1.453 0.100 0.481 106 K N 0.390 120.907 120.400 0.195 0.000 2.025 106 K HA -0.339 3.929 4.320 -0.087 0.000 0.207 106 K C 2.074 178.642 176.600 -0.054 0.000 1.049 106 K CA 3.611 59.848 56.287 -0.083 0.000 0.933 106 K CB -0.269 32.006 32.500 -0.375 0.000 0.714 106 K HN -0.464 7.844 8.250 0.247 0.090 0.438 107 F N -1.449 118.557 119.950 0.093 0.000 2.102 107 F HA -0.406 4.209 4.527 0.147 0.000 0.298 107 F C 2.505 178.421 175.800 0.193 0.000 1.105 107 F CA 4.633 62.693 58.000 0.099 0.000 1.239 107 F CB -0.335 38.639 39.000 -0.045 0.000 0.991 107 F HN -0.163 8.165 8.300 0.177 0.078 0.474 108 H N -2.650 116.817 119.070 0.662 0.000 2.389 108 H HA -0.293 4.603 4.556 0.567 0.000 0.299 108 H C 1.752 177.270 175.328 0.317 0.000 1.081 108 H CA 3.477 59.836 56.048 0.518 0.000 1.345 108 H CB -0.257 29.843 29.762 0.564 0.000 1.393 108 H HN 0.628 9.005 8.280 0.369 0.125 0.520 109 N N -1.298 117.563 118.700 0.268 0.000 2.142 109 N HA -0.269 4.658 4.740 0.105 -0.125 0.186 109 N C 1.151 176.732 175.510 0.119 0.000 1.023 109 N CA 2.455 55.584 53.050 0.131 0.000 0.852 109 N CB 0.884 39.391 38.487 0.033 0.000 0.998 109 N HN 0.015 8.432 8.380 0.256 0.117 0.424 110 F N 2.031 121.981 119.950 -0.001 0.000 2.069 110 F HA -0.368 4.112 4.527 -0.079 0.000 0.298 110 F C 1.709 177.459 175.800 -0.084 0.000 1.113 110 F CA 3.900 61.831 58.000 -0.115 0.000 1.214 110 F CB 0.079 38.881 39.000 -0.330 0.000 0.978 110 F HN 0.102 8.549 8.300 0.244 0.000 0.474 111 F N -2.567 117.458 119.950 0.126 0.000 2.113 111 F HA -0.178 4.274 4.527 -0.126 0.000 0.297 111 F C -0.965 174.800 175.800 -0.059 0.000 1.103 111 F CA 6.188 64.202 58.000 0.024 0.000 1.248 111 F CB -3.102 35.998 39.000 0.167 0.000 0.999 111 F HN -0.234 8.365 8.300 0.498 0.000 0.475 112 P HA -0.219 4.273 4.420 0.121 0.000 0.218 112 P C 1.342 178.568 177.300 -0.123 0.000 1.149 112 P CA 2.764 65.909 63.100 0.075 0.000 0.817 112 P CB -0.408 31.363 31.700 0.118 0.000 0.785 113 I N -1.441 118.980 120.570 -0.248 0.000 2.286 113 I HA -0.349 3.459 4.170 -0.604 0.000 0.245 113 I C 0.999 176.690 176.117 -0.710 0.000 1.104 113 I CA 1.834 62.817 61.300 -0.528 0.000 1.397 113 I CB -0.168 37.639 38.000 -0.323 0.000 1.072 113 I HN 0.115 8.109 8.210 -0.181 0.107 0.417 114 A N -0.172 122.375 122.820 -0.455 0.000 1.902 114 A HA -0.362 3.974 4.320 0.026 0.000 0.217 114 A C 1.631 179.132 177.584 -0.139 0.000 1.181 114 A CA 3.152 55.052 52.037 -0.228 0.000 0.623 114 A CB -1.030 17.808 19.000 -0.270 0.000 0.818 114 A HN 0.097 7.840 8.150 -0.553 0.075 0.443 115 A N -1.962 120.800 122.820 -0.097 0.000 1.902 115 A HA -0.410 3.920 4.320 0.017 0.000 0.217 115 A C 1.768 179.288 177.584 -0.107 0.000 1.181 115 A CA 3.137 55.161 52.037 -0.021 0.000 0.623 115 A CB -0.541 18.509 19.000 0.082 0.000 0.818 115 A HN -0.231 7.767 8.150 -0.096 0.094 0.443 116 V N -1.457 118.287 119.914 -0.284 0.000 2.358 116 V HA -0.394 3.549 4.120 -0.295 0.000 0.246 116 V C 2.134 178.085 176.094 -0.237 0.000 1.047 116 V CA 3.669 65.700 62.300 -0.448 0.000 1.035 116 V CB -0.893 30.352 31.823 -0.963 0.000 0.658 116 V HN -0.556 7.420 8.190 -0.357 0.000 0.452 117 F N -0.841 119.056 119.950 -0.087 0.000 2.134 117 F HA -0.331 4.260 4.527 0.106 0.000 0.299 117 F C 1.922 177.742 175.800 0.033 0.000 1.097 117 F CA 2.676 60.690 58.000 0.024 0.000 1.264 117 F CB -1.799 37.198 39.000 -0.006 0.000 1.001 117 F HN -0.062 7.865 8.300 -0.622 0.000 0.479 118 A N -1.164 121.673 122.820 0.027 0.000 1.933 118 A HA -0.364 3.842 4.320 -0.190 0.000 0.218 118 A C 2.179 179.699 177.584 -0.108 0.000 1.175 118 A CA 3.031 54.946 52.037 -0.204 0.000 0.628 118 A CB -1.062 17.528 19.000 -0.682 0.000 0.814 118 A HN 0.332 8.461 8.150 -0.035 0.000 0.444 119 S N -0.581 115.084 115.700 -0.057 0.000 2.348 119 S HA -0.424 4.021 4.470 -0.042 0.000 0.221 119 S C 1.542 175.991 174.600 -0.252 0.000 1.033 119 S CA 3.884 62.044 58.200 -0.067 0.000 1.010 119 S CB -0.096 63.167 63.200 0.105 0.000 0.891 119 S HN -0.566 7.618 8.310 -0.040 0.102 0.442 120 I N 2.312 122.716 120.570 -0.275 0.000 2.226 120 I HA -0.437 3.151 4.170 -0.970 0.000 0.245 120 I C 1.379 177.287 176.117 -0.348 0.000 1.100 120 I CA 1.384 62.390 61.300 -0.489 0.000 1.374 120 I CB -0.801 37.060 38.000 -0.232 0.000 1.057 120 I HN -0.604 7.578 8.210 -0.047 0.000 0.413 121 Y N -1.301 118.893 120.300 -0.177 0.000 2.224 121 Y HA -0.408 4.056 4.550 -0.143 0.000 0.289 121 Y C 2.653 178.469 175.900 -0.140 0.000 1.146 121 Y CA 3.965 61.979 58.100 -0.145 0.000 1.182 121 Y CB -0.474 37.917 38.460 -0.115 0.000 0.983 121 Y HN 0.023 8.402 8.280 0.165 0.000 0.524 122 S N -1.116 114.586 115.700 0.003 0.000 2.383 122 S HA -0.407 4.094 4.470 0.051 0.000 0.227 122 S C 2.076 176.640 174.600 -0.062 0.000 1.026 122 S CA 3.125 61.329 58.200 0.008 0.000 0.981 122 S CB -0.276 62.956 63.200 0.053 0.000 0.818 122 S HN 0.218 8.322 8.310 -0.016 0.197 0.472 123 M N 0.125 119.637 119.600 -0.147 0.000 2.213 123 M HA -0.245 4.175 4.480 -0.100 0.000 0.263 123 M C 2.327 178.539 176.300 -0.146 0.000 1.062 123 M CA 2.448 57.647 55.300 -0.169 0.000 1.105 123 M CB -0.812 31.601 32.600 -0.311 0.000 1.385 123 M HN 0.264 8.334 8.290 -0.206 0.097 0.417 124 T N -0.715 113.739 114.554 -0.166 0.000 2.777 124 T HA -0.321 3.968 4.350 -0.102 0.000 0.266 124 T C 1.206 175.866 174.700 -0.066 0.000 1.040 124 T CA 4.158 66.185 62.100 -0.122 0.000 1.141 124 T CB -0.591 68.178 68.868 -0.164 0.000 0.868 124 T HN -0.275 7.724 8.240 -0.200 0.121 0.444 125 A N 1.234 123.991 122.820 -0.105 0.000 1.902 125 A HA -0.251 4.026 4.320 -0.071 0.000 0.217 125 A C 1.915 179.341 177.584 -0.264 0.000 1.181 125 A CA 2.986 54.919 52.037 -0.174 0.000 0.623 125 A CB -0.975 17.850 19.000 -0.290 0.000 0.818 125 A HN -0.413 7.593 8.150 -0.096 0.086 0.443 126 V N -0.428 119.321 119.914 -0.274 0.000 2.332 126 V HA -0.374 3.966 4.120 -0.349 -0.429 0.248 126 V C 2.245 178.299 176.094 -0.067 0.000 1.055 126 V CA 3.719 65.897 62.300 -0.204 0.000 1.038 126 V CB -0.306 31.475 31.823 -0.069 0.000 0.651 126 V HN 0.026 8.014 8.190 -0.212 0.075 0.450 127 A N 0.263 123.073 122.820 -0.018 0.000 1.902 127 A HA -0.304 4.039 4.320 0.038 0.000 0.217 127 A C 1.571 179.197 177.584 0.069 0.000 1.181 127 A CA 3.096 55.154 52.037 0.036 0.000 0.623 127 A CB -0.790 18.236 19.000 0.044 0.000 0.818 127 A HN -0.202 7.820 8.150 -0.043 0.103 0.443 128 F N -0.753 119.180 119.950 -0.029 0.000 2.146 128 F HA -0.417 4.160 4.527 0.082 0.000 0.298 128 F C 0.915 176.748 175.800 0.054 0.000 1.096 128 F CA 3.695 61.715 58.000 0.033 0.000 1.275 128 F CB 0.461 39.466 39.000 0.008 0.000 1.008 128 F HN 0.122 8.456 8.300 0.186 0.077 0.480 129 D N -1.010 119.437 120.400 0.078 0.000 2.144 129 D HA -0.354 4.315 4.640 0.047 0.000 0.199 129 D C 2.510 178.765 176.300 -0.076 0.000 0.984 129 D CA 3.404 57.409 54.000 0.008 0.000 0.834 129 D CB -0.771 40.031 40.800 0.004 0.000 0.955 129 D HN 0.471 8.706 8.370 0.069 0.176 0.465 130 R N -0.603 119.867 120.500 -0.051 0.000 2.081 130 R HA -0.316 3.996 4.340 -0.047 0.000 0.235 130 R C 1.989 178.210 176.300 -0.133 0.000 1.131 130 R CA 2.917 58.983 56.100 -0.056 0.000 0.960 130 R CB -0.399 29.898 30.300 -0.003 0.000 0.856 130 R HN 0.061 8.225 8.270 -0.023 0.092 0.436 131 Y N 2.067 122.199 120.300 -0.281 0.000 2.181 131 Y HA -0.340 4.049 4.550 -0.269 0.000 0.288 131 Y C 1.795 177.439 175.900 -0.426 0.000 1.146 131 Y CA 3.468 61.356 58.100 -0.353 0.000 1.164 131 Y CB -0.186 38.006 38.460 -0.448 0.000 0.982 131 Y HN 0.058 8.216 8.280 -0.050 0.092 0.515 132 M N -1.509 117.714 119.600 -0.628 0.000 2.117 132 M HA -0.369 3.499 4.480 -1.019 0.000 0.262 132 M C 2.380 178.121 176.300 -0.932 0.000 1.065 132 M CA 1.994 56.781 55.300 -0.855 0.000 1.114 132 M CB -1.118 31.221 32.600 -0.435 0.000 1.361 132 M HN 0.250 8.184 8.290 -0.461 0.080 0.408 133 A N -0.058 122.471 122.820 -0.484 0.000 1.902 133 A HA -0.201 3.931 4.320 -0.314 0.000 0.217 133 A C 2.343 179.735 177.584 -0.320 0.000 1.181 133 A CA 2.805 54.648 52.037 -0.323 0.000 0.623 133 A CB -0.604 18.310 19.000 -0.143 0.000 0.818 133 A HN 0.171 8.033 8.150 -0.347 0.080 0.443 134 I N -2.181 118.187 120.570 -0.338 0.000 2.163 134 I HA -0.432 3.638 4.170 -0.166 0.000 0.240 134 I C 1.848 177.774 176.117 -0.318 0.000 1.081 134 I CA 3.559 64.699 61.300 -0.267 0.000 1.353 134 I CB 0.254 38.114 38.000 -0.233 0.000 1.054 134 I HN -0.118 7.875 8.210 -0.361 0.000 0.407 135 I N -4.313 115.942 120.570 -0.526 0.000 2.233 135 I HA -0.211 3.806 4.170 -0.256 0.000 0.243 135 I C 0.265 176.252 176.117 -0.216 0.000 1.093 135 I CA 1.719 62.786 61.300 -0.389 0.000 1.380 135 I CB 0.040 37.750 38.000 -0.484 0.000 1.067 135 I HN -0.215 7.525 8.210 -0.783 0.000 0.413 136 H N -2.983 115.955 119.070 -0.220 0.000 2.718 136 H HA 0.572 5.069 4.556 -0.097 0.000 0.295 136 H C -1.949 173.326 175.328 -0.088 0.000 1.051 136 H CA -3.283 52.691 56.048 -0.123 0.000 1.260 136 H CB 0.070 29.776 29.762 -0.093 0.000 1.403 136 H HN -0.156 7.536 8.280 -0.807 0.103 0.488 137 P HA -0.136 4.251 4.420 -0.054 0.000 0.230 137 P C -0.762 176.566 177.300 0.047 0.000 1.158 137 P CA 0.194 63.289 63.100 -0.008 0.000 0.769 137 P CB 0.482 32.177 31.700 -0.008 0.000 0.807 138 L N 0.304 121.587 121.223 0.099 0.000 2.654 138 L HA -0.127 4.240 4.340 0.045 0.000 0.271 138 L C 1.492 178.420 176.870 0.098 0.000 1.169 138 L CA 0.695 55.582 54.840 0.079 0.000 0.947 138 L CB -0.123 41.972 42.059 0.059 0.000 1.232 138 L HN -0.451 7.795 8.230 0.131 0.062 0.486 139 Q N 9.408 129.241 119.800 0.057 0.000 2.119 139 Q HA -0.126 4.254 4.340 0.067 0.000 0.201 139 Q C -0.982 175.053 176.000 0.058 0.000 0.972 139 Q CA 2.704 58.540 55.803 0.055 0.000 0.847 139 Q CB -1.064 27.692 28.738 0.031 0.000 0.903 139 Q HN 0.538 8.829 8.270 0.036 0.000 0.433 140 P HA -0.132 4.308 4.420 0.032 0.000 0.220 140 P C -1.178 176.145 177.300 0.039 0.000 1.148 140 P CA 1.062 64.182 63.100 0.034 0.000 0.803 140 P CB 0.061 31.773 31.700 0.019 0.000 0.782 141 R N -0.288 120.241 120.500 0.048 0.000 3.268 141 R HA 0.188 4.544 4.340 0.026 0.000 0.217 141 R C -0.985 175.373 176.300 0.096 0.000 1.568 141 R CA -0.058 56.066 56.100 0.040 0.000 1.322 141 R CB -1.324 28.956 30.300 -0.033 0.000 1.280 141 R HN -0.559 7.731 8.270 0.056 0.014 0.667 142 L N 2.492 123.764 121.223 0.082 0.000 2.940 142 L HA 0.109 4.520 4.340 0.117 0.000 0.247 142 L C -2.507 174.400 176.870 0.062 0.000 0.970 142 L CA 0.734 55.634 54.840 0.100 0.000 1.003 142 L CB 1.981 44.117 42.059 0.128 0.000 1.552 142 L HN 0.213 8.434 8.230 0.056 0.043 0.432 143 S N 1.095 116.823 115.700 0.047 0.000 2.546 143 S HA 0.306 4.779 4.470 0.005 0.000 0.274 143 S C -0.065 174.502 174.600 -0.055 0.000 1.121 143 S CA -1.681 56.521 58.200 0.002 0.000 0.887 143 S CB 2.528 65.724 63.200 -0.007 0.000 1.094 143 S HN 0.214 8.565 8.310 0.069 0.000 0.474 144 A N 6.721 129.472 122.820 -0.116 0.000 1.898 144 A HA -0.063 3.994 4.320 -0.438 0.000 0.216 144 A C 1.320 178.706 177.584 -0.329 0.000 1.181 144 A CA 2.365 54.211 52.037 -0.318 0.000 0.620 144 A CB -0.145 18.684 19.000 -0.285 0.000 0.819 144 A HN 0.717 8.827 8.150 -0.067 0.000 0.442 145 T N 1.066 115.517 114.554 -0.171 0.000 2.788 145 T HA -0.346 3.914 4.350 -0.149 0.000 0.268 145 T C 1.521 176.157 174.700 -0.106 0.000 1.044 145 T CA 4.766 66.790 62.100 -0.128 0.000 1.139 145 T CB -0.308 68.519 68.868 -0.068 0.000 0.867 145 T HN -0.499 7.662 8.240 -0.116 0.009 0.454 146 A N 0.453 123.231 122.820 -0.070 0.000 1.933 146 A HA -0.119 4.196 4.320 -0.007 0.000 0.218 146 A C 2.116 179.690 177.584 -0.017 0.000 1.175 146 A CA 3.284 55.311 52.037 -0.018 0.000 0.628 146 A CB -1.123 17.894 19.000 0.028 0.000 0.814 146 A HN 0.195 8.208 8.150 -0.066 0.097 0.444 147 T N 1.087 115.580 114.554 -0.101 0.000 2.720 147 T HA -0.382 4.027 4.350 0.099 0.000 0.268 147 T C 2.349 176.955 174.700 -0.157 0.000 1.037 147 T CA 4.368 66.376 62.100 -0.153 0.000 1.144 147 T CB -0.582 67.978 68.868 -0.513 0.000 0.864 147 T HN -0.685 7.337 8.240 -0.162 0.121 0.444 148 K N 1.425 121.706 120.400 -0.198 0.000 2.057 148 K HA -0.228 4.043 4.320 -0.082 0.000 0.207 148 K C 2.443 179.037 176.600 -0.009 0.000 1.049 148 K CA 2.999 59.226 56.287 -0.101 0.000 0.931 148 K CB -0.643 31.797 32.500 -0.100 0.000 0.714 148 K HN -0.511 7.500 8.250 -0.266 0.079 0.440 149 V N 0.356 120.266 119.914 -0.008 0.000 2.343 149 V HA -0.509 3.625 4.120 0.023 0.000 0.247 149 V C 1.800 177.936 176.094 0.070 0.000 1.051 149 V CA 4.220 66.535 62.300 0.026 0.000 1.036 149 V CB -0.207 31.625 31.823 0.016 0.000 0.654 149 V HN -0.410 7.672 8.190 -0.039 0.085 0.451 150 V N 0.571 120.546 119.914 0.101 0.000 2.343 150 V HA -0.545 3.646 4.120 0.119 0.000 0.247 150 V C 2.068 178.284 176.094 0.203 0.000 1.051 150 V CA 4.381 66.779 62.300 0.164 0.000 1.036 150 V CB -0.289 31.698 31.823 0.273 0.000 0.654 150 V HN 0.332 8.365 8.190 0.079 0.205 0.451 151 I N -0.640 120.064 120.570 0.223 0.000 2.226 151 I HA -0.501 3.859 4.170 0.315 0.000 0.245 151 I C 1.712 178.034 176.117 0.341 0.000 1.100 151 I CA 2.613 64.084 61.300 0.285 0.000 1.374 151 I CB -1.813 36.340 38.000 0.255 0.000 1.057 151 I HN 0.270 8.389 8.210 0.158 0.186 0.413 152 C N 0.647 120.093 119.300 0.244 0.000 2.425 152 C HA -0.395 4.264 4.460 0.331 0.000 0.277 152 C C 2.034 177.159 174.990 0.226 0.000 1.280 152 C CA 3.415 62.575 59.018 0.237 0.000 1.744 152 C CB -1.836 25.963 27.740 0.100 0.000 1.989 152 C HN 0.124 8.375 8.230 0.160 0.076 0.491 153 V N 1.688 121.690 119.914 0.146 0.000 2.343 153 V HA -0.412 3.750 4.120 0.070 0.000 0.247 153 V C 2.020 178.153 176.094 0.064 0.000 1.051 153 V CA 4.143 66.495 62.300 0.086 0.000 1.036 153 V CB -1.006 30.849 31.823 0.054 0.000 0.654 153 V HN -0.128 8.036 8.190 0.137 0.109 0.451 154 I N 0.613 121.226 120.570 0.072 0.000 2.226 154 I HA -0.422 3.680 4.170 -0.113 0.000 0.245 154 I C 1.661 177.727 176.117 -0.085 0.000 1.100 154 I CA 3.042 64.314 61.300 -0.047 0.000 1.374 154 I CB -0.717 37.259 38.000 -0.040 0.000 1.057 154 I HN -0.222 7.977 8.210 0.131 0.090 0.413 155 W N -1.600 119.718 121.300 0.031 0.000 2.363 155 W HA -0.393 4.309 4.660 0.071 0.000 0.296 155 W C 2.401 178.931 176.519 0.017 0.000 1.212 155 W CA 4.045 61.419 57.345 0.048 0.000 1.260 155 W CB -0.574 28.927 29.460 0.068 0.000 1.131 155 W HN -0.391 7.893 8.180 0.305 0.079 0.530 156 V N -1.236 118.801 119.914 0.204 0.000 2.295 156 V HA -0.515 3.689 4.120 0.139 0.000 0.246 156 V C 2.183 178.287 176.094 0.018 0.000 1.049 156 V CA 3.830 66.192 62.300 0.105 0.000 1.024 156 V CB -0.819 31.035 31.823 0.052 0.000 0.648 156 V HN -0.031 8.170 8.190 0.204 0.111 0.447 157 L N -1.040 120.127 121.223 -0.094 0.000 2.083 157 L HA -0.366 3.872 4.340 -0.171 0.000 0.209 157 L C 1.969 178.681 176.870 -0.264 0.000 1.083 157 L CA 3.187 57.886 54.840 -0.235 0.000 0.752 157 L CB -1.452 40.337 42.059 -0.450 0.000 0.899 157 L HN 0.023 8.201 8.230 -0.088 0.000 0.433 158 A N -0.592 122.105 122.820 -0.204 0.000 1.908 158 A HA -0.392 3.807 4.320 -0.201 0.000 0.218 158 A C 1.942 179.572 177.584 0.076 0.000 1.181 158 A CA 3.230 55.216 52.037 -0.085 0.000 0.627 158 A CB -0.701 18.295 19.000 -0.007 0.000 0.818 158 A HN 0.359 8.316 8.150 -0.170 0.091 0.445 159 L N -2.885 118.438 121.223 0.167 0.000 2.131 159 L HA -0.263 4.349 4.340 0.454 0.000 0.210 159 L C 2.040 179.052 176.870 0.237 0.000 1.092 159 L CA 3.204 58.229 54.840 0.309 0.000 0.759 159 L CB -1.340 40.903 42.059 0.306 0.000 0.903 159 L HN 0.286 8.523 8.230 0.154 0.086 0.435 160 L N -1.943 119.315 121.223 0.059 0.000 2.042 160 L HA -0.339 4.047 4.340 0.077 0.000 0.210 160 L C 2.554 179.427 176.870 0.005 0.000 1.076 160 L CA 3.161 58.012 54.840 0.018 0.000 0.749 160 L CB -1.314 40.697 42.059 -0.079 0.000 0.893 160 L HN -0.886 7.191 8.230 -0.004 0.150 0.432 161 L N -3.810 117.318 121.223 -0.159 0.000 2.127 161 L HA -0.302 3.975 4.340 -0.104 0.000 0.203 161 L C 1.886 178.867 176.870 0.185 0.000 1.080 161 L CA 2.066 56.785 54.840 -0.203 0.000 0.768 161 L CB 0.047 41.599 42.059 -0.845 0.000 0.924 161 L HN -0.697 7.372 8.230 -0.270 0.000 0.444 162 A N -1.766 121.250 122.820 0.326 0.000 1.933 162 A HA -0.295 4.345 4.320 0.534 0.000 0.218 162 A C 2.132 180.101 177.584 0.642 0.000 1.175 162 A CA 2.944 55.243 52.037 0.437 0.000 0.628 162 A CB -0.390 18.543 19.000 -0.111 0.000 0.814 162 A HN 0.195 8.361 8.150 0.205 0.107 0.444 163 F N -1.407 118.903 119.950 0.600 0.000 2.206 163 F HA -0.120 4.597 4.527 0.317 0.000 0.298 163 F C -1.414 174.519 175.800 0.223 0.000 1.090 163 F CA 3.856 62.080 58.000 0.373 0.000 1.323 163 F CB -1.515 37.583 39.000 0.162 0.000 1.028 163 F HN 0.354 8.910 8.300 0.664 0.142 0.492 164 P HA -0.179 4.480 4.420 0.398 0.000 0.219 164 P C 0.190 177.567 177.300 0.130 0.000 1.146 164 P CA 2.361 65.665 63.100 0.341 0.000 0.808 164 P CB -0.574 31.379 31.700 0.421 0.000 0.779 165 Q N -3.962 115.841 119.800 0.005 0.000 2.170 165 Q HA -0.279 3.771 4.340 -0.483 0.000 0.203 165 Q C 2.292 178.118 176.000 -0.290 0.000 0.976 165 Q CA 2.763 58.416 55.803 -0.249 0.000 0.858 165 Q CB -0.314 28.332 28.738 -0.153 0.000 0.907 165 Q HN -0.206 8.160 8.270 0.195 0.021 0.433 166 G N -2.001 106.555 108.800 -0.406 0.000 2.418 166 G HA2 -0.261 3.361 3.960 -0.563 0.000 0.217 166 G HA3 -0.261 3.115 3.960 -0.972 0.000 0.217 166 G C -0.220 174.463 174.900 -0.362 0.000 1.158 166 G CA 0.544 45.294 45.100 -0.583 0.000 0.771 166 G HN -0.422 7.507 8.290 -0.426 0.105 0.545 167 Y N 2.229 122.408 120.300 -0.202 0.000 2.426 167 Y HA -0.233 4.303 4.550 -0.024 0.000 0.344 167 Y C -0.408 175.413 175.900 -0.132 0.000 1.256 167 Y CA -0.392 57.684 58.100 -0.041 0.000 1.451 167 Y CB 1.311 39.842 38.460 0.119 0.000 1.342 167 Y HN -0.701 7.521 8.280 0.043 0.084 0.600 168 Y N 2.138 122.022 120.300 -0.694 0.000 2.802 168 Y HA -0.293 4.096 4.550 -0.268 0.000 0.351 168 Y C -0.514 175.348 175.900 -0.064 0.000 1.237 168 Y CA 2.116 60.019 58.100 -0.330 0.000 1.599 168 Y CB -0.838 37.422 38.460 -0.333 0.000 1.214 168 Y HN 0.225 7.619 8.280 -1.477 0.000 0.520 169 S N 1.654 117.323 115.700 -0.051 0.000 2.843 169 S HA 0.278 4.907 4.470 0.015 -0.150 0.301 169 S C -0.696 173.770 174.600 -0.223 0.000 1.206 169 S CA -2.109 56.004 58.200 -0.144 0.000 0.875 169 S CB 2.816 65.739 63.200 -0.462 0.000 1.248 169 S HN -0.522 7.678 8.310 -0.184 0.000 0.555 170 T N -1.363 112.976 114.554 -0.360 0.000 2.640 170 T HA -0.115 4.157 4.350 -0.130 0.000 0.316 170 T C -0.459 174.087 174.700 -0.256 0.000 1.036 170 T CA 0.283 62.243 62.100 -0.233 0.000 1.009 170 T CB 0.795 69.565 68.868 -0.163 0.000 1.017 170 T HN 0.133 7.995 8.240 -0.630 0.000 0.530 171 T N -4.608 109.818 114.554 -0.214 0.000 2.677 171 T HA 0.070 4.292 4.350 -0.213 0.000 0.305 171 T C -2.224 172.324 174.700 -0.253 0.000 1.569 171 T CA -0.860 61.108 62.100 -0.221 0.000 0.984 171 T CB 2.745 71.487 68.868 -0.209 0.000 1.629 171 T HN -0.204 7.921 8.240 -0.192 0.000 0.494 172 E N -4.545 115.506 120.200 -0.248 0.000 5.984 172 E HA 0.005 4.226 4.350 -0.214 0.000 0.550 172 E C -1.902 174.521 176.600 -0.296 0.000 1.286 172 E CA 0.101 56.341 56.400 -0.266 0.000 3.025 172 E CB 1.328 30.854 29.700 -0.289 0.000 0.790 172 E HN 0.326 8.557 8.360 -0.215 0.000 0.264 173 T N -2.300 112.085 114.554 -0.283 0.000 2.913 173 T HA 0.271 4.554 4.350 -0.354 -0.146 0.287 173 T C 0.055 174.648 174.700 -0.179 0.000 1.008 173 T CA -0.830 61.090 62.100 -0.300 0.000 1.067 173 T CB 0.764 69.429 68.868 -0.338 0.000 0.996 173 T HN 0.240 8.337 8.240 -0.239 0.000 0.513 174 M N 1.119 120.661 119.600 -0.096 0.000 2.159 174 M HA 0.291 4.866 4.480 0.158 0.000 0.293 174 M C -0.437 175.870 176.300 0.010 0.000 1.186 174 M CA -1.325 54.021 55.300 0.077 0.000 1.073 174 M CB -1.006 31.726 32.600 0.219 0.000 1.419 174 M HN 0.533 8.724 8.290 -0.166 0.000 0.490 175 P HA -0.257 4.143 4.420 -0.033 0.000 0.212 175 P C 0.816 178.059 177.300 -0.095 0.000 1.174 175 P CA 2.858 65.935 63.100 -0.038 0.000 0.934 175 P CB -0.118 31.546 31.700 -0.060 0.000 0.791 176 S N -2.358 113.252 115.700 -0.150 0.000 2.803 176 S HA -0.122 4.227 4.470 -0.202 0.000 0.228 176 S C -0.499 174.018 174.600 -0.138 0.000 0.953 176 S CA 0.072 58.159 58.200 -0.189 0.000 0.983 176 S CB -0.294 62.739 63.200 -0.279 0.000 0.784 176 S HN -0.068 8.152 8.310 -0.150 0.000 0.498 177 R N -0.130 120.271 120.500 -0.164 0.000 2.500 177 R HA 0.118 4.308 4.340 -0.251 0.000 0.277 177 R C -1.382 174.519 176.300 -0.666 0.000 1.026 177 R CA -1.919 54.002 56.100 -0.300 0.000 1.058 177 R CB 1.917 32.108 30.300 -0.180 0.000 1.078 177 R HN -0.329 7.759 8.270 -0.126 0.106 0.509 178 V N 2.511 121.688 119.914 -1.229 0.000 2.384 178 V HA 0.186 3.777 4.120 -0.881 0.000 0.257 178 V C -2.051 173.750 176.094 -0.489 0.000 0.969 178 V CA -0.686 60.851 62.300 -1.272 0.000 0.910 178 V CB -0.054 31.077 31.823 -1.154 0.000 1.150 178 V HN 0.193 7.825 8.190 -0.930 0.000 0.481 179 V N 0.566 120.270 119.914 -0.351 0.000 2.888 179 V HA 0.255 4.249 4.120 -0.209 0.000 0.309 179 V C -2.665 173.270 176.094 -0.265 0.000 1.114 179 V CA -2.226 59.939 62.300 -0.226 0.000 0.940 179 V CB 3.655 35.381 31.823 -0.162 0.000 1.021 179 V HN -0.421 7.491 8.190 -0.371 0.055 0.426 180 c N 7.133 125.598 118.600 -0.225 0.000 2.456 180 c HA 0.591 5.078 4.570 -0.259 -0.073 0.325 180 c C -1.097 172.944 174.090 -0.081 0.000 1.217 180 c CA -0.615 55.579 56.329 -0.224 0.000 1.687 180 c CB 2.384 44.723 42.510 -0.284 0.000 2.270 180 c HN 0.559 8.704 8.230 -0.142 0.000 0.499 181 M N 0.743 120.275 119.600 -0.112 0.000 3.079 181 M HA 0.325 4.911 4.480 0.032 -0.086 0.277 181 M C -1.623 174.473 176.300 -0.340 0.000 1.317 181 M CA -2.116 53.144 55.300 -0.067 0.000 0.793 181 M CB 4.269 37.043 32.600 0.289 0.000 1.690 181 M HN 0.951 9.007 8.290 -0.210 0.109 0.451 182 I N 0.609 120.969 120.570 -0.349 0.000 2.754 182 I HA -0.136 3.935 4.170 -0.165 0.000 0.285 182 I C -0.118 175.477 176.117 -0.870 0.000 1.166 182 I CA -0.322 60.785 61.300 -0.322 0.000 1.417 182 I CB 1.426 39.529 38.000 0.172 0.000 1.382 182 I HN -0.066 8.126 8.210 -0.031 0.000 0.588 183 E N 8.491 128.420 120.200 -0.452 0.000 1.791 183 E HA -0.121 3.821 4.350 -0.673 0.005 0.263 183 E C -0.490 175.989 176.600 -0.202 0.000 1.213 183 E CA -0.541 55.597 56.400 -0.435 0.000 0.991 183 E CB -1.459 28.118 29.700 -0.204 0.000 1.068 183 E HN 0.025 8.251 8.360 -0.224 0.000 0.417 184 W N 1.808 123.130 121.300 0.037 0.000 2.476 184 W HA 0.306 5.102 4.660 0.227 0.000 0.281 184 W C -1.287 175.230 176.519 -0.004 0.000 1.230 184 W CA 1.216 58.609 57.345 0.079 0.000 1.287 184 W CB -2.682 26.810 29.460 0.053 0.000 1.108 184 W HN -0.279 6.945 8.180 -1.534 0.036 0.567 185 P HA -0.126 4.311 4.420 0.028 0.000 0.215 185 P C -0.337 176.948 177.300 -0.025 0.000 1.157 185 P CA 1.510 64.615 63.100 0.008 0.000 0.859 185 P CB 0.186 31.860 31.700 -0.043 0.000 0.786 186 E N -5.607 114.570 120.200 -0.038 0.000 2.316 186 E HA 0.097 4.438 4.350 -0.014 0.000 0.258 186 E C -1.675 174.929 176.600 0.006 0.000 0.952 186 E CA -1.586 54.781 56.400 -0.055 0.000 0.818 186 E CB 3.597 33.204 29.700 -0.155 0.000 1.260 186 E HN -0.737 7.765 8.360 -0.061 -0.178 0.416 187 H N -4.224 114.821 119.070 -0.042 0.000 2.533 187 H HA 0.589 5.578 4.556 0.031 -0.414 0.281 187 H C -2.205 173.099 175.328 -0.041 0.000 1.238 187 H CA -3.818 52.220 56.048 -0.016 0.000 1.024 187 H CB -1.403 28.343 29.762 -0.027 0.000 1.604 187 H HN 0.235 8.206 8.280 -0.514 0.000 0.531 188 P HA -0.166 4.103 4.420 -0.251 0.000 0.247 188 P C 0.245 177.471 177.300 -0.123 0.000 1.141 188 P CA 0.437 63.433 63.100 -0.173 0.000 0.858 188 P CB 0.154 31.784 31.700 -0.117 0.000 0.804 189 N N 4.447 123.051 118.700 -0.159 0.000 2.120 189 N HA -0.337 4.330 4.740 -0.206 -0.051 0.188 189 N C 2.036 177.356 175.510 -0.317 0.000 1.024 189 N CA 2.951 55.877 53.050 -0.207 0.000 0.852 189 N CB -0.482 37.916 38.487 -0.148 0.000 1.003 189 N HN 0.399 8.664 8.380 -0.191 0.000 0.424 190 K N 0.262 120.570 120.400 -0.153 0.000 2.097 190 K HA -0.193 4.084 4.320 -0.071 0.000 0.206 190 K C 1.165 177.809 176.600 0.073 0.000 1.049 190 K CA 2.040 58.291 56.287 -0.060 0.000 0.933 190 K CB -1.008 31.481 32.500 -0.018 0.000 0.717 190 K HN 0.302 8.481 8.250 -0.118 0.000 0.442 191 I N -5.368 115.233 120.570 0.051 0.000 2.394 191 I HA -0.314 3.973 4.170 0.195 0.000 0.251 191 I C -0.770 175.523 176.117 0.293 0.000 1.136 191 I CA 1.137 62.522 61.300 0.141 0.000 1.425 191 I CB 0.452 38.472 38.000 0.034 0.000 1.079 191 I HN -0.813 7.278 8.210 -0.030 0.101 0.425 192 Y N -5.512 114.834 120.300 0.077 0.000 3.091 192 Y HA -0.445 4.181 4.550 0.127 0.000 0.189 192 Y C -0.034 175.956 175.900 0.151 0.000 1.520 192 Y CA 0.310 58.482 58.100 0.120 0.000 1.121 192 Y CB -3.042 35.497 38.460 0.131 0.000 1.411 192 Y HN -0.414 7.590 8.280 -0.172 0.173 0.459 193 E N 0.822 121.146 120.200 0.208 0.000 2.047 193 E HA -0.461 4.008 4.350 0.198 0.000 0.191 193 E C 1.161 177.963 176.600 0.338 0.000 0.987 193 E CA 3.494 60.030 56.400 0.228 0.000 0.799 193 E CB 0.204 29.997 29.700 0.155 0.000 0.752 193 E HN -0.580 7.851 8.360 0.118 0.000 0.449 194 K N -0.788 119.809 120.400 0.329 0.000 2.063 194 K HA -0.299 4.345 4.320 0.539 0.000 0.208 194 K C 2.131 178.914 176.600 0.305 0.000 1.048 194 K CA 3.664 60.190 56.287 0.398 0.000 0.928 194 K CB -0.564 32.149 32.500 0.355 0.000 0.713 194 K HN 0.297 8.710 8.250 0.272 0.000 0.442 195 V N -2.956 117.138 119.914 0.301 0.000 2.343 195 V HA -0.420 3.809 4.120 0.181 0.000 0.247 195 V C 1.438 177.677 176.094 0.242 0.000 1.051 195 V CA 3.722 66.168 62.300 0.243 0.000 1.036 195 V CB -0.317 31.659 31.823 0.255 0.000 0.654 195 V HN -0.129 8.259 8.190 0.329 0.000 0.451 196 Y N 0.479 120.897 120.300 0.196 0.000 2.181 196 Y HA -0.475 4.163 4.550 0.148 0.000 0.288 196 Y C 1.092 177.125 175.900 0.221 0.000 1.146 196 Y CA 3.715 61.928 58.100 0.188 0.000 1.164 196 Y CB -0.150 38.432 38.460 0.203 0.000 0.982 196 Y HN -0.859 7.696 8.280 0.476 0.011 0.515 197 H N 0.377 119.623 119.070 0.294 0.000 2.293 197 H HA -0.398 4.500 4.556 0.570 0.000 0.300 197 H C 2.175 177.580 175.328 0.128 0.000 1.082 197 H CA 4.533 60.760 56.048 0.298 0.000 1.308 197 H CB 0.178 30.016 29.762 0.126 0.000 1.375 197 H HN -0.283 8.284 8.280 0.501 0.014 0.495 198 I N -1.568 119.068 120.570 0.109 0.000 2.252 198 I HA -0.549 3.651 4.170 0.050 0.000 0.245 198 I C 1.410 177.515 176.117 -0.021 0.000 1.102 198 I CA 4.358 65.662 61.300 0.008 0.000 1.385 198 I CB -0.072 37.900 38.000 -0.047 0.000 1.064 198 I HN -0.656 7.599 8.210 0.074 0.000 0.414 199 C N 0.196 119.476 119.300 -0.034 0.000 2.413 199 C HA -0.373 4.051 4.460 -0.060 0.000 0.276 199 C C 2.188 177.100 174.990 -0.131 0.000 1.236 199 C CA 4.397 63.363 59.018 -0.087 0.000 1.735 199 C CB -1.861 25.805 27.740 -0.125 0.000 2.031 199 C HN -0.276 7.951 8.230 0.003 0.005 0.474 200 V N -0.257 119.545 119.914 -0.186 0.000 2.307 200 V HA -0.462 3.500 4.120 -0.263 0.000 0.245 200 V C 2.306 178.350 176.094 -0.083 0.000 1.045 200 V CA 4.807 66.996 62.300 -0.186 0.000 1.024 200 V CB -0.885 30.870 31.823 -0.113 0.000 0.651 200 V HN 0.603 8.581 8.190 -0.178 0.106 0.449 201 T N 2.687 117.169 114.554 -0.121 0.000 2.674 201 T HA -0.368 3.914 4.350 -0.114 0.000 0.265 201 T C 2.176 177.012 174.700 0.228 0.000 1.039 201 T CA 5.733 67.793 62.100 -0.067 0.000 1.150 201 T CB -0.347 68.431 68.868 -0.149 0.000 0.864 201 T HN -0.510 7.652 8.240 -0.131 0.000 0.427 202 V N 1.413 121.399 119.914 0.120 0.000 2.261 202 V HA -0.555 3.735 4.120 0.283 0.000 0.246 202 V C 1.541 177.694 176.094 0.099 0.000 1.047 202 V CA 4.522 66.897 62.300 0.124 0.000 1.015 202 V CB -0.235 31.569 31.823 -0.032 0.000 0.642 202 V HN -0.317 7.880 8.190 0.012 0.000 0.446 203 L N -1.820 119.413 121.223 0.017 0.000 2.005 203 L HA -0.316 4.024 4.340 0.001 0.000 0.207 203 L C 2.192 179.080 176.870 0.030 0.000 1.072 203 L CA 3.731 58.571 54.840 -0.001 0.000 0.744 203 L CB -0.393 41.639 42.059 -0.045 0.000 0.895 203 L HN -0.284 7.936 8.230 -0.016 0.000 0.433 204 I N -2.528 118.052 120.570 0.016 0.000 2.235 204 I HA -0.253 4.093 4.170 0.293 0.000 0.241 204 I C 0.787 176.962 176.117 0.097 0.000 1.085 204 I CA 1.848 63.210 61.300 0.104 0.000 1.378 204 I CB 0.242 38.147 38.000 -0.159 0.000 1.076 204 I HN 0.022 8.105 8.210 -0.031 0.109 0.415 205 Y N -2.169 118.104 120.300 -0.045 0.000 2.177 205 Y HA -0.345 4.060 4.550 -0.240 0.000 0.291 205 Y C 1.607 177.286 175.900 -0.370 0.000 1.117 205 Y CA 3.167 61.094 58.100 -0.288 0.000 1.114 205 Y CB 1.168 39.218 38.460 -0.684 0.000 1.017 205 Y HN -0.616 7.791 8.280 0.212 0.000 0.505 206 F N -1.456 118.347 119.950 -0.246 0.000 2.113 206 F HA -0.371 3.889 4.527 -0.445 0.000 0.297 206 F C 2.106 177.730 175.800 -0.294 0.000 1.103 206 F CA 4.916 62.748 58.000 -0.281 0.000 1.248 206 F CB 0.246 39.196 39.000 -0.083 0.000 0.999 206 F HN 0.015 8.485 8.300 0.283 0.000 0.475 207 L N -0.733 120.464 121.223 -0.042 0.000 2.017 207 L HA -0.105 4.207 4.340 -0.047 0.000 0.208 207 L C -1.262 175.481 176.870 -0.213 0.000 1.073 207 L CA 5.017 59.802 54.840 -0.093 0.000 0.745 207 L CB -2.897 39.123 42.059 -0.065 0.000 0.894 207 L HN 0.599 8.837 8.230 0.014 0.000 0.432 208 P HA -0.146 4.044 4.420 -0.384 0.000 0.220 208 P C 1.552 178.605 177.300 -0.411 0.000 1.148 208 P CA 2.702 65.510 63.100 -0.487 0.000 0.803 208 P CB -0.611 30.542 31.700 -0.910 0.000 0.782 209 L N -1.694 119.241 121.223 -0.480 0.000 2.056 209 L HA -0.308 3.797 4.340 -0.392 0.000 0.207 209 L C 1.420 178.158 176.870 -0.219 0.000 1.078 209 L CA 3.023 57.604 54.840 -0.432 0.000 0.749 209 L CB -0.176 41.481 42.059 -0.670 0.000 0.901 209 L HN -0.576 7.183 8.230 -0.553 0.138 0.433 210 L N -1.506 119.625 121.223 -0.154 0.000 2.046 210 L HA -0.428 3.899 4.340 -0.023 0.000 0.208 210 L C 2.144 179.007 176.870 -0.011 0.000 1.077 210 L CA 3.523 58.333 54.840 -0.051 0.000 0.747 210 L CB -0.440 41.602 42.059 -0.028 0.000 0.896 210 L HN -0.115 7.914 8.230 -0.184 0.090 0.432 211 V N -0.190 119.694 119.914 -0.049 0.000 2.343 211 V HA -0.567 3.601 4.120 0.080 0.000 0.247 211 V C 1.441 177.565 176.094 0.049 0.000 1.051 211 V CA 4.522 66.831 62.300 0.015 0.000 1.036 211 V CB 0.013 31.813 31.823 -0.039 0.000 0.654 211 V HN -0.042 8.080 8.190 -0.113 0.000 0.451 212 I N -0.510 120.039 120.570 -0.037 0.000 2.226 212 I HA -0.488 3.685 4.170 0.005 0.000 0.245 212 I C 2.056 178.195 176.117 0.036 0.000 1.100 212 I CA 4.032 65.319 61.300 -0.022 0.000 1.374 212 I CB -0.526 37.417 38.000 -0.094 0.000 1.057 212 I HN -0.263 7.881 8.210 -0.111 0.000 0.413 213 G N -0.793 108.022 108.800 0.024 0.000 2.418 213 G HA2 -0.338 3.645 3.960 0.039 0.000 0.217 213 G HA3 -0.338 3.644 3.960 0.036 0.000 0.217 213 G C 0.958 175.932 174.900 0.124 0.000 1.158 213 G CA 2.040 47.177 45.100 0.062 0.000 0.771 213 G HN 0.071 8.271 8.290 -0.019 0.079 0.545 214 Y N 3.548 123.854 120.300 0.010 0.000 2.163 214 Y HA -0.433 4.117 4.550 -0.000 0.000 0.288 214 Y C 1.215 177.099 175.900 -0.027 0.000 1.136 214 Y CA 2.730 60.824 58.100 -0.011 0.000 1.147 214 Y CB 0.048 38.483 38.460 -0.042 0.000 0.987 214 Y HN 0.241 8.435 8.280 0.194 0.202 0.509 215 A N -1.759 121.003 122.820 -0.097 0.000 1.972 215 A HA -0.384 3.664 4.320 -0.454 0.000 0.219 215 A C 1.513 178.974 177.584 -0.204 0.000 1.169 215 A CA 2.860 54.769 52.037 -0.215 0.000 0.635 215 A CB -1.279 17.716 19.000 -0.008 0.000 0.810 215 A HN 0.764 8.867 8.150 0.116 0.117 0.446 216 Y N -1.973 118.229 120.300 -0.164 0.000 2.181 216 Y HA -0.402 4.103 4.550 -0.076 0.000 0.288 216 Y C 1.694 177.493 175.900 -0.168 0.000 1.146 216 Y CA 3.321 61.352 58.100 -0.115 0.000 1.164 216 Y CB -0.189 38.233 38.460 -0.063 0.000 0.982 216 Y HN 0.137 8.275 8.280 0.097 0.200 0.515 217 T N 0.173 114.583 114.554 -0.240 0.000 2.788 217 T HA -0.362 3.819 4.350 -0.283 0.000 0.268 217 T C 2.491 176.928 174.700 -0.437 0.000 1.044 217 T CA 3.509 65.416 62.100 -0.320 0.000 1.139 217 T CB -0.544 68.186 68.868 -0.230 0.000 0.867 217 T HN -0.464 7.558 8.240 -0.156 0.124 0.454 218 V N 2.870 122.467 119.914 -0.530 0.000 2.407 218 V HA -0.432 3.495 4.120 -0.322 0.000 0.248 218 V C 1.040 177.000 176.094 -0.223 0.000 1.055 218 V CA 3.314 65.386 62.300 -0.380 0.000 1.049 218 V CB -0.131 31.416 31.823 -0.460 0.000 0.662 218 V HN -0.412 7.284 8.190 -0.684 0.084 0.455 219 V N -2.030 117.728 119.914 -0.260 0.000 2.720 219 V HA -0.351 3.709 4.120 -0.099 0.000 0.256 219 V C 2.080 177.988 176.094 -0.311 0.000 1.082 219 V CA 2.958 65.124 62.300 -0.224 0.000 1.101 219 V CB -0.462 31.210 31.823 -0.251 0.000 0.693 219 V HN -0.472 7.428 8.190 -0.333 0.090 0.479 220 G N -0.198 108.325 108.800 -0.461 0.000 2.418 220 G HA2 -0.265 3.361 3.960 -0.558 0.000 0.217 220 G HA3 -0.265 3.399 3.960 -0.550 -0.033 0.217 220 G C 0.848 175.494 174.900 -0.423 0.000 1.158 220 G CA 2.002 46.794 45.100 -0.513 0.000 0.771 220 G HN -0.302 7.489 8.290 -0.503 0.198 0.545 221 I N 0.695 121.088 120.570 -0.294 0.000 2.226 221 I HA -0.217 3.795 4.170 -0.264 0.000 0.245 221 I C 1.430 177.457 176.117 -0.149 0.000 1.100 221 I CA 1.155 62.324 61.300 -0.218 0.000 1.374 221 I CB -0.387 37.526 38.000 -0.145 0.000 1.057 221 I HN -0.482 7.566 8.210 -0.271 0.000 0.413 222 T N -2.083 112.400 114.554 -0.118 0.000 4.893 222 T HA -0.177 4.142 4.350 -0.053 0.000 0.358 222 T C -0.177 174.510 174.700 -0.022 0.000 1.100 222 T CA -0.948 61.111 62.100 -0.069 0.000 0.912 222 T CB 1.132 69.950 68.868 -0.082 0.000 1.794 222 T HN -0.862 7.224 8.240 -0.138 0.071 0.457 223 L N 1.469 122.692 121.223 -0.000 0.000 2.540 223 L HA -0.224 4.171 4.340 0.092 0.000 0.276 223 L C -1.058 175.891 176.870 0.132 0.000 1.212 223 L CA 0.643 55.522 54.840 0.064 0.000 0.893 223 L CB -0.559 41.526 42.059 0.044 0.000 1.138 223 L HN -0.012 8.199 8.230 -0.032 0.000 0.491 224 W N 5.444 126.721 121.300 -0.038 0.000 3.330 224 W HA 0.148 4.769 4.660 -0.066 0.000 0.364 224 W C -0.974 175.545 176.519 0.000 0.000 1.369 224 W CA -1.732 55.592 57.345 -0.034 0.000 1.094 224 W CB 1.802 31.246 29.460 -0.027 0.000 1.857 224 W HN 0.035 8.371 8.180 0.260 0.000 0.646 225 A N 1.086 123.833 122.820 -0.121 0.000 1.902 225 A HA -0.174 4.124 4.320 -0.038 0.000 0.217 225 A C -0.091 177.354 177.584 -0.233 0.000 1.181 225 A CA 1.124 53.014 52.037 -0.245 0.000 0.623 225 A CB -0.211 18.515 19.000 -0.457 0.000 0.818 225 A HN 0.099 7.756 8.150 -0.821 0.000 0.443 226 S N 0.088 115.581 115.700 -0.345 0.000 2.525 226 S HA -0.083 4.262 4.470 -0.208 0.000 0.285 226 S C -1.510 173.053 174.600 -0.063 0.000 1.283 226 S CA 0.787 58.866 58.200 -0.201 0.000 1.072 226 S CB 0.359 63.451 63.200 -0.180 0.000 0.867 226 S HN -0.435 7.520 8.310 -0.592 0.000 0.492 227 E N 3.930 124.101 120.200 -0.049 0.000 2.311 227 E HA 0.142 4.496 4.350 0.008 0.000 0.281 227 E C -2.332 174.259 176.600 -0.015 0.000 0.905 227 E CA -1.357 55.037 56.400 -0.010 0.000 0.778 227 E CB 2.581 32.285 29.700 0.007 0.000 1.240 227 E HN -0.221 8.096 8.360 -0.071 0.000 0.410 228 I N 6.368 126.935 120.570 -0.005 0.000 2.428 228 I HA 0.266 4.425 4.170 -0.018 0.000 0.289 228 I C -2.099 174.014 176.117 -0.006 0.000 1.019 228 I CA -3.564 57.730 61.300 -0.010 0.000 1.351 228 I CB 1.074 39.070 38.000 -0.007 0.000 1.412 228 I HN 0.314 8.527 8.210 0.005 0.000 0.513 229 P HA -0.077 4.338 4.420 -0.008 0.000 0.216 229 P C -0.579 176.714 177.300 -0.012 0.000 1.150 229 P CA 0.963 64.055 63.100 -0.013 0.000 0.837 229 P CB 0.426 32.114 31.700 -0.020 0.000 0.786 230 G N -1.751 107.042 108.800 -0.013 0.000 2.562 230 G HA2 -0.031 3.920 3.960 -0.015 0.000 0.275 230 G HA3 -0.031 3.920 3.960 -0.016 0.000 0.275 230 G C -0.936 173.959 174.900 -0.009 0.000 1.196 230 G CA -2.078 43.014 45.100 -0.013 0.000 0.908 230 G HN -0.277 8.005 8.290 -0.013 0.000 0.524 231 D N -0.768 119.625 120.400 -0.012 0.000 2.097 231 D HA -0.290 4.349 4.640 -0.002 0.000 0.195 231 D C -0.092 176.192 176.300 -0.026 0.000 0.989 231 D CA 1.997 55.986 54.000 -0.018 0.000 0.827 231 D CB 0.277 41.054 40.800 -0.038 0.000 0.966 231 D HN 0.160 8.522 8.370 -0.014 0.000 0.456 232 S N -1.020 114.662 115.700 -0.030 0.000 2.562 232 S HA -0.215 4.234 4.470 -0.036 0.000 0.281 232 S C -1.164 173.430 174.600 -0.010 0.000 1.333 232 S CA 1.809 59.993 58.200 -0.027 0.000 1.052 232 S CB 0.437 63.622 63.200 -0.026 0.000 0.884 232 S HN -0.444 7.851 8.310 -0.030 -0.003 0.506 233 S N 1.614 117.314 115.700 0.000 0.000 2.868 233 S HA -0.173 4.304 4.470 0.011 0.000 0.847 233 S C -1.617 172.995 174.600 0.020 0.000 0.716 233 S CA 0.032 58.237 58.200 0.008 0.000 1.565 233 S CB 0.239 63.440 63.200 0.001 0.000 1.106 233 S HN 0.448 8.758 8.310 0.001 0.000 0.590 234 D N -2.650 117.769 120.400 0.032 0.000 3.070 234 D HA -0.400 4.270 4.640 0.050 0.000 0.220 234 D C -1.130 175.206 176.300 0.061 0.000 1.176 234 D CA 2.085 56.112 54.000 0.045 0.000 0.924 234 D CB -0.554 40.269 40.800 0.038 0.000 1.124 234 D HN 0.505 8.893 8.370 0.031 0.000 0.411 235 R N -3.018 117.518 120.500 0.061 0.000 2.599 235 R HA 0.243 4.640 4.340 0.095 0.000 0.295 235 R C -1.335 175.028 176.300 0.104 0.000 0.963 235 R CA -1.667 54.478 56.100 0.076 0.000 0.883 235 R CB 1.746 32.071 30.300 0.042 0.000 1.171 235 R HN -0.489 7.719 8.270 0.044 0.088 0.450 236 Y N 5.051 125.360 120.300 0.015 0.000 2.944 236 Y HA 0.047 4.537 4.550 -0.101 0.000 0.335 236 Y C -1.520 174.425 175.900 0.075 0.000 1.075 236 Y CA -0.845 57.248 58.100 -0.012 0.000 1.240 236 Y CB 0.260 38.744 38.460 0.040 0.000 1.167 236 Y HN 0.276 8.692 8.280 0.227 0.000 0.555 237 H N 0.263 119.160 119.070 -0.288 0.000 3.863 237 H HA -0.183 4.369 4.556 -0.268 -0.157 0.462 237 H C 0.231 175.499 175.328 -0.099 0.000 1.524 237 H CA 0.641 56.537 56.048 -0.253 0.000 1.915 237 H CB -0.177 29.424 29.762 -0.269 0.000 2.773 237 H HN -0.260 7.967 8.280 -0.319 -0.139 0.499 238 E N 2.827 123.060 120.200 0.055 0.000 2.110 238 E HA -0.360 4.006 4.350 0.027 0.000 0.193 238 E C 1.620 178.253 176.600 0.055 0.000 0.988 238 E CA 2.846 59.271 56.400 0.041 0.000 0.804 238 E CB 0.033 29.755 29.700 0.036 0.000 0.745 238 E HN 0.315 8.720 8.360 0.065 -0.006 0.458 239 Q N -0.970 118.863 119.800 0.055 0.000 2.124 239 Q HA -0.302 4.056 4.340 0.030 0.000 0.202 239 Q C 1.692 177.721 176.000 0.049 0.000 0.977 239 Q CA 2.984 58.807 55.803 0.034 0.000 0.850 239 Q CB -1.542 27.193 28.738 -0.004 0.000 0.901 239 Q HN 0.211 8.514 8.270 0.067 0.007 0.429 240 V N 0.491 120.450 119.914 0.076 0.000 2.407 240 V HA -0.425 3.735 4.120 0.067 0.000 0.248 240 V C 1.913 178.050 176.094 0.071 0.000 1.055 240 V CA 3.370 65.721 62.300 0.085 0.000 1.049 240 V CB -0.343 31.564 31.823 0.140 0.000 0.662 240 V HN -0.268 7.892 8.190 0.105 0.093 0.455 241 S N -0.454 115.285 115.700 0.064 0.000 2.406 241 S HA -0.306 4.196 4.470 0.053 0.000 0.228 241 S C 2.088 176.722 174.600 0.057 0.000 1.020 241 S CA 2.863 61.094 58.200 0.053 0.000 0.965 241 S CB -0.175 63.048 63.200 0.037 0.000 0.798 241 S HN -0.096 8.154 8.310 0.065 0.099 0.488 242 A N 2.551 125.409 122.820 0.064 0.000 1.930 242 A HA -0.256 4.120 4.320 0.093 0.000 0.217 242 A C 1.961 179.591 177.584 0.077 0.000 1.175 242 A CA 2.793 54.879 52.037 0.081 0.000 0.627 242 A CB -0.456 18.595 19.000 0.084 0.000 0.815 242 A HN 0.408 8.367 8.150 0.061 0.227 0.443 243 K N -2.107 118.329 120.400 0.061 0.000 2.097 243 K HA -0.282 4.075 4.320 0.062 0.000 0.206 243 K C 2.508 179.147 176.600 0.064 0.000 1.049 243 K CA 2.333 58.654 56.287 0.057 0.000 0.933 243 K CB -0.585 31.938 32.500 0.038 0.000 0.717 243 K HN -0.267 7.927 8.250 0.056 0.090 0.442 244 R N -1.877 118.660 120.500 0.061 0.000 2.127 244 R HA -0.297 4.080 4.340 0.062 0.000 0.238 244 R C 2.366 178.708 176.300 0.070 0.000 1.134 244 R CA 3.188 59.325 56.100 0.063 0.000 0.975 244 R CB -0.331 30.003 30.300 0.056 0.000 0.865 244 R HN -0.546 7.742 8.270 0.059 0.017 0.447 245 K N -1.105 119.341 120.400 0.077 0.000 2.057 245 K HA -0.274 4.090 4.320 0.074 0.000 0.206 245 K C 1.860 178.524 176.600 0.107 0.000 1.050 245 K CA 3.461 59.801 56.287 0.089 0.000 0.935 245 K CB -0.380 32.183 32.500 0.106 0.000 0.715 245 K HN -0.506 7.660 8.250 0.076 0.130 0.439 246 V N 0.310 120.293 119.914 0.115 0.000 2.358 246 V HA -0.351 3.866 4.120 0.163 0.000 0.246 246 V C 1.887 178.050 176.094 0.113 0.000 1.047 246 V CA 3.570 65.949 62.300 0.132 0.000 1.035 246 V CB -0.784 31.117 31.823 0.130 0.000 0.658 246 V HN -0.621 7.530 8.190 0.104 0.101 0.452 247 V N 0.921 120.892 119.914 0.095 0.000 2.343 247 V HA -0.390 3.787 4.120 0.094 0.000 0.247 247 V C 1.096 177.256 176.094 0.110 0.000 1.051 247 V CA 3.913 66.271 62.300 0.096 0.000 1.036 247 V CB -0.602 31.271 31.823 0.084 0.000 0.654 247 V HN -0.022 8.140 8.190 0.087 0.079 0.451 248 K N -0.706 119.754 120.400 0.100 0.000 2.057 248 K HA -0.366 4.026 4.320 0.121 0.000 0.207 248 K C 2.224 178.867 176.600 0.072 0.000 1.049 248 K CA 3.309 59.651 56.287 0.093 0.000 0.931 248 K CB -0.756 31.784 32.500 0.067 0.000 0.714 248 K HN -0.547 7.758 8.250 0.092 0.000 0.440 249 M N 0.826 120.468 119.600 0.069 0.000 2.117 249 M HA -0.384 4.108 4.480 0.020 0.000 0.262 249 M C 1.950 178.266 176.300 0.027 0.000 1.065 249 M CA 3.539 58.863 55.300 0.039 0.000 1.114 249 M CB 0.103 32.732 32.600 0.049 0.000 1.361 249 M HN -0.548 7.794 8.290 0.086 0.000 0.408 250 M N -0.986 118.651 119.600 0.061 0.000 2.159 250 M HA -0.461 4.044 4.480 0.042 0.000 0.263 250 M C 2.489 178.819 176.300 0.049 0.000 1.063 250 M CA 4.370 59.705 55.300 0.059 0.000 1.110 250 M CB -0.135 32.514 32.600 0.082 0.000 1.374 250 M HN -0.263 7.990 8.290 0.084 0.087 0.411 251 I N -0.304 120.308 120.570 0.071 0.000 2.179 251 I HA -0.500 3.690 4.170 0.034 0.000 0.242 251 I C 1.742 177.853 176.117 -0.010 0.000 1.088 251 I CA 4.227 65.555 61.300 0.045 0.000 1.357 251 I CB -0.460 37.598 38.000 0.097 0.000 1.051 251 I HN 0.140 8.302 8.210 0.092 0.103 0.409 252 V N 0.717 120.627 119.914 -0.007 0.000 2.407 252 V HA -0.495 3.595 4.120 -0.049 0.000 0.248 252 V C 1.443 177.504 176.094 -0.055 0.000 1.055 252 V CA 4.043 66.320 62.300 -0.038 0.000 1.049 252 V CB 0.023 31.824 31.823 -0.036 0.000 0.662 252 V HN -0.166 7.950 8.190 0.014 0.082 0.455 253 V N 0.271 120.171 119.914 -0.024 0.000 2.332 253 V HA -0.556 3.577 4.120 0.021 0.000 0.248 253 V C 2.156 178.282 176.094 0.053 0.000 1.055 253 V CA 4.602 66.915 62.300 0.023 0.000 1.038 253 V CB -0.416 31.435 31.823 0.046 0.000 0.651 253 V HN 0.218 8.314 8.190 -0.014 0.085 0.450 254 V N -0.017 119.913 119.914 0.027 0.000 2.358 254 V HA -0.481 3.686 4.120 0.078 0.000 0.246 254 V C 1.875 178.014 176.094 0.075 0.000 1.047 254 V CA 3.813 66.141 62.300 0.048 0.000 1.035 254 V CB -1.337 30.475 31.823 -0.018 0.000 0.658 254 V HN -0.275 7.829 8.190 0.007 0.090 0.452 255 C N -0.386 118.904 119.300 -0.017 0.000 2.432 255 C HA -0.330 4.116 4.460 -0.023 0.000 0.277 255 C C 2.359 177.314 174.990 -0.059 0.000 1.249 255 C CA 4.765 63.759 59.018 -0.040 0.000 1.725 255 C CB -2.144 25.552 27.740 -0.074 0.000 2.028 255 C HN 0.254 8.371 8.230 -0.041 0.088 0.477 256 T N 1.432 115.882 114.554 -0.173 0.000 2.788 256 T HA -0.309 3.873 4.350 -0.280 0.000 0.268 256 T C 1.210 175.743 174.700 -0.277 0.000 1.044 256 T CA 4.242 66.113 62.100 -0.382 0.000 1.139 256 T CB -0.447 67.896 68.868 -0.876 0.000 0.867 256 T HN 0.224 8.362 8.240 -0.170 0.000 0.454 257 F N 2.687 122.536 119.950 -0.168 0.000 2.102 257 F HA -0.336 4.414 4.527 0.371 0.000 0.298 257 F C 0.598 176.546 175.800 0.248 0.000 1.105 257 F CA 3.711 61.826 58.000 0.193 0.000 1.239 257 F CB -0.364 38.794 39.000 0.262 0.000 0.991 257 F HN -0.470 7.792 8.300 0.097 0.096 0.474 258 A N 0.095 123.070 122.820 0.258 0.000 1.902 258 A HA -0.302 4.189 4.320 0.285 0.000 0.217 258 A C 1.989 179.612 177.584 0.065 0.000 1.181 258 A CA 2.766 54.919 52.037 0.193 0.000 0.623 258 A CB -0.667 18.427 19.000 0.158 0.000 0.818 258 A HN 0.298 8.544 8.150 0.289 0.078 0.443 259 I N -2.133 118.437 120.570 -0.001 0.000 2.226 259 I HA -0.383 3.789 4.170 0.004 0.000 0.245 259 I C 0.840 176.912 176.117 -0.074 0.000 1.100 259 I CA 2.604 63.886 61.300 -0.030 0.000 1.374 259 I CB -0.240 37.727 38.000 -0.056 0.000 1.057 259 I HN -0.241 7.963 8.210 -0.010 0.000 0.413 260 C N -1.268 117.939 119.300 -0.155 0.000 2.453 260 C HA -0.207 4.123 4.460 -0.217 0.000 0.277 260 C C 1.913 176.659 174.990 -0.405 0.000 1.262 260 C CA 3.256 62.100 59.018 -0.290 0.000 1.718 260 C CB -0.733 26.787 27.740 -0.367 0.000 2.031 260 C HN -0.353 7.789 8.230 -0.146 0.000 0.480 261 W N -2.638 118.524 121.300 -0.230 0.000 2.523 261 W HA -0.189 4.370 4.660 -0.169 0.000 0.278 261 W C 1.998 178.495 176.519 -0.037 0.000 1.236 261 W CA 1.931 59.156 57.345 -0.201 0.000 1.306 261 W CB -0.070 29.161 29.460 -0.380 0.000 1.101 261 W HN -0.033 8.006 8.180 -0.235 0.000 0.577 262 L N 1.129 122.458 121.223 0.177 0.000 2.042 262 L HA -0.213 4.178 4.340 0.086 0.000 0.210 262 L C -1.313 175.645 176.870 0.146 0.000 1.076 262 L CA 4.846 59.776 54.840 0.150 0.000 0.749 262 L CB -2.469 39.673 42.059 0.139 0.000 0.893 262 L HN 0.583 8.775 8.230 0.113 0.106 0.432 263 P HA -0.238 4.318 4.420 0.227 0.000 0.217 263 P C 1.607 179.050 177.300 0.239 0.000 1.150 263 P CA 3.201 66.424 63.100 0.205 0.000 0.832 263 P CB -0.659 31.131 31.700 0.149 0.000 0.787 264 F N -0.569 119.377 119.950 -0.006 0.000 2.146 264 F HA -0.424 3.986 4.527 -0.195 0.000 0.298 264 F C 1.128 176.878 175.800 -0.084 0.000 1.096 264 F CA 3.492 61.423 58.000 -0.114 0.000 1.275 264 F CB 0.131 39.049 39.000 -0.136 0.000 1.008 264 F HN -0.438 7.886 8.300 0.211 0.103 0.480 265 H N -1.474 117.594 119.070 -0.002 0.000 2.387 265 H HA -0.302 4.214 4.556 -0.067 0.000 0.299 265 H C 2.355 177.675 175.328 -0.014 0.000 1.090 265 H CA 4.341 60.308 56.048 -0.134 0.000 1.332 265 H CB 0.337 29.765 29.762 -0.557 0.000 1.386 265 H HN -0.343 8.001 8.280 0.107 0.000 0.516 266 I N 0.464 121.094 120.570 0.100 0.000 2.252 266 I HA -0.412 3.852 4.170 0.157 0.000 0.245 266 I C 1.081 177.089 176.117 -0.182 0.000 1.102 266 I CA 2.393 63.700 61.300 0.011 0.000 1.385 266 I CB -0.356 37.589 38.000 -0.092 0.000 1.064 266 I HN 0.101 8.377 8.210 0.109 0.000 0.414 267 F N -1.761 118.040 119.950 -0.248 0.000 2.293 267 F HA -0.412 4.011 4.527 -0.173 0.000 0.300 267 F C 1.599 177.141 175.800 -0.429 0.000 1.086 267 F CA 4.001 61.762 58.000 -0.398 0.000 1.375 267 F CB -0.242 38.296 39.000 -0.769 0.000 1.045 267 F HN -0.369 7.935 8.300 0.007 0.000 0.516 268 F N -0.115 119.484 119.950 -0.584 0.000 2.046 268 F HA -0.336 3.525 4.527 -1.110 0.000 0.297 268 F C 1.603 177.493 175.800 0.150 0.000 1.123 268 F CA 3.241 60.931 58.000 -0.516 0.000 1.199 268 F CB 0.508 39.311 39.000 -0.328 0.000 0.972 268 F HN -0.272 7.607 8.300 -0.316 0.231 0.474 269 L N -2.657 118.900 121.223 0.555 0.000 2.056 269 L HA -0.333 4.766 4.340 1.264 0.000 0.207 269 L C 2.385 179.477 176.870 0.370 0.000 1.078 269 L CA 2.535 57.757 54.840 0.637 0.000 0.749 269 L CB -0.019 42.267 42.059 0.378 0.000 0.901 269 L HN -0.501 7.966 8.230 0.395 0.000 0.433 270 L N -2.141 119.171 121.223 0.148 0.000 2.017 270 L HA -0.245 4.132 4.340 0.061 0.000 0.208 270 L C -0.870 176.059 176.870 0.098 0.000 1.073 270 L CA 5.290 60.166 54.840 0.061 0.000 0.745 270 L CB -3.087 38.922 42.059 -0.083 0.000 0.894 270 L HN 0.052 8.320 8.230 0.063 0.000 0.432 271 P HA -0.172 4.421 4.420 0.041 -0.149 0.222 271 P C 0.318 177.653 177.300 0.059 0.000 1.147 271 P CA 2.257 65.436 63.100 0.132 0.000 0.790 271 P CB -0.430 31.448 31.700 0.297 0.000 0.780 272 Y N -2.376 117.913 120.300 -0.019 0.000 2.181 272 Y HA -0.292 4.284 4.550 -0.215 -0.155 0.288 272 Y C 1.818 177.632 175.900 -0.144 0.000 1.146 272 Y CA 2.604 60.557 58.100 -0.245 0.000 1.164 272 Y CB 0.197 38.137 38.460 -0.867 0.000 0.982 272 Y HN -0.551 7.770 8.280 0.301 0.140 0.515 273 I N -3.697 116.729 120.570 -0.240 0.000 2.252 273 I HA -0.221 3.596 4.170 -0.587 0.000 0.245 273 I C 0.389 176.335 176.117 -0.285 0.000 1.102 273 I CA 1.857 62.971 61.300 -0.311 0.000 1.385 273 I CB 0.588 38.550 38.000 -0.064 0.000 1.064 273 I HN -0.412 7.766 8.210 0.076 0.078 0.414 274 N N -0.916 117.670 118.700 -0.189 0.000 2.804 274 N HA 0.433 5.052 4.740 -0.202 0.000 0.251 274 N C -2.563 172.827 175.510 -0.200 0.000 1.250 274 N CA -3.028 49.911 53.050 -0.185 0.000 0.820 274 N CB 1.499 39.892 38.487 -0.156 0.000 1.156 274 N HN -0.189 8.117 8.380 -0.122 0.000 0.512 275 P HA 0.284 4.550 4.420 -0.311 -0.033 0.281 275 P C -1.119 176.038 177.300 -0.239 0.000 1.264 275 P CA -0.013 62.943 63.100 -0.240 0.000 0.824 275 P CB 0.507 32.108 31.700 -0.166 0.000 1.092 276 D N -4.159 116.061 120.400 -0.299 0.000 3.076 276 D HA -0.373 4.152 4.640 -0.192 0.000 0.218 276 D C -2.049 174.159 176.300 -0.153 0.000 1.156 276 D CA 1.778 55.660 54.000 -0.195 0.000 0.921 276 D CB -0.558 40.178 40.800 -0.107 0.000 1.113 276 D HN 0.271 8.387 8.370 -0.423 0.000 0.418 277 L N -5.626 115.467 121.223 -0.218 0.000 2.170 277 L HA 0.305 4.711 4.340 0.021 -0.054 0.247 277 L C -1.718 175.155 176.870 0.005 0.000 1.078 277 L CA -2.105 52.675 54.840 -0.099 0.000 0.936 277 L CB 3.566 45.509 42.059 -0.193 0.000 1.528 277 L HN -0.982 6.979 8.230 -0.356 0.056 0.455 278 Y N -4.345 116.009 120.300 0.090 0.000 2.429 278 Y HA 0.244 5.105 4.550 0.475 -0.027 0.342 278 Y C -1.751 174.270 175.900 0.202 0.000 1.004 278 Y CA -1.740 56.505 58.100 0.240 0.000 1.075 278 Y CB 1.174 39.752 38.460 0.196 0.000 1.214 278 Y HN -0.204 7.813 8.280 -0.438 0.000 0.455 279 L N 3.156 124.594 121.223 0.359 0.000 2.399 279 L HA -0.056 4.318 4.340 0.056 0.000 0.206 279 L C 1.380 178.405 176.870 0.258 0.000 1.261 279 L CA -0.227 54.744 54.840 0.217 0.000 2.863 279 L CB 0.293 42.542 42.059 0.316 0.000 2.728 279 L HN 0.086 8.663 8.230 0.566 -0.007 1.097 280 K N -1.406 119.154 120.400 0.266 0.000 2.057 280 K HA -0.201 4.258 4.320 0.232 0.000 0.207 280 K C -0.695 176.120 176.600 0.357 0.000 1.049 280 K CA 2.240 58.681 56.287 0.258 0.000 0.931 280 K CB 0.305 32.920 32.500 0.191 0.000 0.714 280 K HN -0.122 8.289 8.250 0.268 0.000 0.440 281 K N -4.092 116.503 120.400 0.325 0.000 2.588 281 K HA 0.079 4.626 4.320 0.377 0.000 0.250 281 K C -2.108 174.675 176.600 0.306 0.000 0.972 281 K CA -0.749 55.712 56.287 0.290 0.000 0.821 281 K CB 1.898 34.460 32.500 0.104 0.000 1.249 281 K HN -0.741 7.700 8.250 0.285 -0.020 0.442 282 F N 5.318 125.442 119.950 0.291 0.000 2.390 282 F HA 0.121 4.781 4.527 0.222 0.000 0.361 282 F C -1.426 174.463 175.800 0.148 0.000 1.124 282 F CA -0.627 57.506 58.000 0.221 0.000 1.149 282 F CB 0.581 39.708 39.000 0.212 0.000 1.160 282 F HN 0.037 8.728 8.300 0.652 0.000 0.501 283 I N 4.978 125.239 120.570 -0.516 0.000 3.279 283 I HA 0.280 4.371 4.170 -0.132 0.000 0.315 283 I C -0.891 174.972 176.117 -0.422 0.000 1.225 283 I CA -2.489 58.628 61.300 -0.306 0.000 0.947 283 I CB 4.301 42.221 38.000 -0.133 0.000 1.293 283 I HN -0.254 7.550 8.210 -0.676 0.000 0.468 284 Q N 2.906 122.565 119.800 -0.235 0.000 2.096 284 Q HA -0.355 3.873 4.340 -0.186 0.000 0.204 284 Q C 1.188 177.041 176.000 -0.245 0.000 0.982 284 Q CA 3.585 59.261 55.803 -0.213 0.000 0.850 284 Q CB -0.208 28.414 28.738 -0.193 0.000 0.901 284 Q HN 0.540 8.720 8.270 -0.149 0.000 0.422 285 Q N -1.212 118.443 119.800 -0.243 0.000 2.050 285 Q HA -0.276 3.857 4.340 -0.345 0.000 0.202 285 Q C 2.129 177.985 176.000 -0.241 0.000 0.980 285 Q CA 3.228 58.877 55.803 -0.256 0.000 0.840 285 Q CB -1.238 27.390 28.738 -0.184 0.000 0.898 285 Q HN 0.128 8.260 8.270 -0.207 0.014 0.424 286 V N -0.195 119.564 119.914 -0.258 0.000 2.307 286 V HA -0.350 3.575 4.120 -0.325 0.000 0.245 286 V C 2.205 178.050 176.094 -0.415 0.000 1.045 286 V CA 4.059 66.144 62.300 -0.358 0.000 1.024 286 V CB -0.998 30.573 31.823 -0.419 0.000 0.651 286 V HN -0.416 7.620 8.190 -0.255 0.000 0.449 287 Y N -0.648 119.419 120.300 -0.389 0.000 2.224 287 Y HA -0.372 3.979 4.550 -0.331 0.000 0.289 287 Y C 1.981 177.843 175.900 -0.064 0.000 1.146 287 Y CA 4.376 62.330 58.100 -0.243 0.000 1.182 287 Y CB 0.098 38.471 38.460 -0.144 0.000 0.983 287 Y HN -0.929 7.249 8.280 -0.170 0.000 0.524 288 L N -1.092 120.144 121.223 0.021 0.000 2.027 288 L HA -0.463 3.982 4.340 0.175 0.000 0.206 288 L C 1.396 178.297 176.870 0.052 0.000 1.074 288 L CA 2.834 57.676 54.840 0.004 0.000 0.745 288 L CB -0.332 41.538 42.059 -0.314 0.000 0.898 288 L HN -0.491 7.673 8.230 -0.074 0.022 0.433 289 A N -0.272 122.520 122.820 -0.047 0.000 1.877 289 A HA -0.362 4.105 4.320 0.245 0.000 0.216 289 A C 2.094 179.722 177.584 0.073 0.000 1.186 289 A CA 3.318 55.396 52.037 0.068 0.000 0.620 289 A CB -0.792 18.201 19.000 -0.012 0.000 0.822 289 A HN 0.098 8.071 8.150 -0.145 0.090 0.443 290 I N -1.842 118.697 120.570 -0.052 0.000 2.252 290 I HA -0.462 3.675 4.170 -0.055 0.000 0.245 290 I C 1.940 178.062 176.117 0.008 0.000 1.102 290 I CA 3.648 64.927 61.300 -0.035 0.000 1.385 290 I CB -0.127 37.822 38.000 -0.085 0.000 1.064 290 I HN -0.583 7.526 8.210 -0.168 0.000 0.414 291 M N 0.538 120.189 119.600 0.085 0.000 2.175 291 M HA -0.425 3.734 4.480 -0.535 0.000 0.264 291 M C 2.109 178.299 176.300 -0.183 0.000 1.063 291 M CA 4.371 59.557 55.300 -0.191 0.000 1.119 291 M CB 0.073 32.590 32.600 -0.138 0.000 1.377 291 M HN -0.546 7.847 8.290 0.171 0.000 0.415 292 W N -2.953 118.289 121.300 -0.097 0.000 2.402 292 W HA -0.265 4.333 4.660 -0.103 0.000 0.286 292 W C 2.366 178.832 176.519 -0.089 0.000 1.221 292 W CA 3.607 60.920 57.345 -0.053 0.000 1.257 292 W CB -0.444 29.102 29.460 0.143 0.000 1.120 292 W HN -0.053 8.366 8.180 0.399 0.000 0.551 293 L N 0.428 121.691 121.223 0.067 0.000 2.083 293 L HA -0.217 4.136 4.340 0.022 0.000 0.209 293 L C 2.383 179.088 176.870 -0.275 0.000 1.083 293 L CA 2.289 57.095 54.840 -0.058 0.000 0.752 293 L CB -0.407 41.605 42.059 -0.078 0.000 0.899 293 L HN -0.293 7.880 8.230 0.100 0.117 0.433 294 A N -0.048 122.435 122.820 -0.563 0.000 1.972 294 A HA -0.222 3.241 4.320 -1.428 0.000 0.219 294 A C 2.046 179.198 177.584 -0.719 0.000 1.169 294 A CA 2.915 54.210 52.037 -1.236 0.000 0.635 294 A CB -0.628 17.037 19.000 -2.225 0.000 0.810 294 A HN -0.070 7.694 8.150 -0.460 0.110 0.446 295 M N -3.461 115.940 119.600 -0.332 0.000 2.213 295 M HA -0.223 4.244 4.480 -0.020 0.000 0.263 295 M C 2.199 178.500 176.300 0.001 0.000 1.062 295 M CA 1.397 56.656 55.300 -0.069 0.000 1.105 295 M CB -1.455 31.182 32.600 0.061 0.000 1.385 295 M HN -0.670 7.292 8.290 -0.316 0.139 0.417 296 S N -0.053 115.641 115.700 -0.009 0.000 2.442 296 S HA -0.278 4.240 4.470 0.079 0.000 0.236 296 S C 1.792 176.422 174.600 0.050 0.000 1.007 296 S CA 2.412 60.639 58.200 0.045 0.000 0.965 296 S CB -0.437 62.792 63.200 0.048 0.000 0.773 296 S HN -0.234 7.881 8.310 -0.065 0.156 0.504 297 S N 2.435 118.152 115.700 0.027 0.000 2.383 297 S HA -0.313 4.614 4.470 0.761 0.000 0.229 297 S C 1.807 176.176 174.600 -0.385 0.000 1.030 297 S CA 2.876 61.152 58.200 0.126 0.000 1.002 297 S CB -0.211 63.146 63.200 0.263 0.000 0.829 297 S HN -0.372 7.712 8.310 -0.091 0.171 0.467 298 T N 2.835 117.304 114.554 -0.143 0.000 2.803 298 T HA -0.278 3.990 4.350 -0.137 0.000 0.269 298 T C 0.874 175.463 174.700 -0.184 0.000 1.052 298 T CA 3.295 65.314 62.100 -0.135 0.000 1.136 298 T CB -0.207 68.644 68.868 -0.029 0.000 0.864 298 T HN -0.366 7.715 8.240 -0.037 0.137 0.467 299 M N 0.198 119.720 119.600 -0.130 0.000 2.288 299 M HA -0.192 4.257 4.480 -0.052 0.000 0.266 299 M C 1.103 177.371 176.300 -0.054 0.000 1.072 299 M CA 3.352 58.612 55.300 -0.066 0.000 1.132 299 M CB 0.409 33.009 32.600 -0.001 0.000 1.386 299 M HN -0.594 7.531 8.290 -0.081 0.116 0.432 300 Y N -2.232 118.094 120.300 0.044 0.000 2.274 300 Y HA -0.422 4.137 4.550 0.014 0.000 0.290 300 Y C 1.421 177.333 175.900 0.021 0.000 1.145 300 Y CA 1.371 59.487 58.100 0.027 0.000 1.203 300 Y CB -1.435 37.038 38.460 0.022 0.000 0.984 300 Y HN -0.086 7.920 8.280 -0.253 0.122 0.533 301 N N -0.619 118.023 118.700 -0.097 0.000 2.166 301 N HA -0.155 4.735 4.740 0.251 0.000 0.186 301 N C -0.412 175.157 175.510 0.098 0.000 1.019 301 N CA 3.102 56.191 53.050 0.065 0.000 0.856 301 N CB -2.896 35.587 38.487 -0.007 0.000 0.993 301 N HN -0.310 7.694 8.380 -0.627 0.000 0.426 302 P HA -0.091 4.706 4.420 0.628 0.000 0.218 302 P C 1.374 178.757 177.300 0.140 0.000 1.149 302 P CA 2.644 65.893 63.100 0.248 0.000 0.817 302 P CB -0.492 31.254 31.700 0.077 0.000 0.785 303 I N -5.722 114.897 120.570 0.082 0.000 2.252 303 I HA -0.334 3.849 4.170 0.023 0.000 0.245 303 I C 1.218 177.369 176.117 0.056 0.000 1.102 303 I CA 3.580 64.912 61.300 0.053 0.000 1.385 303 I CB -0.531 37.499 38.000 0.051 0.000 1.064 303 I HN -0.874 7.288 8.210 0.089 0.101 0.414 304 I N -0.716 119.876 120.570 0.038 0.000 2.226 304 I HA -0.559 3.616 4.170 0.009 0.000 0.245 304 I C 1.464 177.567 176.117 -0.023 0.000 1.100 304 I CA 3.925 65.215 61.300 -0.017 0.000 1.374 304 I CB -0.873 37.087 38.000 -0.067 0.000 1.057 304 I HN -0.457 7.720 8.210 0.069 0.075 0.413 305 Y N 0.106 120.405 120.300 -0.003 0.000 2.128 305 Y HA -0.275 4.237 4.550 -0.063 0.000 0.284 305 Y C 2.615 178.555 175.900 0.067 0.000 1.154 305 Y CA 3.794 61.861 58.100 -0.056 0.000 1.149 305 Y CB -1.217 37.107 38.460 -0.226 0.000 0.976 305 Y HN -0.303 7.937 8.280 -0.061 0.004 0.505 306 C N -1.735 117.709 119.300 0.240 0.000 2.432 306 C HA -0.307 4.360 4.460 0.344 0.000 0.277 306 C C 1.426 176.516 174.990 0.167 0.000 1.249 306 C CA 3.488 62.630 59.018 0.208 0.000 1.725 306 C CB -2.044 25.736 27.740 0.068 0.000 2.028 306 C HN -0.604 7.736 8.230 0.183 0.000 0.477 307 C N 0.076 119.440 119.300 0.106 0.000 2.453 307 C HA -0.172 4.331 4.460 0.072 0.000 0.277 307 C C 1.924 176.970 174.990 0.093 0.000 1.262 307 C CA 2.921 61.986 59.018 0.079 0.000 1.718 307 C CB -0.548 27.219 27.740 0.045 0.000 2.031 307 C HN -0.272 8.011 8.230 0.088 0.000 0.480 308 L N -2.131 119.153 121.223 0.102 0.000 2.093 308 L HA -0.155 4.231 4.340 0.076 0.000 0.208 308 L C 0.192 177.158 176.870 0.161 0.000 1.085 308 L CA 1.802 56.704 54.840 0.104 0.000 0.755 308 L CB -0.252 41.848 42.059 0.069 0.000 0.904 308 L HN 0.377 8.547 8.230 0.095 0.117 0.435 309 N N -3.978 114.869 118.700 0.246 0.000 2.310 309 N HA 0.058 4.931 4.740 0.220 0.000 0.292 309 N C -0.317 175.386 175.510 0.322 0.000 1.049 309 N CA -0.985 52.243 53.050 0.298 0.000 0.849 309 N CB 2.235 40.963 38.487 0.401 0.000 1.532 309 N HN -0.203 8.241 8.380 0.274 0.100 0.479 310 D N 4.097 124.643 120.400 0.244 0.000 2.144 310 D HA -0.387 4.360 4.640 0.180 0.000 0.200 310 D C 1.188 177.696 176.300 0.346 0.000 0.978 310 D CA 3.532 57.651 54.000 0.198 0.000 0.833 310 D CB -0.225 40.560 40.800 -0.025 0.000 0.961 310 D HN 0.583 9.072 8.370 0.198 0.000 0.470 311 R N 0.213 121.021 120.500 0.513 0.000 2.080 311 R HA -0.307 4.448 4.340 0.692 0.000 0.236 311 R C 1.929 178.272 176.300 0.071 0.000 1.137 311 R CA 3.363 59.647 56.100 0.306 0.000 0.943 311 R CB -0.212 29.972 30.300 -0.193 0.000 0.846 311 R HN -0.297 8.278 8.270 0.534 0.015 0.431 312 F N -1.314 118.672 119.950 0.059 0.000 2.134 312 F HA -0.156 4.141 4.527 -0.383 0.000 0.299 312 F C 2.496 178.364 175.800 0.113 0.000 1.097 312 F CA 3.860 61.788 58.000 -0.119 0.000 1.264 312 F CB -0.151 38.883 39.000 0.058 0.000 1.001 312 F HN -0.006 8.819 8.300 0.428 -0.268 0.479 313 R N 0.282 121.090 120.500 0.513 0.000 2.080 313 R HA -0.444 4.285 4.340 0.648 0.000 0.236 313 R C 2.198 178.694 176.300 0.328 0.000 1.137 313 R CA 3.771 60.150 56.100 0.464 0.000 0.943 313 R CB -0.105 30.366 30.300 0.286 0.000 0.846 313 R HN -0.239 8.230 8.270 0.474 0.085 0.431 314 L N -2.607 118.757 121.223 0.236 0.000 2.056 314 L HA -0.117 4.252 4.340 0.048 0.000 0.207 314 L C 2.494 179.423 176.870 0.099 0.000 1.078 314 L CA 2.909 57.823 54.840 0.122 0.000 0.749 314 L CB -1.089 41.065 42.059 0.158 0.000 0.901 314 L HN 0.652 8.927 8.230 0.264 0.113 0.433 315 G N -1.283 107.717 108.800 0.332 0.000 2.422 315 G HA2 -0.316 4.437 3.960 1.323 0.000 0.218 315 G HA3 -0.316 3.836 3.960 0.321 0.000 0.218 315 G C 1.703 176.612 174.900 0.014 0.000 1.146 315 G CA 2.174 47.510 45.100 0.394 0.000 0.769 315 G HN 0.199 8.656 8.290 0.278 0.000 0.547 316 F N 2.139 122.166 119.950 0.127 0.000 2.102 316 F HA -0.322 4.309 4.527 0.174 0.000 0.298 316 F C 2.094 178.035 175.800 0.235 0.000 1.105 316 F CA 3.085 61.193 58.000 0.180 0.000 1.239 316 F CB -0.393 38.725 39.000 0.196 0.000 0.991 316 F HN 0.526 8.767 8.300 0.110 0.125 0.474 317 K N -0.559 120.066 120.400 0.375 0.000 2.097 317 K HA -0.455 4.050 4.320 0.308 0.000 0.206 317 K C 2.141 178.922 176.600 0.301 0.000 1.049 317 K CA 3.576 60.026 56.287 0.272 0.000 0.933 317 K CB -0.210 32.361 32.500 0.119 0.000 0.717 317 K HN -0.360 8.092 8.250 0.336 0.000 0.442 318 H N -1.436 117.818 119.070 0.307 0.000 2.352 318 H HA -0.171 4.712 4.556 0.264 -0.169 0.299 318 H C 1.625 177.128 175.328 0.291 0.000 1.097 318 H CA 3.149 59.368 56.048 0.285 0.000 1.311 318 H CB -0.130 29.806 29.762 0.291 0.000 1.377 318 H HN -0.377 7.900 8.280 0.175 0.108 0.504 319 A N -1.918 121.210 122.820 0.513 0.000 1.898 319 A HA -0.253 4.282 4.320 0.360 0.000 0.216 319 A C 0.975 178.741 177.584 0.303 0.000 1.181 319 A CA 2.342 54.641 52.037 0.436 0.000 0.620 319 A CB -0.146 19.191 19.000 0.562 0.000 0.819 319 A HN -0.735 7.641 8.150 0.553 0.105 0.442 320 F N -0.507 119.573 119.950 0.218 0.000 2.051 320 F HA -0.341 4.237 4.527 0.085 0.000 0.296 320 F C 0.269 176.118 175.800 0.082 0.000 1.122 320 F CA 2.904 60.976 58.000 0.119 0.000 1.201 320 F CB 0.630 39.686 39.000 0.094 0.000 0.978 320 F HN -0.370 8.046 8.300 0.512 0.191 0.472 321 R N -1.673 119.002 120.500 0.293 0.000 2.442 321 R HA -0.017 4.304 4.340 -0.032 0.000 0.291 321 R C 0.077 176.418 176.300 0.067 0.000 1.069 321 R CA 0.124 56.292 56.100 0.113 0.000 1.022 321 R CB 0.498 30.895 30.300 0.162 0.000 0.976 321 R HN -0.355 8.170 8.270 0.426 0.000 0.443 322 C N 0.574 119.850 119.300 -0.040 0.000 2.413 322 C HA -0.133 4.330 4.460 0.005 0.000 0.276 322 C C 0.477 175.533 174.990 0.109 0.000 1.248 322 C CA -0.842 58.179 59.018 0.007 0.000 1.742 322 C CB -1.458 26.261 27.740 -0.035 0.000 2.017 322 C HN 0.251 8.405 8.230 -0.127 0.000 0.481 323 C N 1.450 120.862 119.300 0.188 0.000 2.641 323 C HA 0.124 4.705 4.460 0.202 0.000 0.318 323 C C -0.722 174.501 174.990 0.387 0.000 1.490 323 C CA -1.134 58.077 59.018 0.320 0.000 2.260 323 C CB -1.645 26.446 27.740 0.585 0.000 2.103 323 C HN -0.400 7.901 8.230 0.118 0.000 0.641 324 P HA -0.204 4.529 4.420 0.332 -0.114 0.205 324 P C -0.328 177.218 177.300 0.409 0.000 1.193 324 P CA 1.240 64.519 63.100 0.297 0.000 0.929 324 P CB 0.456 32.240 31.700 0.140 0.000 0.772 325 F N -6.559 113.469 119.950 0.130 0.000 3.048 325 F HA -0.321 4.258 4.527 0.086 0.000 0.269 325 F C -0.349 175.510 175.800 0.098 0.000 0.960 325 F CA 0.437 58.499 58.000 0.104 0.000 0.909 325 F CB -2.026 37.034 39.000 0.100 0.000 0.837 325 F HN 0.007 8.183 8.300 -0.206 0.000 0.768 326 I N -0.768 119.909 120.570 0.178 0.000 2.318 326 I HA 0.072 4.291 4.170 0.082 0.000 0.285 326 I C -1.732 174.420 176.117 0.059 0.000 1.127 326 I CA -1.568 59.777 61.300 0.074 0.000 1.243 326 I CB -1.166 36.742 38.000 -0.153 0.000 1.498 326 I HN -0.391 7.916 8.210 0.152 -0.006 0.535 327 S N 7.356 123.103 115.700 0.078 0.000 2.401 327 S HA -0.100 4.398 4.470 0.047 0.000 0.249 327 S C 0.631 175.256 174.600 0.041 0.000 1.237 327 S CA 0.556 58.791 58.200 0.058 0.000 1.000 327 S CB 0.589 63.830 63.200 0.069 0.000 1.013 327 S HN -0.556 7.788 8.310 0.121 0.039 0.494 328 A N -1.684 121.156 122.820 0.034 0.000 3.172 328 A HA -0.157 4.175 4.320 0.021 0.000 0.263 328 A C -0.444 177.149 177.584 0.015 0.000 1.215 328 A CA 1.219 53.270 52.037 0.024 0.000 1.065 328 A CB -1.556 17.459 19.000 0.025 0.000 1.148 328 A HN 0.453 8.624 8.150 0.036 0.000 0.904 329 G N -4.928 103.883 108.800 0.019 0.000 2.176 329 G HA2 -0.253 3.713 3.960 0.011 0.000 0.232 329 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.232 329 G C -0.302 174.610 174.900 0.019 0.000 0.986 329 G CA -0.390 44.716 45.100 0.010 0.000 0.643 329 G HN 0.045 8.290 8.290 0.026 0.061 0.522 330 D N -1.623 118.802 120.400 0.042 0.000 4.443 330 D HA -0.517 4.174 4.640 0.085 0.000 0.302 330 D C -0.662 175.691 176.300 0.088 0.000 2.380 330 D CA 2.102 56.158 54.000 0.094 0.000 1.094 330 D CB -0.982 39.906 40.800 0.147 0.000 1.105 330 D HN -0.800 7.540 8.370 0.033 0.049 1.285 331 Y N 2.787 123.129 120.300 0.071 0.000 2.274 331 Y HA -0.423 4.144 4.550 0.028 0.000 0.290 331 Y C -0.405 175.505 175.900 0.016 0.000 1.145 331 Y CA 2.452 60.571 58.100 0.031 0.000 1.203 331 Y CB 0.902 39.355 38.460 -0.013 0.000 0.984 331 Y HN -0.198 8.434 8.280 0.329 -0.155 0.533 332 E N -4.831 115.383 120.200 0.023 0.000 2.320 332 E HA -0.392 3.982 4.350 0.040 0.000 0.234 332 E C -1.161 175.437 176.600 -0.003 0.000 1.183 332 E CA 0.457 56.840 56.400 -0.029 0.000 0.713 332 E CB -2.265 27.374 29.700 -0.102 0.000 1.226 332 E HN -0.385 8.226 8.360 0.144 -0.165 0.382 333 G N -2.467 106.523 108.800 0.317 0.000 2.539 333 G HA2 -0.058 4.032 3.960 0.216 0.000 0.138 333 G HA3 -0.058 4.269 3.960 0.611 0.000 0.138 333 G C -2.401 172.724 174.900 0.375 0.000 1.148 333 G CA -0.322 45.047 45.100 0.450 0.000 1.057 333 G HN -0.749 7.915 8.290 0.378 -0.147 0.511 334 L N 2.416 123.661 121.223 0.038 0.000 2.334 334 L HA 0.337 4.793 4.340 -0.107 -0.181 0.286 334 L C 0.996 177.465 176.870 -0.667 0.000 1.108 334 L CA -0.772 53.901 54.840 -0.278 0.000 0.875 334 L CB -0.430 41.426 42.059 -0.339 0.000 1.246 334 L HN 0.186 8.456 8.230 0.066 0.000 0.439 335 E N 4.139 124.206 120.200 -0.223 0.000 2.106 335 E HA -0.313 3.720 4.350 -0.529 0.000 0.192 335 E C -0.046 176.154 176.600 -0.667 0.000 0.984 335 E CA 2.060 58.288 56.400 -0.285 0.000 0.806 335 E CB 0.396 30.264 29.700 0.280 0.000 0.750 335 E HN 0.062 8.426 8.360 0.034 0.017 0.458 336 M N -0.645 118.809 119.600 -0.244 0.000 2.658 336 M HA 0.236 4.558 4.480 -0.263 0.000 0.295 336 M C -0.932 175.278 176.300 -0.149 0.000 1.248 336 M CA -1.407 53.800 55.300 -0.155 0.000 0.843 336 M CB 3.523 36.142 32.600 0.033 0.000 1.749 336 M HN -0.056 8.201 8.290 -0.092 -0.022 0.464 337 K N 2.538 122.862 120.400 -0.127 0.000 2.026 337 K HA -0.342 3.910 4.320 -0.113 0.000 0.208 337 K C 0.994 177.555 176.600 -0.065 0.000 1.048 337 K CA 3.319 59.547 56.287 -0.099 0.000 0.929 337 K CB -0.307 32.144 32.500 -0.081 0.000 0.713 337 K HN 0.462 8.642 8.250 -0.117 0.000 0.439 338 S N -3.131 112.532 115.700 -0.062 0.000 2.344 338 S HA -0.198 4.238 4.470 -0.055 0.000 0.217 338 S C 0.217 174.797 174.600 -0.033 0.000 1.033 338 S CA 2.312 60.477 58.200 -0.057 0.000 1.017 338 S CB 0.075 63.224 63.200 -0.085 0.000 0.941 338 S HN 0.172 8.442 8.310 -0.068 0.000 0.430 339 T N -1.923 112.620 114.554 -0.019 0.000 2.631 339 T HA 0.112 4.477 4.350 0.025 0.000 0.217 339 T C -1.873 172.857 174.700 0.050 0.000 0.958 339 T CA -0.294 61.815 62.100 0.015 0.000 1.308 339 T CB 1.241 70.114 68.868 0.008 0.000 1.866 339 T HN -0.153 8.072 8.240 -0.025 0.000 0.429 340 R N 1.764 122.306 120.500 0.071 0.000 2.827 340 R HA -0.099 4.379 4.340 0.230 0.000 0.269 340 R C -1.993 174.373 176.300 0.109 0.000 1.048 340 R CA 1.219 57.387 56.100 0.113 0.000 1.173 340 R CB 0.556 30.873 30.300 0.028 0.000 1.070 340 R HN 0.094 8.394 8.270 0.049 0.000 0.498 341 Y N -4.869 115.339 120.300 -0.153 0.000 2.512 341 Y HA 0.216 4.694 4.550 -0.141 -0.013 0.348 341 Y C -2.207 173.607 175.900 -0.143 0.000 0.990 341 Y CA -3.053 54.975 58.100 -0.120 0.000 1.033 341 Y CB 2.153 40.576 38.460 -0.062 0.000 1.259 341 Y HN -0.122 8.448 8.280 0.483 0.000 0.461 342 L N 0.260 121.179 121.223 -0.508 0.000 3.140 342 L HA 0.173 3.225 4.340 -2.147 0.000 0.297 342 L C -0.377 176.151 176.870 -0.570 0.000 0.958 342 L CA -0.166 54.050 54.840 -1.041 0.000 1.030 342 L CB 1.917 43.453 42.059 -0.873 0.000 1.612 342 L HN -0.003 8.114 8.230 -0.238 -0.030 0.363 343 Q N -0.271 119.211 119.800 -0.530 0.000 2.079 343 Q HA -0.228 3.993 4.340 -0.257 -0.035 0.200 343 Q C -0.399 175.478 176.000 -0.205 0.000 0.974 343 Q CA 3.055 58.677 55.803 -0.302 0.000 0.840 343 Q CB 0.692 29.274 28.738 -0.259 0.000 0.898 343 Q HN 0.276 8.141 8.270 -0.674 0.000 0.430 344 T N -5.804 108.624 114.554 -0.208 0.000 2.551 344 T HA 0.176 4.473 4.350 -0.089 0.000 0.249 344 T C -1.258 173.350 174.700 -0.153 0.000 0.851 344 T CA -1.170 60.853 62.100 -0.127 0.000 1.149 344 T CB 0.963 69.783 68.868 -0.080 0.000 1.456 344 T HN -0.614 7.463 8.240 -0.273 0.000 0.514 345 Q N -2.293 117.450 119.800 -0.096 0.000 1.541 345 Q HA -0.379 3.928 4.340 -0.055 0.000 0.326 345 Q C 0.568 176.506 176.000 -0.102 0.000 0.865 345 Q CA 2.222 57.967 55.803 -0.097 0.000 0.872 345 Q CB -1.252 27.399 28.738 -0.145 0.000 3.307 345 Q HN 0.319 8.552 8.270 -0.060 0.000 0.602 346 G N -0.899 107.815 108.800 -0.143 0.000 2.408 346 G HA2 -0.204 3.721 3.960 -0.059 0.000 0.217 346 G HA3 -0.204 3.639 3.960 -0.103 0.056 0.217 346 G C -0.695 174.153 174.900 -0.086 0.000 1.150 346 G CA 0.130 45.170 45.100 -0.100 0.000 0.776 346 G HN 0.278 8.440 8.290 -0.213 0.000 0.542 347 S N 2.608 118.237 115.700 -0.117 0.000 2.416 347 S HA 0.020 4.570 4.470 -0.036 -0.102 0.302 347 S C 0.194 174.741 174.600 -0.089 0.000 1.120 347 S CA -0.590 57.566 58.200 -0.073 0.000 1.067 347 S CB -0.185 62.976 63.200 -0.066 0.000 1.057 347 S HN -0.688 7.547 8.310 -0.192 -0.040 0.518 348 V N 6.943 126.782 119.914 -0.125 0.000 2.811 348 V HA -0.146 3.885 4.120 -0.147 0.000 0.302 348 V C -0.366 175.578 176.094 -0.249 0.000 1.063 348 V CA 0.220 62.385 62.300 -0.225 0.000 1.088 348 V CB 1.102 32.710 31.823 -0.357 0.000 0.982 348 V HN -0.514 7.607 8.190 -0.115 0.000 0.485 349 Y N 5.784 126.063 120.300 -0.034 0.000 2.702 349 Y HA -0.315 4.213 4.550 -0.037 0.000 0.336 349 Y C -0.574 175.311 175.900 -0.024 0.000 1.235 349 Y CA -0.219 57.861 58.100 -0.032 0.000 1.492 349 Y CB -0.054 38.389 38.460 -0.030 0.000 1.308 349 Y HN 0.028 8.226 8.280 -0.136 0.000 0.589 350 K N -0.394 120.069 120.400 0.105 0.000 3.974 350 K HA -0.403 3.943 4.320 0.045 0.000 0.280 350 K C -0.975 175.582 176.600 -0.071 0.000 0.949 350 K CA 0.274 56.590 56.287 0.049 0.000 0.817 350 K CB -1.666 30.921 32.500 0.146 0.000 1.535 350 K HN 0.243 8.574 8.250 0.135 0.000 0.444 351 V N -1.524 118.346 119.914 -0.073 0.000 3.209 351 V HA -0.231 3.809 4.120 -0.133 0.000 0.305 351 V C 0.100 176.152 176.094 -0.069 0.000 1.127 351 V CA 0.675 62.921 62.300 -0.090 0.000 1.235 351 V CB 1.184 32.967 31.823 -0.065 0.000 0.987 351 V HN -0.149 8.016 8.190 -0.043 0.000 0.499 352 S N 4.210 119.867 115.700 -0.072 0.000 2.580 352 S HA -0.150 4.289 4.470 -0.051 0.000 0.266 352 S C -0.371 174.207 174.600 -0.037 0.000 1.354 352 S CA 1.435 59.603 58.200 -0.053 0.000 1.008 352 S CB 0.566 63.737 63.200 -0.049 0.000 0.898 352 S HN 0.186 8.447 8.310 -0.081 0.000 0.555 353 R N 0.202 120.686 120.500 -0.027 0.000 2.787 353 R HA 0.184 4.511 4.340 -0.021 0.000 0.271 353 R C -1.889 174.398 176.300 -0.021 0.000 0.993 353 R CA -1.240 54.848 56.100 -0.020 0.000 0.993 353 R CB 1.614 31.907 30.300 -0.012 0.000 1.155 353 R HN 0.086 8.341 8.270 -0.025 0.000 0.486 354 L N 1.949 123.160 121.223 -0.021 0.000 2.362 354 L HA 0.276 4.604 4.340 -0.020 0.000 0.271 354 L C -1.521 175.338 176.870 -0.018 0.000 1.002 354 L CA -0.529 54.298 54.840 -0.022 0.000 0.818 354 L CB 2.001 44.042 42.059 -0.030 0.000 1.298 354 L HN 0.255 8.473 8.230 -0.020 0.000 0.420 355 E N 0.908 121.099 120.200 -0.016 0.000 8.643 355 E HA -0.283 4.062 4.350 -0.010 0.000 0.478 355 E C -0.563 176.033 176.600 -0.007 0.000 1.175 355 E CA 0.530 56.923 56.400 -0.011 0.000 2.097 355 E CB -0.263 29.429 29.700 -0.013 0.000 1.001 355 E HN 0.469 8.820 8.360 -0.015 0.000 0.262 356 T N 0.640 115.192 114.554 -0.004 0.000 2.708 356 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 356 T C 0.743 175.442 174.700 -0.001 0.000 1.037 356 T CA 2.887 64.987 62.100 -0.001 0.000 1.146 356 T CB 0.079 68.947 68.868 0.001 0.000 0.865 356 T HN 0.378 8.616 8.240 -0.003 0.000 0.435 357 T N 0.941 115.494 114.554 -0.002 0.000 2.788 357 T HA 0.032 4.382 4.350 0.000 0.000 0.280 357 T C -1.066 173.632 174.700 -0.003 0.000 0.984 357 T CA -0.911 61.188 62.100 -0.001 0.000 0.972 357 T CB 1.103 69.971 68.868 -0.000 0.000 1.039 357 T HN -0.494 7.745 8.240 -0.002 0.000 0.530 358 I N 2.631 123.201 120.570 -0.002 0.000 2.291 358 I HA -0.068 4.098 4.170 -0.006 0.000 0.290 358 I C -0.048 176.067 176.117 -0.004 0.000 1.050 358 I CA -0.019 61.279 61.300 -0.003 0.000 1.245 358 I CB 0.050 38.050 38.000 -0.000 0.000 1.405 358 I HN 0.117 8.327 8.210 0.000 0.000 0.478 359 S N 7.840 123.535 115.700 -0.009 0.000 2.343 359 S HA -0.250 4.215 4.470 -0.007 0.000 0.219 359 S C 0.077 174.674 174.600 -0.005 0.000 1.033 359 S CA 2.481 60.675 58.200 -0.010 0.000 1.014 359 S CB 0.450 63.637 63.200 -0.021 0.000 0.915 359 S HN 0.112 8.415 8.310 -0.012 0.000 0.435 360 T N -0.352 114.198 114.554 -0.007 0.000 2.913 360 T HA -0.023 4.636 4.350 0.006 -0.306 0.287 360 T C 0.284 174.988 174.700 0.006 0.000 1.008 360 T CA -0.261 61.839 62.100 0.000 0.000 1.067 360 T CB 1.340 70.204 68.868 -0.006 0.000 0.996 360 T HN -0.494 7.739 8.240 -0.012 0.000 0.513 361 V N 5.178 125.101 119.914 0.015 0.000 2.229 361 V HA 0.010 4.137 4.120 0.012 0.000 0.245 361 V C -1.809 174.295 176.094 0.017 0.000 1.243 361 V CA -0.358 61.952 62.300 0.016 0.000 1.176 361 V CB -2.322 29.513 31.823 0.021 0.000 1.323 361 V HN -0.048 8.260 8.190 0.021 -0.106 0.499 362 V N 4.499 124.419 119.914 0.009 0.000 3.178 362 V HA 0.192 4.319 4.120 0.013 0.000 0.302 362 V C -0.392 175.705 176.094 0.004 0.000 1.262 362 V CA -0.759 61.545 62.300 0.007 0.000 1.030 362 V CB 3.901 35.722 31.823 -0.003 0.000 1.074 362 V HN -0.074 8.094 8.190 0.006 0.025 0.438 363 G N -0.717 108.087 108.800 0.007 0.000 2.153 363 G HA2 -0.241 3.729 3.960 0.017 0.000 0.252 363 G HA3 -0.241 3.722 3.960 0.004 0.000 0.252 363 G C -0.972 173.938 174.900 0.017 0.000 0.994 363 G CA 0.488 45.595 45.100 0.011 0.000 0.698 363 G HN 0.104 8.399 8.290 0.008 0.000 0.521 364 A N 0.000 122.829 122.820 0.016 0.000 2.254 364 A HA 0.000 4.327 4.320 0.012 0.000 0.244 364 A CA 0.000 52.046 52.037 0.014 0.000 0.836 364 A CB 0.000 19.008 19.000 0.013 0.000 0.831 364 A HN 0.000 8.116 8.150 0.015 0.043 0.486