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 2we0_1_A DATA FIRST_RESID 5 DATA SEQUENCE PHIRYAFQND KLLLQQASVG RLTLVNKTTI LLRPMKTTTV DLGLYARPPE DATA SEQUENCE GHGLMLWGST SRPVTSHVGI IDPGYTGELR LILQNQRRYN STLRPSELKI DATA SEQUENCE HLAAFRYATP QXXXXXGPIN HPQYPGDVGL DVSLPKDLAL FPHQTVSVTL DATA SEQUENCE TVPPPSIPHH RPTIFGRSGL AMQGILVKPC RWRRGGVDVS LTNFSDQTVF DATA SEQUENCE LNKYRRFCQL VYLHKHHLTS FYSPHSDAGV LGPRSLFRWA SCTFEEVPSL DATA SEQUENCE AM 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 5 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 5 P C 0.000 177.380 177.300 0.133 0.000 1.155 5 P CA 0.000 63.109 63.100 0.016 0.000 0.800 5 P CB 0.000 31.607 31.700 -0.155 0.000 0.726 6 H N 0.597 119.601 119.070 -0.109 0.000 2.457 6 H HA 0.536 5.112 4.556 0.034 0.000 0.335 6 H C -0.132 175.103 175.328 -0.156 0.000 1.115 6 H CA -0.865 55.118 56.048 -0.108 0.000 1.219 6 H CB 2.143 31.881 29.762 -0.041 0.000 1.471 6 H HN 0.198 8.478 8.280 -0.000 0.000 0.491 7 I N 3.935 124.409 120.570 -0.159 0.000 2.304 7 I HA 0.184 4.374 4.170 0.033 0.000 0.291 7 I C -0.033 176.105 176.117 0.035 0.000 1.018 7 I CA -0.363 60.814 61.300 -0.205 0.000 1.260 7 I CB 0.625 38.201 38.000 -0.707 0.000 1.390 7 I HN 0.380 8.590 8.210 -0.000 0.000 0.475 8 R N 6.395 126.974 120.500 0.131 0.000 2.349 8 R HA 0.553 4.913 4.340 0.033 0.000 0.299 8 R C -0.979 175.511 176.300 0.317 0.000 1.027 8 R CA -0.377 55.849 56.100 0.210 0.000 0.958 8 R CB 1.000 31.375 30.300 0.125 0.000 1.047 8 R HN 0.575 8.845 8.270 -0.000 0.000 0.468 9 Y N -0.969 119.442 120.300 0.185 0.000 2.625 9 Y HA 0.845 5.416 4.550 0.035 0.000 0.338 9 Y C -1.663 174.353 175.900 0.193 0.000 1.123 9 Y CA -1.493 56.741 58.100 0.223 0.000 1.046 9 Y CB 1.484 40.124 38.460 0.300 0.000 1.299 9 Y HN 0.646 8.926 8.280 -0.000 0.000 0.464 10 A N 2.255 125.182 122.820 0.179 0.000 2.475 10 A HA 0.795 5.135 4.320 0.033 0.000 0.301 10 A C -2.424 175.428 177.584 0.447 0.000 1.059 10 A CA -0.598 51.479 52.037 0.067 0.000 0.710 10 A CB 1.530 20.544 19.000 0.024 0.000 1.288 10 A HN 1.045 9.195 8.150 -0.000 0.000 0.408 11 F N 0.703 120.771 119.950 0.196 0.000 2.573 11 F HA 0.691 5.239 4.527 0.034 0.000 0.316 11 F C -0.369 175.509 175.800 0.130 0.000 1.148 11 F CA 0.314 58.449 58.000 0.225 0.000 0.940 11 F CB 1.652 40.810 39.000 0.263 0.000 1.214 11 F HN 1.044 9.344 8.300 -0.000 0.000 0.448 12 Q N 4.045 123.465 119.800 -0.632 0.000 2.309 12 Q HA 0.640 5.000 4.340 0.033 0.000 0.254 12 Q C -2.253 173.344 176.000 -0.672 0.000 0.938 12 Q CA -0.867 54.544 55.803 -0.654 0.000 0.789 12 Q CB 1.685 30.279 28.738 -0.241 0.000 1.313 12 Q HN 0.768 9.038 8.270 -0.000 0.000 0.438 13 N N 0.596 118.813 118.700 -0.804 0.000 2.697 13 N HA 0.107 4.867 4.740 0.033 0.000 0.271 13 N C 0.010 175.414 175.510 -0.177 0.000 1.149 13 N CA 0.429 53.279 53.050 -0.334 0.000 0.939 13 N CB 1.811 40.210 38.487 -0.147 0.000 1.534 13 N HN 0.591 8.971 8.380 -0.000 0.000 0.556 14 D N 1.527 121.869 120.400 -0.097 0.000 2.310 14 D HA -0.077 4.583 4.640 0.033 0.000 0.212 14 D C 0.880 177.183 176.300 0.006 0.000 0.965 14 D CA 0.997 54.975 54.000 -0.037 0.000 0.879 14 D CB 0.026 40.806 40.800 -0.033 0.000 0.921 14 D HN 0.648 9.018 8.370 -0.000 0.000 0.510 15 K N -0.642 119.767 120.400 0.015 0.000 2.444 15 K HA 0.284 4.624 4.320 0.033 0.000 0.193 15 K C 0.295 176.928 176.600 0.054 0.000 1.024 15 K CA 0.084 56.387 56.287 0.027 0.000 1.077 15 K CB 0.223 32.733 32.500 0.016 0.000 0.833 15 K HN 0.352 8.602 8.250 -0.000 0.000 0.517 16 L N 1.088 122.381 121.223 0.118 0.000 2.354 16 L HA 0.447 4.807 4.340 0.033 0.000 0.269 16 L C -1.033 175.965 176.870 0.212 0.000 1.005 16 L CA -1.327 53.607 54.840 0.158 0.000 0.819 16 L CB 1.641 43.829 42.059 0.216 0.000 1.311 16 L HN -0.111 8.119 8.230 -0.000 0.000 0.423 17 L N 2.744 124.014 121.223 0.078 0.000 2.307 17 L HA 0.494 4.854 4.340 0.033 0.000 0.284 17 L C -0.697 176.119 176.870 -0.090 0.000 1.023 17 L CA -0.472 54.398 54.840 0.050 0.000 0.810 17 L CB 1.612 43.670 42.059 -0.000 0.000 1.231 17 L HN 0.475 8.705 8.230 -0.000 0.000 0.423 18 L N 4.373 125.531 121.223 -0.108 0.000 2.385 18 L HA 0.201 4.561 4.340 0.033 0.000 0.281 18 L C 1.183 177.949 176.870 -0.173 0.000 1.106 18 L CA 0.817 55.485 54.840 -0.287 0.000 0.856 18 L CB 0.559 42.462 42.059 -0.259 0.000 1.186 18 L HN 0.957 9.187 8.230 -0.000 0.000 0.453 19 Q N 3.828 123.508 119.800 -0.199 0.000 2.049 19 Q HA -0.029 4.331 4.340 0.033 0.000 0.198 19 Q C -0.254 175.668 176.000 -0.130 0.000 0.971 19 Q CA 1.539 57.258 55.803 -0.139 0.000 0.833 19 Q CB 0.301 28.957 28.738 -0.138 0.000 0.896 19 Q HN 0.836 9.106 8.270 -0.000 0.000 0.434 20 Q N -2.260 117.429 119.800 -0.185 0.000 2.702 20 Q HA 0.604 4.965 4.340 0.033 0.000 0.289 20 Q C -2.008 173.827 176.000 -0.274 0.000 0.923 20 Q CA -0.613 55.088 55.803 -0.169 0.000 0.787 20 Q CB 1.186 29.859 28.738 -0.109 0.000 1.476 20 Q HN 0.079 8.349 8.270 -0.000 0.000 0.402 21 A N 1.325 123.999 122.820 -0.243 0.000 2.545 21 A HA 0.721 5.061 4.320 0.033 0.000 0.300 21 A C -1.181 176.334 177.584 -0.114 0.000 1.252 21 A CA -0.365 51.463 52.037 -0.348 0.000 0.753 21 A CB 1.137 19.848 19.000 -0.483 0.000 1.144 21 A HN 0.515 8.665 8.150 -0.000 0.000 0.457 22 S N 0.220 115.883 115.700 -0.062 0.000 2.546 22 S HA 0.532 5.022 4.470 0.033 0.000 0.274 22 S C 0.453 175.096 174.600 0.073 0.000 1.121 22 S CA 0.018 58.232 58.200 0.023 0.000 0.887 22 S CB 1.805 65.002 63.200 -0.005 0.000 1.094 22 S HN 2.009 10.319 8.310 -0.000 0.000 0.474 23 V N -0.330 119.644 119.914 0.099 0.000 4.614 23 V HA -0.165 3.975 4.120 0.033 0.000 0.246 23 V C 0.908 177.173 176.094 0.285 0.000 0.564 23 V CA 1.558 63.914 62.300 0.093 0.000 0.790 23 V CB -2.557 29.143 31.823 -0.206 0.000 0.747 23 V HN 2.370 10.560 8.190 -0.000 0.000 1.119 24 G N -0.696 108.307 108.800 0.338 0.000 2.159 24 G HA2 -0.311 3.669 3.960 0.033 0.000 0.256 24 G HA3 -0.311 3.669 3.960 0.033 0.000 0.256 24 G C 0.182 175.273 174.900 0.319 0.000 0.977 24 G CA 0.875 46.219 45.100 0.407 0.000 0.652 24 G HN 1.683 9.973 8.290 -0.000 0.000 0.531 25 R N -0.405 120.171 120.500 0.125 0.000 2.575 25 R HA 0.704 5.064 4.340 0.033 0.000 0.293 25 R C -0.766 175.311 176.300 -0.371 0.000 0.983 25 R CA -0.975 54.985 56.100 -0.233 0.000 0.887 25 R CB 1.101 30.877 30.300 -0.873 0.000 1.184 25 R HN 0.272 8.542 8.270 -0.000 0.000 0.445 26 L N 3.403 124.227 121.223 -0.666 0.000 2.289 26 L HA 0.514 4.875 4.340 0.033 0.000 0.285 26 L C -1.081 175.460 176.870 -0.548 0.000 1.049 26 L CA -0.049 54.269 54.840 -0.871 0.000 0.804 26 L CB 1.871 43.125 42.059 -1.342 0.000 1.195 26 L HN 0.695 8.925 8.230 -0.000 0.000 0.428 27 T N 5.938 120.217 114.554 -0.457 0.000 2.812 27 T HA 0.541 4.911 4.350 0.033 0.000 0.282 27 T C -0.452 173.992 174.700 -0.427 0.000 0.990 27 T CA -0.417 61.449 62.100 -0.389 0.000 0.960 27 T CB 1.247 69.989 68.868 -0.210 0.000 0.948 27 T HN 0.383 8.623 8.240 -0.000 0.000 0.438 28 L N 2.609 123.557 121.223 -0.457 0.000 2.330 28 L HA 0.878 5.238 4.340 0.033 0.000 0.271 28 L C -0.624 176.064 176.870 -0.303 0.000 1.013 28 L CA -1.221 53.377 54.840 -0.402 0.000 0.816 28 L CB 1.872 43.670 42.059 -0.434 0.000 1.287 28 L HN 0.308 8.538 8.230 -0.000 0.000 0.435 29 V N 0.638 120.429 119.914 -0.204 0.000 2.962 29 V HA 0.327 4.467 4.120 0.033 0.000 0.313 29 V C -0.650 175.391 176.094 -0.088 0.000 1.099 29 V CA -1.011 61.199 62.300 -0.151 0.000 0.971 29 V CB 2.354 34.104 31.823 -0.121 0.000 1.028 29 V HN 0.885 9.075 8.190 -0.000 0.000 0.430 30 N N 2.728 121.386 118.700 -0.071 0.000 2.497 30 N HA 0.172 4.932 4.740 0.033 0.000 0.271 30 N C 0.047 175.544 175.510 -0.021 0.000 1.142 30 N CA -0.287 52.741 53.050 -0.037 0.000 0.965 30 N CB 1.540 40.006 38.487 -0.035 0.000 1.077 30 N HN 0.652 9.032 8.380 -0.000 0.000 0.462 31 K N -0.016 120.382 120.400 -0.004 0.000 2.356 31 K HA 0.025 4.365 4.320 0.033 0.000 0.195 31 K C 0.386 176.986 176.600 -0.000 0.000 1.037 31 K CA 0.548 56.835 56.287 0.001 0.000 1.014 31 K CB 0.254 32.761 32.500 0.013 0.000 0.815 31 K HN 0.836 9.086 8.250 -0.000 0.000 0.507 32 T N -2.133 112.420 114.554 -0.001 0.000 2.926 32 T HA 0.271 4.641 4.350 0.033 0.000 0.289 32 T C 0.108 174.807 174.700 -0.003 0.000 1.054 32 T CA -0.819 61.281 62.100 -0.000 0.000 1.015 32 T CB 1.902 70.771 68.868 0.002 0.000 1.167 32 T HN -0.266 7.974 8.240 -0.000 0.000 0.526 33 T N 1.759 116.313 114.554 -0.000 0.000 2.901 33 T HA 0.403 4.773 4.350 0.033 0.000 0.301 33 T C -0.031 174.669 174.700 0.000 0.000 1.012 33 T CA -0.127 61.974 62.100 0.001 0.000 1.135 33 T CB -0.254 68.617 68.868 0.004 0.000 0.936 33 T HN 0.457 8.697 8.240 -0.000 0.000 0.539 34 I N 4.087 124.656 120.570 -0.001 0.000 2.355 34 I HA 0.275 4.465 4.170 0.033 0.000 0.288 34 I C -0.452 175.666 176.117 0.003 0.000 0.999 34 I CA -0.913 60.385 61.300 -0.003 0.000 1.163 34 I CB 1.441 39.434 38.000 -0.012 0.000 1.316 34 I HN 0.327 8.537 8.210 -0.000 0.000 0.454 35 L N 8.450 129.677 121.223 0.006 0.000 2.313 35 L HA 0.384 4.744 4.340 0.033 0.000 0.282 35 L C -0.915 175.961 176.870 0.011 0.000 1.092 35 L CA 0.076 54.924 54.840 0.013 0.000 0.831 35 L CB 0.678 42.747 42.059 0.016 0.000 1.159 35 L HN 0.410 8.640 8.230 -0.000 0.000 0.442 36 L N 6.107 127.339 121.223 0.014 0.000 2.294 36 L HA 0.500 4.860 4.340 0.033 0.000 0.283 36 L C 0.271 177.154 176.870 0.022 0.000 1.015 36 L CA -0.215 54.629 54.840 0.008 0.000 0.831 36 L CB 1.093 43.147 42.059 -0.007 0.000 1.217 36 L HN 0.555 8.785 8.230 -0.000 0.000 0.420 37 R N 4.116 124.630 120.500 0.023 0.000 2.679 37 R HA 0.200 4.560 4.340 0.033 0.000 0.268 37 R C -2.165 174.157 176.300 0.037 0.000 1.044 37 R CA -1.336 54.784 56.100 0.032 0.000 1.105 37 R CB -0.146 30.172 30.300 0.029 0.000 0.989 37 R HN 0.330 8.600 8.270 -0.000 0.000 0.447 38 P HA 0.011 4.431 4.420 -0.000 0.000 0.274 38 P C -0.092 177.250 177.300 0.070 0.000 1.231 38 P CA -0.104 63.026 63.100 0.051 0.000 0.790 38 P CB 0.784 32.489 31.700 0.008 0.000 0.951 39 M N -2.586 117.102 119.600 0.146 0.000 2.939 39 M HA -0.199 4.301 4.480 0.033 0.000 0.194 39 M C -0.401 175.963 176.300 0.106 0.000 0.617 39 M CA 1.387 56.774 55.300 0.144 0.000 0.734 39 M CB -2.788 29.846 32.600 0.057 0.000 2.637 39 M HN 0.491 8.781 8.290 -0.000 0.000 0.316 40 K N -0.365 120.084 120.400 0.081 0.000 2.435 40 K HA 0.632 4.972 4.320 0.033 0.000 0.251 40 K C -0.077 176.539 176.600 0.027 0.000 0.954 40 K CA -0.579 55.737 56.287 0.049 0.000 0.820 40 K CB 1.917 34.436 32.500 0.033 0.000 1.292 40 K HN -0.027 8.223 8.250 -0.000 0.000 0.436 41 T N 1.648 116.209 114.554 0.012 0.000 2.901 41 T HA 0.147 4.517 4.350 0.033 0.000 0.301 41 T C -0.280 174.409 174.700 -0.018 0.000 1.012 41 T CA 0.051 62.141 62.100 -0.016 0.000 1.135 41 T CB 0.537 69.396 68.868 -0.016 0.000 0.936 41 T HN 0.373 8.613 8.240 -0.000 0.000 0.539 42 T N 3.499 118.033 114.554 -0.033 0.000 2.770 42 T HA 0.504 4.874 4.350 0.033 0.000 0.283 42 T C 0.408 175.092 174.700 -0.027 0.000 0.988 42 T CA -0.868 61.216 62.100 -0.026 0.000 0.957 42 T CB 0.844 69.695 68.868 -0.028 0.000 0.930 42 T HN 0.726 8.966 8.240 -0.000 0.000 0.443 43 T N 0.208 114.752 114.554 -0.017 0.000 2.829 43 T HA 0.640 5.010 4.350 0.033 0.000 0.282 43 T C -0.210 174.483 174.700 -0.011 0.000 0.990 43 T CA -0.784 61.308 62.100 -0.014 0.000 1.028 43 T CB 1.024 69.886 68.868 -0.009 0.000 0.951 43 T HN 0.259 8.499 8.240 -0.000 0.000 0.460 44 V N 3.295 123.201 119.914 -0.013 0.000 2.328 44 V HA 0.263 4.403 4.120 0.033 0.000 0.278 44 V C -0.193 175.898 176.094 -0.006 0.000 1.021 44 V CA -0.970 61.323 62.300 -0.011 0.000 0.838 44 V CB 0.988 32.799 31.823 -0.020 0.000 0.999 44 V HN 0.905 9.095 8.190 -0.000 0.000 0.447 45 D N 5.002 125.402 120.400 0.000 0.000 2.346 45 D HA 0.148 4.808 4.640 0.033 0.000 0.260 45 D C 1.060 177.367 176.300 0.010 0.000 1.252 45 D CA 0.149 54.149 54.000 0.001 0.000 0.895 45 D CB 1.729 42.532 40.800 0.005 0.000 1.097 45 D HN 0.411 8.781 8.370 -0.000 0.000 0.489 46 L N 1.399 122.626 121.223 0.006 0.000 2.313 46 L HA 0.044 4.404 4.340 0.033 0.000 0.214 46 L C 1.743 178.687 176.870 0.123 0.000 1.119 46 L CA 0.380 55.254 54.840 0.057 0.000 0.809 46 L CB -0.242 41.833 42.059 0.026 0.000 0.933 46 L HN 0.606 8.836 8.230 -0.000 0.000 0.449 47 G N 1.393 110.209 108.800 0.026 0.000 2.225 47 G HA2 -0.297 3.683 3.960 0.033 0.000 0.267 47 G HA3 -0.297 3.683 3.960 0.033 0.000 0.267 47 G C -0.331 174.659 174.900 0.150 0.000 1.024 47 G CA 0.469 45.600 45.100 0.052 0.000 0.784 47 G HN 0.224 8.514 8.290 -0.000 0.000 0.507 48 L N -0.060 121.168 121.223 0.009 0.000 2.362 48 L HA 0.876 5.236 4.340 0.033 0.000 0.275 48 L C -1.014 175.789 176.870 -0.110 0.000 0.998 48 L CA -1.805 53.143 54.840 0.180 0.000 0.820 48 L CB 1.284 43.449 42.059 0.177 0.000 1.270 48 L HN 0.108 8.338 8.230 -0.000 0.000 0.415 49 Y N 3.823 124.264 120.300 0.234 0.000 2.442 49 Y HA 0.868 5.439 4.550 0.035 0.000 0.344 49 Y C -0.013 176.030 175.900 0.238 0.000 0.976 49 Y CA -0.509 57.707 58.100 0.194 0.000 1.040 49 Y CB 2.238 40.771 38.460 0.121 0.000 1.228 49 Y HN 0.805 9.085 8.280 -0.000 0.000 0.451 50 A N 3.143 126.167 122.820 0.340 0.000 2.574 50 A HA 0.899 5.239 4.320 0.033 0.000 0.297 50 A C -1.369 176.343 177.584 0.214 0.000 1.062 50 A CA -1.127 51.089 52.037 0.298 0.000 0.686 50 A CB 1.713 20.892 19.000 0.298 0.000 1.285 50 A HN 0.768 8.918 8.150 -0.000 0.000 0.403 51 R N 1.917 122.518 120.500 0.168 0.000 2.513 51 R HA 0.566 4.926 4.340 0.033 0.000 0.301 51 R C -2.932 173.407 176.300 0.066 0.000 0.968 51 R CA -1.697 54.471 56.100 0.113 0.000 0.872 51 R CB 2.601 32.958 30.300 0.095 0.000 1.177 51 R HN 0.559 8.829 8.270 -0.000 0.000 0.444 52 P HA 0.243 4.663 4.420 -0.000 0.000 0.279 52 P C -2.432 174.862 177.300 -0.010 0.000 1.252 52 P CA -1.578 61.517 63.100 -0.008 0.000 0.811 52 P CB 0.323 32.028 31.700 0.007 0.000 1.035 53 P HA 0.066 4.486 4.420 -0.000 0.000 0.271 53 P C 0.098 177.430 177.300 0.053 0.000 1.244 53 P CA -0.053 63.005 63.100 -0.071 0.000 0.793 53 P CB 0.489 32.047 31.700 -0.236 0.000 0.984 54 E N -0.187 120.058 120.200 0.075 0.000 2.414 54 E HA 0.137 4.507 4.350 0.033 0.000 0.263 54 E C 1.057 177.778 176.600 0.202 0.000 1.000 54 E CA 0.943 57.411 56.400 0.114 0.000 0.914 54 E CB -0.377 29.361 29.700 0.064 0.000 0.948 54 E HN 0.777 9.137 8.360 -0.000 0.000 0.444 55 G N 3.641 112.511 108.800 0.116 0.000 2.184 55 G HA2 -0.267 3.713 3.960 0.033 0.000 0.264 55 G HA3 -0.267 3.713 3.960 0.033 0.000 0.264 55 G C -0.216 174.642 174.900 -0.069 0.000 0.975 55 G CA 0.742 45.827 45.100 -0.024 0.000 0.642 55 G HN 0.710 9.000 8.290 -0.000 0.000 0.536 56 H N -0.349 118.756 119.070 0.059 0.000 2.621 56 H HA 0.650 5.226 4.556 0.033 0.000 0.360 56 H C 0.783 176.126 175.328 0.026 0.000 1.163 56 H CA 0.403 56.476 56.048 0.041 0.000 1.194 56 H CB 1.712 31.453 29.762 -0.034 0.000 1.649 56 H HN 0.444 8.724 8.280 -0.000 0.000 0.532 57 G N 0.693 109.316 108.800 -0.294 0.000 2.705 57 G HA2 0.590 4.570 3.960 0.033 0.000 0.299 57 G HA3 0.590 4.570 3.960 0.033 0.000 0.299 57 G C -1.072 173.399 174.900 -0.715 0.000 1.315 57 G CA -0.808 43.961 45.100 -0.552 0.000 1.045 57 G HN 0.444 8.734 8.290 -0.000 0.000 0.517 58 L N -0.403 120.626 121.223 -0.324 0.000 2.330 58 L HA 0.627 4.987 4.340 0.033 0.000 0.271 58 L C -0.423 176.585 176.870 0.229 0.000 1.013 58 L CA -0.877 53.945 54.840 -0.031 0.000 0.816 58 L CB 2.294 44.383 42.059 0.050 0.000 1.287 58 L HN 0.423 8.653 8.230 -0.000 0.000 0.435 59 M N 3.023 122.853 119.600 0.383 0.000 2.243 59 M HA 0.505 5.005 4.480 0.033 0.000 0.324 59 M C -1.631 174.880 176.300 0.352 0.000 1.031 59 M CA -0.402 55.065 55.300 0.278 0.000 0.949 59 M CB 1.631 34.300 32.600 0.115 0.000 1.615 59 M HN 0.386 8.676 8.290 -0.000 0.000 0.430 60 L N 7.269 128.632 121.223 0.233 0.000 2.313 60 L HA 0.886 5.246 4.340 0.033 0.000 0.283 60 L C -1.856 175.215 176.870 0.336 0.000 1.013 60 L CA 0.129 55.099 54.840 0.217 0.000 0.816 60 L CB 0.930 43.027 42.059 0.063 0.000 1.236 60 L HN 0.886 9.116 8.230 -0.000 0.000 0.419 61 W N 3.865 125.155 121.300 -0.015 0.000 3.118 61 W HA 0.854 5.529 4.660 0.026 0.000 0.328 61 W C -0.759 175.759 176.519 -0.001 0.000 1.239 61 W CA -0.996 56.344 57.345 -0.008 0.000 1.176 61 W CB 0.862 30.334 29.460 0.021 0.000 1.433 61 W HN 0.806 8.986 8.180 -0.000 0.000 0.562 62 G N 0.747 109.603 108.800 0.094 0.000 2.441 62 G HA2 0.553 4.533 3.960 0.033 0.000 0.334 62 G HA3 0.553 4.533 3.960 0.033 0.000 0.334 62 G C -1.469 173.456 174.900 0.043 0.000 1.161 62 G CA -0.862 44.198 45.100 -0.067 0.000 0.935 62 G HN 0.736 9.026 8.290 -0.000 0.000 0.488 63 S N -0.788 114.890 115.700 -0.036 0.000 2.572 63 S HA 0.748 5.238 4.470 0.033 0.000 0.274 63 S C -0.851 173.761 174.600 0.019 0.000 1.150 63 S CA -0.400 57.845 58.200 0.075 0.000 0.944 63 S CB 1.953 65.263 63.200 0.184 0.000 1.071 63 S HN 1.049 9.359 8.310 -0.000 0.000 0.479 64 T N 1.216 115.795 114.554 0.042 0.000 2.885 64 T HA 0.463 4.833 4.350 0.033 0.000 0.322 64 T C 0.409 175.131 174.700 0.037 0.000 1.387 64 T CA 0.084 62.197 62.100 0.022 0.000 1.041 64 T CB 1.245 70.113 68.868 -0.000 0.000 1.287 64 T HN 0.875 9.115 8.240 -0.000 0.000 0.491 65 S N 2.372 118.091 115.700 0.031 0.000 2.577 65 S HA 0.310 4.800 4.470 0.033 0.000 0.219 65 S C 0.746 175.364 174.600 0.030 0.000 0.962 65 S CA -0.613 57.608 58.200 0.035 0.000 0.921 65 S CB -0.053 63.167 63.200 0.034 0.000 0.789 65 S HN 0.563 8.873 8.310 -0.000 0.000 0.497 66 R N 2.470 122.984 120.500 0.024 0.000 2.649 66 R HA 0.342 4.702 4.340 0.033 0.000 0.270 66 R C -2.627 173.687 176.300 0.024 0.000 1.105 66 R CA -2.299 53.816 56.100 0.025 0.000 1.193 66 R CB -1.104 29.208 30.300 0.019 0.000 1.120 66 R HN 0.110 8.380 8.270 -0.000 0.000 0.561 67 P HA 0.162 4.582 4.420 -0.000 0.000 0.225 67 P C -0.838 176.463 177.300 0.001 0.000 1.813 67 P CA 0.042 63.155 63.100 0.022 0.000 1.013 67 P CB 0.258 31.975 31.700 0.028 0.000 1.961 68 V N 1.518 121.425 119.914 -0.012 0.000 2.686 68 V HA 0.366 4.506 4.120 0.033 0.000 0.306 68 V C 0.034 176.085 176.094 -0.072 0.000 1.065 68 V CA -0.255 62.011 62.300 -0.056 0.000 0.894 68 V CB 2.606 34.401 31.823 -0.047 0.000 1.004 68 V HN 0.150 8.340 8.190 -0.000 0.000 0.424 69 T N 3.149 117.601 114.554 -0.169 0.000 2.797 69 T HA 0.532 4.902 4.350 0.033 0.000 0.279 69 T C -0.086 174.521 174.700 -0.155 0.000 0.991 69 T CA -0.516 61.499 62.100 -0.142 0.000 0.979 69 T CB 1.426 70.196 68.868 -0.163 0.000 0.943 69 T HN 0.780 9.020 8.240 -0.000 0.000 0.444 70 S N 1.751 117.422 115.700 -0.049 0.000 2.525 70 S HA 0.441 4.931 4.470 0.033 0.000 0.290 70 S C -0.332 174.294 174.600 0.042 0.000 1.152 70 S CA -0.992 57.201 58.200 -0.012 0.000 1.072 70 S CB 0.655 63.869 63.200 0.023 0.000 1.027 70 S HN 0.799 9.109 8.310 -0.000 0.000 0.500 71 H N 1.442 120.496 119.070 -0.027 0.000 3.001 71 H HA 0.257 4.832 4.556 0.032 0.000 0.334 71 H C -0.654 174.710 175.328 0.059 0.000 1.034 71 H CA 0.077 56.131 56.048 0.010 0.000 1.420 71 H CB 0.251 30.009 29.762 -0.006 0.000 1.405 71 H HN 0.444 8.724 8.280 -0.000 0.000 0.593 72 V N 5.720 125.351 119.914 -0.472 0.000 2.385 72 V HA 0.325 4.465 4.120 0.033 0.000 0.269 72 V C 1.068 176.823 176.094 -0.566 0.000 1.043 72 V CA 0.193 62.307 62.300 -0.309 0.000 0.906 72 V CB 1.029 32.805 31.823 -0.077 0.000 0.995 72 V HN 0.979 9.169 8.190 -0.000 0.000 0.467 73 G N 5.672 114.306 108.800 -0.277 0.000 2.335 73 G HA2 0.601 4.581 3.960 0.033 0.000 0.316 73 G HA3 0.601 4.581 3.960 0.033 0.000 0.316 73 G C -0.540 174.269 174.900 -0.150 0.000 1.129 73 G CA -0.537 44.462 45.100 -0.168 0.000 0.899 73 G HN 0.497 8.787 8.290 -0.000 0.000 0.448 74 I N 3.834 124.305 120.570 -0.166 0.000 2.304 74 I HA 0.221 4.411 4.170 0.033 0.000 0.291 74 I C -0.420 175.635 176.117 -0.104 0.000 1.018 74 I CA -0.634 60.557 61.300 -0.181 0.000 1.260 74 I CB 1.407 39.244 38.000 -0.271 0.000 1.390 74 I HN 0.168 8.378 8.210 -0.000 0.000 0.475 75 I N 5.807 126.340 120.570 -0.062 0.000 2.330 75 I HA 0.265 4.455 4.170 0.033 0.000 0.289 75 I C 0.372 176.445 176.117 -0.074 0.000 1.001 75 I CA -0.702 60.538 61.300 -0.101 0.000 1.193 75 I CB 0.818 38.786 38.000 -0.053 0.000 1.345 75 I HN 0.385 8.595 8.210 -0.000 0.000 0.461 76 D N 8.862 129.228 120.400 -0.057 0.000 2.341 76 D HA 0.169 4.829 4.640 0.033 0.000 0.245 76 D C -1.415 174.923 176.300 0.064 0.000 1.106 76 D CA -1.094 52.901 54.000 -0.008 0.000 0.905 76 D CB 1.444 42.270 40.800 0.042 0.000 1.202 76 D HN 0.295 8.665 8.370 -0.000 0.000 0.426 77 P HA -0.029 4.391 4.420 -0.000 0.000 0.221 77 P C 1.191 178.557 177.300 0.111 0.000 1.150 77 P CA 0.685 63.843 63.100 0.097 0.000 0.800 77 P CB 0.232 32.013 31.700 0.135 0.000 0.787 78 G N -1.879 106.989 108.800 0.113 0.000 2.920 78 G HA2 -0.120 3.860 3.960 0.033 0.000 0.208 78 G HA3 -0.120 3.860 3.960 0.033 0.000 0.208 78 G C -0.104 174.857 174.900 0.102 0.000 1.159 78 G CA -0.156 44.999 45.100 0.092 0.000 0.784 78 G HN 0.227 8.517 8.290 -0.000 0.000 0.535 79 Y N 2.400 122.709 120.300 0.015 0.000 2.436 79 Y HA 0.334 4.904 4.550 0.035 0.000 0.336 79 Y C 1.346 177.272 175.900 0.044 0.000 1.049 79 Y CA 0.268 58.377 58.100 0.014 0.000 1.294 79 Y CB 1.193 39.662 38.460 0.015 0.000 1.179 79 Y HN 0.038 8.318 8.280 -0.000 0.000 0.520 80 T N 1.465 115.840 114.554 -0.298 0.000 3.132 80 T HA 0.403 4.773 4.350 0.033 0.000 0.274 80 T C 0.747 175.297 174.700 -0.251 0.000 1.011 80 T CA 0.040 62.035 62.100 -0.177 0.000 0.899 80 T CB -0.220 68.599 68.868 -0.081 0.000 1.089 80 T HN 0.703 8.943 8.240 -0.000 0.000 0.543 81 G N 0.556 108.883 108.800 -0.788 0.000 2.510 81 G HA2 0.472 4.452 3.960 0.033 0.000 0.280 81 G HA3 0.472 4.452 3.960 0.033 0.000 0.280 81 G C -0.774 174.050 174.900 -0.127 0.000 1.386 81 G CA -0.775 44.064 45.100 -0.435 0.000 1.047 81 G HN 0.475 8.765 8.290 -0.000 0.000 0.527 82 E N -0.741 119.397 120.200 -0.103 0.000 2.313 82 E HA 0.252 4.622 4.350 0.033 0.000 0.276 82 E C -0.132 176.462 176.600 -0.011 0.000 1.031 82 E CA -0.358 55.788 56.400 -0.424 0.000 0.857 82 E CB 0.535 30.026 29.700 -0.349 0.000 1.040 82 E HN 0.214 8.574 8.360 -0.000 0.000 0.408 83 L N 4.726 125.901 121.223 -0.079 0.000 2.380 83 L HA 0.368 4.728 4.340 0.033 0.000 0.273 83 L C 0.470 177.324 176.870 -0.027 0.000 1.138 83 L CA -0.123 54.717 54.840 -0.000 0.000 0.832 83 L CB 0.614 42.669 42.059 -0.008 0.000 1.124 83 L HN 0.482 8.712 8.230 -0.000 0.000 0.454 84 R N 2.737 123.229 120.500 -0.014 0.000 2.686 84 R HA 0.569 4.929 4.340 0.033 0.000 0.286 84 R C -1.278 175.020 176.300 -0.004 0.000 0.969 84 R CA -1.087 55.008 56.100 -0.009 0.000 0.898 84 R CB 2.440 32.741 30.300 0.002 0.000 1.183 84 R HN 0.320 8.590 8.270 -0.000 0.000 0.456 85 L N 3.207 124.425 121.223 -0.008 0.000 2.312 85 L HA 0.459 4.819 4.340 0.033 0.000 0.281 85 L C -0.835 176.039 176.870 0.007 0.000 1.070 85 L CA -0.157 54.684 54.840 0.002 0.000 0.805 85 L CB 1.054 43.096 42.059 -0.028 0.000 1.174 85 L HN 0.521 8.751 8.230 -0.000 0.000 0.434 86 I N 5.953 126.544 120.570 0.035 0.000 2.339 86 I HA 0.382 4.572 4.170 0.033 0.000 0.290 86 I C -0.650 175.460 176.117 -0.011 0.000 0.994 86 I CA -0.221 61.084 61.300 0.007 0.000 1.191 86 I CB 1.173 39.173 38.000 0.000 0.000 1.343 86 I HN 0.449 8.659 8.210 -0.000 0.000 0.458 87 L N 6.033 127.222 121.223 -0.055 0.000 2.319 87 L HA 0.633 4.993 4.340 0.033 0.000 0.267 87 L C -0.611 176.156 176.870 -0.173 0.000 1.011 87 L CA -0.904 53.875 54.840 -0.102 0.000 0.818 87 L CB 1.744 43.755 42.059 -0.080 0.000 1.316 87 L HN 0.440 8.670 8.230 -0.000 0.000 0.432 88 Q N 1.449 121.064 119.800 -0.308 0.000 2.359 88 Q HA 0.337 4.697 4.340 0.033 0.000 0.274 88 Q C -1.313 174.447 176.000 -0.400 0.000 1.074 88 Q CA -0.767 54.760 55.803 -0.460 0.000 0.810 88 Q CB 2.663 30.752 28.738 -1.081 0.000 1.342 88 Q HN 0.425 8.695 8.270 -0.000 0.000 0.427 89 N N 1.355 119.944 118.700 -0.185 0.000 2.422 89 N HA 0.059 4.819 4.740 0.033 0.000 0.264 89 N C 0.311 175.851 175.510 0.051 0.000 1.063 89 N CA 0.341 53.359 53.050 -0.052 0.000 0.959 89 N CB 0.917 39.415 38.487 0.017 0.000 1.087 89 N HN 0.453 8.833 8.380 -0.000 0.000 0.483 90 Q N 1.661 121.490 119.800 0.049 0.000 2.436 90 Q HA 0.069 4.429 4.340 0.033 0.000 0.209 90 Q C 0.128 176.190 176.000 0.104 0.000 0.965 90 Q CA 0.733 56.623 55.803 0.145 0.000 0.910 90 Q CB 0.355 29.167 28.738 0.123 0.000 0.980 90 Q HN 0.381 8.651 8.270 -0.000 0.000 0.491 91 R N 0.357 120.861 120.500 0.006 0.000 2.596 91 R HA 0.311 4.671 4.340 0.033 0.000 0.267 91 R C 0.578 176.794 176.300 -0.142 0.000 1.026 91 R CA -0.408 55.570 56.100 -0.203 0.000 1.087 91 R CB 0.551 30.444 30.300 -0.680 0.000 1.132 91 R HN 0.088 8.358 8.270 -0.000 0.000 0.531 92 R N 0.670 120.995 120.500 -0.291 0.000 2.335 92 R HA 0.084 4.444 4.340 0.033 0.000 0.223 92 R C -0.226 175.996 176.300 -0.130 0.000 0.940 92 R CA 0.320 56.289 56.100 -0.218 0.000 1.086 92 R CB -0.036 30.170 30.300 -0.156 0.000 1.073 92 R HN 0.488 8.758 8.270 -0.000 0.000 0.504 93 Y N -2.999 117.322 120.300 0.034 0.000 2.698 93 Y HA 0.438 5.002 4.550 0.024 0.000 0.332 93 Y C -0.282 175.639 175.900 0.035 0.000 1.119 93 Y CA -2.096 56.019 58.100 0.025 0.000 1.109 93 Y CB 0.120 38.591 38.460 0.018 0.000 1.308 93 Y HN -0.302 7.978 8.280 -0.000 0.000 0.499 94 N N 0.834 119.687 118.700 0.255 0.000 2.356 94 N HA 0.147 4.907 4.740 0.033 0.000 0.252 94 N C -1.024 174.601 175.510 0.191 0.000 1.241 94 N CA 0.374 53.520 53.050 0.161 0.000 0.861 94 N CB 0.501 39.062 38.487 0.123 0.000 1.075 94 N HN 0.632 9.012 8.380 -0.000 0.000 0.461 95 S N -0.138 115.619 115.700 0.095 0.000 2.532 95 S HA 0.715 5.205 4.470 0.033 0.000 0.301 95 S C -0.146 174.487 174.600 0.056 0.000 1.083 95 S CA -0.929 57.322 58.200 0.085 0.000 1.025 95 S CB 1.563 64.785 63.200 0.036 0.000 1.056 95 S HN 0.613 8.923 8.310 -0.000 0.000 0.494 96 T N -0.158 114.427 114.554 0.052 0.000 2.893 96 T HA 0.714 5.084 4.350 0.033 0.000 0.291 96 T C -0.855 173.857 174.700 0.020 0.000 1.028 96 T CA -0.828 61.291 62.100 0.031 0.000 0.995 96 T CB 0.582 69.468 68.868 0.030 0.000 1.051 96 T HN 0.377 8.617 8.240 -0.000 0.000 0.470 97 L N 2.513 123.741 121.223 0.008 0.000 2.295 97 L HA 0.490 4.850 4.340 0.033 0.000 0.281 97 L C 0.753 177.623 176.870 -0.001 0.000 1.018 97 L CA -0.933 53.907 54.840 -0.000 0.000 0.841 97 L CB 1.058 43.110 42.059 -0.012 0.000 1.218 97 L HN 0.544 8.774 8.230 -0.000 0.000 0.424 98 R N 3.042 123.543 120.500 0.002 0.000 2.774 98 R HA 0.217 4.577 4.340 0.033 0.000 0.269 98 R C -2.259 174.037 176.300 -0.006 0.000 1.068 98 R CA -1.593 54.508 56.100 0.001 0.000 1.180 98 R CB -0.068 30.235 30.300 0.004 0.000 1.077 98 R HN 0.257 8.527 8.270 -0.000 0.000 0.513 99 P HA -0.098 4.322 4.420 -0.000 0.000 0.263 99 P C -0.244 177.047 177.300 -0.015 0.000 1.175 99 P CA 1.034 64.128 63.100 -0.011 0.000 0.761 99 P CB 0.651 32.347 31.700 -0.006 0.000 0.794 100 S N 0.613 116.298 115.700 -0.025 0.000 2.857 100 S HA -0.197 4.293 4.470 0.033 0.000 0.268 100 S C 1.132 175.713 174.600 -0.031 0.000 1.297 100 S CA 1.436 59.617 58.200 -0.031 0.000 1.280 100 S CB -1.624 61.563 63.200 -0.022 0.000 1.562 100 S HN 0.683 8.993 8.310 -0.000 0.000 0.661 101 E N -0.484 119.700 120.200 -0.026 0.000 2.299 101 E HA 0.094 4.464 4.350 0.033 0.000 0.193 101 E C 0.401 176.980 176.600 -0.035 0.000 0.998 101 E CA 0.359 56.746 56.400 -0.021 0.000 0.851 101 E CB 0.168 29.863 29.700 -0.009 0.000 0.795 101 E HN 0.389 8.749 8.360 -0.000 0.000 0.492 102 L N 1.787 122.977 121.223 -0.055 0.000 2.272 102 L HA 0.278 4.638 4.340 0.033 0.000 0.289 102 L C -0.973 175.811 176.870 -0.142 0.000 1.032 102 L CA -0.586 54.203 54.840 -0.086 0.000 0.810 102 L CB 0.837 42.847 42.059 -0.081 0.000 1.205 102 L HN -0.345 7.885 8.230 -0.000 0.000 0.422 103 K N 5.495 125.778 120.400 -0.195 0.000 2.138 103 K HA 0.679 5.019 4.320 0.033 0.000 0.263 103 K C -1.094 175.167 176.600 -0.564 0.000 0.965 103 K CA -0.080 55.984 56.287 -0.371 0.000 0.868 103 K CB 1.536 33.809 32.500 -0.379 0.000 1.083 103 K HN 0.518 8.768 8.250 -0.000 0.000 0.443 104 I N 3.430 123.592 120.570 -0.679 0.000 2.447 104 I HA 0.273 4.463 4.170 0.033 0.000 0.287 104 I C -0.560 175.058 176.117 -0.832 0.000 1.023 104 I CA -0.717 60.210 61.300 -0.622 0.000 1.083 104 I CB 1.236 39.016 38.000 -0.367 0.000 1.245 104 I HN 0.441 8.651 8.210 -0.000 0.000 0.434 105 H N 6.147 124.787 119.070 -0.718 0.000 2.492 105 H HA 0.667 5.241 4.556 0.030 0.000 0.345 105 H C -1.161 173.724 175.328 -0.739 0.000 1.136 105 H CA -0.895 54.563 56.048 -0.984 0.000 1.202 105 H CB 2.886 31.531 29.762 -1.862 0.000 1.524 105 H HN 0.333 8.613 8.280 -0.000 0.000 0.506 106 L N 1.923 122.928 121.223 -0.364 0.000 2.436 106 L HA 0.698 5.058 4.340 0.033 0.000 0.268 106 L C -1.245 175.693 176.870 0.112 0.000 0.974 106 L CA -0.292 54.519 54.840 -0.049 0.000 0.826 106 L CB 1.547 43.589 42.059 -0.028 0.000 1.291 106 L HN 0.846 9.076 8.230 -0.000 0.000 0.406 107 A N 3.280 126.290 122.820 0.317 0.000 2.610 107 A HA 0.970 5.310 4.320 0.033 0.000 0.291 107 A C -1.519 176.313 177.584 0.415 0.000 1.086 107 A CA -0.150 52.078 52.037 0.317 0.000 0.677 107 A CB 1.205 20.297 19.000 0.152 0.000 1.278 107 A HN 1.157 9.307 8.150 -0.000 0.000 0.414 108 A N 0.011 123.035 122.820 0.339 0.000 2.294 108 A HA 0.979 5.319 4.320 0.033 0.000 0.330 108 A C -0.637 177.192 177.584 0.409 0.000 1.133 108 A CA -0.339 51.849 52.037 0.250 0.000 0.836 108 A CB 0.360 19.405 19.000 0.075 0.000 1.190 108 A HN 1.913 10.063 8.150 -0.000 0.000 0.492 109 F N -1.392 118.719 119.950 0.268 0.000 2.619 109 F HA 0.726 5.273 4.527 0.034 0.000 0.308 109 F C -0.362 175.485 175.800 0.078 0.000 1.097 109 F CA -1.100 56.857 58.000 -0.071 0.000 0.953 109 F CB 1.353 40.276 39.000 -0.129 0.000 1.287 109 F HN 0.537 8.837 8.300 -0.000 0.000 0.446 110 R N 1.927 122.586 120.500 0.264 0.000 2.441 110 R HA 0.466 4.826 4.340 0.033 0.000 0.284 110 R C -1.331 175.313 176.300 0.574 0.000 1.070 110 R CA -0.528 55.651 56.100 0.131 0.000 1.047 110 R CB 0.956 31.261 30.300 0.008 0.000 1.016 110 R HN 0.882 9.152 8.270 -0.000 0.000 0.477 111 Y N -0.964 119.555 120.300 0.366 0.000 2.638 111 Y HA 0.836 5.407 4.550 0.034 0.000 0.339 111 Y C -1.304 174.767 175.900 0.286 0.000 1.084 111 Y CA -1.364 57.015 58.100 0.465 0.000 1.068 111 Y CB 1.322 40.063 38.460 0.469 0.000 1.294 111 Y HN 0.599 8.879 8.280 -0.000 0.000 0.480 112 A N 0.377 123.338 122.820 0.235 0.000 2.527 112 A HA 0.866 5.206 4.320 0.033 0.000 0.293 112 A C -1.325 176.343 177.584 0.139 0.000 1.117 112 A CA -0.881 51.078 52.037 -0.130 0.000 0.723 112 A CB 1.648 20.195 19.000 -0.755 0.000 1.313 112 A HN 0.783 8.933 8.150 -0.000 0.000 0.411 113 T N 2.934 117.485 114.554 -0.005 0.000 2.937 113 T HA 0.656 5.026 4.350 0.033 0.000 0.297 113 T C -2.607 172.050 174.700 -0.071 0.000 0.991 113 T CA -0.543 61.604 62.100 0.078 0.000 0.990 113 T CB 1.498 70.477 68.868 0.185 0.000 0.991 113 T HN 0.664 8.904 8.240 -0.000 0.000 0.440 114 P HA 0.447 4.867 4.420 -0.000 0.000 0.281 114 P C -0.628 176.662 177.300 -0.017 0.000 1.281 114 P CA -0.733 62.300 63.100 -0.112 0.000 0.811 114 P CB 1.268 32.884 31.700 -0.140 0.000 1.154 122 P HA 0.201 4.621 4.420 -0.000 0.000 0.229 122 P C 0.433 177.833 177.300 0.167 0.000 1.160 122 P CA 0.446 63.658 63.100 0.188 0.000 0.777 122 P CB 0.289 32.122 31.700 0.221 0.000 0.814 123 I N 0.222 120.876 120.570 0.141 0.000 2.315 123 I HA 0.157 4.347 4.170 0.033 0.000 0.291 123 I C -0.103 176.066 176.117 0.087 0.000 1.006 123 I CA -0.629 60.744 61.300 0.123 0.000 1.265 123 I CB 1.101 39.178 38.000 0.128 0.000 1.387 123 I HN -0.169 8.041 8.210 -0.000 0.000 0.475 124 N N 3.051 121.785 118.700 0.057 0.000 2.384 124 N HA 0.399 5.159 4.740 0.033 0.000 0.301 124 N C -0.662 174.839 175.510 -0.015 0.000 1.133 124 N CA -0.886 52.164 53.050 0.001 0.000 0.853 124 N CB 0.872 39.319 38.487 -0.068 0.000 1.241 124 N HN 0.586 8.966 8.380 -0.000 0.000 0.502 125 H N -1.310 117.778 119.070 0.031 0.000 2.679 125 H HA 0.397 4.973 4.556 0.034 0.000 0.369 125 H C -2.473 172.867 175.328 0.020 0.000 1.178 125 H CA -1.515 54.550 56.048 0.029 0.000 1.419 125 H CB -0.372 29.399 29.762 0.015 0.000 1.458 125 H HN 0.320 8.600 8.280 -0.000 0.000 0.605 126 P HA -0.021 4.399 4.420 -0.000 0.000 0.269 126 P C 0.498 177.831 177.300 0.055 0.000 1.215 126 P CA -0.157 62.996 63.100 0.089 0.000 0.780 126 P CB 0.708 32.493 31.700 0.142 0.000 0.898 127 Q N 0.966 120.727 119.800 -0.065 0.000 2.050 127 Q HA -0.122 4.238 4.340 0.033 0.000 0.202 127 Q C -0.292 175.444 176.000 -0.441 0.000 0.980 127 Q CA 1.617 57.252 55.803 -0.280 0.000 0.840 127 Q CB -0.015 28.555 28.738 -0.281 0.000 0.898 127 Q HN 0.501 8.771 8.270 -0.000 0.000 0.424 128 Y N -0.852 119.511 120.300 0.105 0.000 2.499 128 Y HA 0.383 4.953 4.550 0.033 0.000 0.347 128 Y C -2.145 173.816 175.900 0.101 0.000 0.987 128 Y CA -3.190 54.970 58.100 0.099 0.000 1.044 128 Y CB 1.169 39.679 38.460 0.084 0.000 1.245 128 Y HN 0.022 8.302 8.280 -0.000 0.000 0.461 129 P HA -0.073 4.347 4.420 -0.000 0.000 0.257 129 P C 0.840 178.248 177.300 0.180 0.000 1.144 129 P CA 2.281 65.485 63.100 0.173 0.000 0.761 129 P CB 0.041 31.828 31.700 0.144 0.000 0.734 130 G N 2.662 111.565 108.800 0.172 0.000 2.253 130 G HA2 -0.227 3.753 3.960 0.033 0.000 0.251 130 G HA3 -0.227 3.753 3.960 0.033 0.000 0.251 130 G C 0.035 175.044 174.900 0.182 0.000 0.998 130 G CA -0.123 45.094 45.100 0.194 0.000 0.621 130 G HN 0.509 8.799 8.290 -0.000 0.000 0.524 131 D N 0.483 120.977 120.400 0.156 0.000 2.525 131 D HA 0.284 4.945 4.640 0.033 0.000 0.235 131 D C 1.827 178.127 176.300 0.001 0.000 1.137 131 D CA 0.481 54.534 54.000 0.089 0.000 0.868 131 D CB 1.378 42.257 40.800 0.132 0.000 1.180 131 D HN 0.110 8.480 8.370 -0.000 0.000 0.465 132 V N 2.240 122.042 119.914 -0.187 0.000 2.358 132 V HA -0.038 4.102 4.120 0.033 0.000 0.246 132 V C 1.450 177.494 176.094 -0.083 0.000 1.047 132 V CA 1.836 63.896 62.300 -0.399 0.000 1.035 132 V CB -0.625 30.905 31.823 -0.489 0.000 0.658 132 V HN 0.610 8.800 8.190 -0.000 0.000 0.452 133 G N -0.284 108.498 108.800 -0.030 0.000 2.412 133 G HA2 0.588 4.568 3.960 0.033 0.000 0.318 133 G HA3 0.588 4.568 3.960 0.033 0.000 0.318 133 G C -1.352 173.579 174.900 0.053 0.000 1.146 133 G CA -0.454 44.659 45.100 0.022 0.000 0.882 133 G HN 0.159 8.449 8.290 -0.000 0.000 0.501 134 L N 1.531 122.796 121.223 0.070 0.000 2.313 134 L HA 0.324 4.684 4.340 0.033 0.000 0.283 134 L C -0.394 176.495 176.870 0.032 0.000 1.013 134 L CA -0.824 54.053 54.840 0.061 0.000 0.816 134 L CB 1.781 43.907 42.059 0.112 0.000 1.236 134 L HN 0.342 8.572 8.230 -0.000 0.000 0.419 135 D N 2.110 122.511 120.400 0.001 0.000 2.455 135 D HA 0.219 4.879 4.640 0.033 0.000 0.241 135 D C -0.338 175.977 176.300 0.026 0.000 1.138 135 D CA 0.198 54.195 54.000 -0.005 0.000 0.877 135 D CB 1.561 42.352 40.800 -0.015 0.000 1.187 135 D HN 0.102 8.472 8.370 -0.000 0.000 0.451 136 V N 1.975 121.893 119.914 0.006 0.000 2.495 136 V HA 0.222 4.362 4.120 0.033 0.000 0.298 136 V C 0.429 176.633 176.094 0.184 0.000 1.031 136 V CA -0.773 61.569 62.300 0.071 0.000 0.871 136 V CB 1.926 33.745 31.823 -0.007 0.000 0.988 136 V HN 0.418 8.608 8.190 -0.000 0.000 0.432 137 S N 4.329 120.189 115.700 0.266 0.000 2.565 137 S HA 0.492 4.982 4.470 0.033 0.000 0.274 137 S C -0.069 174.742 174.600 0.352 0.000 1.309 137 S CA -0.453 57.938 58.200 0.319 0.000 1.043 137 S CB 0.746 64.115 63.200 0.282 0.000 0.939 137 S HN 0.549 8.859 8.310 -0.000 0.000 0.504 138 L N 4.512 125.840 121.223 0.176 0.000 2.455 138 L HA 0.163 4.523 4.340 0.033 0.000 0.272 138 L C -1.552 175.204 176.870 -0.190 0.000 1.174 138 L CA -1.329 53.376 54.840 -0.224 0.000 0.869 138 L CB 0.906 42.753 42.059 -0.353 0.000 1.130 138 L HN 0.515 8.745 8.230 -0.000 0.000 0.474 139 P HA 0.050 4.470 4.420 -0.000 0.000 0.255 139 P C -1.104 176.059 177.300 -0.228 0.000 1.248 139 P CA 0.274 63.275 63.100 -0.165 0.000 0.807 139 P CB 0.191 31.841 31.700 -0.083 0.000 1.150 140 K N -2.367 117.873 120.400 -0.267 0.000 2.639 140 K HA 0.286 4.626 4.320 0.033 0.000 0.279 140 K C -1.767 174.706 176.600 -0.210 0.000 0.976 140 K CA -0.881 55.274 56.287 -0.221 0.000 0.861 140 K CB 0.295 32.699 32.500 -0.160 0.000 1.436 140 K HN -0.399 7.851 8.250 -0.000 0.000 0.400 141 D N 1.826 122.132 120.400 -0.156 0.000 2.472 141 D HA 0.194 4.854 4.640 0.033 0.000 0.237 141 D C -0.297 175.946 176.300 -0.096 0.000 1.141 141 D CA 0.460 54.397 54.000 -0.104 0.000 0.875 141 D CB 0.459 41.226 40.800 -0.054 0.000 1.192 141 D HN 0.384 8.754 8.370 -0.000 0.000 0.450 142 L N 0.643 121.811 121.223 -0.091 0.000 2.388 142 L HA 0.641 5.001 4.340 0.033 0.000 0.264 142 L C -0.391 176.413 176.870 -0.110 0.000 0.998 142 L CA -1.192 53.586 54.840 -0.104 0.000 0.817 142 L CB 2.050 44.012 42.059 -0.161 0.000 1.338 142 L HN 0.321 8.551 8.230 -0.000 0.000 0.414 143 A N 3.131 125.853 122.820 -0.164 0.000 2.267 143 A HA 0.736 5.076 4.320 0.033 0.000 0.315 143 A C -1.027 176.206 177.584 -0.585 0.000 1.297 143 A CA -0.366 51.385 52.037 -0.477 0.000 0.865 143 A CB 0.534 19.291 19.000 -0.405 0.000 1.165 143 A HN 0.490 8.640 8.150 -0.000 0.000 0.513 144 L N 3.772 124.602 121.223 -0.655 0.000 2.272 144 L HA 0.444 4.804 4.340 0.033 0.000 0.284 144 L C -0.611 175.931 176.870 -0.548 0.000 1.045 144 L CA 0.224 54.799 54.840 -0.441 0.000 0.842 144 L CB -0.130 41.764 42.059 -0.275 0.000 1.224 144 L HN 0.620 8.850 8.230 -0.000 0.000 0.430 145 F N 4.084 123.918 119.950 -0.192 0.000 2.410 145 F HA 0.362 4.908 4.527 0.032 0.000 0.334 145 F C -1.545 174.192 175.800 -0.104 0.000 1.134 145 F CA -2.125 55.786 58.000 -0.148 0.000 1.227 145 F CB -0.185 38.750 39.000 -0.108 0.000 1.194 145 F HN 0.348 8.648 8.300 -0.000 0.000 0.571 146 P HA -0.051 4.369 4.420 -0.000 0.000 0.265 146 P C -0.304 177.075 177.300 0.132 0.000 1.193 146 P CA 0.663 63.816 63.100 0.088 0.000 0.765 146 P CB 0.059 31.806 31.700 0.079 0.000 0.823 147 H N -0.597 118.415 119.070 -0.096 0.000 2.820 147 H HA -0.184 4.391 4.556 0.032 0.000 0.295 147 H C -0.135 175.097 175.328 -0.159 0.000 1.187 147 H CA 0.545 56.502 56.048 -0.150 0.000 1.144 147 H CB -0.649 29.063 29.762 -0.083 0.000 1.354 147 H HN 0.514 8.794 8.280 -0.000 0.000 0.395 148 Q N 0.251 119.985 119.800 -0.110 0.000 2.413 148 Q HA 0.418 4.778 4.340 0.033 0.000 0.276 148 Q C 0.090 175.997 176.000 -0.155 0.000 1.099 148 Q CA -0.462 55.286 55.803 -0.091 0.000 0.814 148 Q CB 2.360 31.107 28.738 0.014 0.000 1.379 148 Q HN 0.109 8.379 8.270 -0.000 0.000 0.436 149 T N 0.829 115.306 114.554 -0.127 0.000 2.829 149 T HA 0.597 4.967 4.350 0.033 0.000 0.282 149 T C -0.344 174.313 174.700 -0.072 0.000 0.990 149 T CA -0.432 61.596 62.100 -0.121 0.000 1.028 149 T CB 1.082 69.881 68.868 -0.114 0.000 0.951 149 T HN 0.226 8.466 8.240 -0.000 0.000 0.460 150 V N 2.670 122.542 119.914 -0.070 0.000 2.588 150 V HA 0.566 4.706 4.120 0.033 0.000 0.304 150 V C -0.252 175.807 176.094 -0.058 0.000 1.042 150 V CA -0.766 61.500 62.300 -0.057 0.000 0.877 150 V CB 2.236 34.019 31.823 -0.067 0.000 0.996 150 V HN 0.942 9.132 8.190 -0.000 0.000 0.425 151 S N 2.640 118.305 115.700 -0.058 0.000 2.532 151 S HA 0.800 5.290 4.470 0.033 0.000 0.301 151 S C -0.803 173.752 174.600 -0.074 0.000 1.083 151 S CA -0.570 57.596 58.200 -0.057 0.000 1.025 151 S CB 2.113 65.281 63.200 -0.054 0.000 1.056 151 S HN 0.598 8.908 8.310 -0.000 0.000 0.494 152 V N 2.395 122.264 119.914 -0.075 0.000 2.876 152 V HA 0.633 4.773 4.120 0.033 0.000 0.312 152 V C -0.881 175.160 176.094 -0.089 0.000 1.085 152 V CA -0.387 61.851 62.300 -0.104 0.000 0.945 152 V CB 2.467 34.175 31.823 -0.192 0.000 1.017 152 V HN 0.946 9.136 8.190 -0.000 0.000 0.428 153 T N 7.393 121.892 114.554 -0.093 0.000 2.767 153 T HA 0.587 4.957 4.350 0.033 0.000 0.284 153 T C -0.440 174.198 174.700 -0.104 0.000 0.973 153 T CA -0.183 61.857 62.100 -0.100 0.000 0.996 153 T CB 0.748 69.574 68.868 -0.069 0.000 0.927 153 T HN 0.479 8.719 8.240 -0.000 0.000 0.456 154 L N 3.621 124.729 121.223 -0.192 0.000 2.272 154 L HA 0.415 4.775 4.340 0.033 0.000 0.289 154 L C 1.430 178.267 176.870 -0.055 0.000 1.032 154 L CA -0.579 54.155 54.840 -0.177 0.000 0.810 154 L CB 1.174 42.960 42.059 -0.455 0.000 1.205 154 L HN 0.855 9.085 8.230 -0.000 0.000 0.422 155 T N -1.733 112.887 114.554 0.109 0.000 2.964 155 T HA 0.112 4.482 4.350 0.033 0.000 0.249 155 T C 0.604 175.454 174.700 0.250 0.000 1.000 155 T CA -0.128 62.075 62.100 0.173 0.000 0.992 155 T CB 0.236 69.160 68.868 0.093 0.000 1.087 155 T HN 0.141 8.381 8.240 -0.000 0.000 0.489 156 V N 4.954 125.013 119.914 0.241 0.000 2.425 156 V HA 0.220 4.360 4.120 0.033 0.000 0.276 156 V C -2.088 174.145 176.094 0.233 0.000 1.017 156 V CA -1.459 60.965 62.300 0.207 0.000 1.062 156 V CB -0.136 31.785 31.823 0.164 0.000 0.997 156 V HN 0.360 8.550 8.190 -0.000 0.000 0.476 157 P HA 0.148 4.568 4.420 -0.000 0.000 0.265 157 P C -2.307 174.855 177.300 -0.231 0.000 1.187 157 P CA -0.618 62.430 63.100 -0.088 0.000 0.766 157 P CB -0.128 31.534 31.700 -0.064 0.000 0.820 158 P HA 0.329 4.749 4.420 -0.000 0.000 0.278 158 P C -2.525 174.670 177.300 -0.174 0.000 1.266 158 P CA -1.937 60.907 63.100 -0.427 0.000 0.807 158 P CB -0.884 30.343 31.700 -0.788 0.000 1.094 159 P HA 0.017 4.437 4.420 -0.000 0.000 0.261 159 P C 0.098 177.388 177.300 -0.015 0.000 1.173 159 P CA 0.480 63.566 63.100 -0.023 0.000 0.760 159 P CB 0.056 31.748 31.700 -0.014 0.000 0.783 160 S N 2.634 118.297 115.700 -0.061 0.000 2.562 160 S HA 0.537 5.027 4.470 0.033 0.000 0.275 160 S C -0.309 174.212 174.600 -0.132 0.000 1.281 160 S CA -0.575 57.591 58.200 -0.057 0.000 1.045 160 S CB -0.195 62.970 63.200 -0.059 0.000 0.962 160 S HN 0.259 8.569 8.310 -0.000 0.000 0.503 161 I N 6.199 126.690 120.570 -0.132 0.000 2.503 161 I HA 0.317 4.507 4.170 0.033 0.000 0.282 161 I C -2.265 173.810 176.117 -0.069 0.000 1.059 161 I CA -2.180 59.000 61.300 -0.200 0.000 1.081 161 I CB 2.318 40.030 38.000 -0.480 0.000 1.210 161 I HN 0.500 8.710 8.210 -0.000 0.000 0.450 162 P HA 0.015 4.435 4.420 -0.000 0.000 0.266 162 P C -0.148 177.022 177.300 -0.215 0.000 1.195 162 P CA 0.637 63.555 63.100 -0.304 0.000 0.768 162 P CB 0.269 31.702 31.700 -0.445 0.000 0.838 163 H N -1.930 117.133 119.070 -0.012 0.000 3.395 163 H HA -0.182 4.394 4.556 0.033 0.000 0.222 163 H C -0.094 174.934 175.328 -0.500 0.000 1.099 163 H CA 1.253 57.166 56.048 -0.224 0.000 1.182 163 H CB -2.493 27.152 29.762 -0.195 0.000 1.188 163 H HN 0.683 8.963 8.280 -0.000 0.000 0.317 164 H N -0.196 118.838 119.070 -0.061 0.000 2.771 164 H HA 0.732 5.308 4.556 0.033 0.000 0.367 164 H C 0.515 175.913 175.328 0.116 0.000 1.172 164 H CA -0.761 55.318 56.048 0.052 0.000 1.186 164 H CB 1.297 31.156 29.762 0.162 0.000 1.790 164 H HN -0.050 8.230 8.280 -0.000 0.000 0.556 165 R N 1.983 122.648 120.500 0.275 0.000 2.451 165 R HA 0.300 4.660 4.340 0.033 0.000 0.307 165 R C -2.980 173.383 176.300 0.105 0.000 0.965 165 R CA -2.583 53.612 56.100 0.159 0.000 0.865 165 R CB 1.126 31.480 30.300 0.089 0.000 1.174 165 R HN 0.493 8.763 8.270 -0.000 0.000 0.455 166 P HA 0.158 4.578 4.420 -0.000 0.000 0.271 166 P C -0.642 176.625 177.300 -0.055 0.000 1.220 166 P CA 0.075 62.988 63.100 -0.312 0.000 0.768 166 P CB 0.805 32.217 31.700 -0.481 0.000 0.848 167 T N 3.532 118.056 114.554 -0.050 0.000 2.916 167 T HA 0.486 4.856 4.350 0.033 0.000 0.305 167 T C -0.315 174.354 174.700 -0.051 0.000 1.119 167 T CA -0.459 61.618 62.100 -0.038 0.000 1.008 167 T CB 1.032 69.897 68.868 -0.005 0.000 1.129 167 T HN 0.168 8.408 8.240 -0.000 0.000 0.480 168 I N 2.686 123.120 120.570 -0.226 0.000 2.412 168 I HA 0.583 4.773 4.170 0.033 0.000 0.296 168 I C -0.885 174.950 176.117 -0.471 0.000 0.987 168 I CA -0.600 60.565 61.300 -0.225 0.000 1.180 168 I CB 1.061 38.902 38.000 -0.266 0.000 1.340 168 I HN 0.586 8.796 8.210 -0.000 0.000 0.455 169 F N 2.047 121.902 119.950 -0.159 0.000 2.620 169 F HA 0.658 5.205 4.527 0.033 0.000 0.320 169 F C 0.887 176.626 175.800 -0.102 0.000 1.069 169 F CA -0.643 57.268 58.000 -0.148 0.000 0.953 169 F CB 1.667 40.563 39.000 -0.173 0.000 1.322 169 F HN 0.459 8.759 8.300 -0.000 0.000 0.479 170 G N 0.659 109.562 108.800 0.171 0.000 2.616 170 G HA2 0.501 4.481 3.960 0.033 0.000 0.268 170 G HA3 0.501 4.481 3.960 0.033 0.000 0.268 170 G C -0.559 174.482 174.900 0.235 0.000 1.213 170 G CA -0.655 44.560 45.100 0.191 0.000 0.926 170 G HN 0.390 8.680 8.290 -0.000 0.000 0.523 171 R N -0.764 119.806 120.500 0.118 0.000 2.720 171 R HA 0.308 4.668 4.340 0.033 0.000 0.272 171 R C 1.523 177.759 176.300 -0.107 0.000 0.991 171 R CA -0.066 56.065 56.100 0.052 0.000 1.010 171 R CB 1.593 31.901 30.300 0.013 0.000 1.141 171 R HN 0.642 8.912 8.270 -0.000 0.000 0.494 172 S N 0.157 115.787 115.700 -0.115 0.000 2.436 172 S HA -0.063 4.427 4.470 0.033 0.000 0.228 172 S C 1.792 176.281 174.600 -0.185 0.000 1.014 172 S CA 0.927 58.968 58.200 -0.265 0.000 0.950 172 S CB -0.108 63.022 63.200 -0.116 0.000 0.784 172 S HN 0.750 9.060 8.310 -0.000 0.000 0.504 173 G N 2.185 110.933 108.800 -0.087 0.000 2.404 173 G HA2 -0.015 3.966 3.960 0.033 0.000 0.215 173 G HA3 -0.015 3.966 3.960 0.033 0.000 0.215 173 G C 1.444 176.317 174.900 -0.045 0.000 1.174 173 G CA 0.816 45.888 45.100 -0.046 0.000 0.780 173 G HN 0.484 8.774 8.290 -0.000 0.000 0.537 174 L N 0.794 121.993 121.223 -0.040 0.000 2.043 174 L HA -0.160 4.200 4.340 0.033 0.000 0.212 174 L C 3.429 180.268 176.870 -0.051 0.000 1.075 174 L CA 1.150 55.975 54.840 -0.025 0.000 0.752 174 L CB -0.383 41.681 42.059 0.008 0.000 0.891 174 L HN 0.325 8.555 8.230 -0.000 0.000 0.432 175 A N -0.629 122.106 122.820 -0.140 0.000 1.908 175 A HA -0.236 4.104 4.320 0.033 0.000 0.218 175 A C 2.280 179.800 177.584 -0.106 0.000 1.181 175 A CA 1.621 53.551 52.037 -0.178 0.000 0.627 175 A CB -0.385 18.306 19.000 -0.514 0.000 0.818 175 A HN 0.296 8.446 8.150 -0.000 0.000 0.445 176 M N -0.385 119.153 119.600 -0.103 0.000 2.213 176 M HA -0.151 4.349 4.480 0.033 0.000 0.263 176 M C 1.886 178.173 176.300 -0.023 0.000 1.062 176 M CA 1.332 56.599 55.300 -0.056 0.000 1.105 176 M CB -1.266 31.308 32.600 -0.045 0.000 1.385 176 M HN 0.545 8.835 8.290 -0.000 0.000 0.417 177 Q N -0.772 119.019 119.800 -0.015 0.000 2.444 177 Q HA 0.162 4.522 4.340 0.033 0.000 0.206 177 Q C 1.108 177.124 176.000 0.027 0.000 0.948 177 Q CA 0.538 56.345 55.803 0.006 0.000 0.946 177 Q CB 0.145 28.886 28.738 0.006 0.000 1.027 177 Q HN 0.736 9.006 8.270 -0.000 0.000 0.513 178 G N 0.560 109.383 108.800 0.038 0.000 2.179 178 G HA2 -0.175 3.805 3.960 0.033 0.000 0.220 178 G HA3 -0.175 3.805 3.960 0.033 0.000 0.220 178 G C -0.040 174.958 174.900 0.164 0.000 0.990 178 G CA -0.514 44.648 45.100 0.103 0.000 0.646 178 G HN 0.221 8.511 8.290 -0.000 0.000 0.517 179 I N 2.101 122.728 120.570 0.095 0.000 2.307 179 I HA 0.482 4.672 4.170 0.033 0.000 0.289 179 I C 0.579 176.768 176.117 0.120 0.000 1.021 179 I CA -0.779 60.581 61.300 0.099 0.000 1.224 179 I CB 0.784 38.811 38.000 0.044 0.000 1.376 179 I HN 0.026 8.236 8.210 -0.000 0.000 0.470 180 L N 6.264 127.610 121.223 0.204 0.000 2.331 180 L HA 0.626 4.987 4.340 0.033 0.000 0.275 180 L C -0.170 176.789 176.870 0.148 0.000 1.022 180 L CA -1.046 53.915 54.840 0.202 0.000 0.812 180 L CB 2.252 44.478 42.059 0.279 0.000 1.257 180 L HN 0.153 8.383 8.230 -0.000 0.000 0.435 181 V N 2.121 122.110 119.914 0.124 0.000 2.472 181 V HA 0.242 4.382 4.120 0.033 0.000 0.290 181 V C 0.169 176.273 176.094 0.016 0.000 1.037 181 V CA -0.769 61.562 62.300 0.052 0.000 0.908 181 V CB 1.753 33.581 31.823 0.010 0.000 0.985 181 V HN 0.645 8.835 8.190 -0.000 0.000 0.454 182 K N 6.154 126.540 120.400 -0.024 0.000 2.276 182 K HA 0.367 4.707 4.320 0.033 0.000 0.285 182 K C -2.521 173.982 176.600 -0.161 0.000 1.062 182 K CA -1.467 54.783 56.287 -0.062 0.000 0.918 182 K CB 1.044 33.516 32.500 -0.046 0.000 1.055 182 K HN 0.373 8.623 8.250 -0.000 0.000 0.477 183 P HA 0.067 4.487 4.420 -0.000 0.000 0.271 183 P C -1.040 176.008 177.300 -0.419 0.000 1.216 183 P CA -0.585 62.221 63.100 -0.490 0.000 0.776 183 P CB 0.475 31.758 31.700 -0.695 0.000 0.881 184 C N 0.631 119.656 119.300 -0.459 0.000 3.239 184 C HA 0.540 5.020 4.460 0.033 0.000 0.329 184 C C -0.315 174.521 174.990 -0.256 0.000 1.252 184 C CA -1.315 57.524 59.018 -0.297 0.000 1.323 184 C CB 1.496 29.108 27.740 -0.213 0.000 1.663 184 C HN 0.490 8.720 8.230 -0.000 0.000 0.487 185 R N 0.824 121.231 120.500 -0.155 0.000 2.590 185 R HA 0.155 4.515 4.340 0.033 0.000 0.274 185 R C -0.662 175.655 176.300 0.029 0.000 1.061 185 R CA 0.007 56.073 56.100 -0.057 0.000 1.081 185 R CB 0.553 30.836 30.300 -0.029 0.000 0.984 185 R HN 0.801 9.071 8.270 -0.000 0.000 0.448 186 W N 5.596 126.824 121.300 -0.121 0.000 2.292 186 W HA 0.216 4.897 4.660 0.035 0.000 0.352 186 W C -0.486 175.997 176.519 -0.060 0.000 0.962 186 W CA -1.035 56.254 57.345 -0.094 0.000 1.496 186 W CB -0.035 29.358 29.460 -0.111 0.000 1.381 186 W HN 0.510 8.690 8.180 -0.000 0.000 0.363 187 R N 3.753 124.443 120.500 0.317 0.000 2.543 187 R HA 0.228 4.588 4.340 0.033 0.000 0.268 187 R C 1.830 178.245 176.300 0.192 0.000 1.067 187 R CA -0.774 55.429 56.100 0.171 0.000 1.142 187 R CB 1.019 31.371 30.300 0.086 0.000 1.110 187 R HN 0.269 8.539 8.270 -0.000 0.000 0.549 188 R N 1.099 121.656 120.500 0.095 0.000 2.189 188 R HA -0.223 4.137 4.340 0.033 0.000 0.252 188 R C 1.834 178.196 176.300 0.103 0.000 1.134 188 R CA 2.215 58.358 56.100 0.072 0.000 0.954 188 R CB -1.753 28.568 30.300 0.036 0.000 0.890 188 R HN 0.888 9.158 8.270 -0.000 0.000 0.443 189 G N 0.526 109.382 108.800 0.094 0.000 2.448 189 G HA2 0.179 4.159 3.960 0.033 0.000 0.219 189 G HA3 0.179 4.159 3.960 0.033 0.000 0.219 189 G C 0.694 175.674 174.900 0.133 0.000 1.127 189 G CA 1.062 46.215 45.100 0.090 0.000 0.766 189 G HN 0.852 9.142 8.290 -0.000 0.000 0.552 190 G N -2.534 106.390 108.800 0.206 0.000 2.355 190 G HA2 0.340 4.320 3.960 0.033 0.000 0.619 190 G HA3 0.340 4.320 3.960 0.033 0.000 0.619 190 G C -1.523 173.361 174.900 -0.027 0.000 1.337 190 G CA -0.164 45.056 45.100 0.199 0.000 0.993 190 G HN 1.081 9.371 8.290 -0.000 0.000 0.599 191 V N 0.315 120.050 119.914 -0.298 0.000 2.709 191 V HA 0.651 4.791 4.120 0.033 0.000 0.308 191 V C -1.263 174.667 176.094 -0.274 0.000 1.062 191 V CA -0.927 61.170 62.300 -0.339 0.000 0.901 191 V CB 1.990 33.465 31.823 -0.581 0.000 1.003 191 V HN 0.759 8.949 8.190 -0.000 0.000 0.425 192 D N 5.659 125.954 120.400 -0.174 0.000 2.339 192 D HA 0.302 4.962 4.640 0.033 0.000 0.241 192 D C -0.179 176.041 176.300 -0.133 0.000 1.183 192 D CA 0.167 54.087 54.000 -0.133 0.000 0.859 192 D CB 1.669 42.415 40.800 -0.090 0.000 1.067 192 D HN 0.329 8.699 8.370 -0.000 0.000 0.484 193 V N 2.301 122.149 119.914 -0.111 0.000 2.406 193 V HA 0.197 4.337 4.120 0.033 0.000 0.272 193 V C 0.549 176.635 176.094 -0.013 0.000 1.043 193 V CA -0.374 61.888 62.300 -0.064 0.000 0.915 193 V CB 1.271 33.109 31.823 0.026 0.000 0.988 193 V HN 0.385 8.575 8.190 -0.000 0.000 0.466 194 S N 5.933 121.614 115.700 -0.032 0.000 2.437 194 S HA 0.738 5.228 4.470 0.033 0.000 0.305 194 S C -0.568 174.032 174.600 -0.001 0.000 1.109 194 S CA -0.466 57.720 58.200 -0.025 0.000 1.099 194 S CB 1.116 64.290 63.200 -0.042 0.000 1.004 194 S HN 0.442 8.752 8.310 -0.000 0.000 0.475 195 L N 3.020 124.243 121.223 -0.000 0.000 2.341 195 L HA 0.541 4.901 4.340 0.033 0.000 0.278 195 L C 0.212 177.049 176.870 -0.054 0.000 1.005 195 L CA -0.114 54.731 54.840 0.008 0.000 0.818 195 L CB 1.869 43.944 42.059 0.026 0.000 1.259 195 L HN 0.532 8.762 8.230 -0.000 0.000 0.418 196 T N 1.473 115.986 114.554 -0.068 0.000 2.829 196 T HA 0.351 4.721 4.350 0.033 0.000 0.280 196 T C -0.422 174.120 174.700 -0.263 0.000 0.999 196 T CA -0.577 61.369 62.100 -0.257 0.000 0.983 196 T CB 1.261 69.857 68.868 -0.454 0.000 0.968 196 T HN 0.363 8.603 8.240 -0.000 0.000 0.446 197 N N 1.898 120.412 118.700 -0.310 0.000 2.485 197 N HA 0.273 5.033 4.740 0.033 0.000 0.243 197 N C -0.411 174.942 175.510 -0.261 0.000 0.987 197 N CA -0.944 52.001 53.050 -0.175 0.000 0.940 197 N CB 0.050 38.463 38.487 -0.123 0.000 1.122 197 N HN 0.477 8.857 8.380 -0.000 0.000 0.509 198 F N 0.546 120.456 119.950 -0.067 0.000 2.765 198 F HA 0.137 4.678 4.527 0.024 0.000 0.302 198 F C 1.638 177.492 175.800 0.091 0.000 1.111 198 F CA -0.314 57.633 58.000 -0.089 0.000 1.359 198 F CB -0.026 38.912 39.000 -0.102 0.000 1.097 198 F HN 0.338 8.638 8.300 -0.000 0.000 0.577 199 S N -0.409 115.410 115.700 0.198 0.000 2.686 199 S HA 0.117 4.607 4.470 0.033 0.000 0.270 199 S C 0.780 175.455 174.600 0.126 0.000 1.194 199 S CA -0.296 57.990 58.200 0.143 0.000 0.990 199 S CB 0.955 64.200 63.200 0.076 0.000 1.029 199 S HN 0.252 8.562 8.310 -0.000 0.000 0.560 200 D N -1.280 119.164 120.400 0.073 0.000 2.339 200 D HA 0.153 4.813 4.640 0.033 0.000 0.217 200 D C 0.285 176.602 176.300 0.028 0.000 1.050 200 D CA 0.218 54.242 54.000 0.040 0.000 0.856 200 D CB -0.181 40.632 40.800 0.021 0.000 0.922 200 D HN 0.554 8.924 8.370 -0.000 0.000 0.518 201 Q N -0.402 119.408 119.800 0.017 0.000 2.394 201 Q HA 0.392 4.752 4.340 0.033 0.000 0.273 201 Q C -0.944 175.009 176.000 -0.079 0.000 1.089 201 Q CA -0.737 55.061 55.803 -0.008 0.000 0.812 201 Q CB 1.905 30.645 28.738 0.003 0.000 1.353 201 Q HN -0.078 8.192 8.270 -0.000 0.000 0.438 202 T N 1.491 115.961 114.554 -0.140 0.000 2.867 202 T HA 0.182 4.552 4.350 0.033 0.000 0.297 202 T C -0.566 173.848 174.700 -0.477 0.000 0.989 202 T CA -0.021 61.828 62.100 -0.419 0.000 1.159 202 T CB 0.177 68.697 68.868 -0.580 0.000 0.928 202 T HN 0.259 8.499 8.240 -0.000 0.000 0.538 203 V N 4.940 124.524 119.914 -0.551 0.000 2.417 203 V HA 0.451 4.591 4.120 0.033 0.000 0.291 203 V C -0.535 175.236 176.094 -0.540 0.000 1.024 203 V CA -0.847 61.228 62.300 -0.375 0.000 0.861 203 V CB 1.101 32.808 31.823 -0.193 0.000 0.985 203 V HN 0.756 8.946 8.190 -0.000 0.000 0.436 204 F N 5.403 125.271 119.950 -0.136 0.000 2.385 204 F HA 0.574 5.123 4.527 0.036 0.000 0.360 204 F C 0.078 175.820 175.800 -0.096 0.000 1.122 204 F CA -0.479 57.441 58.000 -0.133 0.000 1.090 204 F CB 1.107 40.039 39.000 -0.113 0.000 1.150 204 F HN 0.171 8.471 8.300 -0.000 0.000 0.472 205 L N 4.683 125.917 121.223 0.019 0.000 2.318 205 L HA 0.411 4.771 4.340 0.033 0.000 0.277 205 L C -0.410 176.442 176.870 -0.030 0.000 1.008 205 L CA -0.768 54.066 54.840 -0.010 0.000 0.846 205 L CB 0.792 42.816 42.059 -0.058 0.000 1.220 205 L HN 0.531 8.761 8.230 -0.000 0.000 0.423 206 N N 2.330 121.024 118.700 -0.010 0.000 2.445 206 N HA 0.142 4.902 4.740 0.033 0.000 0.264 206 N C -0.121 175.329 175.510 -0.100 0.000 1.227 206 N CA -0.488 52.537 53.050 -0.043 0.000 0.963 206 N CB 0.786 39.264 38.487 -0.015 0.000 1.188 206 N HN 0.397 8.777 8.380 -0.000 0.000 0.491 207 K N 0.574 120.865 120.400 -0.182 0.000 2.550 207 K HA -0.154 4.186 4.320 0.033 0.000 0.280 207 K C -0.304 176.111 176.600 -0.309 0.000 0.987 207 K CA 0.615 56.676 56.287 -0.377 0.000 1.048 207 K CB -0.043 32.120 32.500 -0.560 0.000 0.879 207 K HN 0.660 8.910 8.250 -0.000 0.000 0.491 208 Y N -0.977 119.322 120.300 -0.001 0.000 4.766 208 Y HA -0.322 4.248 4.550 0.034 0.000 0.289 208 Y C 0.410 176.338 175.900 0.046 0.000 0.965 208 Y CA 0.450 58.567 58.100 0.027 0.000 1.738 208 Y CB -1.170 37.303 38.460 0.023 0.000 1.062 208 Y HN 0.609 8.889 8.280 -0.000 0.000 0.440 209 R N 2.624 123.205 120.500 0.135 0.000 2.585 209 R HA 0.151 4.511 4.340 0.033 0.000 0.275 209 R C 0.231 176.646 176.300 0.192 0.000 1.018 209 R CA -0.086 56.090 56.100 0.127 0.000 1.072 209 R CB 0.277 30.624 30.300 0.079 0.000 0.953 209 R HN 0.179 8.449 8.270 -0.000 0.000 0.419 210 R N 3.361 123.962 120.500 0.169 0.000 2.404 210 R HA -0.033 4.327 4.340 0.033 0.000 0.315 210 R C 0.754 177.185 176.300 0.218 0.000 1.032 210 R CA 0.304 56.509 56.100 0.174 0.000 0.992 210 R CB 0.128 30.478 30.300 0.084 0.000 0.959 210 R HN 0.646 8.916 8.270 -0.000 0.000 0.428 211 F N 0.764 120.720 119.950 0.011 0.000 2.746 211 F HA 0.306 4.853 4.527 0.032 0.000 0.313 211 F C 0.276 176.079 175.800 0.004 0.000 1.095 211 F CA -0.789 57.210 58.000 -0.001 0.000 1.224 211 F CB 0.486 39.474 39.000 -0.020 0.000 1.060 211 F HN 0.439 8.739 8.300 -0.000 0.000 0.584 212 C N 0.465 119.462 119.300 -0.506 0.000 3.284 212 C HA 0.698 5.178 4.460 0.033 0.000 0.348 212 C C -1.589 173.242 174.990 -0.265 0.000 1.448 212 C CA -0.837 57.914 59.018 -0.446 0.000 1.223 212 C CB 1.232 28.541 27.740 -0.719 0.000 1.588 212 C HN 0.695 8.925 8.230 -0.000 0.000 0.451 213 Q N 1.045 120.763 119.800 -0.137 0.000 2.397 213 Q HA 0.772 5.132 4.340 0.033 0.000 0.275 213 Q C -1.657 174.347 176.000 0.006 0.000 1.090 213 Q CA -0.734 55.043 55.803 -0.043 0.000 0.809 213 Q CB 2.130 30.871 28.738 0.005 0.000 1.362 213 Q HN 0.944 9.214 8.270 -0.000 0.000 0.431 214 L N 2.264 123.507 121.223 0.033 0.000 2.264 214 L HA 0.590 4.950 4.340 0.033 0.000 0.289 214 L C -1.523 175.356 176.870 0.016 0.000 1.044 214 L CA -0.365 54.497 54.840 0.037 0.000 0.807 214 L CB 1.625 43.715 42.059 0.051 0.000 1.192 214 L HN 0.629 8.859 8.230 -0.000 0.000 0.425 215 V N 5.875 125.796 119.914 0.013 0.000 2.604 215 V HA 0.362 4.502 4.120 0.033 0.000 0.305 215 V C -1.029 175.055 176.094 -0.017 0.000 1.043 215 V CA -0.496 61.837 62.300 0.055 0.000 0.888 215 V CB 1.645 33.500 31.823 0.054 0.000 0.995 215 V HN 0.562 8.752 8.190 -0.000 0.000 0.429 216 Y N 4.822 125.243 120.300 0.201 0.000 2.595 216 Y HA 0.496 5.066 4.550 0.035 0.000 0.336 216 Y C 0.322 176.455 175.900 0.388 0.000 0.996 216 Y CA -0.354 57.890 58.100 0.240 0.000 1.260 216 Y CB 0.765 39.324 38.460 0.165 0.000 1.108 216 Y HN 0.428 8.709 8.280 -0.000 0.000 0.509 217 L N 3.599 125.075 121.223 0.422 0.000 2.397 217 L HA 0.155 4.516 4.340 0.033 0.000 0.271 217 L C 0.889 178.044 176.870 0.476 0.000 1.148 217 L CA -0.556 54.554 54.840 0.450 0.000 0.825 217 L CB 0.399 42.624 42.059 0.277 0.000 1.117 217 L HN 0.570 8.800 8.230 -0.000 0.000 0.456 218 H N 3.701 123.002 119.070 0.385 0.000 3.001 218 H HA -0.066 4.510 4.556 0.033 0.000 0.334 218 H C 0.754 176.087 175.328 0.008 0.000 1.034 218 H CA 0.528 56.521 56.048 -0.092 0.000 1.420 218 H CB 1.016 30.728 29.762 -0.085 0.000 1.405 218 H HN 0.654 8.934 8.280 -0.000 0.000 0.593 219 K N 3.462 123.592 120.400 -0.450 0.000 2.211 219 K HA -0.250 4.090 4.320 0.033 0.000 0.204 219 K C 1.707 178.320 176.600 0.022 0.000 1.047 219 K CA 1.779 57.980 56.287 -0.143 0.000 0.935 219 K CB -0.303 32.090 32.500 -0.179 0.000 0.728 219 K HN 0.667 8.917 8.250 -0.000 0.000 0.452 220 H N 0.956 120.070 119.070 0.072 0.000 2.460 220 H HA -0.139 4.438 4.556 0.035 0.000 0.297 220 H C 1.181 176.391 175.328 -0.196 0.000 1.103 220 H CA 1.887 57.879 56.048 -0.092 0.000 1.292 220 H CB -0.033 29.585 29.762 -0.240 0.000 1.376 220 H HN 0.392 8.672 8.280 -0.000 0.000 0.531 221 H N -0.684 118.463 119.070 0.128 0.000 2.547 221 H HA 0.187 4.763 4.556 0.033 0.000 0.266 221 H C 0.034 175.387 175.328 0.041 0.000 0.988 221 H CA 0.275 56.358 56.048 0.060 0.000 1.147 221 H CB 0.127 30.075 29.762 0.309 0.000 1.365 221 H HN 0.290 8.570 8.280 -0.000 0.000 0.589 222 L N 0.552 121.815 121.223 0.067 0.000 2.325 222 L HA 0.379 4.739 4.340 0.033 0.000 0.281 222 L C 0.270 177.107 176.870 -0.056 0.000 1.004 222 L CA -0.305 54.548 54.840 0.022 0.000 0.823 222 L CB 2.387 44.467 42.059 0.036 0.000 1.236 222 L HN -0.085 8.145 8.230 -0.000 0.000 0.415 223 T N -0.604 113.895 114.554 -0.092 0.000 2.841 223 T HA 0.357 4.727 4.350 0.033 0.000 0.296 223 T C 0.528 175.125 174.700 -0.172 0.000 1.166 223 T CA -0.107 61.934 62.100 -0.099 0.000 1.007 223 T CB 1.765 70.577 68.868 -0.094 0.000 1.253 223 T HN 0.589 8.829 8.240 -0.000 0.000 0.511 224 S N 0.513 116.062 115.700 -0.251 0.000 2.524 224 S HA 0.357 4.847 4.470 0.033 0.000 0.215 224 S C 0.108 174.393 174.600 -0.526 0.000 0.986 224 S CA -0.356 57.587 58.200 -0.428 0.000 0.911 224 S CB -0.247 62.654 63.200 -0.499 0.000 0.805 224 S HN 0.500 8.810 8.310 -0.000 0.000 0.501 225 F N 1.879 121.747 119.950 -0.138 0.000 2.396 225 F HA 0.442 4.989 4.527 0.034 0.000 0.343 225 F C 0.015 175.733 175.800 -0.137 0.000 1.104 225 F CA -1.251 56.706 58.000 -0.071 0.000 1.161 225 F CB 0.308 39.280 39.000 -0.046 0.000 1.146 225 F HN 0.036 8.336 8.300 -0.000 0.000 0.522 226 Y N 1.873 122.248 120.300 0.125 0.000 2.393 226 Y HA 0.363 4.932 4.550 0.032 0.000 0.338 226 Y C 0.543 176.483 175.900 0.067 0.000 1.029 226 Y CA 0.248 58.389 58.100 0.068 0.000 1.239 226 Y CB 0.762 39.255 38.460 0.056 0.000 1.170 226 Y HN 0.546 8.826 8.280 -0.000 0.000 0.515 227 S N 3.676 119.449 115.700 0.121 0.000 2.704 227 S HA 0.349 4.839 4.470 0.033 0.000 0.296 227 S C -1.872 172.752 174.600 0.039 0.000 1.138 227 S CA -1.248 56.984 58.200 0.054 0.000 0.875 227 S CB 1.715 64.898 63.200 -0.029 0.000 1.151 227 S HN 0.365 8.675 8.310 -0.000 0.000 0.500 228 P HA -0.001 4.419 4.420 -0.000 0.000 0.220 228 P C 0.316 177.574 177.300 -0.070 0.000 1.148 228 P CA 1.262 64.377 63.100 0.025 0.000 0.803 228 P CB 0.062 31.773 31.700 0.019 0.000 0.782 229 H N -1.571 117.346 119.070 -0.255 0.000 2.526 229 H HA 0.224 4.800 4.556 0.034 0.000 0.274 229 H C 0.443 174.777 175.328 -1.657 0.000 0.999 229 H CA 0.009 55.557 56.048 -0.834 0.000 1.157 229 H CB 0.177 29.611 29.762 -0.547 0.000 1.407 229 H HN 0.124 8.404 8.280 -0.000 0.000 0.568 230 S N -0.974 114.209 115.700 -0.862 0.000 2.632 230 S HA 0.550 5.041 4.470 0.033 0.000 0.289 230 S C -1.308 173.276 174.600 -0.027 0.000 1.115 230 S CA -1.021 56.800 58.200 -0.632 0.000 0.889 230 S CB 3.307 66.279 63.200 -0.379 0.000 1.116 230 S HN 0.114 8.424 8.310 -0.000 0.000 0.486 231 D N -0.650 119.851 120.400 0.169 0.000 2.977 231 D HA 0.615 5.275 4.640 0.033 0.000 0.220 231 D C 0.338 176.756 176.300 0.195 0.000 1.267 231 D CA -0.192 54.019 54.000 0.353 0.000 0.884 231 D CB 1.955 43.157 40.800 0.669 0.000 1.667 231 D HN 0.682 9.052 8.370 -0.000 0.000 0.536 232 A N 2.088 125.036 122.820 0.214 0.000 2.239 232 A HA 0.207 4.547 4.320 0.033 0.000 0.209 232 A C 1.753 179.418 177.584 0.135 0.000 1.171 232 A CA 1.115 53.244 52.037 0.153 0.000 0.768 232 A CB -0.384 18.794 19.000 0.296 0.000 0.790 232 A HN 0.532 8.682 8.150 -0.000 0.000 0.478 233 G N -1.418 107.504 108.800 0.202 0.000 2.848 233 G HA2 0.223 4.203 3.960 0.033 0.000 0.208 233 G HA3 0.223 4.203 3.960 0.033 0.000 0.208 233 G C 0.938 175.827 174.900 -0.018 0.000 1.152 233 G CA 1.003 46.224 45.100 0.202 0.000 0.789 233 G HN 0.293 8.583 8.290 -0.000 0.000 0.531 234 V N -0.542 119.258 119.914 -0.190 0.000 2.840 234 V HA 0.265 4.405 4.120 0.033 0.000 0.234 234 V C 2.020 177.985 176.094 -0.215 0.000 1.159 234 V CA 0.563 62.654 62.300 -0.348 0.000 1.194 234 V CB 0.022 31.482 31.823 -0.606 0.000 0.971 234 V HN 0.241 8.431 8.190 -0.000 0.000 0.494 235 L N -0.202 120.916 121.223 -0.175 0.000 2.766 235 L HA 0.609 4.969 4.340 0.033 0.000 0.242 235 L C 0.977 177.778 176.870 -0.116 0.000 1.136 235 L CA 0.649 55.378 54.840 -0.185 0.000 0.933 235 L CB 0.545 42.498 42.059 -0.178 0.000 1.241 235 L HN 0.558 8.788 8.230 -0.000 0.000 0.522 236 G N 1.236 109.996 108.800 -0.068 0.000 2.660 236 G HA2 -0.204 3.776 3.960 0.033 0.000 0.215 236 G HA3 -0.204 3.776 3.960 0.033 0.000 0.215 236 G C -2.303 172.588 174.900 -0.015 0.000 1.345 236 G CA -0.148 44.937 45.100 -0.025 0.000 0.877 236 G HN 0.011 8.301 8.290 -0.000 0.000 0.549 237 P HA 0.081 4.501 4.420 -0.000 0.000 0.230 237 P C 1.468 178.764 177.300 -0.005 0.000 1.168 237 P CA 0.793 63.919 63.100 0.043 0.000 0.793 237 P CB 0.144 31.884 31.700 0.068 0.000 0.851 238 R N 0.567 121.048 120.500 -0.031 0.000 2.193 238 R HA 0.096 4.456 4.340 0.033 0.000 0.213 238 R C 0.635 176.887 176.300 -0.079 0.000 1.055 238 R CA 0.830 56.900 56.100 -0.050 0.000 0.995 238 R CB -0.086 30.189 30.300 -0.043 0.000 0.893 238 R HN 0.256 8.526 8.270 -0.000 0.000 0.459 239 S N -0.220 115.428 115.700 -0.087 0.000 2.720 239 S HA 0.393 4.883 4.470 0.033 0.000 0.278 239 S C -0.550 173.990 174.600 -0.099 0.000 1.172 239 S CA -1.077 57.067 58.200 -0.094 0.000 1.019 239 S CB 1.022 64.183 63.200 -0.065 0.000 1.049 239 S HN -0.012 8.298 8.310 -0.000 0.000 0.483 240 L N 3.209 124.343 121.223 -0.149 0.000 2.375 240 L HA 0.541 4.901 4.340 0.033 0.000 0.271 240 L C 0.014 176.865 176.870 -0.031 0.000 1.107 240 L CA -0.910 53.838 54.840 -0.154 0.000 0.806 240 L CB 0.492 42.342 42.059 -0.349 0.000 1.146 240 L HN 0.736 8.966 8.230 -0.000 0.000 0.447 241 F N 3.509 123.374 119.950 -0.141 0.000 2.472 241 F HA 0.260 4.806 4.527 0.031 0.000 0.364 241 F C 0.418 176.176 175.800 -0.069 0.000 1.090 241 F CA -0.494 57.455 58.000 -0.086 0.000 1.188 241 F CB 0.359 39.274 39.000 -0.142 0.000 1.105 241 F HN 0.381 8.681 8.300 -0.000 0.000 0.536 242 R N 7.928 128.112 120.500 -0.527 0.000 2.239 242 R HA 0.314 4.674 4.340 0.033 0.000 0.332 242 R C -1.144 174.704 176.300 -0.753 0.000 0.988 242 R CA -0.757 54.903 56.100 -0.734 0.000 0.859 242 R CB 0.373 30.359 30.300 -0.525 0.000 1.148 242 R HN 0.767 9.037 8.270 -0.000 0.000 0.482 243 W N 3.493 124.403 121.300 -0.651 0.000 2.129 243 W HA 0.552 5.230 4.660 0.030 0.000 0.349 243 W C -0.241 176.391 176.519 0.189 0.000 1.279 243 W CA -0.862 56.297 57.345 -0.310 0.000 1.306 243 W CB 0.292 29.719 29.460 -0.054 0.000 1.140 243 W HN 0.545 8.725 8.180 -0.000 0.000 0.613 244 A N 1.509 124.656 122.820 0.545 0.000 2.425 244 A HA 0.298 4.638 4.320 0.033 0.000 0.242 244 A C 0.291 178.134 177.584 0.432 0.000 1.077 244 A CA -0.407 51.947 52.037 0.528 0.000 0.781 244 A CB -0.125 19.202 19.000 0.545 0.000 1.020 244 A HN 0.627 8.777 8.150 -0.000 0.000 0.494 245 S N 1.104 116.970 115.700 0.276 0.000 3.900 245 S HA 0.258 4.748 4.470 0.033 0.000 0.248 245 S C -0.101 174.611 174.600 0.187 0.000 1.310 245 S CA -0.379 57.976 58.200 0.258 0.000 0.915 245 S CB -1.057 62.194 63.200 0.086 0.000 1.588 245 S HN 0.624 8.934 8.310 -0.000 0.000 0.472 246 C N 1.471 120.872 119.300 0.167 0.000 2.423 246 C HA 0.703 5.183 4.460 0.033 0.000 0.378 246 C C 0.965 175.946 174.990 -0.015 0.000 1.244 246 C CA -0.773 58.248 59.018 0.005 0.000 1.978 246 C CB 1.404 29.051 27.740 -0.156 0.000 2.252 246 C HN 0.480 8.710 8.230 -0.000 0.000 0.526 247 T N 1.060 115.539 114.554 -0.125 0.000 2.797 247 T HA 0.490 4.860 4.350 0.033 0.000 0.279 247 T C -0.781 173.770 174.700 -0.248 0.000 0.991 247 T CA 0.055 62.061 62.100 -0.157 0.000 0.979 247 T CB 0.388 69.082 68.868 -0.290 0.000 0.943 247 T HN 0.342 8.582 8.240 -0.000 0.000 0.444 248 F N 2.443 122.348 119.950 -0.075 0.000 2.396 248 F HA 0.372 4.920 4.527 0.034 0.000 0.343 248 F C 0.971 176.822 175.800 0.085 0.000 1.104 248 F CA -0.349 57.663 58.000 0.020 0.000 1.161 248 F CB 0.871 39.837 39.000 -0.056 0.000 1.146 248 F HN 0.449 8.749 8.300 -0.000 0.000 0.522 249 E N 3.736 124.147 120.200 0.352 0.000 2.244 249 E HA 0.118 4.488 4.350 0.033 0.000 0.260 249 E C -1.190 175.500 176.600 0.149 0.000 0.884 249 E CA -0.631 55.908 56.400 0.231 0.000 0.777 249 E CB 1.178 30.980 29.700 0.170 0.000 1.197 249 E HN 0.666 9.026 8.360 -0.000 0.000 0.416 250 E N 3.654 123.832 120.200 -0.037 0.000 2.265 250 E HA 0.172 4.542 4.350 0.033 0.000 0.272 250 E C -1.018 175.456 176.600 -0.211 0.000 1.067 250 E CA -0.185 55.962 56.400 -0.421 0.000 0.900 250 E CB 0.920 30.394 29.700 -0.378 0.000 1.017 250 E HN 0.247 8.607 8.360 -0.000 0.000 0.431 251 V N 7.989 127.775 119.914 -0.213 0.000 2.315 251 V HA 0.148 4.288 4.120 0.033 0.000 0.265 251 V C -1.925 174.102 176.094 -0.112 0.000 1.019 251 V CA -1.185 61.055 62.300 -0.100 0.000 0.824 251 V CB 1.078 32.880 31.823 -0.036 0.000 1.072 251 V HN 0.657 8.847 8.190 -0.000 0.000 0.448 252 P HA -0.170 4.250 4.420 -0.000 0.000 0.218 252 P C 1.881 179.114 177.300 -0.112 0.000 1.146 252 P CA 1.723 64.757 63.100 -0.110 0.000 0.813 252 P CB 0.229 31.877 31.700 -0.088 0.000 0.778 253 S N -0.972 114.670 115.700 -0.097 0.000 2.469 253 S HA -0.103 4.387 4.470 0.033 0.000 0.238 253 S C 1.822 176.341 174.600 -0.134 0.000 0.998 253 S CA 0.750 58.888 58.200 -0.104 0.000 0.957 253 S CB -1.548 61.608 63.200 -0.074 0.000 0.764 253 S HN 0.108 8.418 8.310 -0.000 0.000 0.514 254 L N 1.088 122.236 121.223 -0.125 0.000 2.187 254 L HA 0.016 4.376 4.340 0.033 0.000 0.213 254 L C 1.675 178.305 176.870 -0.399 0.000 1.100 254 L CA 0.659 55.410 54.840 -0.147 0.000 0.765 254 L CB -1.158 40.889 42.059 -0.020 0.000 0.904 254 L HN 0.428 8.658 8.230 -0.000 0.000 0.437 255 A N 0.190 122.737 122.820 -0.455 0.000 2.454 255 A HA 0.407 4.747 4.320 0.033 0.000 0.260 255 A C -0.089 177.117 177.584 -0.631 0.000 1.106 255 A CA 0.021 51.577 52.037 -0.802 0.000 0.780 255 A CB 0.370 19.154 19.000 -0.361 0.000 1.044 255 A HN 0.152 8.302 8.150 -0.000 0.000 0.498 256 M N 0.000 119.121 119.600 -0.798 0.000 2.572 256 M HA 0.000 4.500 4.480 0.033 0.000 0.227 256 M CA 0.000 55.121 55.300 -0.299 0.000 0.988 256 M CB 0.000 32.490 32.600 -0.183 0.000 1.302 256 M HN 0.000 8.290 8.290 -0.000 0.000 0.411