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 3ca4_1_A DATA FIRST_RESID 1 DATA SEQUENCE TSFTRNIVGR DGLcVDVRNG YDTDGTPLQL WPcGTQRNQR WTFDSDDTIR DATA SEQUENCE SMGKcMTANG LNNGSNIVIF NcSTAAENAI KWEVPIDGSI INPSSGLVMT DATA SEQUENCE APRAASRTIL LLEDNIYAAS QGWTVTNNVK PIVASIVGYK EMcLQSNGEN DATA SEQUENCE NGVWMEDcEA TSLQQQWALY GDRTIRVNST RGLcVTTNGY NSKDLIIILK DATA SEQUENCE cQGLPSQRWF FNSDGAIVNP KSRLVMDVRA SNVSLREIII FPATGNPNQQ DATA SEQUENCE WVTQVLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1 T C 0.000 174.809 174.700 0.181 0.000 1.109 1 T CA 0.000 62.178 62.100 0.130 0.000 1.349 1 T CB 0.000 68.948 68.868 0.133 0.000 0.612 2 S N 1.219 117.033 115.700 0.190 0.000 2.569 2 S HA 1.017 5.483 4.470 -0.007 0.000 0.280 2 S C -0.753 174.025 174.600 0.296 0.000 1.111 2 S CA -0.734 57.581 58.200 0.191 0.000 0.887 2 S CB 1.539 64.787 63.200 0.079 0.000 1.095 2 S HN 1.938 10.248 8.310 -0.000 0.000 0.476 3 F N -1.545 118.495 119.950 0.151 0.000 2.645 3 F HA 0.856 5.379 4.527 -0.006 0.000 0.310 3 F C -1.035 174.892 175.800 0.211 0.000 1.102 3 F CA -0.826 57.255 58.000 0.136 0.000 0.952 3 F CB 1.397 40.455 39.000 0.097 0.000 1.326 3 F HN 0.552 8.852 8.300 -0.000 0.000 0.456 4 T N 2.665 117.368 114.554 0.248 0.000 2.861 4 T HA 0.747 5.093 4.350 -0.007 0.000 0.287 4 T C -0.786 174.071 174.700 0.262 0.000 1.003 4 T CA -0.885 61.322 62.100 0.179 0.000 0.977 4 T CB 1.710 70.638 68.868 0.100 0.000 0.996 4 T HN 0.582 8.822 8.240 -0.000 0.000 0.448 5 R N 1.711 122.394 120.500 0.304 0.000 2.781 5 R HA 0.482 4.818 4.340 -0.007 0.000 0.269 5 R C -0.860 175.634 176.300 0.323 0.000 1.025 5 R CA -0.981 55.297 56.100 0.296 0.000 0.914 5 R CB 1.122 31.604 30.300 0.303 0.000 1.236 5 R HN 0.527 8.797 8.270 -0.000 0.000 0.465 6 N N 0.016 118.877 118.700 0.267 0.000 2.408 6 N HA 0.469 5.205 4.740 -0.007 0.000 0.260 6 N C -0.482 175.224 175.510 0.327 0.000 1.242 6 N CA -0.150 53.089 53.050 0.315 0.000 0.959 6 N CB 0.679 39.296 38.487 0.217 0.000 1.201 6 N HN 0.312 8.692 8.380 -0.000 0.000 0.511 7 I N 0.917 121.680 120.570 0.322 0.000 2.439 7 I HA 0.277 4.442 4.170 -0.007 0.000 0.283 7 I C -0.946 175.337 176.117 0.275 0.000 1.023 7 I CA -0.822 60.611 61.300 0.222 0.000 1.100 7 I CB 1.403 39.397 38.000 -0.011 0.000 1.238 7 I HN 0.048 8.258 8.210 -0.000 0.000 0.445 8 V N 5.498 125.575 119.914 0.272 0.000 2.481 8 V HA 0.796 4.912 4.120 -0.007 0.000 0.286 8 V C 0.632 176.894 176.094 0.280 0.000 1.042 8 V CA -0.081 62.363 62.300 0.239 0.000 0.928 8 V CB 1.210 33.109 31.823 0.126 0.000 0.986 8 V HN 0.962 9.152 8.190 -0.000 0.000 0.462 9 G N 3.315 112.212 108.800 0.162 0.000 3.187 9 G HA2 0.374 4.330 3.960 -0.007 0.000 0.175 9 G HA3 0.374 4.330 3.960 -0.007 0.000 0.175 9 G C -0.343 174.414 174.900 -0.239 0.000 1.112 9 G CA -0.982 43.918 45.100 -0.334 0.000 0.821 9 G HN 0.605 8.895 8.290 -0.000 0.000 0.636 10 R N 0.527 120.789 120.500 -0.397 0.000 2.494 10 R HA 0.124 4.460 4.340 -0.007 0.000 0.291 10 R C -0.260 176.027 176.300 -0.022 0.000 0.953 10 R CA 1.214 57.198 56.100 -0.193 0.000 1.098 10 R CB -0.154 30.041 30.300 -0.174 0.000 0.911 10 R HN 0.486 8.756 8.270 -0.000 0.000 0.407 11 D N 2.651 123.067 120.400 0.026 0.000 3.059 11 D HA -0.191 4.445 4.640 -0.007 0.000 0.220 11 D C 0.730 177.212 176.300 0.305 0.000 1.169 11 D CA 1.929 55.986 54.000 0.094 0.000 0.902 11 D CB -1.216 39.601 40.800 0.029 0.000 1.116 11 D HN 0.972 9.342 8.370 -0.000 0.000 0.417 12 G N -1.476 107.512 108.800 0.313 0.000 2.159 12 G HA2 -0.325 3.631 3.960 -0.007 0.000 0.256 12 G HA3 -0.325 3.631 3.960 -0.007 0.000 0.256 12 G C 0.381 175.331 174.900 0.082 0.000 0.977 12 G CA 0.473 45.664 45.100 0.152 0.000 0.652 12 G HN 0.523 8.813 8.290 -0.000 0.000 0.531 13 L N -0.466 120.816 121.223 0.098 0.000 2.456 13 L HA 0.564 4.900 4.340 -0.007 0.000 0.257 13 L C 1.000 177.972 176.870 0.171 0.000 1.162 13 L CA -0.878 54.022 54.840 0.100 0.000 0.808 13 L CB 1.012 43.127 42.059 0.093 0.000 1.136 13 L HN 0.216 8.446 8.230 -0.000 0.000 0.466 14 c N 0.651 119.376 118.600 0.209 0.000 2.397 14 c HA 0.438 5.004 4.570 -0.007 0.000 0.343 14 c C 0.268 174.544 174.090 0.310 0.000 1.188 14 c CA -0.769 55.720 56.329 0.267 0.000 1.992 14 c CB 1.688 44.348 42.510 0.249 0.000 2.358 14 c HN 0.425 8.655 8.230 -0.000 0.000 0.518 15 V N 3.568 123.654 119.914 0.286 0.000 2.521 15 V HA 0.219 4.335 4.120 -0.007 0.000 0.286 15 V C 0.134 176.470 176.094 0.404 0.000 1.034 15 V CA 0.861 63.272 62.300 0.185 0.000 1.045 15 V CB 0.472 32.158 31.823 -0.227 0.000 0.974 15 V HN 0.855 9.045 8.190 -0.000 0.000 0.480 16 D N 4.028 124.622 120.400 0.322 0.000 2.936 16 D HA 0.268 4.904 4.640 -0.007 0.000 0.238 16 D C -0.943 175.460 176.300 0.172 0.000 1.248 16 D CA -0.411 53.747 54.000 0.264 0.000 0.903 16 D CB 2.587 43.528 40.800 0.236 0.000 1.544 16 D HN 0.259 8.629 8.370 -0.000 0.000 0.543 17 V N 4.393 124.368 119.914 0.103 0.000 2.470 17 V HA 0.195 4.311 4.120 -0.007 0.000 0.276 17 V C 1.187 177.229 176.094 -0.087 0.000 1.040 17 V CA -0.321 62.001 62.300 0.037 0.000 1.008 17 V CB 0.652 32.464 31.823 -0.019 0.000 0.990 17 V HN 0.458 8.648 8.190 -0.000 0.000 0.477 18 R N 5.422 125.873 120.500 -0.083 0.000 2.486 18 R HA -0.026 4.310 4.340 -0.007 0.000 0.303 18 R C 0.850 176.931 176.300 -0.364 0.000 0.958 18 R CA 0.408 56.394 56.100 -0.190 0.000 1.077 18 R CB -0.175 30.065 30.300 -0.101 0.000 0.921 18 R HN 0.879 9.149 8.270 -0.000 0.000 0.406 19 N N 2.729 121.115 118.700 -0.523 0.000 2.753 19 N HA -0.213 4.523 4.740 -0.007 0.000 0.251 19 N C 0.657 175.727 175.510 -0.734 0.000 1.097 19 N CA 1.483 54.094 53.050 -0.732 0.000 0.786 19 N CB -1.300 36.597 38.487 -0.982 0.000 1.137 19 N HN 0.996 9.376 8.380 -0.000 0.000 0.566 20 G N -1.524 107.009 108.800 -0.445 0.000 2.155 20 G HA2 -0.385 3.571 3.960 -0.007 0.000 0.257 20 G HA3 -0.385 3.571 3.960 -0.007 0.000 0.257 20 G C -0.052 174.781 174.900 -0.112 0.000 0.983 20 G CA 0.667 45.612 45.100 -0.258 0.000 0.676 20 G HN 0.436 8.726 8.290 -0.000 0.000 0.528 21 Y N 1.218 121.457 120.300 -0.101 0.000 2.425 21 Y HA 0.366 4.912 4.550 -0.006 0.000 0.331 21 Y C 1.404 177.252 175.900 -0.088 0.000 1.157 21 Y CA -0.962 57.087 58.100 -0.086 0.000 1.372 21 Y CB 0.863 39.280 38.460 -0.072 0.000 1.253 21 Y HN 0.310 8.590 8.280 -0.000 0.000 0.536 22 D N -1.151 119.298 120.400 0.081 0.000 2.368 22 D HA -0.019 4.617 4.640 -0.007 0.000 0.218 22 D C 0.429 176.702 176.300 -0.045 0.000 1.112 22 D CA -0.168 53.826 54.000 -0.011 0.000 0.834 22 D CB -0.614 40.156 40.800 -0.050 0.000 0.953 22 D HN 0.416 8.786 8.370 -0.000 0.000 0.505 23 T N -0.887 113.644 114.554 -0.038 0.000 2.901 23 T HA 0.097 4.443 4.350 -0.007 0.000 0.301 23 T C 0.158 174.789 174.700 -0.114 0.000 1.012 23 T CA -0.664 61.377 62.100 -0.100 0.000 1.135 23 T CB 0.655 69.453 68.868 -0.116 0.000 0.936 23 T HN -0.158 8.082 8.240 -0.000 0.000 0.539 24 D N 2.502 122.756 120.400 -0.243 0.000 2.583 24 D HA 0.303 4.939 4.640 -0.007 0.000 0.232 24 D C 1.545 177.787 176.300 -0.096 0.000 1.128 24 D CA 1.966 55.711 54.000 -0.424 0.000 0.859 24 D CB 0.187 40.413 40.800 -0.957 0.000 1.169 24 D HN 1.087 9.457 8.370 -0.000 0.000 0.481 25 G N 1.883 110.766 108.800 0.139 0.000 2.194 25 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.236 25 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.236 25 G C 0.577 175.558 174.900 0.134 0.000 0.987 25 G CA 0.218 45.451 45.100 0.221 0.000 0.635 25 G HN 0.598 8.888 8.290 -0.000 0.000 0.520 26 T N 4.074 118.687 114.554 0.098 0.000 2.853 26 T HA 0.453 4.798 4.350 -0.007 0.000 0.298 26 T C -1.908 172.847 174.700 0.090 0.000 0.978 26 T CA -0.097 62.059 62.100 0.092 0.000 1.152 26 T CB 1.492 70.418 68.868 0.095 0.000 0.914 26 T HN 0.185 8.425 8.240 -0.000 0.000 0.539 27 P HA 0.190 4.610 4.420 -0.000 0.000 0.272 27 P C -0.254 177.081 177.300 0.059 0.000 1.223 27 P CA -0.403 62.735 63.100 0.064 0.000 0.784 27 P CB 0.485 32.216 31.700 0.052 0.000 0.923 28 L N 1.998 123.250 121.223 0.049 0.000 2.375 28 L HA 0.427 4.763 4.340 -0.007 0.000 0.271 28 L C 0.987 177.885 176.870 0.048 0.000 1.107 28 L CA -0.188 54.680 54.840 0.046 0.000 0.806 28 L CB 0.464 42.499 42.059 -0.039 0.000 1.146 28 L HN 0.528 8.758 8.230 -0.000 0.000 0.447 29 Q N 2.047 121.898 119.800 0.084 0.000 2.626 29 Q HA 0.613 4.949 4.340 -0.007 0.000 0.300 29 Q C -1.525 174.590 176.000 0.192 0.000 0.988 29 Q CA -1.052 54.824 55.803 0.123 0.000 0.761 29 Q CB 1.961 30.767 28.738 0.114 0.000 1.494 29 Q HN 0.444 8.714 8.270 -0.000 0.000 0.439 30 L N 1.167 122.529 121.223 0.232 0.000 2.371 30 L HA 0.542 4.878 4.340 -0.007 0.000 0.272 30 L C -0.607 176.498 176.870 0.391 0.000 1.124 30 L CA -0.395 54.612 54.840 0.280 0.000 0.816 30 L CB 0.700 42.891 42.059 0.219 0.000 1.129 30 L HN 0.565 8.795 8.230 -0.000 0.000 0.448 31 W N 4.271 125.628 121.300 0.096 0.000 3.363 31 W HA 0.302 4.959 4.660 -0.005 0.000 0.306 31 W C -2.809 173.754 176.519 0.073 0.000 1.253 31 W CA -1.760 55.627 57.345 0.069 0.000 1.195 31 W CB 2.295 31.787 29.460 0.054 0.000 1.366 31 W HN 0.187 8.367 8.180 -0.000 0.000 0.551 32 P HA -0.053 4.367 4.420 -0.000 0.000 0.264 32 P C -0.089 177.189 177.300 -0.035 0.000 1.183 32 P CA 0.565 63.495 63.100 -0.284 0.000 0.763 32 P CB 0.364 31.785 31.700 -0.465 0.000 0.807 33 c N 3.375 121.992 118.600 0.028 0.000 2.662 33 c HA 0.616 5.182 4.570 -0.007 0.000 0.420 33 c C 1.305 175.447 174.090 0.088 0.000 1.314 33 c CA 0.749 57.136 56.329 0.097 0.000 1.963 33 c CB -0.446 42.110 42.510 0.076 0.000 2.686 33 c HN 0.787 9.017 8.230 -0.000 0.000 0.609 34 G N 0.802 109.673 108.800 0.118 0.000 2.619 34 G HA2 0.530 4.486 3.960 -0.007 0.000 0.305 34 G HA3 0.530 4.486 3.960 -0.007 0.000 0.305 34 G C 0.278 175.226 174.900 0.080 0.000 1.330 34 G CA 0.406 45.562 45.100 0.094 0.000 0.789 34 G HN 0.613 8.903 8.290 -0.000 0.000 0.487 35 T N -1.492 113.095 114.554 0.056 0.000 3.086 35 T HA 0.139 4.485 4.350 -0.007 0.000 0.250 35 T C 0.978 175.686 174.700 0.013 0.000 1.074 35 T CA 0.349 62.470 62.100 0.035 0.000 0.988 35 T CB -0.089 68.795 68.868 0.027 0.000 0.988 35 T HN 0.689 8.929 8.240 -0.000 0.000 0.530 36 Q N 1.268 121.078 119.800 0.018 0.000 2.386 36 Q HA 0.142 4.477 4.340 -0.007 0.000 0.282 36 Q C 0.526 176.488 176.000 -0.065 0.000 1.050 36 Q CA -0.430 55.362 55.803 -0.018 0.000 0.918 36 Q CB 0.819 29.549 28.738 -0.013 0.000 1.266 36 Q HN 0.057 8.327 8.270 -0.000 0.000 0.423 37 R N 2.070 122.514 120.500 -0.094 0.000 2.152 37 R HA -0.119 4.216 4.340 -0.007 0.000 0.232 37 R C 1.408 177.555 176.300 -0.255 0.000 1.117 37 R CA 1.351 57.360 56.100 -0.151 0.000 0.981 37 R CB -0.749 29.473 30.300 -0.131 0.000 0.870 37 R HN 0.838 9.108 8.270 -0.000 0.000 0.451 38 N N 0.558 119.124 118.700 -0.224 0.000 2.515 38 N HA -0.101 4.635 4.740 -0.007 0.000 0.191 38 N C 0.722 176.058 175.510 -0.290 0.000 1.182 38 N CA 0.429 53.302 53.050 -0.294 0.000 0.879 38 N CB 0.125 38.494 38.487 -0.197 0.000 0.984 38 N HN 0.347 8.727 8.380 -0.000 0.000 0.453 39 Q N -0.398 119.271 119.800 -0.217 0.000 2.189 39 Q HA 0.231 4.567 4.340 -0.007 0.000 0.223 39 Q C -0.393 175.505 176.000 -0.171 0.000 0.828 39 Q CA -0.339 55.429 55.803 -0.059 0.000 0.967 39 Q CB 0.945 29.752 28.738 0.115 0.000 1.139 39 Q HN 0.132 8.402 8.270 -0.000 0.000 0.497 40 R N 0.092 120.358 120.500 -0.390 0.000 2.255 40 R HA 0.246 4.582 4.340 -0.007 0.000 0.326 40 R C -1.353 174.657 176.300 -0.482 0.000 0.986 40 R CA -0.054 55.901 56.100 -0.241 0.000 0.847 40 R CB 0.376 30.591 30.300 -0.142 0.000 1.111 40 R HN 0.046 8.316 8.270 -0.000 0.000 0.452 41 W N 1.258 122.546 121.300 -0.020 0.000 2.532 41 W HA 0.307 4.964 4.660 -0.005 0.000 0.321 41 W C -0.004 176.423 176.519 -0.154 0.000 1.037 41 W CA -0.524 56.733 57.345 -0.147 0.000 1.220 41 W CB 1.961 31.309 29.460 -0.186 0.000 1.361 41 W HN 0.242 8.422 8.180 -0.000 0.000 0.468 42 T N 4.160 118.666 114.554 -0.080 0.000 2.749 42 T HA 0.383 4.729 4.350 -0.007 0.000 0.287 42 T C -0.881 173.634 174.700 -0.308 0.000 0.970 42 T CA -0.437 61.594 62.100 -0.115 0.000 0.980 42 T CB 0.198 69.015 68.868 -0.085 0.000 0.924 42 T HN -0.021 8.219 8.240 -0.000 0.000 0.456 43 F N 3.076 122.768 119.950 -0.430 0.000 2.391 43 F HA 0.363 4.886 4.527 -0.006 0.000 0.359 43 F C 0.739 176.371 175.800 -0.280 0.000 1.122 43 F CA -0.951 56.795 58.000 -0.424 0.000 1.120 43 F CB 0.763 39.276 39.000 -0.811 0.000 1.142 43 F HN 0.408 8.708 8.300 -0.000 0.000 0.483 44 D N 0.386 120.786 120.400 0.000 0.000 2.268 44 D HA 0.174 4.810 4.640 -0.007 0.000 0.249 44 D C 1.137 177.503 176.300 0.110 0.000 1.008 44 D CA -0.197 53.836 54.000 0.055 0.000 0.939 44 D CB 1.600 42.417 40.800 0.029 0.000 1.170 44 D HN 0.439 8.809 8.370 -0.000 0.000 0.468 45 S N 0.318 116.087 115.700 0.115 0.000 2.419 45 S HA -0.234 4.232 4.470 -0.007 0.000 0.235 45 S C 1.034 175.689 174.600 0.091 0.000 1.019 45 S CA 1.131 59.401 58.200 0.116 0.000 0.982 45 S CB -0.274 62.984 63.200 0.098 0.000 0.789 45 S HN 0.589 8.899 8.310 -0.000 0.000 0.490 46 D N 0.569 121.011 120.400 0.071 0.000 2.338 46 D HA 0.057 4.693 4.640 -0.007 0.000 0.239 46 D C -0.070 176.265 176.300 0.059 0.000 1.095 46 D CA 0.414 54.446 54.000 0.054 0.000 0.888 46 D CB -0.771 40.053 40.800 0.039 0.000 0.899 46 D HN 0.232 8.602 8.370 -0.000 0.000 0.525 47 D N -0.818 119.635 120.400 0.089 0.000 3.090 47 D HA -0.149 4.487 4.640 -0.007 0.000 0.215 47 D C -0.333 176.042 176.300 0.125 0.000 1.140 47 D CA 1.415 55.482 54.000 0.112 0.000 0.937 47 D CB -1.750 39.095 40.800 0.074 0.000 1.108 47 D HN 0.587 8.957 8.370 -0.000 0.000 0.420 48 T N -1.673 112.934 114.554 0.090 0.000 2.918 48 T HA 0.697 5.043 4.350 -0.007 0.000 0.283 48 T C 0.608 175.293 174.700 -0.026 0.000 1.001 48 T CA -0.758 61.401 62.100 0.099 0.000 1.041 48 T CB 1.860 70.768 68.868 0.067 0.000 1.028 48 T HN 0.170 8.410 8.240 -0.000 0.000 0.511 49 I N 1.669 122.193 120.570 -0.077 0.000 2.468 49 I HA 0.424 4.590 4.170 -0.007 0.000 0.285 49 I C 0.038 176.128 176.117 -0.045 0.000 1.039 49 I CA -0.902 60.179 61.300 -0.365 0.000 1.074 49 I CB 1.692 39.265 38.000 -0.712 0.000 1.228 49 I HN 0.528 8.738 8.210 -0.000 0.000 0.436 50 R N 3.585 124.075 120.500 -0.017 0.000 2.637 50 R HA 0.718 5.054 4.340 -0.007 0.000 0.291 50 R C -0.780 175.434 176.300 -0.143 0.000 0.963 50 R CA -0.767 55.346 56.100 0.022 0.000 0.901 50 R CB 2.547 32.821 30.300 -0.044 0.000 1.160 50 R HN 0.542 8.812 8.270 -0.000 0.000 0.457 51 S N 2.028 117.513 115.700 -0.360 0.000 2.538 51 S HA 0.335 4.801 4.470 -0.007 0.000 0.288 51 S C 0.201 174.578 174.600 -0.370 0.000 1.108 51 S CA -0.550 57.245 58.200 -0.675 0.000 0.971 51 S CB 0.813 63.118 63.200 -1.493 0.000 1.041 51 S HN 0.806 9.116 8.310 -0.000 0.000 0.483 52 M N 3.094 122.516 119.600 -0.296 0.000 2.503 52 M HA -0.232 4.244 4.480 -0.007 0.000 0.199 52 M C 0.989 177.212 176.300 -0.129 0.000 0.466 52 M CA 1.103 56.291 55.300 -0.186 0.000 0.510 52 M CB -2.089 30.406 32.600 -0.175 0.000 1.858 52 M HN 1.326 9.616 8.290 -0.000 0.000 0.799 53 G N -0.460 108.268 108.800 -0.119 0.000 2.179 53 G HA2 -0.271 3.685 3.960 -0.007 0.000 0.260 53 G HA3 -0.271 3.685 3.960 -0.007 0.000 0.260 53 G C 0.110 174.978 174.900 -0.053 0.000 0.977 53 G CA 0.943 45.998 45.100 -0.074 0.000 0.641 53 G HN 0.503 8.793 8.290 -0.000 0.000 0.533 54 K N -1.095 119.270 120.400 -0.058 0.000 2.313 54 K HA 0.698 5.014 4.320 -0.007 0.000 0.235 54 K C -0.434 176.193 176.600 0.045 0.000 1.035 54 K CA -0.649 55.634 56.287 -0.007 0.000 0.868 54 K CB 1.840 34.330 32.500 -0.017 0.000 1.232 54 K HN 0.098 8.348 8.250 -0.000 0.000 0.459 55 c N 1.543 120.212 118.600 0.115 0.000 2.376 55 c HA 0.362 4.928 4.570 -0.007 0.000 0.335 55 c C 0.411 174.635 174.090 0.223 0.000 1.229 55 c CA -0.762 55.665 56.329 0.163 0.000 1.867 55 c CB 0.587 43.197 42.510 0.167 0.000 2.319 55 c HN 0.807 9.037 8.230 -0.000 0.000 0.515 56 M N 3.337 123.061 119.600 0.207 0.000 2.269 56 M HA 0.159 4.634 4.480 -0.007 0.000 0.350 56 M C -0.480 176.004 176.300 0.306 0.000 1.429 56 M CA 1.530 56.864 55.300 0.056 0.000 1.063 56 M CB 0.106 32.400 32.600 -0.511 0.000 1.841 56 M HN 0.795 9.085 8.290 -0.000 0.000 0.455 57 T N 4.730 119.456 114.554 0.288 0.000 2.928 57 T HA 0.584 4.930 4.350 -0.007 0.000 0.296 57 T C -0.807 174.051 174.700 0.263 0.000 1.000 57 T CA -0.677 61.601 62.100 0.296 0.000 0.989 57 T CB 1.591 70.569 68.868 0.183 0.000 1.005 57 T HN 0.763 9.003 8.240 -0.000 0.000 0.442 58 A N 2.959 125.920 122.820 0.235 0.000 2.404 58 A HA 0.427 4.743 4.320 -0.007 0.000 0.273 58 A C 0.622 178.212 177.584 0.010 0.000 1.144 58 A CA -0.363 51.753 52.037 0.131 0.000 0.806 58 A CB -0.166 18.846 19.000 0.020 0.000 1.080 58 A HN 0.679 8.829 8.150 -0.000 0.000 0.509 59 N N 2.217 120.928 118.700 0.017 0.000 3.124 59 N HA 0.428 5.164 4.740 -0.007 0.000 0.284 59 N C 0.280 175.771 175.510 -0.032 0.000 1.209 59 N CA 1.251 54.284 53.050 -0.029 0.000 1.149 59 N CB -0.513 37.981 38.487 0.011 0.000 1.434 59 N HN 1.326 9.706 8.380 -0.000 0.000 0.529 60 G N 0.748 109.513 108.800 -0.057 0.000 2.587 60 G HA2 -0.110 3.846 3.960 -0.007 0.000 0.686 60 G HA3 -0.110 3.846 3.960 -0.007 0.000 0.686 60 G C -0.511 174.358 174.900 -0.051 0.000 1.236 60 G CA -0.705 44.364 45.100 -0.052 0.000 0.820 60 G HN 0.332 8.622 8.290 -0.000 0.000 0.645 61 L N 1.187 122.375 121.223 -0.058 0.000 3.168 61 L HA 0.326 4.662 4.340 -0.007 0.000 0.277 61 L C 0.650 177.490 176.870 -0.050 0.000 1.308 61 L CA -0.383 54.416 54.840 -0.068 0.000 0.976 61 L CB -0.004 41.998 42.059 -0.094 0.000 1.383 61 L HN 0.466 8.696 8.230 -0.000 0.000 0.572 62 N N -0.360 118.320 118.700 -0.032 0.000 2.432 62 N HA 0.229 4.965 4.740 -0.007 0.000 0.292 62 N C -0.276 175.226 175.510 -0.014 0.000 1.193 62 N CA -0.813 52.222 53.050 -0.024 0.000 0.878 62 N CB 0.862 39.337 38.487 -0.020 0.000 1.252 62 N HN -0.006 8.374 8.380 -0.000 0.000 0.520 63 N N 0.323 119.015 118.700 -0.013 0.000 2.429 63 N HA 0.188 4.924 4.740 -0.007 0.000 0.271 63 N C 0.702 176.213 175.510 0.002 0.000 1.272 63 N CA 1.354 54.400 53.050 -0.006 0.000 0.921 63 N CB -0.098 38.383 38.487 -0.010 0.000 1.128 63 N HN 0.771 9.151 8.380 -0.000 0.000 0.481 64 G N 1.561 110.368 108.800 0.012 0.000 2.201 64 G HA2 -0.231 3.725 3.960 -0.007 0.000 0.212 64 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.212 64 G C 0.032 174.945 174.900 0.021 0.000 0.994 64 G CA 0.068 45.178 45.100 0.018 0.000 0.644 64 G HN 0.640 8.930 8.290 -0.000 0.000 0.508 65 S N 1.520 117.231 115.700 0.018 0.000 2.549 65 S HA 0.267 4.733 4.470 -0.007 0.000 0.286 65 S C 0.685 175.307 174.600 0.036 0.000 1.314 65 S CA -0.228 57.984 58.200 0.020 0.000 1.062 65 S CB 0.466 63.672 63.200 0.011 0.000 0.865 65 S HN 0.466 8.776 8.310 -0.000 0.000 0.498 66 N N 1.824 120.545 118.700 0.036 0.000 2.508 66 N HA 0.237 4.973 4.740 -0.007 0.000 0.264 66 N C -0.467 175.076 175.510 0.055 0.000 1.216 66 N CA 0.106 53.182 53.050 0.044 0.000 0.943 66 N CB 0.642 39.156 38.487 0.043 0.000 1.113 66 N HN 0.456 8.836 8.380 -0.000 0.000 0.447 67 I N 1.670 122.268 120.570 0.045 0.000 2.377 67 I HA 0.305 4.471 4.170 -0.007 0.000 0.293 67 I C 0.392 176.533 176.117 0.039 0.000 0.987 67 I CA -0.774 60.553 61.300 0.045 0.000 1.185 67 I CB 1.534 39.505 38.000 -0.048 0.000 1.341 67 I HN 0.216 8.426 8.210 -0.000 0.000 0.455 68 V N 3.843 123.807 119.914 0.083 0.000 3.167 68 V HA 0.609 4.725 4.120 -0.007 0.000 0.310 68 V C -0.830 175.361 176.094 0.162 0.000 1.207 68 V CA -0.940 61.431 62.300 0.120 0.000 1.059 68 V CB 2.135 34.053 31.823 0.159 0.000 1.079 68 V HN 0.530 8.720 8.190 -0.000 0.000 0.446 69 I N 1.265 121.942 120.570 0.177 0.000 2.499 69 I HA 0.774 4.940 4.170 -0.007 0.000 0.296 69 I C -0.845 175.416 176.117 0.240 0.000 0.992 69 I CA -0.474 60.939 61.300 0.189 0.000 1.297 69 I CB 1.129 39.198 38.000 0.115 0.000 1.410 69 I HN 0.734 8.944 8.210 -0.000 0.000 0.507 70 F N 6.132 126.117 119.950 0.059 0.000 2.650 70 F HA 0.286 4.810 4.527 -0.005 0.000 0.310 70 F C -0.220 175.599 175.800 0.031 0.000 1.112 70 F CA -0.972 57.052 58.000 0.040 0.000 0.986 70 F CB 0.991 40.018 39.000 0.044 0.000 1.285 70 F HN 0.481 8.781 8.300 -0.000 0.000 0.440 71 N N 3.238 121.906 118.700 -0.054 0.000 2.217 71 N HA -0.101 4.635 4.740 -0.007 0.000 0.268 71 N C 0.839 176.465 175.510 0.194 0.000 1.290 71 N CA 0.506 53.578 53.050 0.036 0.000 0.831 71 N CB 0.851 39.304 38.487 -0.057 0.000 1.057 71 N HN 0.805 9.185 8.380 -0.000 0.000 0.481 72 c N 2.199 120.867 118.600 0.113 0.000 2.432 72 c HA -0.049 4.516 4.570 -0.007 0.000 0.280 72 c C 2.628 176.773 174.090 0.091 0.000 1.353 72 c CA 0.464 56.857 56.329 0.107 0.000 1.766 72 c CB -0.957 41.593 42.510 0.066 0.000 1.924 72 c HN 0.753 8.983 8.230 -0.000 0.000 0.509 73 S N 0.702 116.448 115.700 0.077 0.000 2.395 73 S HA -0.115 4.351 4.470 -0.007 0.000 0.225 73 S C 2.016 176.662 174.600 0.077 0.000 1.027 73 S CA 1.778 60.014 58.200 0.060 0.000 0.965 73 S CB -0.433 62.791 63.200 0.040 0.000 0.812 73 S HN 0.884 9.194 8.310 -0.000 0.000 0.482 74 T N 0.209 114.841 114.554 0.130 0.000 3.057 74 T HA 0.461 4.807 4.350 -0.007 0.000 0.254 74 T C 0.750 175.552 174.700 0.169 0.000 1.094 74 T CA 0.342 62.539 62.100 0.162 0.000 1.088 74 T CB -0.214 68.779 68.868 0.209 0.000 0.934 74 T HN 0.284 8.524 8.240 -0.000 0.000 0.497 75 A N 1.567 124.499 122.820 0.187 0.000 2.466 75 A HA 0.675 4.991 4.320 -0.007 0.000 0.238 75 A C 0.876 178.419 177.584 -0.069 0.000 1.074 75 A CA -0.191 51.816 52.037 -0.050 0.000 0.774 75 A CB -0.488 18.518 19.000 0.011 0.000 1.015 75 A HN 0.863 9.013 8.150 -0.000 0.000 0.498 76 A N 0.759 123.494 122.820 -0.141 0.000 2.520 76 A HA 0.299 4.614 4.320 -0.007 0.000 0.245 76 A C 1.081 178.612 177.584 -0.088 0.000 1.072 76 A CA 0.593 52.567 52.037 -0.104 0.000 0.761 76 A CB -0.146 18.779 19.000 -0.125 0.000 1.004 76 A HN 1.009 9.159 8.150 -0.000 0.000 0.499 77 E N 2.299 122.458 120.200 -0.067 0.000 2.118 77 E HA -0.252 4.093 4.350 -0.007 0.000 0.195 77 E C 1.695 178.230 176.600 -0.107 0.000 0.992 77 E CA 2.323 58.684 56.400 -0.065 0.000 0.804 77 E CB -0.332 29.338 29.700 -0.051 0.000 0.741 77 E HN 0.946 9.306 8.360 -0.000 0.000 0.458 78 N N -0.939 117.688 118.700 -0.122 0.000 2.520 78 N HA -0.101 4.635 4.740 -0.007 0.000 0.185 78 N C 1.464 176.832 175.510 -0.236 0.000 1.068 78 N CA 0.748 53.699 53.050 -0.165 0.000 0.911 78 N CB -0.015 38.389 38.487 -0.139 0.000 0.961 78 N HN 0.157 8.537 8.380 -0.000 0.000 0.446 79 A N 1.235 123.933 122.820 -0.204 0.000 2.267 79 A HA 0.199 4.515 4.320 -0.007 0.000 0.213 79 A C 1.819 179.279 177.584 -0.207 0.000 1.192 79 A CA -0.218 51.686 52.037 -0.222 0.000 0.851 79 A CB -0.325 18.582 19.000 -0.153 0.000 0.881 79 A HN 0.552 8.701 8.150 -0.000 0.000 0.494 80 I N -4.799 115.671 120.570 -0.168 0.000 4.025 80 I HA 0.344 4.510 4.170 -0.007 0.000 0.336 80 I C -0.540 175.497 176.117 -0.132 0.000 1.390 80 I CA -0.391 60.898 61.300 -0.017 0.000 1.099 80 I CB 0.329 38.367 38.000 0.064 0.000 1.049 80 I HN -0.227 7.983 8.210 -0.000 0.000 0.394 81 K N 1.623 121.765 120.400 -0.430 0.000 2.156 81 K HA 0.448 4.764 4.320 -0.007 0.000 0.271 81 K C -1.786 174.366 176.600 -0.748 0.000 0.995 81 K CA 0.003 56.078 56.287 -0.353 0.000 0.890 81 K CB 1.327 33.682 32.500 -0.241 0.000 1.073 81 K HN 0.199 8.449 8.250 -0.000 0.000 0.454 82 W N 0.759 122.031 121.300 -0.047 0.000 3.127 82 W HA 0.323 4.979 4.660 -0.007 0.000 0.330 82 W C 0.043 176.561 176.519 -0.002 0.000 1.187 82 W CA -0.619 56.695 57.345 -0.051 0.000 1.198 82 W CB 1.562 30.964 29.460 -0.097 0.000 1.408 82 W HN 0.349 8.529 8.180 -0.000 0.000 0.529 83 E N 0.841 121.181 120.200 0.233 0.000 2.320 83 E HA 0.611 4.957 4.350 -0.007 0.000 0.264 83 E C -1.373 175.333 176.600 0.176 0.000 0.923 83 E CA -1.203 55.301 56.400 0.174 0.000 0.796 83 E CB 2.889 32.647 29.700 0.096 0.000 1.262 83 E HN 0.142 8.502 8.360 -0.000 0.000 0.428 84 V N 2.779 122.782 119.914 0.148 0.000 2.266 84 V HA 0.213 4.329 4.120 -0.007 0.000 0.266 84 V C -2.273 173.868 176.094 0.079 0.000 1.036 84 V CA -1.547 60.827 62.300 0.123 0.000 0.828 84 V CB 0.392 32.289 31.823 0.123 0.000 1.081 84 V HN 0.497 8.687 8.190 -0.000 0.000 0.449 85 P HA 0.111 4.531 4.420 -0.000 0.000 0.267 85 P C 1.440 178.720 177.300 -0.033 0.000 1.201 85 P CA -0.063 63.045 63.100 0.013 0.000 0.775 85 P CB 0.662 32.365 31.700 0.005 0.000 0.854 86 I N -0.285 120.235 120.570 -0.083 0.000 2.567 86 I HA -0.172 3.994 4.170 -0.007 0.000 0.257 86 I C 0.988 176.841 176.117 -0.440 0.000 1.184 86 I CA 1.548 62.775 61.300 -0.122 0.000 1.451 86 I CB -0.647 37.351 38.000 -0.002 0.000 1.089 86 I HN 0.180 8.390 8.210 -0.000 0.000 0.441 87 D N 1.231 121.265 120.400 -0.611 0.000 2.349 87 D HA 0.120 4.756 4.640 -0.007 0.000 0.224 87 D C 1.631 177.816 176.300 -0.193 0.000 1.029 87 D CA 0.650 54.180 54.000 -0.783 0.000 0.879 87 D CB 0.049 40.497 40.800 -0.587 0.000 0.906 87 D HN 0.545 8.915 8.370 -0.000 0.000 0.528 88 G N -0.690 108.074 108.800 -0.059 0.000 2.159 88 G HA2 -0.244 3.712 3.960 -0.007 0.000 0.227 88 G HA3 -0.244 3.712 3.960 -0.007 0.000 0.227 88 G C 0.353 175.353 174.900 0.168 0.000 0.986 88 G CA 0.124 45.276 45.100 0.086 0.000 0.651 88 G HN 0.412 8.702 8.290 -0.000 0.000 0.523 89 S N -0.433 115.343 115.700 0.128 0.000 2.608 89 S HA 0.675 5.141 4.470 -0.007 0.000 0.261 89 S C 0.403 175.129 174.600 0.209 0.000 1.314 89 S CA 0.171 58.491 58.200 0.200 0.000 0.992 89 S CB 1.113 64.365 63.200 0.087 0.000 0.935 89 S HN 0.408 8.718 8.310 -0.000 0.000 0.564 90 I N 1.641 122.322 120.570 0.184 0.000 2.468 90 I HA 0.453 4.619 4.170 -0.007 0.000 0.285 90 I C -0.818 175.402 176.117 0.172 0.000 1.039 90 I CA -0.160 61.182 61.300 0.070 0.000 1.074 90 I CB 1.231 39.076 38.000 -0.260 0.000 1.228 90 I HN 0.468 8.678 8.210 -0.000 0.000 0.436 91 I N 6.692 127.400 120.570 0.229 0.000 2.530 91 I HA 0.367 4.533 4.170 -0.007 0.000 0.297 91 I C -0.567 175.626 176.117 0.127 0.000 1.011 91 I CA -0.552 60.850 61.300 0.169 0.000 1.107 91 I CB 1.910 39.944 38.000 0.057 0.000 1.285 91 I HN 0.584 8.794 8.210 -0.000 0.000 0.436 92 N N 7.869 126.510 118.700 -0.098 0.000 2.439 92 N HA 0.290 5.025 4.740 -0.007 0.000 0.249 92 N C -2.201 173.140 175.510 -0.282 0.000 1.003 92 N CA -1.605 51.144 53.050 -0.503 0.000 0.942 92 N CB 1.902 39.975 38.487 -0.690 0.000 1.115 92 N HN 0.356 8.736 8.380 -0.000 0.000 0.505 93 P HA -0.110 4.310 4.420 -0.000 0.000 0.218 93 P C 1.471 178.685 177.300 -0.145 0.000 1.149 93 P CA 0.814 63.825 63.100 -0.149 0.000 0.817 93 P CB 0.298 31.926 31.700 -0.119 0.000 0.785 94 S N -0.251 115.337 115.700 -0.185 0.000 2.356 94 S HA -0.140 4.326 4.470 -0.007 0.000 0.223 94 S C 2.045 176.571 174.600 -0.122 0.000 1.032 94 S CA 2.126 60.238 58.200 -0.147 0.000 1.005 94 S CB -0.924 62.176 63.200 -0.167 0.000 0.867 94 S HN 0.275 8.585 8.310 -0.000 0.000 0.449 95 S N -0.694 114.921 115.700 -0.140 0.000 2.486 95 S HA 0.348 4.814 4.470 -0.007 0.000 0.220 95 S C 1.742 176.290 174.600 -0.086 0.000 1.011 95 S CA 0.932 59.068 58.200 -0.106 0.000 0.921 95 S CB -0.463 62.671 63.200 -0.111 0.000 0.785 95 S HN 1.329 9.639 8.310 -0.000 0.000 0.517 96 G N 1.258 110.002 108.800 -0.093 0.000 2.175 96 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.265 96 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.265 96 G C 0.015 174.878 174.900 -0.063 0.000 0.979 96 G CA 0.768 45.825 45.100 -0.072 0.000 0.663 96 G HN 0.566 8.856 8.290 -0.000 0.000 0.533 97 L N -0.097 121.091 121.223 -0.059 0.000 2.421 97 L HA 0.711 5.047 4.340 -0.007 0.000 0.263 97 L C 0.990 177.868 176.870 0.014 0.000 1.122 97 L CA -0.888 53.934 54.840 -0.029 0.000 0.804 97 L CB 1.434 43.481 42.059 -0.020 0.000 1.150 97 L HN 0.250 8.480 8.230 -0.000 0.000 0.457 98 V N -0.240 119.697 119.914 0.039 0.000 2.864 98 V HA 0.468 4.584 4.120 -0.007 0.000 0.314 98 V C -0.113 176.062 176.094 0.136 0.000 1.073 98 V CA -1.042 61.314 62.300 0.094 0.000 0.956 98 V CB 1.843 33.693 31.823 0.044 0.000 1.023 98 V HN 0.845 9.035 8.190 -0.000 0.000 0.435 99 M N 3.205 122.889 119.600 0.140 0.000 2.269 99 M HA 0.317 4.793 4.480 -0.007 0.000 0.350 99 M C -0.451 176.043 176.300 0.323 0.000 1.429 99 M CA 1.065 56.397 55.300 0.054 0.000 1.063 99 M CB 0.092 32.437 32.600 -0.425 0.000 1.841 99 M HN 1.015 9.305 8.290 -0.000 0.000 0.455 100 T N 4.487 119.203 114.554 0.270 0.000 2.916 100 T HA 0.638 4.984 4.350 -0.007 0.000 0.298 100 T C -1.034 173.839 174.700 0.290 0.000 1.031 100 T CA -0.689 61.586 62.100 0.291 0.000 0.993 100 T CB 1.717 70.668 68.868 0.138 0.000 1.045 100 T HN 0.705 8.945 8.240 -0.000 0.000 0.454 101 A N 4.257 127.237 122.820 0.266 0.000 2.341 101 A HA 0.601 4.916 4.320 -0.007 0.000 0.326 101 A C -1.660 175.978 177.584 0.089 0.000 1.402 101 A CA -1.538 50.612 52.037 0.188 0.000 0.957 101 A CB 0.295 19.380 19.000 0.142 0.000 1.151 101 A HN 0.523 8.673 8.150 -0.000 0.000 0.533 102 P HA -0.007 4.413 4.420 -0.000 0.000 0.229 102 P C 0.310 177.633 177.300 0.038 0.000 1.160 102 P CA 0.880 64.011 63.100 0.052 0.000 0.777 102 P CB 0.352 32.082 31.700 0.051 0.000 0.814 103 R N -1.601 118.926 120.500 0.044 0.000 2.837 103 R HA 0.645 4.981 4.340 -0.007 0.000 0.271 103 R C 0.820 177.140 176.300 0.032 0.000 0.993 103 R CA -0.517 55.603 56.100 0.034 0.000 0.931 103 R CB 1.213 31.538 30.300 0.041 0.000 1.206 103 R HN -0.259 8.011 8.270 -0.000 0.000 0.474 104 A N 1.001 123.832 122.820 0.019 0.000 2.119 104 A HA 0.207 4.522 4.320 -0.007 0.000 0.216 104 A C 0.884 178.485 177.584 0.028 0.000 1.152 104 A CA 0.823 52.867 52.037 0.012 0.000 0.708 104 A CB -0.121 18.876 19.000 -0.005 0.000 0.805 104 A HN 0.684 8.834 8.150 -0.000 0.000 0.460 105 A N 0.161 123.003 122.820 0.037 0.000 2.425 105 A HA 0.476 4.792 4.320 -0.007 0.000 0.242 105 A C 0.780 178.405 177.584 0.070 0.000 1.077 105 A CA -0.085 51.977 52.037 0.042 0.000 0.781 105 A CB -0.123 18.907 19.000 0.049 0.000 1.020 105 A HN 0.362 8.512 8.150 -0.000 0.000 0.494 106 S N 0.532 116.264 115.700 0.053 0.000 2.558 106 S HA 0.203 4.669 4.470 -0.007 0.000 0.287 106 S C 0.997 175.729 174.600 0.220 0.000 1.321 106 S CA 0.634 58.907 58.200 0.122 0.000 1.048 106 S CB 0.077 63.269 63.200 -0.013 0.000 0.844 106 S HN 0.771 9.081 8.310 -0.000 0.000 0.512 107 R N -1.273 119.422 120.500 0.326 0.000 3.922 107 R HA -0.140 4.196 4.340 -0.007 0.000 0.447 107 R C -0.229 176.161 176.300 0.149 0.000 1.035 107 R CA 1.014 57.257 56.100 0.238 0.000 1.289 107 R CB -2.709 27.717 30.300 0.211 0.000 1.906 107 R HN 0.626 8.896 8.270 -0.000 0.000 0.540 108 T N 2.074 116.713 114.554 0.142 0.000 2.902 108 T HA 0.272 4.618 4.350 -0.007 0.000 0.301 108 T C 0.853 175.621 174.700 0.114 0.000 1.012 108 T CA 0.213 62.380 62.100 0.112 0.000 1.151 108 T CB 0.809 69.740 68.868 0.105 0.000 0.946 108 T HN 0.114 8.354 8.240 -0.000 0.000 0.542 109 I N 3.688 124.311 120.570 0.089 0.000 2.396 109 I HA 0.256 4.422 4.170 -0.007 0.000 0.292 109 I C 0.336 176.499 176.117 0.077 0.000 0.999 109 I CA -0.667 60.679 61.300 0.076 0.000 1.310 109 I CB 0.884 38.919 38.000 0.060 0.000 1.404 109 I HN 0.361 8.571 8.210 -0.000 0.000 0.496 110 L N 6.995 128.255 121.223 0.062 0.000 2.371 110 L HA 0.460 4.796 4.340 -0.007 0.000 0.272 110 L C -0.313 176.579 176.870 0.036 0.000 1.124 110 L CA -0.323 54.549 54.840 0.054 0.000 0.816 110 L CB 0.657 42.701 42.059 -0.026 0.000 1.129 110 L HN 0.417 8.647 8.230 -0.000 0.000 0.448 111 L N 3.195 124.452 121.223 0.058 0.000 2.333 111 L HA 0.524 4.860 4.340 -0.007 0.000 0.263 111 L C -0.557 176.353 176.870 0.067 0.000 1.014 111 L CA -0.827 54.047 54.840 0.056 0.000 0.820 111 L CB 2.458 44.551 42.059 0.056 0.000 1.352 111 L HN 0.431 8.661 8.230 -0.000 0.000 0.421 112 L N 1.910 123.177 121.223 0.073 0.000 2.319 112 L HA 0.383 4.719 4.340 -0.007 0.000 0.280 112 L C -0.216 176.683 176.870 0.047 0.000 1.099 112 L CA 0.072 54.960 54.840 0.080 0.000 0.828 112 L CB 0.910 43.014 42.059 0.075 0.000 1.150 112 L HN 0.633 8.863 8.230 -0.000 0.000 0.442 113 E N 1.534 121.758 120.200 0.040 0.000 2.429 113 E HA 0.230 4.576 4.350 -0.007 0.000 0.276 113 E C -1.502 175.093 176.600 -0.009 0.000 0.953 113 E CA -1.098 55.312 56.400 0.015 0.000 0.787 113 E CB 1.850 31.563 29.700 0.021 0.000 1.307 113 E HN 0.432 8.792 8.360 -0.000 0.000 0.458 114 D N 1.705 122.090 120.400 -0.024 0.000 2.533 114 D HA -0.063 4.573 4.640 -0.007 0.000 0.236 114 D C -0.100 176.152 176.300 -0.080 0.000 1.137 114 D CA 0.528 54.499 54.000 -0.049 0.000 0.867 114 D CB 0.233 41.007 40.800 -0.044 0.000 1.170 114 D HN 0.230 8.600 8.370 -0.000 0.000 0.474 115 N N 1.959 120.579 118.700 -0.133 0.000 2.438 115 N HA 0.029 4.765 4.740 -0.007 0.000 0.267 115 N C 0.454 175.805 175.510 -0.266 0.000 1.222 115 N CA -0.035 52.865 53.050 -0.250 0.000 0.930 115 N CB 0.172 38.431 38.487 -0.379 0.000 1.083 115 N HN 0.467 8.847 8.380 -0.000 0.000 0.476 116 I N 0.596 121.036 120.570 -0.216 0.000 4.050 116 I HA 0.295 4.461 4.170 -0.007 0.000 0.327 116 I C -0.623 175.475 176.117 -0.032 0.000 1.473 116 I CA -0.568 60.663 61.300 -0.115 0.000 1.124 116 I CB -0.341 37.621 38.000 -0.063 0.000 1.129 116 I HN 0.339 8.549 8.210 -0.000 0.000 0.428 117 Y N 0.879 121.131 120.300 -0.080 0.000 3.589 117 Y HA -0.252 4.294 4.550 -0.007 0.000 0.218 117 Y C 1.028 176.865 175.900 -0.106 0.000 1.234 117 Y CA 0.268 58.310 58.100 -0.096 0.000 1.576 117 Y CB -1.905 36.477 38.460 -0.130 0.000 1.487 117 Y HN 0.568 8.848 8.280 -0.000 0.000 0.616 118 A N 0.383 123.199 122.820 -0.007 0.000 2.304 118 A HA 0.732 5.048 4.320 -0.007 0.000 0.271 118 A C 1.358 178.909 177.584 -0.055 0.000 1.091 118 A CA 0.030 52.051 52.037 -0.025 0.000 0.812 118 A CB 0.663 19.646 19.000 -0.028 0.000 1.056 118 A HN 0.834 8.984 8.150 -0.000 0.000 0.489 119 A N 0.821 123.599 122.820 -0.070 0.000 2.019 119 A HA -0.040 4.276 4.320 -0.007 0.000 0.219 119 A C 2.151 179.634 177.584 -0.169 0.000 1.164 119 A CA 2.049 54.024 52.037 -0.102 0.000 0.644 119 A CB -0.948 18.006 19.000 -0.076 0.000 0.805 119 A HN 1.641 9.791 8.150 -0.000 0.000 0.449 120 S N -0.899 114.723 115.700 -0.130 0.000 2.595 120 S HA -0.091 4.375 4.470 -0.007 0.000 0.235 120 S C 1.198 175.692 174.600 -0.176 0.000 0.974 120 S CA 1.063 59.171 58.200 -0.153 0.000 0.942 120 S CB -0.243 62.923 63.200 -0.057 0.000 0.766 120 S HN 0.715 9.025 8.310 -0.000 0.000 0.536 121 Q N 0.572 120.280 119.800 -0.152 0.000 2.159 121 Q HA 0.325 4.661 4.340 -0.007 0.000 0.217 121 Q C 0.495 176.400 176.000 -0.158 0.000 0.818 121 Q CA -0.207 55.585 55.803 -0.018 0.000 1.008 121 Q CB 1.106 29.864 28.738 0.032 0.000 1.148 121 Q HN 0.591 8.861 8.270 -0.000 0.000 0.491 122 G N 0.287 108.812 108.800 -0.458 0.000 2.348 122 G HA2 0.455 4.411 3.960 -0.007 0.000 0.312 122 G HA3 0.455 4.411 3.960 -0.007 0.000 0.312 122 G C -1.462 172.982 174.900 -0.761 0.000 1.126 122 G CA -0.240 44.644 45.100 -0.360 0.000 0.865 122 G HN 0.091 8.381 8.290 -0.000 0.000 0.474 123 W N -0.324 120.999 121.300 0.038 0.000 3.083 123 W HA 0.599 5.255 4.660 -0.007 0.000 0.333 123 W C -0.398 176.148 176.519 0.045 0.000 1.217 123 W CA -0.695 56.669 57.345 0.031 0.000 1.170 123 W CB 2.260 31.714 29.460 -0.009 0.000 1.437 123 W HN 0.490 8.670 8.180 -0.000 0.000 0.557 124 T N 1.621 116.341 114.554 0.278 0.000 2.881 124 T HA 0.408 4.754 4.350 -0.007 0.000 0.291 124 T C -1.151 173.647 174.700 0.163 0.000 0.990 124 T CA -0.623 61.585 62.100 0.179 0.000 0.976 124 T CB 1.305 70.249 68.868 0.126 0.000 0.970 124 T HN 0.149 8.389 8.240 -0.000 0.000 0.438 125 V N 3.880 123.856 119.914 0.103 0.000 2.389 125 V HA 0.684 4.800 4.120 -0.007 0.000 0.264 125 V C 0.511 176.646 176.094 0.069 0.000 1.049 125 V CA -0.024 62.312 62.300 0.060 0.000 0.932 125 V CB 0.821 32.560 31.823 -0.140 0.000 1.011 125 V HN 1.015 9.205 8.190 -0.000 0.000 0.475 126 T N 3.306 117.927 114.554 0.113 0.000 2.830 126 T HA 0.292 4.638 4.350 -0.007 0.000 0.322 126 T C 0.344 175.111 174.700 0.112 0.000 1.501 126 T CA -0.546 61.610 62.100 0.093 0.000 1.036 126 T CB 1.757 70.665 68.868 0.067 0.000 1.379 126 T HN 0.446 8.686 8.240 -0.000 0.000 0.493 127 N N 1.844 120.598 118.700 0.090 0.000 2.424 127 N HA 0.114 4.850 4.740 -0.007 0.000 0.178 127 N C 0.170 175.715 175.510 0.058 0.000 1.060 127 N CA 0.199 53.299 53.050 0.084 0.000 0.901 127 N CB -0.038 38.493 38.487 0.074 0.000 0.979 127 N HN 0.517 8.897 8.380 -0.000 0.000 0.451 128 N N 0.872 119.597 118.700 0.042 0.000 2.437 128 N HA 0.023 4.759 4.740 -0.007 0.000 0.243 128 N C 0.722 176.242 175.510 0.017 0.000 1.041 128 N CA -0.143 52.920 53.050 0.021 0.000 0.940 128 N CB 0.916 39.406 38.487 0.004 0.000 1.133 128 N HN -0.086 8.294 8.380 -0.000 0.000 0.506 129 V N 0.545 120.468 119.914 0.016 0.000 3.646 129 V HA 0.283 4.399 4.120 -0.007 0.000 0.277 129 V C 0.440 176.511 176.094 -0.039 0.000 1.274 129 V CA 0.278 62.584 62.300 0.011 0.000 1.164 129 V CB -0.941 30.902 31.823 0.034 0.000 0.926 129 V HN 0.361 8.551 8.190 -0.000 0.000 0.442 130 K N 1.516 121.882 120.400 -0.057 0.000 2.123 130 K HA 0.538 4.854 4.320 -0.007 0.000 0.259 130 K C -2.692 173.817 176.600 -0.152 0.000 0.960 130 K CA -2.059 54.163 56.287 -0.107 0.000 0.872 130 K CB 1.284 33.741 32.500 -0.072 0.000 1.079 130 K HN 0.083 8.333 8.250 -0.000 0.000 0.440 131 P HA -0.014 4.406 4.420 -0.000 0.000 0.266 131 P C -0.411 176.820 177.300 -0.115 0.000 1.193 131 P CA -0.058 62.874 63.100 -0.279 0.000 0.770 131 P CB 0.336 31.748 31.700 -0.479 0.000 0.836 132 I N 2.470 123.001 120.570 -0.065 0.000 2.441 132 I HA 0.101 4.267 4.170 -0.007 0.000 0.287 132 I C 0.205 176.323 176.117 0.002 0.000 1.049 132 I CA -0.382 60.897 61.300 -0.035 0.000 1.381 132 I CB 0.526 38.500 38.000 -0.044 0.000 1.409 132 I HN 0.023 8.233 8.210 -0.000 0.000 0.523 133 V N 6.061 125.979 119.914 0.008 0.000 2.370 133 V HA 0.809 4.925 4.120 -0.007 0.000 0.283 133 V C 0.305 176.424 176.094 0.041 0.000 1.023 133 V CA -0.459 61.863 62.300 0.037 0.000 0.857 133 V CB 1.150 32.984 31.823 0.019 0.000 0.985 133 V HN 0.940 9.130 8.190 -0.000 0.000 0.443 134 A N 3.536 126.409 122.820 0.089 0.000 2.587 134 A HA 0.812 5.128 4.320 -0.007 0.000 0.293 134 A C -0.274 177.422 177.584 0.185 0.000 1.087 134 A CA -0.569 51.525 52.037 0.095 0.000 0.692 134 A CB 1.734 20.766 19.000 0.053 0.000 1.291 134 A HN 0.615 8.765 8.150 -0.000 0.000 0.407 135 S N -0.125 115.670 115.700 0.159 0.000 2.593 135 S HA 0.523 4.989 4.470 -0.007 0.000 0.269 135 S C -0.168 174.593 174.600 0.269 0.000 1.334 135 S CA 0.011 58.353 58.200 0.236 0.000 1.015 135 S CB 0.288 63.576 63.200 0.148 0.000 0.912 135 S HN 0.456 8.766 8.310 -0.000 0.000 0.541 136 I N 2.295 123.061 120.570 0.328 0.000 2.420 136 I HA 0.282 4.448 4.170 -0.007 0.000 0.282 136 I C -0.958 175.349 176.117 0.317 0.000 1.019 136 I CA -0.539 60.903 61.300 0.237 0.000 1.130 136 I CB 1.345 39.335 38.000 -0.016 0.000 1.262 136 I HN 0.228 8.438 8.210 -0.000 0.000 0.454 137 V N 5.871 125.956 119.914 0.286 0.000 2.439 137 V HA 0.732 4.847 4.120 -0.007 0.000 0.282 137 V C 0.649 176.876 176.094 0.221 0.000 1.039 137 V CA -0.104 62.329 62.300 0.222 0.000 0.913 137 V CB 1.149 33.046 31.823 0.123 0.000 0.983 137 V HN 0.915 9.105 8.190 -0.000 0.000 0.460 138 G N 2.223 111.070 108.800 0.078 0.000 3.291 138 G HA2 0.342 4.298 3.960 -0.007 0.000 0.173 138 G HA3 0.342 4.298 3.960 -0.007 0.000 0.173 138 G C -0.926 173.820 174.900 -0.257 0.000 1.099 138 G CA -0.620 44.272 45.100 -0.347 0.000 0.794 138 G HN 0.428 8.718 8.290 -0.000 0.000 0.651 139 Y N 1.827 121.821 120.300 -0.511 0.000 2.811 139 Y HA 0.123 4.669 4.550 -0.007 0.000 0.334 139 Y C 1.462 177.267 175.900 -0.159 0.000 1.247 139 Y CA 1.008 58.920 58.100 -0.314 0.000 1.526 139 Y CB 0.210 38.492 38.460 -0.296 0.000 1.284 139 Y HN 0.669 8.949 8.280 -0.000 0.000 0.586 140 K N 3.135 123.145 120.400 -0.649 0.000 3.274 140 K HA -0.278 4.038 4.320 -0.007 0.000 0.300 140 K C -0.080 176.382 176.600 -0.230 0.000 1.230 140 K CA 0.920 56.903 56.287 -0.507 0.000 0.884 140 K CB -0.807 31.331 32.500 -0.604 0.000 1.242 140 K HN 0.827 9.077 8.250 -0.000 0.000 0.467 141 E N -2.208 117.897 120.200 -0.159 0.000 2.791 141 E HA -0.230 4.116 4.350 -0.007 0.000 0.271 141 E C -0.004 176.578 176.600 -0.029 0.000 1.044 141 E CA 1.771 58.127 56.400 -0.073 0.000 0.814 141 E CB -1.697 27.966 29.700 -0.061 0.000 1.400 141 E HN 0.566 8.926 8.360 -0.000 0.000 0.423 142 M N -0.725 118.861 119.600 -0.023 0.000 2.371 142 M HA 0.327 4.802 4.480 -0.007 0.000 0.301 142 M C 0.548 176.919 176.300 0.118 0.000 1.173 142 M CA -0.348 54.979 55.300 0.045 0.000 1.020 142 M CB 1.311 33.942 32.600 0.051 0.000 1.490 142 M HN 0.026 8.316 8.290 -0.000 0.000 0.485 143 c N 1.823 120.517 118.600 0.158 0.000 2.355 143 c HA 0.533 5.099 4.570 -0.007 0.000 0.332 143 c C -0.129 174.131 174.090 0.283 0.000 1.255 143 c CA -0.886 55.574 56.329 0.218 0.000 1.792 143 c CB 1.024 43.636 42.510 0.170 0.000 2.300 143 c HN 0.678 8.908 8.230 -0.000 0.000 0.515 144 L N 3.792 125.234 121.223 0.366 0.000 2.453 144 L HA 0.299 4.635 4.340 -0.007 0.000 0.272 144 L C 0.062 177.212 176.870 0.467 0.000 1.182 144 L CA 1.153 56.203 54.840 0.350 0.000 0.858 144 L CB 0.295 42.420 42.059 0.111 0.000 1.120 144 L HN 0.781 9.011 8.230 -0.000 0.000 0.474 145 Q N 2.576 122.552 119.800 0.293 0.000 2.331 145 Q HA 0.520 4.856 4.340 -0.007 0.000 0.272 145 Q C -1.007 174.960 176.000 -0.055 0.000 1.062 145 Q CA -0.709 55.145 55.803 0.085 0.000 0.806 145 Q CB 1.766 30.460 28.738 -0.073 0.000 1.312 145 Q HN 0.837 9.107 8.270 -0.000 0.000 0.431 146 S N 2.444 118.039 115.700 -0.175 0.000 2.652 146 S HA 0.461 4.927 4.470 -0.007 0.000 0.270 146 S C 0.009 174.378 174.600 -0.384 0.000 1.243 146 S CA -0.506 57.559 58.200 -0.225 0.000 0.999 146 S CB 0.828 63.890 63.200 -0.231 0.000 0.973 146 S HN 0.774 9.084 8.310 -0.000 0.000 0.544 147 N N 0.166 118.643 118.700 -0.372 0.000 2.381 147 N HA 0.310 5.046 4.740 -0.007 0.000 0.257 147 N C 0.146 175.562 175.510 -0.156 0.000 1.409 147 N CA 0.288 53.136 53.050 -0.338 0.000 0.836 147 N CB 1.021 39.102 38.487 -0.675 0.000 1.384 147 N HN 1.134 9.514 8.380 -0.000 0.000 0.490 148 G N 1.268 109.994 108.800 -0.124 0.000 2.587 148 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.686 148 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.686 148 G C -0.827 174.048 174.900 -0.041 0.000 1.236 148 G CA -0.904 44.157 45.100 -0.065 0.000 0.820 148 G HN 0.234 8.524 8.290 -0.000 0.000 0.645 149 E N 0.356 120.541 120.200 -0.025 0.000 2.452 149 E HA 0.265 4.611 4.350 -0.007 0.000 0.261 149 E C 1.287 177.888 176.600 0.002 0.000 0.987 149 E CA 0.790 57.184 56.400 -0.011 0.000 0.926 149 E CB -0.050 29.644 29.700 -0.010 0.000 0.934 149 E HN 0.741 9.101 8.360 -0.000 0.000 0.452 150 N N 0.873 119.579 118.700 0.010 0.000 2.936 150 N HA -0.245 4.491 4.740 -0.007 0.000 0.236 150 N C -0.610 174.922 175.510 0.037 0.000 0.930 150 N CA 0.913 53.975 53.050 0.021 0.000 0.966 150 N CB -0.811 37.687 38.487 0.020 0.000 1.090 150 N HN 0.454 8.834 8.380 -0.000 0.000 0.592 151 N N 0.382 119.102 118.700 0.033 0.000 2.482 151 N HA 0.524 5.260 4.740 -0.007 0.000 0.279 151 N C 0.362 175.910 175.510 0.063 0.000 1.182 151 N CA 0.408 53.499 53.050 0.069 0.000 0.969 151 N CB 0.972 39.489 38.487 0.050 0.000 1.201 151 N HN 0.223 8.603 8.380 -0.000 0.000 0.523 152 G N -0.309 108.598 108.800 0.178 0.000 2.594 152 G HA2 0.356 4.312 3.960 -0.007 0.000 0.243 152 G HA3 0.356 4.312 3.960 -0.007 0.000 0.243 152 G C 0.163 175.039 174.900 -0.040 0.000 1.229 152 G CA -0.335 44.880 45.100 0.192 0.000 0.843 152 G HN 0.434 8.724 8.290 -0.000 0.000 0.578 153 V N -0.721 119.186 119.914 -0.011 0.000 2.904 153 V HA 0.925 5.041 4.120 -0.007 0.000 0.305 153 V C -0.311 175.837 176.094 0.090 0.000 1.067 153 V CA -0.869 61.359 62.300 -0.120 0.000 1.044 153 V CB 0.688 32.477 31.823 -0.057 0.000 1.050 153 V HN 1.098 9.288 8.190 -0.000 0.000 0.475 154 W N 1.831 123.197 121.300 0.110 0.000 2.895 154 W HA 0.790 5.447 4.660 -0.006 0.000 0.377 154 W C -1.399 175.207 176.519 0.144 0.000 1.191 154 W CA -1.331 56.080 57.345 0.109 0.000 1.179 154 W CB 0.898 30.405 29.460 0.078 0.000 1.469 154 W HN 0.517 8.697 8.180 -0.000 0.000 0.577 155 M N 2.533 122.434 119.600 0.501 0.000 2.277 155 M HA 0.451 4.927 4.480 -0.007 0.000 0.350 155 M C -0.355 176.152 176.300 0.344 0.000 1.180 155 M CA -0.461 55.051 55.300 0.353 0.000 1.103 155 M CB 0.720 33.487 32.600 0.279 0.000 1.577 155 M HN 0.481 8.771 8.290 -0.000 0.000 0.459 156 E N 0.884 121.229 120.200 0.242 0.000 2.383 156 E HA 0.299 4.645 4.350 -0.007 0.000 0.275 156 E C -1.383 175.289 176.600 0.119 0.000 0.918 156 E CA -0.747 55.764 56.400 0.185 0.000 0.764 156 E CB 1.669 31.478 29.700 0.182 0.000 1.252 156 E HN 0.479 8.839 8.360 -0.000 0.000 0.449 157 D N 0.828 121.277 120.400 0.082 0.000 2.571 157 D HA -0.033 4.602 4.640 -0.007 0.000 0.231 157 D C -0.026 176.306 176.300 0.054 0.000 1.133 157 D CA 0.450 54.481 54.000 0.052 0.000 0.862 157 D CB 0.308 41.128 40.800 0.033 0.000 1.179 157 D HN 0.280 8.650 8.370 -0.000 0.000 0.474 158 c N 3.524 122.153 118.600 0.049 0.000 2.634 158 c HA 0.108 4.674 4.570 -0.007 0.000 0.418 158 c C 0.667 174.775 174.090 0.030 0.000 1.373 158 c CA -0.208 56.150 56.329 0.049 0.000 1.756 158 c CB -0.506 42.033 42.510 0.048 0.000 2.589 158 c HN 0.362 8.592 8.230 -0.000 0.000 0.602 159 E N 1.216 121.430 120.200 0.023 0.000 2.260 159 E HA 0.306 4.652 4.350 -0.007 0.000 0.266 159 E C 0.336 176.937 176.600 0.001 0.000 0.887 159 E CA -0.315 56.091 56.400 0.010 0.000 0.777 159 E CB 1.612 31.317 29.700 0.007 0.000 1.205 159 E HN 0.671 9.031 8.360 -0.000 0.000 0.414 160 A N 2.286 125.106 122.820 0.000 0.000 2.032 160 A HA -0.192 4.124 4.320 -0.007 0.000 0.221 160 A C 1.757 179.331 177.584 -0.016 0.000 1.165 160 A CA 2.432 54.466 52.037 -0.005 0.000 0.645 160 A CB -0.518 18.480 19.000 -0.003 0.000 0.807 160 A HN 0.566 8.716 8.150 -0.000 0.000 0.453 161 T N -3.288 111.256 114.554 -0.017 0.000 3.107 161 T HA 0.242 4.588 4.350 -0.007 0.000 0.249 161 T C 0.731 175.409 174.700 -0.036 0.000 1.096 161 T CA 0.586 62.671 62.100 -0.024 0.000 1.012 161 T CB -0.236 68.621 68.868 -0.017 0.000 0.977 161 T HN 0.276 8.516 8.240 -0.000 0.000 0.527 162 S N 1.335 117.011 115.700 -0.040 0.000 2.400 162 S HA 0.387 4.853 4.470 -0.007 0.000 0.295 162 S C 1.090 175.629 174.600 -0.102 0.000 1.113 162 S CA -0.819 57.344 58.200 -0.060 0.000 1.064 162 S CB -0.192 62.979 63.200 -0.048 0.000 0.990 162 S HN 0.452 8.762 8.310 -0.000 0.000 0.502 163 L N 4.413 125.566 121.223 -0.116 0.000 2.217 163 L HA -0.051 4.285 4.340 -0.007 0.000 0.211 163 L C 2.402 179.119 176.870 -0.254 0.000 1.107 163 L CA 0.952 55.698 54.840 -0.156 0.000 0.783 163 L CB -0.330 41.653 42.059 -0.127 0.000 0.919 163 L HN 0.707 8.937 8.230 -0.000 0.000 0.442 164 Q N -0.182 119.467 119.800 -0.252 0.000 2.488 164 Q HA -0.143 4.193 4.340 -0.007 0.000 0.211 164 Q C 1.448 177.146 176.000 -0.503 0.000 0.967 164 Q CA 0.607 56.185 55.803 -0.374 0.000 0.926 164 Q CB 0.126 28.699 28.738 -0.275 0.000 0.992 164 Q HN 0.587 8.857 8.270 -0.000 0.000 0.506 165 Q N -0.014 119.575 119.800 -0.352 0.000 2.360 165 Q HA 0.052 4.388 4.340 -0.007 0.000 0.202 165 Q C -0.287 175.449 176.000 -0.439 0.000 0.915 165 Q CA 0.112 55.746 55.803 -0.282 0.000 0.943 165 Q CB 0.578 29.283 28.738 -0.054 0.000 1.064 165 Q HN 0.334 8.604 8.270 -0.000 0.000 0.511 166 Q N -0.003 119.446 119.800 -0.586 0.000 2.290 166 Q HA 0.264 4.600 4.340 -0.007 0.000 0.259 166 Q C -1.366 174.284 176.000 -0.583 0.000 0.941 166 Q CA -0.208 55.355 55.803 -0.401 0.000 0.912 166 Q CB 0.989 29.597 28.738 -0.217 0.000 1.244 166 Q HN 0.136 8.406 8.270 -0.000 0.000 0.441 167 W N 0.913 122.210 121.300 -0.005 0.000 2.702 167 W HA 0.601 5.257 4.660 -0.007 0.000 0.331 167 W C -0.488 176.053 176.519 0.037 0.000 1.049 167 W CA -0.858 56.491 57.345 0.006 0.000 1.230 167 W CB 1.532 30.991 29.460 -0.002 0.000 1.408 167 W HN 0.574 8.754 8.180 -0.000 0.000 0.492 168 A N 4.302 127.321 122.820 0.331 0.000 2.252 168 A HA 0.650 4.966 4.320 -0.007 0.000 0.309 168 A C -0.795 177.006 177.584 0.362 0.000 1.285 168 A CA -0.600 51.615 52.037 0.296 0.000 0.900 168 A CB 0.096 19.327 19.000 0.385 0.000 1.157 168 A HN 0.733 8.883 8.150 -0.000 0.000 0.536 169 L N 3.799 125.153 121.223 0.219 0.000 2.282 169 L HA 0.268 4.604 4.340 -0.007 0.000 0.287 169 L C -0.703 176.272 176.870 0.176 0.000 1.075 169 L CA -0.418 54.540 54.840 0.196 0.000 0.839 169 L CB -0.236 41.854 42.059 0.051 0.000 1.219 169 L HN 0.647 8.877 8.230 -0.000 0.000 0.434 170 Y N 0.954 121.305 120.300 0.085 0.000 2.300 170 Y HA 0.189 4.735 4.550 -0.007 0.000 0.328 170 Y C 1.527 177.458 175.900 0.051 0.000 1.270 170 Y CA 0.367 58.501 58.100 0.057 0.000 1.352 170 Y CB 1.489 39.976 38.460 0.046 0.000 1.286 170 Y HN 0.567 8.847 8.280 -0.000 0.000 0.536 171 G N 0.381 109.238 108.800 0.096 0.000 2.471 171 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.219 171 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.219 171 G C 0.783 175.715 174.900 0.053 0.000 1.125 171 G CA 0.888 46.035 45.100 0.079 0.000 0.775 171 G HN 0.748 9.038 8.290 -0.000 0.000 0.548 172 D N -0.390 120.029 120.400 0.031 0.000 2.324 172 D HA 0.008 4.644 4.640 -0.007 0.000 0.235 172 D C 1.075 177.363 176.300 -0.019 0.000 1.095 172 D CA -0.325 53.601 54.000 -0.124 0.000 0.871 172 D CB -0.037 40.657 40.800 -0.177 0.000 0.906 172 D HN 0.103 8.473 8.370 -0.000 0.000 0.522 173 R N -0.876 119.687 120.500 0.104 0.000 3.936 173 R HA -0.122 4.214 4.340 -0.007 0.000 0.366 173 R C 0.002 176.435 176.300 0.221 0.000 1.158 173 R CA 1.101 57.310 56.100 0.180 0.000 0.969 173 R CB -3.512 26.876 30.300 0.146 0.000 1.504 173 R HN 0.585 8.855 8.270 -0.000 0.000 0.538 174 T N -1.699 112.975 114.554 0.200 0.000 2.918 174 T HA 0.760 5.106 4.350 -0.007 0.000 0.283 174 T C 0.798 175.651 174.700 0.254 0.000 1.001 174 T CA -0.804 61.427 62.100 0.219 0.000 1.041 174 T CB 1.947 70.861 68.868 0.077 0.000 1.028 174 T HN 0.197 8.437 8.240 -0.000 0.000 0.511 175 I N 2.156 122.852 120.570 0.209 0.000 2.382 175 I HA 0.408 4.574 4.170 -0.007 0.000 0.285 175 I C 0.494 176.711 176.117 0.167 0.000 1.007 175 I CA -0.823 60.550 61.300 0.121 0.000 1.142 175 I CB 1.114 38.989 38.000 -0.208 0.000 1.289 175 I HN 0.492 8.702 8.210 -0.000 0.000 0.453 176 R N 4.415 125.077 120.500 0.270 0.000 2.732 176 R HA 0.604 4.940 4.340 -0.007 0.000 0.278 176 R C -0.835 175.652 176.300 0.313 0.000 0.976 176 R CA -1.107 55.113 56.100 0.201 0.000 0.963 176 R CB 2.494 32.763 30.300 -0.053 0.000 1.150 176 R HN 0.241 8.511 8.270 -0.000 0.000 0.478 177 V N 2.903 122.905 119.914 0.147 0.000 2.450 177 V HA -0.095 4.021 4.120 -0.007 0.000 0.281 177 V C 1.534 177.585 176.094 -0.072 0.000 1.019 177 V CA 0.349 62.599 62.300 -0.083 0.000 1.062 177 V CB 0.497 32.255 31.823 -0.109 0.000 0.979 177 V HN 0.761 8.951 8.190 -0.000 0.000 0.477 178 N N 3.898 122.518 118.700 -0.133 0.000 2.166 178 N HA -0.145 4.591 4.740 -0.007 0.000 0.186 178 N C 1.766 177.251 175.510 -0.040 0.000 1.019 178 N CA 1.918 54.947 53.050 -0.036 0.000 0.856 178 N CB 0.088 38.537 38.487 -0.064 0.000 0.993 178 N HN 0.623 9.003 8.380 -0.000 0.000 0.426 179 S N -1.649 113.992 115.700 -0.098 0.000 2.561 179 S HA 0.070 4.536 4.470 -0.007 0.000 0.225 179 S C -0.185 174.381 174.600 -0.058 0.000 0.977 179 S CA 0.659 58.812 58.200 -0.077 0.000 0.926 179 S CB 0.215 63.352 63.200 -0.105 0.000 0.769 179 S HN 0.340 8.650 8.310 -0.000 0.000 0.533 180 T N 1.160 115.681 114.554 -0.055 0.000 3.318 180 T HA 0.258 4.604 4.350 -0.007 0.000 0.304 180 T C 0.332 175.008 174.700 -0.040 0.000 1.051 180 T CA -0.510 61.562 62.100 -0.046 0.000 1.546 180 T CB 0.719 69.553 68.868 -0.057 0.000 0.875 180 T HN 0.059 8.299 8.240 -0.000 0.000 0.578 181 R N 0.691 121.176 120.500 -0.025 0.000 2.323 181 R HA 0.132 4.468 4.340 -0.007 0.000 0.198 181 R C 2.194 178.415 176.300 -0.132 0.000 0.988 181 R CA 0.294 56.363 56.100 -0.052 0.000 1.041 181 R CB 0.081 30.414 30.300 0.056 0.000 0.926 181 R HN 0.551 8.821 8.270 -0.000 0.000 0.476 182 G N 0.232 108.983 108.800 -0.082 0.000 2.848 182 G HA2 0.022 3.978 3.960 -0.007 0.000 0.208 182 G HA3 0.022 3.978 3.960 -0.007 0.000 0.208 182 G C 0.372 175.228 174.900 -0.073 0.000 1.152 182 G CA 0.097 45.148 45.100 -0.082 0.000 0.789 182 G HN 0.069 8.359 8.290 -0.000 0.000 0.531 183 L N 0.135 121.320 121.223 -0.063 0.000 2.346 183 L HA 0.522 4.858 4.340 -0.007 0.000 0.276 183 L C -0.737 176.131 176.870 -0.004 0.000 1.006 183 L CA -0.912 53.912 54.840 -0.027 0.000 0.817 183 L CB 2.319 44.368 42.059 -0.016 0.000 1.272 183 L HN -0.129 8.101 8.230 -0.000 0.000 0.421 184 c N 1.857 120.470 118.600 0.022 0.000 2.563 184 c HA 0.465 5.031 4.570 -0.007 0.000 0.314 184 c C 0.273 174.418 174.090 0.091 0.000 1.199 184 c CA -0.735 55.628 56.329 0.056 0.000 1.564 184 c CB 2.182 44.715 42.510 0.039 0.000 2.173 184 c HN 0.481 8.711 8.230 -0.000 0.000 0.485 185 V N 3.778 123.742 119.914 0.084 0.000 2.529 185 V HA 0.292 4.408 4.120 -0.007 0.000 0.292 185 V C 0.440 176.680 176.094 0.244 0.000 1.028 185 V CA 0.958 63.261 62.300 0.004 0.000 1.074 185 V CB 0.657 32.250 31.823 -0.384 0.000 0.958 185 V HN 1.031 9.221 8.190 -0.000 0.000 0.481 186 T N 3.380 118.050 114.554 0.194 0.000 2.921 186 T HA 0.269 4.615 4.350 -0.007 0.000 0.297 186 T C -0.112 174.702 174.700 0.190 0.000 1.013 186 T CA -0.378 61.846 62.100 0.207 0.000 0.990 186 T CB 1.605 70.521 68.868 0.081 0.000 1.023 186 T HN 0.736 8.976 8.240 -0.000 0.000 0.447 187 T N 2.409 117.075 114.554 0.188 0.000 2.869 187 T HA 0.200 4.546 4.350 -0.007 0.000 0.295 187 T C 0.530 175.178 174.700 -0.087 0.000 0.987 187 T CA -0.447 61.699 62.100 0.076 0.000 1.109 187 T CB 0.072 68.984 68.868 0.074 0.000 0.932 187 T HN 0.466 8.706 8.240 -0.000 0.000 0.518 188 N N 3.200 121.862 118.700 -0.063 0.000 3.298 188 N HA 0.427 5.163 4.740 -0.007 0.000 0.292 188 N C 0.104 175.523 175.510 -0.151 0.000 1.271 188 N CA 0.649 53.642 53.050 -0.094 0.000 1.184 188 N CB -0.648 37.821 38.487 -0.031 0.000 1.452 188 N HN 1.079 9.459 8.380 -0.000 0.000 0.534 189 G N 0.705 109.311 108.800 -0.324 0.000 2.392 189 G HA2 -0.139 3.817 3.960 -0.007 0.000 0.677 189 G HA3 -0.139 3.817 3.960 -0.007 0.000 0.677 189 G C -0.621 173.984 174.900 -0.492 0.000 1.334 189 G CA -0.835 44.029 45.100 -0.393 0.000 0.961 189 G HN 0.272 8.562 8.290 -0.000 0.000 0.616 190 Y N 0.595 120.886 120.300 -0.015 0.000 2.555 190 Y HA 0.313 4.859 4.550 -0.007 0.000 0.259 190 Y C 1.253 177.139 175.900 -0.024 0.000 1.179 190 Y CA -0.577 57.503 58.100 -0.033 0.000 1.230 190 Y CB 0.514 38.945 38.460 -0.049 0.000 1.146 190 Y HN 0.373 8.653 8.280 -0.000 0.000 0.526 191 N N 0.104 118.849 118.700 0.075 0.000 2.466 191 N HA 0.083 4.819 4.740 -0.007 0.000 0.294 191 N C -0.262 175.278 175.510 0.050 0.000 1.129 191 N CA -0.369 52.713 53.050 0.054 0.000 0.931 191 N CB 1.562 40.073 38.487 0.041 0.000 1.193 191 N HN -0.077 8.303 8.380 -0.000 0.000 0.500 192 S N 0.501 116.219 115.700 0.029 0.000 2.563 192 S HA -0.055 4.411 4.470 -0.007 0.000 0.294 192 S C 0.519 175.201 174.600 0.137 0.000 1.279 192 S CA 0.623 58.856 58.200 0.054 0.000 1.069 192 S CB -0.205 62.957 63.200 -0.064 0.000 0.828 192 S HN 0.626 8.936 8.310 -0.000 0.000 0.497 193 K N 0.851 121.385 120.400 0.224 0.000 3.553 193 K HA -0.140 4.176 4.320 -0.007 0.000 0.303 193 K C -0.738 175.923 176.600 0.102 0.000 1.327 193 K CA 1.135 57.528 56.287 0.177 0.000 0.983 193 K CB -1.398 31.192 32.500 0.150 0.000 1.275 193 K HN 0.624 8.874 8.250 -0.000 0.000 0.453 194 D N 1.232 121.682 120.400 0.083 0.000 2.443 194 D HA 0.124 4.760 4.640 -0.007 0.000 0.239 194 D C 0.582 176.918 176.300 0.061 0.000 1.136 194 D CA 0.271 54.299 54.000 0.047 0.000 0.879 194 D CB 0.534 41.338 40.800 0.007 0.000 1.195 194 D HN 0.108 8.478 8.370 -0.000 0.000 0.443 195 L N 1.878 123.130 121.223 0.048 0.000 2.418 195 L HA 0.313 4.649 4.340 -0.007 0.000 0.265 195 L C 0.532 177.438 176.870 0.060 0.000 1.143 195 L CA -0.488 54.389 54.840 0.061 0.000 0.809 195 L CB 0.616 42.712 42.059 0.061 0.000 1.124 195 L HN 0.177 8.407 8.230 -0.000 0.000 0.456 196 I N 3.602 124.209 120.570 0.062 0.000 2.336 196 I HA 0.398 4.564 4.170 -0.007 0.000 0.292 196 I C 0.009 176.146 176.117 0.034 0.000 0.991 196 I CA -0.327 60.999 61.300 0.043 0.000 1.227 196 I CB 1.232 39.213 38.000 -0.032 0.000 1.366 196 I HN 0.514 8.724 8.210 -0.000 0.000 0.466 197 I N 3.633 124.224 120.570 0.034 0.000 3.457 197 I HA 0.593 4.759 4.170 -0.007 0.000 0.307 197 I C -1.250 174.882 176.117 0.027 0.000 1.138 197 I CA -1.084 60.236 61.300 0.034 0.000 0.974 197 I CB 2.236 40.261 38.000 0.041 0.000 1.324 197 I HN 0.165 8.375 8.210 -0.000 0.000 0.485 198 I N 2.994 123.579 120.570 0.025 0.000 2.354 198 I HA 0.558 4.724 4.170 -0.007 0.000 0.292 198 I C -0.662 175.468 176.117 0.023 0.000 0.989 198 I CA -0.361 60.959 61.300 0.034 0.000 1.188 198 I CB 1.370 39.386 38.000 0.026 0.000 1.342 198 I HN 0.455 8.665 8.210 -0.000 0.000 0.457 199 L N 5.829 127.068 121.223 0.026 0.000 2.393 199 L HA 0.452 4.787 4.340 -0.007 0.000 0.260 199 L C 0.004 176.877 176.870 0.005 0.000 1.002 199 L CA -0.731 54.116 54.840 0.013 0.000 0.818 199 L CB 1.779 43.846 42.059 0.013 0.000 1.369 199 L HN 0.503 8.733 8.230 -0.000 0.000 0.412 200 K N 2.089 122.487 120.400 -0.004 0.000 2.530 200 K HA 0.033 4.349 4.320 -0.007 0.000 0.280 200 K C -0.836 175.754 176.600 -0.017 0.000 1.004 200 K CA -0.117 56.162 56.287 -0.014 0.000 1.071 200 K CB 0.074 32.566 32.500 -0.013 0.000 0.876 200 K HN 0.702 8.952 8.250 -0.000 0.000 0.487 201 c N 4.776 123.356 118.600 -0.033 0.000 2.633 201 c HA 0.036 4.602 4.570 -0.007 0.000 0.415 201 c C 0.946 175.015 174.090 -0.034 0.000 1.393 201 c CA -0.119 56.185 56.329 -0.042 0.000 1.700 201 c CB -0.562 41.896 42.510 -0.086 0.000 2.541 201 c HN 0.865 9.095 8.230 -0.000 0.000 0.603 202 Q N 0.778 120.564 119.800 -0.025 0.000 2.093 202 Q HA 0.238 4.574 4.340 -0.007 0.000 0.217 202 Q C 1.396 177.384 176.000 -0.019 0.000 0.785 202 Q CA 0.492 56.284 55.803 -0.018 0.000 1.038 202 Q CB 0.882 29.615 28.738 -0.007 0.000 1.190 202 Q HN 1.137 9.407 8.270 -0.000 0.000 0.468 203 G N 1.113 109.894 108.800 -0.032 0.000 2.148 203 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.254 203 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.254 203 G C 0.094 174.976 174.900 -0.029 0.000 0.981 203 G CA 0.063 45.139 45.100 -0.041 0.000 0.670 203 G HN 0.253 8.543 8.290 -0.000 0.000 0.528 204 L N -0.312 120.904 121.223 -0.013 0.000 2.439 204 L HA 0.313 4.649 4.340 -0.007 0.000 0.261 204 L C -0.630 176.244 176.870 0.007 0.000 1.153 204 L CA -1.986 52.861 54.840 0.012 0.000 0.808 204 L CB 0.757 42.836 42.059 0.032 0.000 1.126 204 L HN -0.157 8.073 8.230 -0.000 0.000 0.460 205 P HA -0.141 4.279 4.420 -0.000 0.000 0.219 205 P C 1.312 178.639 177.300 0.044 0.000 1.146 205 P CA 1.029 64.145 63.100 0.026 0.000 0.808 205 P CB 0.129 31.822 31.700 -0.011 0.000 0.779 206 S N -1.556 114.228 115.700 0.140 0.000 2.555 206 S HA -0.078 4.388 4.470 -0.007 0.000 0.230 206 S C 1.496 176.007 174.600 -0.149 0.000 0.978 206 S CA 0.634 58.822 58.200 -0.021 0.000 0.934 206 S CB -0.802 62.313 63.200 -0.141 0.000 0.766 206 S HN 0.272 8.582 8.310 -0.000 0.000 0.533 207 Q N 0.036 119.756 119.800 -0.133 0.000 2.194 207 Q HA 0.317 4.653 4.340 -0.007 0.000 0.214 207 Q C 0.235 176.130 176.000 -0.175 0.000 0.838 207 Q CA -0.264 55.512 55.803 -0.045 0.000 0.972 207 Q CB 0.657 29.408 28.738 0.021 0.000 1.131 207 Q HN 0.455 8.725 8.270 -0.000 0.000 0.498 208 R N 0.216 120.454 120.500 -0.437 0.000 2.407 208 R HA 0.388 4.724 4.340 -0.007 0.000 0.303 208 R C -1.731 174.127 176.300 -0.737 0.000 0.981 208 R CA -0.100 55.782 56.100 -0.363 0.000 0.905 208 R CB 0.732 30.920 30.300 -0.187 0.000 1.099 208 R HN -0.064 8.206 8.270 -0.000 0.000 0.459 209 W N 4.306 125.613 121.300 0.011 0.000 3.033 209 W HA 0.438 5.094 4.660 -0.007 0.000 0.336 209 W C -1.351 175.223 176.519 0.092 0.000 1.173 209 W CA -0.742 56.575 57.345 -0.046 0.000 1.185 209 W CB 1.582 30.915 29.460 -0.212 0.000 1.425 209 W HN 0.345 8.525 8.180 -0.000 0.000 0.536 210 F N 2.675 122.680 119.950 0.092 0.000 2.562 210 F HA 0.581 5.104 4.527 -0.007 0.000 0.319 210 F C -1.669 174.142 175.800 0.018 0.000 1.154 210 F CA -2.478 55.583 58.000 0.102 0.000 0.931 210 F CB 0.553 39.593 39.000 0.067 0.000 1.198 210 F HN 0.151 8.451 8.300 -0.000 0.000 0.444 211 F N 6.616 126.385 119.950 -0.301 0.000 2.404 211 F HA 0.259 4.782 4.527 -0.007 0.000 0.359 211 F C 0.601 175.921 175.800 -0.801 0.000 1.134 211 F CA -0.507 57.253 58.000 -0.400 0.000 1.160 211 F CB 0.155 39.066 39.000 -0.149 0.000 1.186 211 F HN 0.550 8.850 8.300 -0.000 0.000 0.526 212 N N 0.151 118.426 118.700 -0.709 0.000 2.448 212 N HA 0.110 4.846 4.740 -0.007 0.000 0.274 212 N C 0.907 176.307 175.510 -0.184 0.000 1.239 212 N CA -0.217 52.419 53.050 -0.689 0.000 0.982 212 N CB 0.536 38.720 38.487 -0.506 0.000 1.199 212 N HN 0.337 8.717 8.380 -0.000 0.000 0.576 213 S N -1.804 113.862 115.700 -0.057 0.000 2.515 213 S HA -0.051 4.415 4.470 -0.007 0.000 0.231 213 S C 0.304 174.915 174.600 0.018 0.000 0.987 213 S CA 0.491 58.699 58.200 0.013 0.000 0.936 213 S CB -0.287 62.944 63.200 0.050 0.000 0.766 213 S HN 0.570 8.880 8.310 -0.000 0.000 0.528 214 D N 1.309 121.715 120.400 0.011 0.000 2.328 214 D HA 0.255 4.891 4.640 -0.007 0.000 0.226 214 D C 1.443 177.765 176.300 0.036 0.000 1.066 214 D CA 0.747 54.762 54.000 0.025 0.000 0.861 214 D CB 0.065 40.882 40.800 0.028 0.000 0.912 214 D HN 0.601 8.971 8.370 -0.000 0.000 0.521 215 G N 0.431 109.260 108.800 0.047 0.000 2.159 215 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.256 215 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.256 215 G C 0.521 175.517 174.900 0.159 0.000 0.977 215 G CA 0.214 45.374 45.100 0.100 0.000 0.652 215 G HN 0.607 8.897 8.290 -0.000 0.000 0.531 216 A N -0.380 122.495 122.820 0.093 0.000 2.279 216 A HA 0.821 5.137 4.320 -0.007 0.000 0.303 216 A C 0.199 177.751 177.584 -0.053 0.000 1.108 216 A CA -0.407 51.704 52.037 0.122 0.000 0.830 216 A CB 0.665 19.705 19.000 0.068 0.000 1.106 216 A HN 0.757 8.907 8.150 -0.000 0.000 0.493 217 I N 2.040 122.523 120.570 -0.146 0.000 2.359 217 I HA 0.296 4.461 4.170 -0.007 0.000 0.284 217 I C -0.804 175.249 176.117 -0.107 0.000 1.018 217 I CA -0.504 60.514 61.300 -0.470 0.000 1.173 217 I CB 1.441 38.857 38.000 -0.973 0.000 1.326 217 I HN 0.250 8.460 8.210 -0.000 0.000 0.462 218 V N 5.949 125.864 119.914 0.002 0.000 2.472 218 V HA 0.256 4.372 4.120 -0.007 0.000 0.290 218 V C 0.287 176.473 176.094 0.154 0.000 1.037 218 V CA -0.776 61.597 62.300 0.121 0.000 0.908 218 V CB 1.832 33.730 31.823 0.125 0.000 0.985 218 V HN 0.729 8.919 8.190 -0.000 0.000 0.454 219 N N 5.243 123.934 118.700 -0.015 0.000 2.462 219 N HA 0.233 4.969 4.740 -0.007 0.000 0.242 219 N C -2.038 173.315 175.510 -0.261 0.000 1.010 219 N CA -1.550 51.255 53.050 -0.409 0.000 0.939 219 N CB 2.270 40.416 38.487 -0.567 0.000 1.127 219 N HN 0.286 8.666 8.380 -0.000 0.000 0.509 220 P HA -0.136 4.284 4.420 -0.000 0.000 0.215 220 P C 1.180 178.114 177.300 -0.610 0.000 1.153 220 P CA 1.194 64.061 63.100 -0.388 0.000 0.853 220 P CB 0.323 31.821 31.700 -0.336 0.000 0.788 221 K N 0.631 120.757 120.400 -0.456 0.000 2.009 221 K HA -0.145 4.171 4.320 -0.007 0.000 0.210 221 K C 2.091 178.487 176.600 -0.339 0.000 1.049 221 K CA 2.528 58.566 56.287 -0.415 0.000 0.929 221 K CB -1.194 31.069 32.500 -0.396 0.000 0.714 221 K HN 0.150 8.400 8.250 -0.000 0.000 0.440 222 S N -0.526 115.050 115.700 -0.206 0.000 2.461 222 S HA -0.009 4.457 4.470 -0.007 0.000 0.228 222 S C 0.765 175.300 174.600 -0.109 0.000 1.005 222 S CA 0.720 58.866 58.200 -0.090 0.000 0.942 222 S CB -0.257 62.979 63.200 0.061 0.000 0.776 222 S HN 0.459 8.769 8.310 -0.000 0.000 0.514 223 R N -0.893 119.518 120.500 -0.148 0.000 3.653 223 R HA -0.104 4.232 4.340 -0.007 0.000 0.485 223 R C -0.454 175.820 176.300 -0.044 0.000 0.840 223 R CA 1.164 57.198 56.100 -0.109 0.000 1.409 223 R CB -2.247 27.994 30.300 -0.098 0.000 2.089 223 R HN 0.413 8.683 8.270 -0.000 0.000 0.482 224 L N 1.382 122.592 121.223 -0.021 0.000 2.439 224 L HA 0.625 4.961 4.340 -0.007 0.000 0.259 224 L C 0.952 177.881 176.870 0.098 0.000 1.129 224 L CA -0.883 53.975 54.840 0.029 0.000 0.803 224 L CB 1.047 43.128 42.059 0.037 0.000 1.161 224 L HN -0.026 8.204 8.230 -0.000 0.000 0.462 225 V N -1.334 118.666 119.914 0.143 0.000 3.046 225 V HA 0.490 4.606 4.120 -0.007 0.000 0.316 225 V C 0.014 176.228 176.094 0.200 0.000 1.104 225 V CA -1.113 61.291 62.300 0.173 0.000 1.006 225 V CB 1.998 33.907 31.823 0.144 0.000 1.058 225 V HN 0.677 8.867 8.190 -0.000 0.000 0.440 226 M N 3.200 122.867 119.600 0.110 0.000 2.248 226 M HA 0.289 4.765 4.480 -0.007 0.000 0.345 226 M C -0.462 176.043 176.300 0.341 0.000 1.243 226 M CA 0.819 56.139 55.300 0.033 0.000 1.090 226 M CB 0.020 32.295 32.600 -0.542 0.000 1.683 226 M HN 0.948 9.238 8.290 -0.000 0.000 0.450 227 D N 2.793 123.362 120.400 0.282 0.000 2.970 227 D HA 0.251 4.887 4.640 -0.007 0.000 0.230 227 D C -1.563 174.819 176.300 0.137 0.000 1.276 227 D CA -0.438 53.688 54.000 0.209 0.000 0.910 227 D CB 2.126 43.006 40.800 0.133 0.000 1.590 227 D HN 0.276 8.646 8.370 -0.000 0.000 0.551 228 V N 4.886 124.826 119.914 0.043 0.000 2.397 228 V HA 0.169 4.285 4.120 -0.007 0.000 0.262 228 V C 1.200 177.216 176.094 -0.130 0.000 1.047 228 V CA -0.271 62.023 62.300 -0.010 0.000 1.003 228 V CB 0.335 32.103 31.823 -0.093 0.000 1.037 228 V HN 0.437 8.627 8.190 -0.000 0.000 0.480 229 R N 5.086 125.544 120.500 -0.070 0.000 2.504 229 R HA 0.203 4.538 4.340 -0.007 0.000 0.291 229 R C 1.132 177.334 176.300 -0.163 0.000 0.974 229 R CA 0.808 56.831 56.100 -0.128 0.000 1.077 229 R CB -0.029 30.232 30.300 -0.064 0.000 0.926 229 R HN 1.155 9.425 8.270 -0.000 0.000 0.407 230 A N 3.140 125.821 122.820 -0.232 0.000 2.816 230 A HA -0.252 4.064 4.320 -0.007 0.000 0.270 230 A C 0.714 178.178 177.584 -0.200 0.000 1.413 230 A CA 1.230 53.146 52.037 -0.201 0.000 0.866 230 A CB -1.914 17.009 19.000 -0.129 0.000 1.032 230 A HN 1.136 9.286 8.150 -0.000 0.000 0.642 231 S N -1.514 114.000 115.700 -0.309 0.000 3.521 231 S HA -0.228 4.238 4.470 -0.007 0.000 0.362 231 S C -0.048 174.480 174.600 -0.120 0.000 1.044 231 S CA 1.188 59.114 58.200 -0.456 0.000 1.091 231 S CB -1.261 61.676 63.200 -0.438 0.000 0.908 231 S HN 1.576 9.886 8.310 -0.000 0.000 0.473 232 N N 0.777 119.440 118.700 -0.063 0.000 2.623 232 N HA 0.371 5.107 4.740 -0.007 0.000 0.256 232 N C 0.748 176.285 175.510 0.044 0.000 1.045 232 N CA -0.040 53.021 53.050 0.018 0.000 0.863 232 N CB 1.326 39.799 38.487 -0.024 0.000 1.182 232 N HN 0.162 8.542 8.380 -0.000 0.000 0.523 233 V N 1.146 121.128 119.914 0.114 0.000 2.626 233 V HA -0.059 4.057 4.120 -0.007 0.000 0.252 233 V C 1.624 177.736 176.094 0.029 0.000 1.067 233 V CA 1.473 63.840 62.300 0.111 0.000 1.081 233 V CB -0.638 31.270 31.823 0.142 0.000 0.686 233 V HN 0.424 8.614 8.190 -0.000 0.000 0.468 234 S N 1.026 116.725 115.700 -0.001 0.000 2.442 234 S HA 0.061 4.527 4.470 -0.007 0.000 0.236 234 S C 1.763 176.303 174.600 -0.100 0.000 1.007 234 S CA 1.701 59.869 58.200 -0.053 0.000 0.965 234 S CB -0.521 62.655 63.200 -0.040 0.000 0.773 234 S HN 0.643 8.953 8.310 -0.000 0.000 0.504 235 L N 0.639 121.817 121.223 -0.075 0.000 2.275 235 L HA 0.075 4.410 4.340 -0.007 0.000 0.215 235 L C 0.775 177.554 176.870 -0.152 0.000 1.119 235 L CA 0.474 55.257 54.840 -0.094 0.000 0.790 235 L CB -0.413 41.612 42.059 -0.056 0.000 0.919 235 L HN 0.224 8.454 8.230 -0.000 0.000 0.443 236 R N 0.841 121.247 120.500 -0.156 0.000 3.333 236 R HA -0.164 4.172 4.340 -0.007 0.000 0.256 236 R C -0.600 175.703 176.300 0.005 0.000 1.010 236 R CA 0.527 56.475 56.100 -0.254 0.000 0.680 236 R CB -1.908 27.795 30.300 -0.994 0.000 1.102 236 R HN 0.501 8.771 8.270 -0.000 0.000 0.440 237 E N 0.604 120.858 120.200 0.091 0.000 2.263 237 E HA 0.378 4.724 4.350 -0.007 0.000 0.268 237 E C -0.385 176.294 176.600 0.131 0.000 0.884 237 E CA -0.892 55.582 56.400 0.124 0.000 0.766 237 E CB 1.713 31.442 29.700 0.047 0.000 1.196 237 E HN 0.001 8.361 8.360 -0.000 0.000 0.416 238 I N 4.644 125.303 120.570 0.149 0.000 2.404 238 I HA 0.480 4.646 4.170 -0.007 0.000 0.293 238 I C 0.330 176.495 176.117 0.080 0.000 0.992 238 I CA -0.722 60.648 61.300 0.117 0.000 1.149 238 I CB 0.900 38.956 38.000 0.093 0.000 1.315 238 I HN 0.544 8.754 8.210 -0.000 0.000 0.446 239 I N 4.212 124.832 120.570 0.082 0.000 3.067 239 I HA 0.661 4.827 4.170 -0.007 0.000 0.312 239 I C -0.189 176.013 176.117 0.142 0.000 1.073 239 I CA -1.164 60.197 61.300 0.101 0.000 1.016 239 I CB 2.259 40.318 38.000 0.099 0.000 1.227 239 I HN 0.457 8.667 8.210 -0.000 0.000 0.456 240 I N 0.161 120.835 120.570 0.174 0.000 2.499 240 I HA 0.676 4.842 4.170 -0.007 0.000 0.296 240 I C -1.244 175.048 176.117 0.291 0.000 0.992 240 I CA -0.233 61.197 61.300 0.215 0.000 1.297 240 I CB 1.467 39.581 38.000 0.189 0.000 1.410 240 I HN 0.631 8.841 8.210 -0.000 0.000 0.507 241 F N 5.004 124.993 119.950 0.065 0.000 2.678 241 F HA 0.575 5.098 4.527 -0.007 0.000 0.308 241 F C -2.768 173.057 175.800 0.040 0.000 1.118 241 F CA -2.193 55.833 58.000 0.043 0.000 0.959 241 F CB 2.120 41.141 39.000 0.034 0.000 1.305 241 F HN 0.314 8.614 8.300 -0.000 0.000 0.443 242 P HA 0.202 4.622 4.420 -0.000 0.000 0.266 242 P C -1.202 176.101 177.300 0.004 0.000 1.195 242 P CA 0.012 62.980 63.100 -0.221 0.000 0.768 242 P CB 0.478 31.949 31.700 -0.382 0.000 0.838 243 A N 2.641 125.481 122.820 0.033 0.000 2.492 243 A HA 0.296 4.612 4.320 -0.007 0.000 0.254 243 A C 1.178 178.806 177.584 0.074 0.000 1.091 243 A CA 0.698 52.782 52.037 0.078 0.000 0.768 243 A CB -0.626 18.408 19.000 0.056 0.000 1.028 243 A HN 0.662 8.812 8.150 -0.000 0.000 0.498 244 T N -0.884 113.730 114.554 0.101 0.000 2.975 244 T HA 0.433 4.779 4.350 -0.007 0.000 0.261 244 T C 1.352 176.082 174.700 0.050 0.000 0.984 244 T CA 0.965 63.115 62.100 0.082 0.000 0.911 244 T CB 0.128 69.064 68.868 0.114 0.000 1.127 244 T HN 2.304 10.544 8.240 -0.000 0.000 0.514 245 G N 2.066 110.893 108.800 0.045 0.000 2.184 245 G HA2 -0.273 3.683 3.960 -0.007 0.000 0.264 245 G HA3 -0.273 3.683 3.960 -0.007 0.000 0.264 245 G C 0.004 174.907 174.900 0.006 0.000 0.975 245 G CA 0.030 45.145 45.100 0.025 0.000 0.642 245 G HN 0.612 8.902 8.290 -0.000 0.000 0.536 246 N N 0.765 119.464 118.700 -0.002 0.000 2.444 246 N HA 0.360 5.096 4.740 -0.007 0.000 0.255 246 N C -1.055 174.418 175.510 -0.063 0.000 1.255 246 N CA -1.405 51.627 53.050 -0.030 0.000 0.933 246 N CB 0.745 39.203 38.487 -0.049 0.000 1.143 246 N HN -0.024 8.356 8.380 -0.000 0.000 0.453 247 P HA -0.123 4.297 4.420 -0.000 0.000 0.217 247 P C 0.654 177.892 177.300 -0.102 0.000 1.148 247 P CA 1.175 64.270 63.100 -0.008 0.000 0.828 247 P CB 0.097 31.884 31.700 0.144 0.000 0.783 248 N N -0.734 117.765 118.700 -0.335 0.000 2.521 248 N HA -0.105 4.631 4.740 -0.007 0.000 0.188 248 N C 0.883 176.171 175.510 -0.371 0.000 1.146 248 N CA 0.682 53.382 53.050 -0.584 0.000 0.893 248 N CB -0.523 37.471 38.487 -0.822 0.000 0.975 248 N HN 0.301 8.681 8.380 -0.000 0.000 0.451 249 Q N -0.604 119.039 119.800 -0.261 0.000 2.139 249 Q HA 0.208 4.544 4.340 -0.007 0.000 0.219 249 Q C -0.469 175.399 176.000 -0.221 0.000 0.805 249 Q CA -0.265 55.480 55.803 -0.096 0.000 1.024 249 Q CB 0.871 29.649 28.738 0.067 0.000 1.163 249 Q HN 0.280 8.550 8.270 -0.000 0.000 0.485 250 Q N -0.057 119.456 119.800 -0.478 0.000 2.241 250 Q HA 0.314 4.650 4.340 -0.007 0.000 0.254 250 Q C -1.101 174.528 176.000 -0.619 0.000 0.917 250 Q CA 0.271 55.876 55.803 -0.331 0.000 0.919 250 Q CB 1.275 29.908 28.738 -0.175 0.000 1.237 250 Q HN 0.106 8.376 8.270 -0.000 0.000 0.434 251 W N 0.890 122.202 121.300 0.021 0.000 3.107 251 W HA 0.644 5.300 4.660 -0.007 0.000 0.331 251 W C -0.830 175.728 176.519 0.065 0.000 1.204 251 W CA -0.757 56.609 57.345 0.034 0.000 1.184 251 W CB 1.373 30.835 29.460 0.004 0.000 1.421 251 W HN 0.292 8.472 8.180 -0.000 0.000 0.544 252 V N 1.849 121.941 119.914 0.297 0.000 2.971 252 V HA 0.688 4.804 4.120 -0.007 0.000 0.309 252 V C -0.459 175.735 176.094 0.167 0.000 1.130 252 V CA -0.760 61.658 62.300 0.196 0.000 0.964 252 V CB 2.284 34.171 31.823 0.106 0.000 1.029 252 V HN 0.583 8.773 8.190 -0.000 0.000 0.427 253 T N 3.185 117.786 114.554 0.078 0.000 2.889 253 T HA 0.637 4.983 4.350 -0.007 0.000 0.291 253 T C -0.659 174.056 174.700 0.026 0.000 0.995 253 T CA -0.620 61.492 62.100 0.020 0.000 1.092 253 T CB 1.368 70.148 68.868 -0.146 0.000 0.954 253 T HN 0.640 8.880 8.240 -0.000 0.000 0.506 254 Q N 2.362 122.191 119.800 0.047 0.000 2.320 254 Q HA 0.347 4.683 4.340 -0.007 0.000 0.268 254 Q C -0.571 175.448 176.000 0.031 0.000 1.023 254 Q CA -0.624 55.201 55.803 0.036 0.000 0.744 254 Q CB 2.145 30.913 28.738 0.049 0.000 1.246 254 Q HN 0.672 8.942 8.270 -0.000 0.000 0.462 255 V N 3.849 123.769 119.914 0.010 0.000 2.694 255 V HA -0.027 4.089 4.120 -0.007 0.000 0.306 255 V C 0.711 176.812 176.094 0.012 0.000 1.054 255 V CA 0.483 62.786 62.300 0.006 0.000 1.161 255 V CB 0.126 31.945 31.823 -0.006 0.000 0.916 255 V HN 0.574 8.764 8.190 -0.000 0.000 0.490 256 L N 7.113 128.343 121.223 0.012 0.000 2.379 256 L HA 0.483 4.819 4.340 -0.007 0.000 0.269 256 L C -1.377 175.493 176.870 -0.000 0.000 1.084 256 L CA -1.470 53.374 54.840 0.007 0.000 0.802 256 L CB 1.063 43.125 42.059 0.005 0.000 1.175 256 L HN 0.585 8.815 8.230 -0.000 0.000 0.448 257 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 257 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 257 P CB 0.000 31.697 31.700 -0.004 0.000 0.726