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 3env_1_A DATA FIRST_RESID 2 DATA SEQUENCE TQDEMKKAAG WAALKYVEKG SIVGVGTGST VNHFIDALGT MSEEIKGAVS DATA SEQUENCE SSVASTEKLE ALGIKIFDCN EVASLDIYVD GADEINADRE MIKGGGAALT DATA SEQUENCE REKIVAAIAD KFICIVDGTK AVDVLGTFPL PVEVIPMARS YVARQLVKLG DATA SEQUENCE GDPCYREGVI TDNGNVILDV YGMKITNPKQ LEDQINAIPG VVTVGLFAHR DATA SEQUENCE GADVVITGTP EGAKIEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2 T C 0.000 174.708 174.700 0.013 0.000 1.109 2 T CA 0.000 62.106 62.100 0.011 0.000 1.349 2 T CB 0.000 68.872 68.868 0.006 0.000 0.612 3 Q N 0.009 119.817 119.800 0.014 0.000 2.522 3 Q HA 0.550 4.889 4.340 -0.003 0.000 0.285 3 Q C -1.282 174.729 176.000 0.018 0.000 0.982 3 Q CA -0.595 55.217 55.803 0.014 0.000 0.805 3 Q CB 1.047 29.786 28.738 0.003 0.000 1.457 3 Q HN -0.071 8.199 8.270 -0.000 0.000 0.394 4 D N 0.851 121.268 120.400 0.028 0.000 2.323 4 D HA -0.070 4.569 4.640 -0.003 0.000 0.209 4 D C 0.618 176.887 176.300 -0.053 0.000 0.973 4 D CA 0.811 54.846 54.000 0.059 0.000 0.874 4 D CB 0.531 41.396 40.800 0.107 0.000 0.930 4 D HN 0.704 9.074 8.370 -0.000 0.000 0.521 5 E N 0.204 120.364 120.200 -0.066 0.000 2.152 5 E HA -0.033 4.315 4.350 -0.003 0.000 0.192 5 E C 2.084 178.620 176.600 -0.107 0.000 0.983 5 E CA 0.353 56.683 56.400 -0.117 0.000 0.818 5 E CB 0.183 29.838 29.700 -0.075 0.000 0.758 5 E HN 0.136 8.496 8.360 -0.000 0.000 0.467 6 M N 0.162 119.729 119.600 -0.054 0.000 2.132 6 M HA -0.170 4.308 4.480 -0.003 0.000 0.263 6 M C 1.901 178.191 176.300 -0.017 0.000 1.065 6 M CA 1.442 56.726 55.300 -0.027 0.000 1.122 6 M CB 0.045 32.641 32.600 -0.006 0.000 1.365 6 M HN -0.059 8.231 8.290 -0.000 0.000 0.411 7 K N 0.054 120.449 120.400 -0.008 0.000 2.059 7 K HA -0.265 4.053 4.320 -0.003 0.000 0.212 7 K C 2.014 178.612 176.600 -0.003 0.000 1.050 7 K CA 1.764 58.086 56.287 0.058 0.000 0.927 7 K CB -0.333 32.282 32.500 0.192 0.000 0.714 7 K HN 0.288 8.538 8.250 -0.000 0.000 0.447 8 K N 0.620 120.818 120.400 -0.337 0.000 2.116 8 K HA -0.031 4.287 4.320 -0.003 0.000 0.203 8 K C 2.171 178.794 176.600 0.038 0.000 1.052 8 K CA 0.953 57.002 56.287 -0.397 0.000 0.952 8 K CB -0.042 31.998 32.500 -0.767 0.000 0.729 8 K HN 0.136 8.386 8.250 -0.000 0.000 0.446 9 A N 1.086 123.888 122.820 -0.029 0.000 1.978 9 A HA -0.106 4.212 4.320 -0.003 0.000 0.220 9 A C 2.239 179.897 177.584 0.123 0.000 1.170 9 A CA 1.846 53.907 52.037 0.039 0.000 0.636 9 A CB -0.594 18.402 19.000 -0.006 0.000 0.810 9 A HN 0.486 8.636 8.150 -0.000 0.000 0.448 10 A N -0.795 122.089 122.820 0.106 0.000 1.898 10 A HA 0.263 4.582 4.320 -0.003 0.000 0.214 10 A C 2.351 180.029 177.584 0.157 0.000 1.183 10 A CA 1.582 53.686 52.037 0.112 0.000 0.622 10 A CB -1.130 17.912 19.000 0.071 0.000 0.824 10 A HN 0.663 8.813 8.150 -0.000 0.000 0.444 11 G N -1.979 106.952 108.800 0.219 0.000 2.430 11 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.216 11 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.216 11 G C 1.271 176.357 174.900 0.310 0.000 1.146 11 G CA 0.642 45.891 45.100 0.249 0.000 0.793 11 G HN 0.594 8.884 8.290 -0.000 0.000 0.537 12 W N 1.003 122.419 121.300 0.192 0.000 2.425 12 W HA 0.229 4.888 4.660 -0.002 0.000 0.277 12 W C 2.772 179.376 176.519 0.141 0.000 1.231 12 W CA 0.870 58.311 57.345 0.159 0.000 1.248 12 W CB 0.126 29.628 29.460 0.071 0.000 1.117 12 W HN 0.253 8.433 8.180 -0.000 0.000 0.568 13 A N -0.191 122.803 122.820 0.290 0.000 1.975 13 A HA 0.154 4.472 4.320 -0.003 0.000 0.215 13 A C 2.043 179.718 177.584 0.151 0.000 1.170 13 A CA 1.350 53.496 52.037 0.182 0.000 0.656 13 A CB -1.018 18.065 19.000 0.139 0.000 0.821 13 A HN 0.100 8.250 8.150 -0.000 0.000 0.449 14 A N -0.215 122.727 122.820 0.203 0.000 2.076 14 A HA -0.065 4.253 4.320 -0.003 0.000 0.220 14 A C 1.968 179.733 177.584 0.301 0.000 1.160 14 A CA 1.563 53.764 52.037 0.273 0.000 0.653 14 A CB -0.561 18.359 19.000 -0.134 0.000 0.801 14 A HN 0.637 8.787 8.150 -0.000 0.000 0.455 15 L N 0.937 122.346 121.223 0.309 0.000 2.129 15 L HA -0.203 4.135 4.340 -0.003 0.000 0.212 15 L C 2.341 179.280 176.870 0.114 0.000 1.087 15 L CA 2.601 57.607 54.840 0.277 0.000 0.757 15 L CB -0.556 41.554 42.059 0.086 0.000 0.896 15 L HN 0.618 8.848 8.230 -0.000 0.000 0.434 16 K N -2.401 117.976 120.400 -0.039 0.000 2.574 16 K HA -0.190 4.129 4.320 -0.003 0.000 0.193 16 K C 1.075 177.525 176.600 -0.250 0.000 1.035 16 K CA 1.302 57.477 56.287 -0.186 0.000 0.982 16 K CB -0.448 31.865 32.500 -0.311 0.000 0.795 16 K HN 0.355 8.605 8.250 -0.000 0.000 0.491 17 Y N 1.012 121.346 120.300 0.056 0.000 2.478 17 Y HA 0.104 4.652 4.550 -0.002 0.000 0.261 17 Y C 1.095 177.019 175.900 0.041 0.000 1.127 17 Y CA -0.423 57.696 58.100 0.032 0.000 1.288 17 Y CB 0.617 39.074 38.460 -0.006 0.000 1.084 17 Y HN 0.012 8.292 8.280 -0.000 0.000 0.530 18 V N -0.331 119.694 119.914 0.185 0.000 2.716 18 V HA 0.473 4.592 4.120 -0.003 0.000 0.304 18 V C -0.233 175.905 176.094 0.074 0.000 1.053 18 V CA -0.566 61.813 62.300 0.132 0.000 0.984 18 V CB 1.929 33.843 31.823 0.151 0.000 1.021 18 V HN 0.145 8.335 8.190 -0.000 0.000 0.467 19 E N 2.422 122.655 120.200 0.055 0.000 2.449 19 E HA 0.490 4.838 4.350 -0.003 0.000 0.254 19 E C -1.130 175.484 176.600 0.022 0.000 0.907 19 E CA -1.192 55.229 56.400 0.034 0.000 0.840 19 E CB 1.835 31.555 29.700 0.033 0.000 1.459 19 E HN 0.726 9.086 8.360 -0.000 0.000 0.407 20 K N -0.035 120.374 120.400 0.016 0.000 2.270 20 K HA 0.337 4.655 4.320 -0.003 0.000 0.276 20 K C 0.619 177.224 176.600 0.008 0.000 1.023 20 K CA 0.299 56.592 56.287 0.011 0.000 0.955 20 K CB 0.588 33.094 32.500 0.010 0.000 0.975 20 K HN 0.808 9.058 8.250 -0.000 0.000 0.471 21 G N 1.162 109.967 108.800 0.008 0.000 2.203 21 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.263 21 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.263 21 G C 0.112 175.009 174.900 -0.005 0.000 1.012 21 G CA 0.886 45.990 45.100 0.006 0.000 0.749 21 G HN 0.750 9.040 8.290 -0.000 0.000 0.512 22 S N -1.258 114.439 115.700 -0.005 0.000 2.759 22 S HA 0.845 5.314 4.470 -0.003 0.000 0.310 22 S C -0.217 174.365 174.600 -0.029 0.000 1.123 22 S CA -1.043 57.143 58.200 -0.022 0.000 0.959 22 S CB 2.295 65.490 63.200 -0.008 0.000 1.172 22 S HN 0.599 8.909 8.310 -0.000 0.000 0.539 23 I N 1.894 122.429 120.570 -0.059 0.000 2.382 23 I HA 0.395 4.563 4.170 -0.003 0.000 0.286 23 I C -1.054 175.055 176.117 -0.013 0.000 1.002 23 I CA -0.915 60.341 61.300 -0.073 0.000 1.135 23 I CB 1.887 39.741 38.000 -0.244 0.000 1.288 23 I HN 0.422 8.632 8.210 -0.000 0.000 0.448 24 V N 4.939 124.874 119.914 0.035 0.000 2.481 24 V HA 0.486 4.604 4.120 -0.003 0.000 0.286 24 V C 0.804 176.956 176.094 0.097 0.000 1.042 24 V CA -0.664 61.680 62.300 0.074 0.000 0.928 24 V CB 1.483 33.372 31.823 0.109 0.000 0.986 24 V HN 0.862 9.052 8.190 -0.000 0.000 0.462 25 G N 3.199 112.067 108.800 0.112 0.000 2.355 25 G HA2 0.509 4.467 3.960 -0.003 0.000 0.276 25 G HA3 0.509 4.467 3.960 -0.003 0.000 0.276 25 G C -0.711 174.246 174.900 0.094 0.000 1.198 25 G CA -0.166 45.053 45.100 0.198 0.000 0.876 25 G HN 0.597 8.887 8.290 -0.000 0.000 0.478 26 V N 2.795 122.779 119.914 0.117 0.000 2.444 26 V HA 0.679 4.798 4.120 -0.003 0.000 0.294 26 V C 0.956 177.021 176.094 -0.048 0.000 1.022 26 V CA -0.182 62.110 62.300 -0.013 0.000 0.850 26 V CB 1.130 32.996 31.823 0.071 0.000 0.992 26 V HN 0.889 9.079 8.190 -0.000 0.000 0.426 27 G N 2.682 111.273 108.800 -0.349 0.000 2.928 27 G HA2 0.620 4.578 3.960 -0.003 0.000 0.163 27 G HA3 0.620 4.578 3.960 -0.003 0.000 0.163 27 G C -0.001 174.867 174.900 -0.054 0.000 1.573 27 G CA 0.428 45.419 45.100 -0.183 0.000 1.084 27 G HN 0.873 9.163 8.290 -0.000 0.000 0.569 28 T N -2.996 111.529 114.554 -0.049 0.000 2.840 28 T HA 0.634 4.982 4.350 -0.003 0.000 0.317 28 T C -0.490 174.192 174.700 -0.029 0.000 1.401 28 T CA 0.919 63.009 62.100 -0.017 0.000 1.028 28 T CB 1.331 70.208 68.868 0.016 0.000 1.317 28 T HN 2.403 10.643 8.240 -0.000 0.000 0.495 29 G N 1.147 109.933 108.800 -0.023 0.000 2.362 29 G HA2 0.263 4.221 3.960 -0.003 0.000 0.656 29 G HA3 0.263 4.221 3.960 -0.003 0.000 0.656 29 G C 0.699 175.584 174.900 -0.024 0.000 1.376 29 G CA 0.525 45.611 45.100 -0.023 0.000 0.971 29 G HN 1.776 10.066 8.290 -0.000 0.000 0.636 30 S N -0.964 114.730 115.700 -0.010 0.000 2.387 30 S HA -0.164 4.304 4.470 -0.003 0.000 0.230 30 S C 2.019 176.626 174.600 0.011 0.000 1.035 30 S CA 2.763 60.958 58.200 -0.009 0.000 1.014 30 S CB -0.388 62.839 63.200 0.045 0.000 0.836 30 S HN 1.109 9.419 8.310 -0.000 0.000 0.466 31 T N 1.234 115.832 114.554 0.073 0.000 3.031 31 T HA 0.215 4.563 4.350 -0.003 0.000 0.254 31 T C 1.835 176.620 174.700 0.141 0.000 1.060 31 T CA 0.693 62.898 62.100 0.176 0.000 1.135 31 T CB -0.139 68.789 68.868 0.100 0.000 0.896 31 T HN 0.298 8.538 8.240 -0.000 0.000 0.472 32 V N 2.743 122.685 119.914 0.047 0.000 2.667 32 V HA -0.124 3.995 4.120 -0.003 0.000 0.252 32 V C 2.430 178.566 176.094 0.071 0.000 1.065 32 V CA 1.035 63.374 62.300 0.066 0.000 1.083 32 V CB -0.641 31.179 31.823 -0.006 0.000 0.692 32 V HN 0.459 8.649 8.190 -0.000 0.000 0.468 33 N N 0.206 118.885 118.700 -0.035 0.000 2.036 33 N HA -0.212 4.526 4.740 -0.003 0.000 0.195 33 N C 1.772 177.232 175.510 -0.082 0.000 1.037 33 N CA 1.794 54.773 53.050 -0.117 0.000 0.855 33 N CB -0.421 37.915 38.487 -0.251 0.000 1.033 33 N HN 0.567 8.947 8.380 -0.000 0.000 0.423 34 H N -1.000 118.127 119.070 0.095 0.000 2.489 34 H HA -0.090 4.464 4.556 -0.003 0.000 0.293 34 H C 1.772 177.063 175.328 -0.062 0.000 1.066 34 H CA 0.602 56.747 56.048 0.161 0.000 1.305 34 H CB -0.350 29.582 29.762 0.283 0.000 1.386 34 H HN 0.277 8.557 8.280 -0.000 0.000 0.551 35 F N 1.249 121.141 119.950 -0.096 0.000 2.335 35 F HA 0.027 4.552 4.527 -0.003 0.000 0.296 35 F C 2.186 177.796 175.800 -0.316 0.000 1.091 35 F CA 0.376 58.210 58.000 -0.278 0.000 1.399 35 F CB -0.404 38.500 39.000 -0.160 0.000 1.067 35 F HN -0.076 8.224 8.300 -0.000 0.000 0.520 36 I N 0.398 120.782 120.570 -0.311 0.000 2.286 36 I HA -0.265 3.904 4.170 -0.003 0.000 0.248 36 I C 1.735 177.629 176.117 -0.371 0.000 1.115 36 I CA 1.401 62.481 61.300 -0.366 0.000 1.392 36 I CB -0.671 37.235 38.000 -0.156 0.000 1.065 36 I HN 0.036 8.246 8.210 -0.000 0.000 0.418 37 D N 1.087 121.329 120.400 -0.264 0.000 2.221 37 D HA -0.134 4.505 4.640 -0.003 0.000 0.204 37 D C 2.146 178.158 176.300 -0.480 0.000 0.982 37 D CA 1.376 55.291 54.000 -0.141 0.000 0.857 37 D CB 0.040 40.971 40.800 0.218 0.000 0.934 37 D HN 0.382 8.752 8.370 -0.000 0.000 0.475 38 A N -0.061 122.056 122.820 -1.171 0.000 1.935 38 A HA -0.005 4.313 4.320 -0.003 0.000 0.214 38 A C 1.975 179.052 177.584 -0.845 0.000 1.178 38 A CA 0.305 51.340 52.037 -1.671 0.000 0.640 38 A CB -0.491 17.436 19.000 -1.789 0.000 0.825 38 A HN 0.200 8.350 8.150 -0.000 0.000 0.447 39 L N 0.528 121.252 121.223 -0.832 0.000 2.187 39 L HA -0.058 4.280 4.340 -0.003 0.000 0.213 39 L C 2.327 179.005 176.870 -0.320 0.000 1.100 39 L CA 1.846 56.331 54.840 -0.593 0.000 0.765 39 L CB -0.964 40.684 42.059 -0.684 0.000 0.904 39 L HN 0.342 8.572 8.230 -0.000 0.000 0.437 40 G N -1.836 106.805 108.800 -0.264 0.000 2.418 40 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.217 40 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.217 40 G C 1.567 176.415 174.900 -0.086 0.000 1.158 40 G CA 1.289 46.306 45.100 -0.138 0.000 0.771 40 G HN 0.492 8.782 8.290 -0.000 0.000 0.545 41 T N -0.426 114.083 114.554 -0.075 0.000 2.778 41 T HA -0.132 4.216 4.350 -0.003 0.000 0.269 41 T C 1.724 176.411 174.700 -0.022 0.000 1.050 41 T CA 1.660 63.751 62.100 -0.014 0.000 1.137 41 T CB -0.387 68.507 68.868 0.044 0.000 0.860 41 T HN 0.465 8.705 8.240 -0.000 0.000 0.468 42 M N 1.052 120.619 119.600 -0.056 0.000 3.003 42 M HA 0.592 5.070 4.480 -0.003 0.000 0.221 42 M C 0.673 176.943 176.300 -0.051 0.000 1.126 42 M CA -0.665 54.610 55.300 -0.040 0.000 0.778 42 M CB 1.275 33.854 32.600 -0.035 0.000 1.380 42 M HN 0.162 8.452 8.290 -0.000 0.000 0.508 43 S N -0.692 114.983 115.700 -0.042 0.000 2.475 43 S HA 0.061 4.529 4.470 -0.003 0.000 0.224 43 S C 1.187 175.779 174.600 -0.013 0.000 1.042 43 S CA 0.390 58.569 58.200 -0.037 0.000 0.935 43 S CB -0.088 63.089 63.200 -0.039 0.000 0.801 43 S HN 0.617 8.927 8.310 -0.000 0.000 0.509 44 E N 2.664 122.859 120.200 -0.008 0.000 2.204 44 E HA -0.122 4.226 4.350 -0.003 0.000 0.195 44 E C 1.761 178.365 176.600 0.006 0.000 0.990 44 E CA 1.352 57.753 56.400 0.001 0.000 0.821 44 E CB -0.320 29.381 29.700 0.001 0.000 0.750 44 E HN 0.856 9.216 8.360 -0.000 0.000 0.477 45 E N -0.049 120.153 120.200 0.003 0.000 2.481 45 E HA 0.094 4.443 4.350 -0.003 0.000 0.198 45 E C 0.031 176.636 176.600 0.010 0.000 1.027 45 E CA -0.100 56.304 56.400 0.007 0.000 0.900 45 E CB 0.237 29.940 29.700 0.005 0.000 0.993 45 E HN 0.209 8.569 8.360 -0.000 0.000 0.482 46 I N 2.044 122.621 120.570 0.010 0.000 2.339 46 I HA 0.095 4.264 4.170 -0.003 0.000 0.290 46 I C 1.321 177.462 176.117 0.039 0.000 0.994 46 I CA -0.406 60.904 61.300 0.017 0.000 1.191 46 I CB 1.941 39.943 38.000 0.004 0.000 1.343 46 I HN -0.197 8.013 8.210 -0.000 0.000 0.458 47 K N 4.299 124.724 120.400 0.042 0.000 2.218 47 K HA 0.024 4.342 4.320 -0.003 0.000 0.205 47 K C 0.771 177.488 176.600 0.194 0.000 1.046 47 K CA 1.152 57.490 56.287 0.086 0.000 0.933 47 K CB 0.033 32.541 32.500 0.014 0.000 0.728 47 K HN 0.958 9.208 8.250 -0.000 0.000 0.454 48 G N -1.742 107.151 108.800 0.155 0.000 2.315 48 G HA2 0.294 4.253 3.960 -0.003 0.000 0.296 48 G HA3 0.294 4.253 3.960 -0.003 0.000 0.296 48 G C -1.727 173.287 174.900 0.190 0.000 1.289 48 G CA -0.514 44.710 45.100 0.207 0.000 0.996 48 G HN 0.342 8.632 8.290 -0.000 0.000 0.487 49 A N -1.411 121.541 122.820 0.221 0.000 2.423 49 A HA 0.914 5.232 4.320 -0.003 0.000 0.304 49 A C -0.640 177.058 177.584 0.189 0.000 1.104 49 A CA -0.396 51.733 52.037 0.154 0.000 0.757 49 A CB 2.114 21.167 19.000 0.089 0.000 1.313 49 A HN 1.820 9.970 8.150 -0.000 0.000 0.423 50 V N 1.047 121.044 119.914 0.139 0.000 2.513 50 V HA 0.749 4.867 4.120 -0.003 0.000 0.299 50 V C 0.340 176.514 176.094 0.133 0.000 1.035 50 V CA -0.053 62.327 62.300 0.133 0.000 0.889 50 V CB 1.557 33.439 31.823 0.098 0.000 0.988 50 V HN 1.091 9.281 8.190 -0.000 0.000 0.440 51 S N 2.302 118.075 115.700 0.121 0.000 2.661 51 S HA 0.546 5.014 4.470 -0.003 0.000 0.285 51 S C 0.427 175.102 174.600 0.124 0.000 1.138 51 S CA 0.162 58.446 58.200 0.139 0.000 0.855 51 S CB 2.238 65.496 63.200 0.097 0.000 1.136 51 S HN 0.941 9.251 8.310 -0.000 0.000 0.484 52 S N 0.639 116.431 115.700 0.154 0.000 2.650 52 S HA 0.408 4.876 4.470 -0.003 0.000 0.240 52 S C 0.096 174.757 174.600 0.101 0.000 1.007 52 S CA 0.011 58.288 58.200 0.128 0.000 0.984 52 S CB -0.031 63.283 63.200 0.190 0.000 0.910 52 S HN 0.899 9.209 8.310 -0.000 0.000 0.509 53 S N 0.039 115.788 115.700 0.083 0.000 2.546 53 S HA 0.490 4.959 4.470 -0.003 0.000 0.272 53 S C 0.824 175.449 174.600 0.043 0.000 1.140 53 S CA -0.539 57.697 58.200 0.060 0.000 0.920 53 S CB 1.439 64.672 63.200 0.054 0.000 1.083 53 S HN 0.017 8.327 8.310 -0.000 0.000 0.476 54 V N 4.329 124.264 119.914 0.035 0.000 2.282 54 V HA -0.172 3.946 4.120 -0.003 0.000 0.249 54 V C 2.867 178.971 176.094 0.017 0.000 1.057 54 V CA 2.690 65.005 62.300 0.024 0.000 1.032 54 V CB -1.412 30.425 31.823 0.023 0.000 0.645 54 V HN 0.955 9.145 8.190 -0.000 0.000 0.447 55 A N -0.461 122.368 122.820 0.015 0.000 1.897 55 A HA -0.143 4.175 4.320 -0.003 0.000 0.215 55 A C 2.460 180.044 177.584 0.000 0.000 1.181 55 A CA 1.936 53.976 52.037 0.006 0.000 0.620 55 A CB -0.584 18.418 19.000 0.003 0.000 0.821 55 A HN 0.518 8.668 8.150 -0.000 0.000 0.443 56 S N -0.218 115.486 115.700 0.005 0.000 2.368 56 S HA -0.125 4.343 4.470 -0.003 0.000 0.224 56 S C 2.043 176.645 174.600 0.003 0.000 1.029 56 S CA 1.719 59.920 58.200 0.001 0.000 0.988 56 S CB -0.638 62.570 63.200 0.014 0.000 0.838 56 S HN 0.665 8.975 8.310 -0.000 0.000 0.462 57 T N 2.417 116.980 114.554 0.014 0.000 2.635 57 T HA -0.150 4.198 4.350 -0.003 0.000 0.267 57 T C 1.692 176.393 174.700 0.002 0.000 1.040 57 T CA 1.507 63.616 62.100 0.014 0.000 1.156 57 T CB -0.385 68.495 68.868 0.020 0.000 0.863 57 T HN 0.507 8.747 8.240 -0.000 0.000 0.430 58 E N 0.167 120.366 120.200 -0.001 0.000 2.274 58 E HA -0.033 4.316 4.350 -0.003 0.000 0.194 58 E C 2.194 178.787 176.600 -0.011 0.000 0.996 58 E CA 0.592 56.989 56.400 -0.005 0.000 0.840 58 E CB 0.034 29.732 29.700 -0.003 0.000 0.772 58 E HN 0.372 8.732 8.360 -0.000 0.000 0.491 59 K N 0.545 120.936 120.400 -0.015 0.000 2.211 59 K HA 0.004 4.323 4.320 -0.003 0.000 0.201 59 K C 1.934 178.515 176.600 -0.032 0.000 1.052 59 K CA 0.235 56.508 56.287 -0.024 0.000 0.973 59 K CB 0.241 32.724 32.500 -0.029 0.000 0.766 59 K HN 0.051 8.301 8.250 -0.000 0.000 0.466 60 L N 1.095 122.300 121.223 -0.030 0.000 2.072 60 L HA -0.134 4.204 4.340 -0.003 0.000 0.205 60 L C 2.060 178.915 176.870 -0.025 0.000 1.079 60 L CA 1.364 56.184 54.840 -0.034 0.000 0.752 60 L CB -0.251 41.795 42.059 -0.021 0.000 0.906 60 L HN 0.199 8.429 8.230 -0.000 0.000 0.436 61 E N 0.249 120.438 120.200 -0.018 0.000 2.118 61 E HA -0.232 4.116 4.350 -0.003 0.000 0.195 61 E C 1.991 178.579 176.600 -0.019 0.000 0.992 61 E CA 1.258 57.647 56.400 -0.019 0.000 0.804 61 E CB -0.225 29.464 29.700 -0.018 0.000 0.741 61 E HN 0.496 8.856 8.360 -0.000 0.000 0.458 62 A N 0.297 123.106 122.820 -0.018 0.000 2.238 62 A HA 0.061 4.379 4.320 -0.003 0.000 0.208 62 A C 1.737 179.310 177.584 -0.017 0.000 1.177 62 A CA 0.353 52.380 52.037 -0.016 0.000 0.804 62 A CB -0.019 18.974 19.000 -0.013 0.000 0.823 62 A HN 0.159 8.309 8.150 -0.000 0.000 0.482 63 L N -1.791 119.419 121.223 -0.023 0.000 2.664 63 L HA 0.234 4.572 4.340 -0.003 0.000 0.233 63 L C 1.387 178.243 176.870 -0.023 0.000 1.113 63 L CA 0.610 55.433 54.840 -0.027 0.000 0.896 63 L CB 0.260 42.293 42.059 -0.043 0.000 1.163 63 L HN 0.549 8.779 8.230 -0.000 0.000 0.497 64 G N 1.870 110.658 108.800 -0.020 0.000 2.256 64 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.272 64 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.272 64 G C -0.122 174.769 174.900 -0.014 0.000 1.076 64 G CA -0.069 45.021 45.100 -0.017 0.000 0.882 64 G HN 0.288 8.578 8.290 -0.000 0.000 0.497 65 I N 0.454 121.015 120.570 -0.015 0.000 2.330 65 I HA 0.237 4.405 4.170 -0.003 0.000 0.286 65 I C 0.887 177.009 176.117 0.008 0.000 1.025 65 I CA -0.793 60.506 61.300 -0.001 0.000 1.197 65 I CB 1.182 39.175 38.000 -0.011 0.000 1.358 65 I HN 0.133 8.343 8.210 -0.000 0.000 0.467 66 K N 6.783 127.193 120.400 0.017 0.000 2.473 66 K HA 0.049 4.368 4.320 -0.003 0.000 0.277 66 K C -0.376 176.227 176.600 0.006 0.000 1.052 66 K CA 0.032 56.303 56.287 -0.027 0.000 1.114 66 K CB 0.395 32.882 32.500 -0.022 0.000 0.869 66 K HN 0.403 8.653 8.250 -0.000 0.000 0.481 67 I N 5.503 126.024 120.570 -0.082 0.000 2.440 67 I HA 0.259 4.428 4.170 -0.003 0.000 0.294 67 I C 0.165 176.175 176.117 -0.178 0.000 0.995 67 I CA -0.215 61.075 61.300 -0.017 0.000 1.306 67 I CB 0.442 38.436 38.000 -0.011 0.000 1.407 67 I HN 0.466 8.676 8.210 -0.000 0.000 0.501 68 F N 2.465 122.419 119.950 0.008 0.000 2.556 68 F HA 0.334 4.859 4.527 -0.003 0.000 0.327 68 F C 0.161 175.965 175.800 0.008 0.000 1.059 68 F CA -0.758 57.246 58.000 0.007 0.000 0.953 68 F CB 1.591 40.596 39.000 0.008 0.000 1.227 68 F HN 0.512 8.812 8.300 -0.000 0.000 0.478 69 D N -0.918 119.607 120.400 0.208 0.000 2.217 69 D HA 0.225 4.863 4.640 -0.003 0.000 0.248 69 D C 0.558 176.932 176.300 0.123 0.000 1.008 69 D CA -0.564 53.513 54.000 0.128 0.000 0.914 69 D CB 1.314 42.157 40.800 0.070 0.000 1.182 69 D HN 0.507 8.877 8.370 -0.000 0.000 0.451 70 C N 1.252 120.594 119.300 0.069 0.000 2.396 70 C HA -0.185 4.273 4.460 -0.003 0.000 0.277 70 C C 2.038 177.046 174.990 0.030 0.000 1.231 70 C CA 1.136 60.174 59.018 0.033 0.000 1.775 70 C CB -1.687 26.057 27.740 0.008 0.000 2.036 70 C HN 0.742 8.972 8.230 -0.000 0.000 0.484 71 N N 0.028 118.751 118.700 0.038 0.000 2.381 71 N HA -0.119 4.619 4.740 -0.003 0.000 0.182 71 N C 1.466 177.004 175.510 0.046 0.000 1.025 71 N CA 0.640 53.709 53.050 0.032 0.000 0.888 71 N CB -0.128 38.374 38.487 0.026 0.000 0.965 71 N HN 0.615 8.995 8.380 -0.000 0.000 0.438 72 E N 0.265 120.515 120.200 0.083 0.000 2.427 72 E HA -0.017 4.331 4.350 -0.003 0.000 0.196 72 E C 0.037 176.664 176.600 0.046 0.000 1.028 72 E CA 0.133 56.601 56.400 0.113 0.000 0.864 72 E CB 0.493 30.359 29.700 0.276 0.000 0.813 72 E HN 0.197 8.557 8.360 -0.000 0.000 0.514 73 V N -4.075 115.842 119.914 0.006 0.000 3.001 73 V HA 0.735 4.853 4.120 -0.003 0.000 0.314 73 V C 0.241 176.314 176.094 -0.035 0.000 1.099 73 V CA -0.305 61.965 62.300 -0.050 0.000 0.989 73 V CB 1.830 33.594 31.823 -0.099 0.000 1.040 73 V HN -0.145 8.045 8.190 -0.000 0.000 0.434 74 A N 2.189 124.983 122.820 -0.042 0.000 2.197 74 A HA 0.718 5.036 4.320 -0.003 0.000 0.210 74 A C 0.993 178.557 177.584 -0.032 0.000 1.180 74 A CA 0.777 52.796 52.037 -0.030 0.000 0.846 74 A CB -0.323 18.662 19.000 -0.025 0.000 0.884 74 A HN 2.012 10.162 8.150 -0.000 0.000 0.487 75 S N -1.629 114.046 115.700 -0.042 0.000 2.611 75 S HA 0.708 5.177 4.470 -0.003 0.000 0.268 75 S C -1.445 173.127 174.600 -0.047 0.000 1.156 75 S CA -0.811 57.367 58.200 -0.037 0.000 0.817 75 S CB 0.608 63.792 63.200 -0.027 0.000 1.122 75 S HN 0.405 8.715 8.310 -0.000 0.000 0.466 76 L N 1.273 122.477 121.223 -0.031 0.000 2.431 76 L HA 0.542 4.880 4.340 -0.003 0.000 0.266 76 L C -0.171 176.696 176.870 -0.005 0.000 0.978 76 L CA -1.060 53.766 54.840 -0.023 0.000 0.822 76 L CB 1.826 43.882 42.059 -0.006 0.000 1.310 76 L HN 0.609 8.839 8.230 -0.000 0.000 0.409 77 D N 2.015 122.415 120.400 0.000 0.000 2.092 77 D HA -0.021 4.617 4.640 -0.003 0.000 0.193 77 D C 0.437 176.750 176.300 0.021 0.000 0.994 77 D CA 1.916 55.924 54.000 0.014 0.000 0.828 77 D CB 0.183 40.996 40.800 0.020 0.000 0.963 77 D HN 0.550 8.920 8.370 -0.000 0.000 0.450 78 I N -4.536 116.050 120.570 0.026 0.000 2.865 78 I HA 0.496 4.664 4.170 -0.003 0.000 0.302 78 I C -1.535 174.603 176.117 0.036 0.000 1.140 78 I CA -1.363 59.944 61.300 0.012 0.000 1.021 78 I CB 2.525 40.511 38.000 -0.023 0.000 1.233 78 I HN -0.281 7.929 8.210 -0.000 0.000 0.427 79 Y N 4.599 124.773 120.300 -0.210 0.000 2.326 79 Y HA 0.692 5.240 4.550 -0.002 0.000 0.331 79 Y C -1.128 174.472 175.900 -0.500 0.000 0.962 79 Y CA -0.906 56.984 58.100 -0.349 0.000 1.167 79 Y CB 1.601 39.780 38.460 -0.468 0.000 1.148 79 Y HN 0.462 8.742 8.280 -0.000 0.000 0.463 80 V N 5.867 125.313 119.914 -0.779 0.000 2.383 80 V HA 0.529 4.647 4.120 -0.003 0.000 0.275 80 V C -0.517 174.995 176.094 -0.970 0.000 1.036 80 V CA -0.361 61.444 62.300 -0.824 0.000 0.889 80 V CB 1.101 32.354 31.823 -0.951 0.000 0.985 80 V HN 0.778 8.968 8.190 -0.000 0.000 0.459 81 D N 2.167 122.132 120.400 -0.724 0.000 2.671 81 D HA 0.628 5.266 4.640 -0.003 0.000 0.273 81 D C 0.147 176.355 176.300 -0.153 0.000 1.264 81 D CA 0.258 53.963 54.000 -0.492 0.000 0.788 81 D CB 2.252 42.659 40.800 -0.655 0.000 1.324 81 D HN 0.642 9.012 8.370 -0.000 0.000 0.424 82 G N -0.581 108.174 108.800 -0.076 0.000 2.782 82 G HA2 0.847 4.805 3.960 -0.003 0.000 0.201 82 G HA3 0.847 4.805 3.960 -0.003 0.000 0.201 82 G C -0.916 173.964 174.900 -0.033 0.000 1.374 82 G CA 0.078 45.161 45.100 -0.027 0.000 1.039 82 G HN 0.714 9.004 8.290 -0.000 0.000 0.576 83 A N -2.121 120.636 122.820 -0.105 0.000 2.588 83 A HA 0.648 4.966 4.320 -0.003 0.000 0.290 83 A C -0.121 177.324 177.584 -0.233 0.000 1.136 83 A CA -0.216 51.715 52.037 -0.178 0.000 0.681 83 A CB 0.962 19.854 19.000 -0.179 0.000 1.282 83 A HN 0.341 8.491 8.150 -0.000 0.000 0.421 84 D N -0.022 120.188 120.400 -0.318 0.000 2.338 84 D HA 0.163 4.802 4.640 -0.003 0.000 0.224 84 D C 0.009 176.084 176.300 -0.374 0.000 0.967 84 D CA 1.136 54.812 54.000 -0.541 0.000 0.896 84 D CB 0.488 40.729 40.800 -0.932 0.000 1.028 84 D HN 0.632 9.002 8.370 -0.000 0.000 0.493 85 E N -0.188 119.881 120.200 -0.218 0.000 2.367 85 E HA 0.631 4.979 4.350 -0.003 0.000 0.273 85 E C -1.044 175.496 176.600 -0.101 0.000 0.903 85 E CA -0.624 55.710 56.400 -0.110 0.000 0.764 85 E CB 3.321 33.006 29.700 -0.024 0.000 1.252 85 E HN -0.084 8.276 8.360 -0.000 0.000 0.446 86 I N 2.129 122.653 120.570 -0.077 0.000 2.692 86 I HA 0.303 4.471 4.170 -0.003 0.000 0.293 86 I C -1.587 174.498 176.117 -0.053 0.000 1.200 86 I CA -0.583 60.669 61.300 -0.081 0.000 1.036 86 I CB 1.671 39.609 38.000 -0.104 0.000 1.258 86 I HN 0.632 8.842 8.210 -0.000 0.000 0.421 87 N N 5.564 124.235 118.700 -0.049 0.000 2.671 87 N HA 0.521 5.259 4.740 -0.003 0.000 0.303 87 N C 0.526 176.014 175.510 -0.036 0.000 1.277 87 N CA -0.136 52.894 53.050 -0.033 0.000 0.933 87 N CB 0.828 39.301 38.487 -0.024 0.000 1.190 87 N HN 0.549 8.929 8.380 -0.000 0.000 0.600 88 A N -1.107 121.696 122.820 -0.027 0.000 2.070 88 A HA -0.140 4.178 4.320 -0.003 0.000 0.220 88 A C 1.354 178.918 177.584 -0.032 0.000 1.159 88 A CA 1.769 53.791 52.037 -0.026 0.000 0.656 88 A CB -0.914 18.075 19.000 -0.019 0.000 0.800 88 A HN 0.777 8.927 8.150 -0.000 0.000 0.453 89 D N -1.773 118.606 120.400 -0.036 0.000 2.340 89 D HA 0.069 4.708 4.640 -0.003 0.000 0.220 89 D C 0.763 177.030 176.300 -0.055 0.000 1.039 89 D CA 0.084 54.059 54.000 -0.042 0.000 0.866 89 D CB -0.149 40.626 40.800 -0.042 0.000 0.913 89 D HN 0.325 8.695 8.370 -0.000 0.000 0.523 90 R N -0.788 119.674 120.500 -0.063 0.000 3.862 90 R HA -0.134 4.204 4.340 -0.003 0.000 0.398 90 R C -0.666 175.567 176.300 -0.111 0.000 1.110 90 R CA 0.709 56.756 56.100 -0.089 0.000 1.010 90 R CB -1.789 28.459 30.300 -0.086 0.000 1.613 90 R HN 0.311 8.581 8.270 -0.000 0.000 0.530 91 E N 0.398 120.550 120.200 -0.080 0.000 2.343 91 E HA 0.452 4.800 4.350 -0.003 0.000 0.269 91 E C -0.016 176.543 176.600 -0.068 0.000 1.047 91 E CA -0.015 56.347 56.400 -0.063 0.000 0.874 91 E CB 1.010 30.690 29.700 -0.034 0.000 1.033 91 E HN 0.071 8.431 8.360 -0.000 0.000 0.409 92 M N 2.067 121.635 119.600 -0.055 0.000 2.518 92 M HA 0.416 4.894 4.480 -0.003 0.000 0.300 92 M C -0.866 175.409 176.300 -0.041 0.000 1.175 92 M CA -0.635 54.601 55.300 -0.105 0.000 0.890 92 M CB 2.135 34.587 32.600 -0.247 0.000 1.710 92 M HN 0.350 8.640 8.290 -0.000 0.000 0.453 93 I N 2.691 123.229 120.570 -0.053 0.000 2.315 93 I HA 0.332 4.500 4.170 -0.003 0.000 0.291 93 I C -0.496 175.551 176.117 -0.116 0.000 1.006 93 I CA -0.205 61.097 61.300 0.004 0.000 1.265 93 I CB 0.760 38.816 38.000 0.094 0.000 1.387 93 I HN 0.551 8.761 8.210 -0.000 0.000 0.475 94 K N 3.853 124.161 120.400 -0.154 0.000 2.375 94 K HA 0.608 4.927 4.320 -0.003 0.000 0.249 94 K C 0.247 176.844 176.600 -0.004 0.000 0.942 94 K CA -0.536 55.589 56.287 -0.270 0.000 0.806 94 K CB 2.068 34.017 32.500 -0.919 0.000 1.227 94 K HN 0.763 9.013 8.250 -0.000 0.000 0.430 95 G N 0.893 109.705 108.800 0.020 0.000 2.131 95 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.223 95 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.223 95 G C 0.710 175.695 174.900 0.142 0.000 0.990 95 G CA 0.088 45.253 45.100 0.108 0.000 0.671 95 G HN 0.824 9.114 8.290 -0.000 0.000 0.521 96 G N -0.053 108.870 108.800 0.205 0.000 2.443 96 G HA2 0.315 4.274 3.960 -0.003 0.000 0.219 96 G HA3 0.315 4.274 3.960 -0.003 0.000 0.219 96 G C 1.394 176.415 174.900 0.203 0.000 1.131 96 G CA 1.620 46.900 45.100 0.300 0.000 0.775 96 G HN 1.500 9.790 8.290 -0.000 0.000 0.547 97 G N -1.232 107.646 108.800 0.131 0.000 3.104 97 G HA2 0.602 4.561 3.960 -0.003 0.000 0.237 97 G HA3 0.602 4.561 3.960 -0.003 0.000 0.237 97 G C 0.263 175.203 174.900 0.067 0.000 1.035 97 G CA 1.074 46.229 45.100 0.091 0.000 0.844 97 G HN 0.713 9.003 8.290 -0.000 0.000 0.531 98 A N -0.323 122.539 122.820 0.071 0.000 2.566 98 A HA 0.835 5.154 4.320 -0.003 0.000 0.291 98 A C -0.559 177.076 177.584 0.085 0.000 1.278 98 A CA -0.028 52.050 52.037 0.068 0.000 0.711 98 A CB 0.368 19.403 19.000 0.058 0.000 1.332 98 A HN 0.979 9.129 8.150 -0.000 0.000 0.478 99 A N 0.307 123.180 122.820 0.089 0.000 2.671 99 A HA 0.449 4.768 4.320 -0.003 0.000 0.306 99 A C 1.016 178.673 177.584 0.122 0.000 1.473 99 A CA -0.132 51.961 52.037 0.093 0.000 1.155 99 A CB -0.785 18.262 19.000 0.078 0.000 1.123 99 A HN 1.741 9.891 8.150 -0.000 0.000 0.545 100 L N 3.581 124.884 121.223 0.133 0.000 2.021 100 L HA -0.180 4.159 4.340 -0.003 0.000 0.215 100 L C 2.153 179.129 176.870 0.176 0.000 1.074 100 L CA 3.082 58.035 54.840 0.187 0.000 0.760 100 L CB -1.175 40.980 42.059 0.160 0.000 0.889 100 L HN 0.579 8.809 8.230 -0.000 0.000 0.433 101 T N 0.102 114.716 114.554 0.101 0.000 2.701 101 T HA -0.148 4.200 4.350 -0.003 0.000 0.263 101 T C 1.854 176.580 174.700 0.044 0.000 1.040 101 T CA 1.834 63.966 62.100 0.054 0.000 1.147 101 T CB -0.171 68.716 68.868 0.033 0.000 0.865 101 T HN 0.466 8.706 8.240 -0.000 0.000 0.426 102 R N 1.387 121.920 120.500 0.055 0.000 2.096 102 R HA -0.046 4.293 4.340 -0.003 0.000 0.235 102 R C 2.417 178.738 176.300 0.034 0.000 1.127 102 R CA 1.331 57.453 56.100 0.038 0.000 0.968 102 R CB -0.332 29.996 30.300 0.047 0.000 0.861 102 R HN 0.526 8.796 8.270 -0.000 0.000 0.440 103 E N 1.288 121.561 120.200 0.121 0.000 2.058 103 E HA -0.209 4.139 4.350 -0.003 0.000 0.194 103 E C 1.945 178.632 176.600 0.146 0.000 0.997 103 E CA 1.128 57.636 56.400 0.179 0.000 0.801 103 E CB -0.085 29.831 29.700 0.361 0.000 0.746 103 E HN 0.272 8.632 8.360 -0.000 0.000 0.450 104 K N 0.574 121.079 120.400 0.176 0.000 2.211 104 K HA -0.100 4.218 4.320 -0.003 0.000 0.203 104 K C 2.015 178.528 176.600 -0.146 0.000 1.050 104 K CA 0.705 56.919 56.287 -0.122 0.000 0.945 104 K CB 0.053 32.294 32.500 -0.431 0.000 0.732 104 K HN 0.065 8.315 8.250 -0.000 0.000 0.451 105 I N -0.113 120.395 120.570 -0.102 0.000 2.406 105 I HA -0.212 3.956 4.170 -0.003 0.000 0.249 105 I C 1.914 177.936 176.117 -0.158 0.000 1.122 105 I CA 0.601 61.835 61.300 -0.110 0.000 1.431 105 I CB 0.095 38.054 38.000 -0.067 0.000 1.087 105 I HN -0.078 8.132 8.210 -0.000 0.000 0.424 106 V N 0.887 120.652 119.914 -0.248 0.000 2.379 106 V HA -0.194 3.924 4.120 -0.003 0.000 0.245 106 V C 2.721 178.495 176.094 -0.532 0.000 1.044 106 V CA 1.674 63.748 62.300 -0.376 0.000 1.036 106 V CB -1.046 30.536 31.823 -0.400 0.000 0.664 106 V HN 0.457 8.647 8.190 -0.000 0.000 0.453 107 A N 0.230 122.629 122.820 -0.702 0.000 2.032 107 A HA -0.189 4.129 4.320 -0.003 0.000 0.221 107 A C 2.327 179.874 177.584 -0.061 0.000 1.165 107 A CA 2.259 54.112 52.037 -0.307 0.000 0.645 107 A CB -0.599 18.463 19.000 0.102 0.000 0.807 107 A HN 0.600 8.750 8.150 -0.000 0.000 0.453 108 A N -0.847 121.914 122.820 -0.099 0.000 2.021 108 A HA 0.182 4.500 4.320 -0.003 0.000 0.216 108 A C 1.968 179.522 177.584 -0.051 0.000 1.163 108 A CA 1.133 53.133 52.037 -0.060 0.000 0.676 108 A CB -0.349 18.602 19.000 -0.081 0.000 0.818 108 A HN 0.464 8.614 8.150 -0.000 0.000 0.453 109 I N -0.132 120.394 120.570 -0.075 0.000 2.716 109 I HA 0.027 4.196 4.170 -0.003 0.000 0.259 109 I C 1.431 177.525 176.117 -0.038 0.000 1.172 109 I CA 0.303 61.571 61.300 -0.054 0.000 1.478 109 I CB -0.013 37.953 38.000 -0.057 0.000 1.104 109 I HN 0.258 8.468 8.210 -0.000 0.000 0.439 110 A N 0.779 123.573 122.820 -0.044 0.000 2.409 110 A HA 0.064 4.383 4.320 -0.003 0.000 0.262 110 A C 0.607 178.207 177.584 0.027 0.000 1.113 110 A CA -0.244 51.789 52.037 -0.006 0.000 0.790 110 A CB 0.179 19.181 19.000 0.003 0.000 1.046 110 A HN 0.142 8.292 8.150 -0.000 0.000 0.496 111 D N 0.705 121.121 120.400 0.026 0.000 2.149 111 D HA 0.009 4.647 4.640 -0.003 0.000 0.201 111 D C 0.105 176.437 176.300 0.053 0.000 0.972 111 D CA 1.526 55.545 54.000 0.032 0.000 0.835 111 D CB 0.223 41.035 40.800 0.020 0.000 0.966 111 D HN 0.337 8.707 8.370 -0.000 0.000 0.476 112 K N 0.364 120.798 120.400 0.057 0.000 2.507 112 K HA 0.249 4.567 4.320 -0.003 0.000 0.252 112 K C -1.207 175.455 176.600 0.103 0.000 0.943 112 K CA -0.778 55.543 56.287 0.057 0.000 0.808 112 K CB 1.845 34.342 32.500 -0.005 0.000 1.142 112 K HN -0.113 8.137 8.250 -0.000 0.000 0.426 113 F N 3.449 123.390 119.950 -0.015 0.000 2.420 113 F HA 0.481 5.006 4.527 -0.003 0.000 0.342 113 F C -0.523 175.218 175.800 -0.099 0.000 1.113 113 F CA -1.560 56.453 58.000 0.020 0.000 1.059 113 F CB 0.687 39.742 39.000 0.091 0.000 1.128 113 F HN 0.353 8.653 8.300 -0.000 0.000 0.475 114 I N 6.647 127.342 120.570 0.207 0.000 2.464 114 I HA 0.183 4.351 4.170 -0.003 0.000 0.277 114 I C -0.703 175.452 176.117 0.064 0.000 1.040 114 I CA -0.187 61.098 61.300 -0.025 0.000 1.153 114 I CB 1.054 38.848 38.000 -0.343 0.000 1.274 114 I HN 0.569 8.779 8.210 -0.000 0.000 0.469 115 C N 8.366 127.765 119.300 0.165 0.000 2.464 115 C HA 0.544 5.002 4.460 -0.003 0.000 0.370 115 C C 0.477 175.464 174.990 -0.005 0.000 1.267 115 C CA -0.610 58.481 59.018 0.122 0.000 1.781 115 C CB -1.365 26.387 27.740 0.020 0.000 2.431 115 C HN 0.650 8.880 8.230 -0.000 0.000 0.556 116 I N 5.478 126.028 120.570 -0.034 0.000 2.362 116 I HA 0.857 5.025 4.170 -0.003 0.000 0.289 116 I C -0.632 175.473 176.117 -0.021 0.000 0.994 116 I CA -0.330 60.948 61.300 -0.038 0.000 1.158 116 I CB 1.230 39.189 38.000 -0.068 0.000 1.315 116 I HN 0.289 8.499 8.210 -0.000 0.000 0.451 117 V N 4.349 124.258 119.914 -0.009 0.000 3.147 117 V HA 0.375 4.494 4.120 -0.003 0.000 0.306 117 V C -1.133 174.959 176.094 -0.004 0.000 1.209 117 V CA -0.390 61.900 62.300 -0.017 0.000 1.023 117 V CB 2.775 34.577 31.823 -0.034 0.000 1.059 117 V HN 1.028 9.218 8.190 -0.000 0.000 0.435 118 D N 1.107 121.501 120.400 -0.009 0.000 2.442 118 D HA 0.422 5.060 4.640 -0.003 0.000 0.254 118 D C 1.342 177.637 176.300 -0.009 0.000 1.069 118 D CA 0.180 54.179 54.000 -0.002 0.000 1.017 118 D CB 1.411 42.214 40.800 0.005 0.000 1.172 118 D HN 0.617 8.987 8.370 -0.000 0.000 0.561 119 G N -0.870 107.928 108.800 -0.003 0.000 2.581 119 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.223 119 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.223 119 G C 1.192 176.088 174.900 -0.007 0.000 1.094 119 G CA 1.357 46.455 45.100 -0.004 0.000 0.736 119 G HN 0.573 8.863 8.290 -0.000 0.000 0.588 120 T N 0.196 114.744 114.554 -0.010 0.000 3.113 120 T HA 0.070 4.419 4.350 -0.003 0.000 0.256 120 T C 2.112 176.796 174.700 -0.027 0.000 1.131 120 T CA 0.622 62.715 62.100 -0.011 0.000 1.074 120 T CB 0.028 68.890 68.868 -0.008 0.000 0.944 120 T HN 0.220 8.460 8.240 -0.000 0.000 0.516 121 K N 1.386 121.763 120.400 -0.037 0.000 2.356 121 K HA 0.325 4.644 4.320 -0.003 0.000 0.195 121 K C 0.943 177.515 176.600 -0.045 0.000 1.037 121 K CA 0.012 56.264 56.287 -0.057 0.000 1.014 121 K CB 0.123 32.573 32.500 -0.082 0.000 0.815 121 K HN 0.250 8.500 8.250 -0.000 0.000 0.507 122 A N 2.606 125.408 122.820 -0.030 0.000 2.404 122 A HA 0.368 4.686 4.320 -0.003 0.000 0.273 122 A C 0.486 178.062 177.584 -0.014 0.000 1.144 122 A CA -0.431 51.591 52.037 -0.025 0.000 0.806 122 A CB -0.013 18.976 19.000 -0.019 0.000 1.080 122 A HN 0.062 8.212 8.150 -0.000 0.000 0.509 123 V N 0.356 120.262 119.914 -0.013 0.000 3.182 123 V HA 0.659 4.777 4.120 -0.003 0.000 0.311 123 V C 0.366 176.458 176.094 -0.004 0.000 1.221 123 V CA 0.104 62.404 62.300 -0.001 0.000 1.060 123 V CB 1.742 33.571 31.823 0.010 0.000 1.164 123 V HN 0.751 8.941 8.190 -0.000 0.000 0.466 124 D N -0.677 119.724 120.400 0.002 0.000 2.615 124 D HA 0.232 4.870 4.640 -0.003 0.000 0.259 124 D C 0.162 176.462 176.300 0.001 0.000 0.999 124 D CA 0.701 54.700 54.000 -0.001 0.000 0.938 124 D CB 0.650 41.450 40.800 0.000 0.000 1.121 124 D HN 0.467 8.837 8.370 -0.000 0.000 0.487 125 V N 2.810 122.729 119.914 0.008 0.000 2.357 125 V HA 0.333 4.452 4.120 -0.003 0.000 0.284 125 V C -0.005 176.101 176.094 0.019 0.000 1.018 125 V CA -0.775 61.532 62.300 0.011 0.000 0.841 125 V CB 1.341 33.172 31.823 0.012 0.000 0.991 125 V HN 0.116 8.306 8.190 -0.000 0.000 0.437 126 L N 4.181 125.415 121.223 0.018 0.000 2.461 126 L HA 0.603 4.941 4.340 -0.003 0.000 0.272 126 L C 1.332 178.224 176.870 0.037 0.000 1.197 126 L CA 0.842 55.700 54.840 0.030 0.000 0.836 126 L CB 0.149 42.224 42.059 0.027 0.000 1.105 126 L HN 0.916 9.146 8.230 -0.000 0.000 0.477 127 G N 0.592 109.425 108.800 0.054 0.000 2.559 127 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.202 127 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.202 127 G C 0.656 175.585 174.900 0.048 0.000 0.992 127 G CA 0.156 45.282 45.100 0.043 0.000 0.764 127 G HN 0.579 8.869 8.290 -0.000 0.000 0.525 128 T N 0.584 115.186 114.554 0.080 0.000 2.735 128 T HA 0.177 4.526 4.350 -0.003 0.000 0.256 128 T C 0.967 175.724 174.700 0.096 0.000 1.042 128 T CA 0.792 62.949 62.100 0.096 0.000 1.147 128 T CB -0.089 68.840 68.868 0.101 0.000 0.865 128 T HN 0.339 8.579 8.240 -0.000 0.000 0.421 129 F N 5.186 125.143 119.950 0.013 0.000 2.578 129 F HA 0.207 4.732 4.527 -0.003 0.000 0.381 129 F C -1.999 173.736 175.800 -0.107 0.000 1.069 129 F CA -2.820 55.170 58.000 -0.015 0.000 1.231 129 F CB 0.339 39.328 39.000 -0.017 0.000 1.086 129 F HN 0.007 8.307 8.300 -0.000 0.000 0.564 130 P HA -0.068 4.352 4.420 -0.000 0.000 0.266 130 P C -0.905 176.110 177.300 -0.475 0.000 1.193 130 P CA -0.135 62.375 63.100 -0.984 0.000 0.770 130 P CB 0.879 31.729 31.700 -1.416 0.000 0.836 131 L N 5.671 126.711 121.223 -0.305 0.000 2.255 131 L HA 0.480 4.818 4.340 -0.003 0.000 0.289 131 L C -2.550 174.278 176.870 -0.070 0.000 1.046 131 L CA -2.660 52.126 54.840 -0.089 0.000 0.816 131 L CB 0.692 42.723 42.059 -0.047 0.000 1.197 131 L HN 0.157 8.387 8.230 -0.000 0.000 0.427 132 P HA 0.285 4.705 4.420 -0.000 0.000 0.280 132 P C -1.294 176.034 177.300 0.048 0.000 1.244 132 P CA -0.210 62.909 63.100 0.031 0.000 0.784 132 P CB 1.294 33.045 31.700 0.084 0.000 0.913 133 V N 2.678 122.611 119.914 0.032 0.000 2.577 133 V HA 0.326 4.444 4.120 -0.003 0.000 0.303 133 V C 0.002 176.114 176.094 0.030 0.000 1.042 133 V CA -0.655 61.662 62.300 0.028 0.000 0.872 133 V CB 1.835 33.663 31.823 0.008 0.000 0.998 133 V HN 0.522 8.712 8.190 -0.000 0.000 0.423 134 E N 3.408 123.627 120.200 0.031 0.000 2.191 134 E HA 0.729 5.077 4.350 -0.003 0.000 0.278 134 E C -1.699 174.909 176.600 0.014 0.000 0.972 134 E CA -0.401 56.017 56.400 0.029 0.000 0.804 134 E CB 1.953 31.675 29.700 0.036 0.000 1.110 134 E HN 0.480 8.840 8.360 -0.000 0.000 0.394 135 V N 5.205 125.121 119.914 0.003 0.000 2.808 135 V HA 0.259 4.377 4.120 -0.003 0.000 0.308 135 V C -0.290 175.795 176.094 -0.016 0.000 1.099 135 V CA -1.026 61.269 62.300 -0.007 0.000 0.920 135 V CB 1.765 33.574 31.823 -0.023 0.000 1.014 135 V HN 0.675 8.865 8.190 -0.000 0.000 0.425 136 I N 5.353 125.919 120.570 -0.007 0.000 2.618 136 I HA 0.152 4.321 4.170 -0.003 0.000 0.284 136 I C -1.207 174.894 176.117 -0.027 0.000 1.146 136 I CA -1.865 59.428 61.300 -0.012 0.000 1.425 136 I CB 0.706 38.702 38.000 -0.007 0.000 1.383 136 I HN 0.441 8.651 8.210 -0.000 0.000 0.562 137 P HA -0.149 4.271 4.420 -0.000 0.000 0.220 137 P C 1.739 179.009 177.300 -0.050 0.000 1.148 137 P CA 1.331 64.394 63.100 -0.062 0.000 0.803 137 P CB 0.027 31.700 31.700 -0.044 0.000 0.782 138 M N -2.649 116.934 119.600 -0.028 0.000 2.557 138 M HA 0.171 4.650 4.480 -0.003 0.000 0.259 138 M C 1.530 177.822 176.300 -0.012 0.000 1.086 138 M CA 1.829 57.117 55.300 -0.021 0.000 1.096 138 M CB -0.514 32.074 32.600 -0.020 0.000 1.424 138 M HN -0.189 8.101 8.290 -0.000 0.000 0.488 139 A N 0.491 123.310 122.820 -0.002 0.000 2.423 139 A HA 0.233 4.552 4.320 -0.003 0.000 0.246 139 A C 2.077 179.695 177.584 0.057 0.000 1.278 139 A CA -0.281 51.786 52.037 0.050 0.000 0.903 139 A CB -0.528 18.514 19.000 0.070 0.000 0.997 139 A HN 0.578 8.728 8.150 -0.000 0.000 0.510 140 R N 0.636 121.123 120.500 -0.022 0.000 2.092 140 R HA -0.125 4.213 4.340 -0.003 0.000 0.231 140 R C 2.207 178.483 176.300 -0.039 0.000 1.119 140 R CA 1.961 58.014 56.100 -0.077 0.000 0.970 140 R CB -0.059 30.111 30.300 -0.216 0.000 0.864 140 R HN 0.607 8.877 8.270 -0.000 0.000 0.440 141 S N -0.860 114.839 115.700 -0.002 0.000 2.446 141 S HA -0.139 4.329 4.470 -0.003 0.000 0.225 141 S C 1.810 176.429 174.600 0.030 0.000 1.016 141 S CA 0.378 58.585 58.200 0.012 0.000 0.943 141 S CB -0.475 62.740 63.200 0.025 0.000 0.786 141 S HN 0.537 8.847 8.310 -0.000 0.000 0.508 142 Y N 2.760 123.044 120.300 -0.026 0.000 2.070 142 Y HA -0.110 4.438 4.550 -0.004 0.000 0.279 142 Y C 2.287 178.176 175.900 -0.018 0.000 1.134 142 Y CA 1.887 59.975 58.100 -0.019 0.000 1.113 142 Y CB -0.707 37.740 38.460 -0.020 0.000 0.981 142 Y HN 0.097 8.377 8.280 -0.000 0.000 0.487 143 V N 1.145 120.978 119.914 -0.136 0.000 2.392 143 V HA -0.366 3.752 4.120 -0.003 0.000 0.249 143 V C 2.679 178.643 176.094 -0.216 0.000 1.059 143 V CA 1.865 64.023 62.300 -0.237 0.000 1.051 143 V CB -1.670 30.135 31.823 -0.029 0.000 0.658 143 V HN 0.645 8.835 8.190 -0.000 0.000 0.455 144 A N -0.203 122.542 122.820 -0.125 0.000 1.972 144 A HA -0.196 4.123 4.320 -0.003 0.000 0.219 144 A C 2.381 179.902 177.584 -0.105 0.000 1.169 144 A CA 1.555 53.540 52.037 -0.086 0.000 0.635 144 A CB -0.438 18.542 19.000 -0.034 0.000 0.810 144 A HN 0.532 8.682 8.150 -0.000 0.000 0.446 145 R N -0.966 119.446 120.500 -0.147 0.000 2.115 145 R HA -0.073 4.265 4.340 -0.003 0.000 0.226 145 R C 2.211 178.414 176.300 -0.161 0.000 1.100 145 R CA 1.142 57.166 56.100 -0.126 0.000 0.980 145 R CB -0.179 30.061 30.300 -0.101 0.000 0.875 145 R HN 0.482 8.752 8.270 -0.000 0.000 0.445 146 Q N 0.762 120.395 119.800 -0.278 0.000 2.119 146 Q HA -0.057 4.281 4.340 -0.003 0.000 0.201 146 Q C 2.279 178.197 176.000 -0.136 0.000 0.972 146 Q CA 1.158 56.815 55.803 -0.243 0.000 0.847 146 Q CB -0.164 28.352 28.738 -0.371 0.000 0.903 146 Q HN 0.374 8.644 8.270 -0.000 0.000 0.433 147 L N -0.158 120.993 121.223 -0.121 0.000 2.079 147 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 147 L C 2.407 179.252 176.870 -0.042 0.000 1.081 147 L CA 0.782 55.582 54.840 -0.066 0.000 0.752 147 L CB -0.644 41.383 42.059 -0.052 0.000 0.896 147 L HN 0.025 8.255 8.230 -0.000 0.000 0.433 148 V N -0.082 119.806 119.914 -0.044 0.000 2.270 148 V HA -0.272 3.847 4.120 -0.003 0.000 0.245 148 V C 2.518 178.597 176.094 -0.025 0.000 1.043 148 V CA 1.710 63.995 62.300 -0.025 0.000 1.014 148 V CB -0.530 31.278 31.823 -0.024 0.000 0.645 148 V HN 0.435 8.625 8.190 -0.000 0.000 0.447 149 K N 0.250 120.628 120.400 -0.037 0.000 2.074 149 K HA -0.164 4.154 4.320 -0.003 0.000 0.209 149 K C 1.744 178.332 176.600 -0.021 0.000 1.048 149 K CA 1.402 57.672 56.287 -0.028 0.000 0.926 149 K CB -0.479 31.999 32.500 -0.037 0.000 0.713 149 K HN 0.395 8.646 8.250 -0.000 0.000 0.444 150 L N 0.477 121.686 121.223 -0.025 0.000 2.693 150 L HA 0.083 4.422 4.340 -0.003 0.000 0.242 150 L C 0.909 177.775 176.870 -0.007 0.000 1.157 150 L CA 0.284 55.115 54.840 -0.015 0.000 0.929 150 L CB -0.437 41.611 42.059 -0.019 0.000 1.103 150 L HN 0.391 8.621 8.230 -0.000 0.000 0.430 151 G N -0.110 108.687 108.800 -0.005 0.000 2.149 151 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.235 151 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.235 151 G C 0.343 175.248 174.900 0.009 0.000 1.018 151 G CA -0.156 44.945 45.100 0.003 0.000 0.728 151 G HN 0.560 8.850 8.290 -0.000 0.000 0.508 152 G N -0.743 108.061 108.800 0.005 0.000 2.400 152 G HA2 0.548 4.506 3.960 -0.003 0.000 0.333 152 G HA3 0.548 4.506 3.960 -0.003 0.000 0.333 152 G C -1.066 173.849 174.900 0.026 0.000 1.143 152 G CA 0.038 45.146 45.100 0.013 0.000 0.914 152 G HN 0.262 8.552 8.290 -0.000 0.000 0.480 153 D N 1.976 122.410 120.400 0.057 0.000 2.438 153 D HA 0.367 5.005 4.640 -0.003 0.000 0.257 153 D C -2.293 174.081 176.300 0.122 0.000 1.148 153 D CA -1.864 52.183 54.000 0.078 0.000 0.902 153 D CB 2.004 42.850 40.800 0.078 0.000 1.062 153 D HN 0.133 8.503 8.370 -0.000 0.000 0.518 154 P HA 0.243 4.663 4.420 -0.000 0.000 0.282 154 P C -0.665 176.706 177.300 0.119 0.000 1.249 154 P CA -0.596 62.548 63.100 0.075 0.000 0.806 154 P CB 1.645 33.363 31.700 0.030 0.000 0.984 155 C N 4.952 124.342 119.300 0.150 0.000 2.522 155 C HA 0.310 4.769 4.460 -0.003 0.000 0.344 155 C C -0.615 174.496 174.990 0.202 0.000 1.104 155 C CA -0.711 58.414 59.018 0.179 0.000 1.317 155 C CB -0.651 27.237 27.740 0.247 0.000 1.896 155 C HN 0.621 8.851 8.230 -0.000 0.000 0.443 156 Y N 5.112 125.438 120.300 0.043 0.000 2.729 156 Y HA 0.202 4.751 4.550 -0.002 0.000 0.331 156 Y C 0.912 176.835 175.900 0.037 0.000 1.208 156 Y CA 0.658 58.779 58.100 0.033 0.000 1.521 156 Y CB 0.296 38.772 38.460 0.027 0.000 1.233 156 Y HN 0.733 9.013 8.280 -0.000 0.000 0.539 157 R N 6.393 127.029 120.500 0.227 0.000 2.609 157 R HA 0.071 4.409 4.340 -0.003 0.000 0.271 157 R C -0.244 175.935 176.300 -0.202 0.000 1.403 157 R CA -0.084 56.032 56.100 0.026 0.000 1.138 157 R CB -0.230 30.129 30.300 0.098 0.000 1.142 157 R HN 0.750 9.020 8.270 -0.000 0.000 0.559 158 E N 0.596 120.505 120.200 -0.485 0.000 2.366 158 E HA 0.107 4.455 4.350 -0.003 0.000 0.266 158 E C 0.788 177.234 176.600 -0.255 0.000 1.051 158 E CA 0.709 56.698 56.400 -0.686 0.000 0.884 158 E CB 1.160 30.497 29.700 -0.605 0.000 1.006 158 E HN 0.839 9.199 8.360 -0.000 0.000 0.417 159 G N 0.834 109.541 108.800 -0.155 0.000 2.195 159 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.246 159 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.246 159 G C 0.165 175.065 174.900 0.000 0.000 0.984 159 G CA 0.306 45.376 45.100 -0.050 0.000 0.633 159 G HN 0.638 8.928 8.290 -0.000 0.000 0.525 160 V N -1.353 118.576 119.914 0.026 0.000 3.182 160 V HA 0.950 5.068 4.120 -0.003 0.000 0.308 160 V C -0.042 176.112 176.094 0.101 0.000 1.240 160 V CA -0.698 61.636 62.300 0.056 0.000 1.063 160 V CB 2.265 34.116 31.823 0.047 0.000 1.076 160 V HN 1.382 9.572 8.190 -0.000 0.000 0.446 161 I N -1.676 118.943 120.570 0.083 0.000 3.149 161 I HA 0.727 4.895 4.170 -0.003 0.000 0.310 161 I C -0.093 176.062 176.117 0.063 0.000 1.343 161 I CA -0.302 61.047 61.300 0.082 0.000 0.955 161 I CB 1.772 39.813 38.000 0.069 0.000 1.309 161 I HN 0.930 9.140 8.210 -0.000 0.000 0.478 162 T N -1.632 112.956 114.554 0.056 0.000 2.770 162 T HA 0.173 4.522 4.350 -0.003 0.000 0.281 162 T C 0.784 175.508 174.700 0.040 0.000 0.981 162 T CA 0.331 62.460 62.100 0.049 0.000 0.955 162 T CB 0.647 69.543 68.868 0.047 0.000 1.060 162 T HN 0.755 8.995 8.240 -0.000 0.000 0.531 163 D N 0.046 120.467 120.400 0.036 0.000 2.221 163 D HA -0.174 4.465 4.640 -0.003 0.000 0.204 163 D C 1.257 177.572 176.300 0.025 0.000 0.982 163 D CA 1.162 55.180 54.000 0.029 0.000 0.857 163 D CB -0.743 40.073 40.800 0.027 0.000 0.934 163 D HN 0.756 9.126 8.370 -0.000 0.000 0.475 164 N N -0.211 118.504 118.700 0.024 0.000 2.336 164 N HA 0.162 4.900 4.740 -0.003 0.000 0.189 164 N C 1.083 176.605 175.510 0.019 0.000 1.113 164 N CA 0.477 53.539 53.050 0.019 0.000 0.858 164 N CB 0.839 39.336 38.487 0.016 0.000 0.970 164 N HN 0.392 8.772 8.380 -0.000 0.000 0.471 165 G N 1.087 109.901 108.800 0.025 0.000 2.141 165 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.231 165 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.231 165 G C -0.269 174.646 174.900 0.024 0.000 0.984 165 G CA -0.464 44.651 45.100 0.025 0.000 0.660 165 G HN 0.293 8.583 8.290 -0.000 0.000 0.525 166 N N -0.110 118.606 118.700 0.025 0.000 2.482 166 N HA 0.634 5.372 4.740 -0.003 0.000 0.279 166 N C 0.696 176.226 175.510 0.034 0.000 1.182 166 N CA 0.254 53.315 53.050 0.019 0.000 0.969 166 N CB 2.044 40.540 38.487 0.014 0.000 1.201 166 N HN 0.709 9.089 8.380 -0.000 0.000 0.523 167 V N -1.556 118.364 119.914 0.010 0.000 3.109 167 V HA 0.566 4.684 4.120 -0.003 0.000 0.317 167 V C -0.011 176.115 176.094 0.054 0.000 1.074 167 V CA -0.725 61.597 62.300 0.035 0.000 1.033 167 V CB 1.117 32.856 31.823 -0.139 0.000 1.111 167 V HN 0.347 8.537 8.190 -0.000 0.000 0.458 168 I N 2.538 123.191 120.570 0.137 0.000 2.404 168 I HA 0.492 4.660 4.170 -0.003 0.000 0.293 168 I C -0.404 175.794 176.117 0.135 0.000 0.992 168 I CA -0.620 60.749 61.300 0.115 0.000 1.149 168 I CB 1.363 39.428 38.000 0.108 0.000 1.315 168 I HN 0.581 8.791 8.210 -0.000 0.000 0.446 169 L N 5.412 126.675 121.223 0.067 0.000 2.280 169 L HA 0.402 4.740 4.340 -0.003 0.000 0.287 169 L C -0.365 176.516 176.870 0.018 0.000 1.023 169 L CA -0.535 54.343 54.840 0.062 0.000 0.819 169 L CB 1.209 43.281 42.059 0.021 0.000 1.212 169 L HN 0.407 8.637 8.230 -0.000 0.000 0.420 170 D N 3.661 124.065 120.400 0.006 0.000 2.359 170 D HA 0.234 4.872 4.640 -0.003 0.000 0.230 170 D C -0.376 175.794 176.300 -0.216 0.000 1.118 170 D CA -0.123 53.789 54.000 -0.145 0.000 0.844 170 D CB 2.421 43.115 40.800 -0.176 0.000 1.059 170 D HN 0.069 8.439 8.370 -0.000 0.000 0.493 171 V N 4.070 123.832 119.914 -0.254 0.000 2.364 171 V HA 0.226 4.344 4.120 -0.003 0.000 0.272 171 V C -0.185 175.763 176.094 -0.244 0.000 1.036 171 V CA -0.527 61.683 62.300 -0.149 0.000 0.880 171 V CB -0.163 31.620 31.823 -0.067 0.000 0.991 171 V HN 0.361 8.551 8.190 -0.000 0.000 0.460 172 Y N 1.641 121.915 120.300 -0.044 0.000 2.565 172 Y HA 0.652 5.200 4.550 -0.002 0.000 0.325 172 Y C 1.582 177.466 175.900 -0.027 0.000 1.221 172 Y CA 0.288 58.360 58.100 -0.047 0.000 1.316 172 Y CB 1.111 39.539 38.460 -0.054 0.000 1.404 172 Y HN 0.714 8.994 8.280 -0.000 0.000 0.527 173 G N 0.209 109.111 108.800 0.170 0.000 2.175 173 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.265 173 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.265 173 G C -0.102 174.828 174.900 0.051 0.000 0.979 173 G CA 0.211 45.361 45.100 0.084 0.000 0.663 173 G HN 0.347 8.637 8.290 -0.000 0.000 0.533 174 M N 0.040 119.665 119.600 0.042 0.000 2.314 174 M HA 0.386 4.864 4.480 -0.003 0.000 0.342 174 M C 0.083 176.398 176.300 0.024 0.000 1.171 174 M CA -0.191 55.124 55.300 0.025 0.000 1.098 174 M CB 1.311 33.919 32.600 0.013 0.000 1.559 174 M HN -0.104 8.186 8.290 -0.000 0.000 0.459 175 K N 4.455 124.867 120.400 0.019 0.000 2.478 175 K HA 0.473 4.791 4.320 -0.003 0.000 0.236 175 K C -0.861 175.748 176.600 0.015 0.000 1.021 175 K CA -0.120 56.178 56.287 0.018 0.000 1.010 175 K CB 0.588 33.097 32.500 0.016 0.000 1.331 175 K HN 0.680 8.930 8.250 -0.000 0.000 0.470 176 I N 2.864 123.444 120.570 0.017 0.000 2.241 176 I HA 0.008 4.176 4.170 -0.003 0.000 0.294 176 I C 1.283 177.406 176.117 0.011 0.000 1.145 176 I CA -0.142 61.167 61.300 0.015 0.000 1.261 176 I CB 0.247 38.259 38.000 0.020 0.000 1.475 176 I HN 0.475 8.685 8.210 -0.000 0.000 0.533 177 T N 0.010 114.569 114.554 0.007 0.000 3.040 177 T HA 0.062 4.410 4.350 -0.003 0.000 0.252 177 T C 0.943 175.642 174.700 -0.002 0.000 1.064 177 T CA 0.099 62.200 62.100 0.002 0.000 1.110 177 T CB 0.018 68.888 68.868 0.002 0.000 0.921 177 T HN 0.326 8.566 8.240 -0.000 0.000 0.480 178 N N 2.387 121.088 118.700 0.001 0.000 2.707 178 N HA 0.369 5.107 4.740 -0.003 0.000 0.235 178 N C -2.394 173.119 175.510 0.005 0.000 1.028 178 N CA -2.317 50.732 53.050 -0.002 0.000 0.906 178 N CB 1.840 40.327 38.487 -0.000 0.000 1.131 178 N HN -0.003 8.377 8.380 -0.000 0.000 0.509 179 P HA -0.039 4.381 4.420 -0.000 0.000 0.214 179 P C 1.002 178.320 177.300 0.030 0.000 1.162 179 P CA 1.297 64.406 63.100 0.016 0.000 0.874 179 P CB 0.546 32.252 31.700 0.011 0.000 0.784 180 K N -0.246 120.153 120.400 -0.001 0.000 2.089 180 K HA -0.258 4.061 4.320 -0.003 0.000 0.210 180 K C 2.385 179.055 176.600 0.117 0.000 1.048 180 K CA 1.691 57.993 56.287 0.026 0.000 0.926 180 K CB -0.420 31.951 32.500 -0.214 0.000 0.714 180 K HN 0.164 8.414 8.250 -0.000 0.000 0.448 181 Q N 0.448 120.282 119.800 0.056 0.000 2.061 181 Q HA -0.189 4.150 4.340 -0.003 0.000 0.204 181 Q C 2.012 178.040 176.000 0.047 0.000 0.984 181 Q CA 1.389 57.224 55.803 0.053 0.000 0.846 181 Q CB -0.018 28.736 28.738 0.026 0.000 0.902 181 Q HN 0.216 8.486 8.270 -0.000 0.000 0.421 182 L N 0.716 121.963 121.223 0.039 0.000 2.179 182 L HA -0.032 4.306 4.340 -0.003 0.000 0.208 182 L C 2.040 178.928 176.870 0.031 0.000 1.096 182 L CA 1.714 56.570 54.840 0.027 0.000 0.779 182 L CB -0.437 41.635 42.059 0.023 0.000 0.922 182 L HN 0.291 8.521 8.230 -0.000 0.000 0.443 183 E N -0.531 119.699 120.200 0.050 0.000 2.031 183 E HA -0.250 4.098 4.350 -0.003 0.000 0.193 183 E C 1.599 178.210 176.600 0.017 0.000 0.994 183 E CA 1.504 57.931 56.400 0.045 0.000 0.800 183 E CB 0.026 29.780 29.700 0.090 0.000 0.752 183 E HN 0.466 8.826 8.360 -0.000 0.000 0.447 184 D N 0.584 121.005 120.400 0.035 0.000 2.177 184 D HA -0.247 4.391 4.640 -0.003 0.000 0.189 184 D C 2.091 178.388 176.300 -0.005 0.000 1.002 184 D CA 1.667 55.667 54.000 -0.000 0.000 0.845 184 D CB -0.514 40.309 40.800 0.039 0.000 0.960 184 D HN 0.311 8.681 8.370 -0.000 0.000 0.447 185 Q N -0.333 119.471 119.800 0.008 0.000 2.112 185 Q HA -0.150 4.189 4.340 -0.003 0.000 0.206 185 Q C 2.521 178.520 176.000 -0.002 0.000 0.987 185 Q CA 1.065 56.870 55.803 0.003 0.000 0.858 185 Q CB -0.160 28.581 28.738 0.005 0.000 0.905 185 Q HN 0.420 8.690 8.270 -0.000 0.000 0.420 186 I N 0.299 120.868 120.570 -0.002 0.000 2.353 186 I HA -0.207 3.961 4.170 -0.003 0.000 0.248 186 I C 1.315 177.427 176.117 -0.008 0.000 1.119 186 I CA 0.827 62.124 61.300 -0.006 0.000 1.417 186 I CB -0.275 37.724 38.000 -0.002 0.000 1.078 186 I HN 0.183 8.393 8.210 -0.000 0.000 0.421 187 N N 0.547 119.236 118.700 -0.018 0.000 2.666 187 N HA -0.024 4.714 4.740 -0.003 0.000 0.194 187 N C 1.138 176.637 175.510 -0.018 0.000 1.220 187 N CA 0.536 53.568 53.050 -0.030 0.000 0.928 187 N CB 0.138 38.589 38.487 -0.060 0.000 0.997 187 N HN 0.359 8.739 8.380 -0.000 0.000 0.447 188 A N -0.241 122.577 122.820 -0.003 0.000 2.340 188 A HA 0.251 4.569 4.320 -0.003 0.000 0.213 188 A C 0.456 178.061 177.584 0.035 0.000 1.299 188 A CA -0.398 51.643 52.037 0.007 0.000 0.994 188 A CB 0.415 19.415 19.000 0.001 0.000 1.132 188 A HN 0.089 8.239 8.150 -0.000 0.000 0.519 189 I N 2.347 122.944 120.570 0.046 0.000 2.587 189 I HA 0.174 4.343 4.170 -0.003 0.000 0.284 189 I C -2.427 173.769 176.117 0.131 0.000 1.134 189 I CA -1.613 59.754 61.300 0.112 0.000 1.410 189 I CB 0.512 38.546 38.000 0.057 0.000 1.392 189 I HN 0.035 8.245 8.210 -0.000 0.000 0.545 190 P HA 0.113 4.533 4.420 -0.000 0.000 0.268 190 P C 0.922 178.289 177.300 0.111 0.000 1.205 190 P CA 0.462 63.606 63.100 0.073 0.000 0.771 190 P CB 0.945 32.634 31.700 -0.017 0.000 0.858 191 G N 0.882 109.712 108.800 0.051 0.000 2.336 191 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.233 191 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.233 191 G C 0.136 175.065 174.900 0.049 0.000 1.053 191 G CA 0.083 45.218 45.100 0.058 0.000 0.625 191 G HN 0.559 8.849 8.290 -0.000 0.000 0.511 192 V N 2.300 122.247 119.914 0.056 0.000 2.694 192 V HA 0.298 4.416 4.120 -0.003 0.000 0.306 192 V C 1.953 178.054 176.094 0.011 0.000 1.054 192 V CA 0.843 63.158 62.300 0.025 0.000 1.161 192 V CB 1.278 33.112 31.823 0.018 0.000 0.916 192 V HN 1.235 9.425 8.190 -0.000 0.000 0.490 193 V N 1.860 121.777 119.914 0.006 0.000 2.721 193 V HA 0.344 4.463 4.120 -0.003 0.000 0.236 193 V C 0.623 176.711 176.094 -0.009 0.000 1.116 193 V CA 1.098 63.398 62.300 -0.001 0.000 1.148 193 V CB 0.762 32.587 31.823 0.004 0.000 0.886 193 V HN 0.847 9.037 8.190 -0.000 0.000 0.490 194 T N 0.063 114.616 114.554 -0.002 0.000 2.841 194 T HA 0.714 5.063 4.350 -0.003 0.000 0.296 194 T C -1.165 173.539 174.700 0.006 0.000 1.166 194 T CA 0.018 62.111 62.100 -0.012 0.000 1.007 194 T CB 2.233 71.096 68.868 -0.010 0.000 1.253 194 T HN 0.578 8.818 8.240 -0.000 0.000 0.511 195 V N 0.531 120.445 119.914 0.000 0.000 2.588 195 V HA 0.713 4.831 4.120 -0.003 0.000 0.304 195 V C 0.867 177.023 176.094 0.103 0.000 1.042 195 V CA -0.396 61.927 62.300 0.039 0.000 0.877 195 V CB 1.574 33.411 31.823 0.024 0.000 0.996 195 V HN 1.144 9.334 8.190 -0.000 0.000 0.425 196 G N 6.555 115.460 108.800 0.176 0.000 3.318 196 G HA2 0.094 4.052 3.960 -0.003 0.000 0.212 196 G HA3 0.094 4.052 3.960 -0.003 0.000 0.212 196 G C 0.085 175.190 174.900 0.342 0.000 1.227 196 G CA 0.188 45.477 45.100 0.316 0.000 1.438 196 G HN 0.581 8.871 8.290 -0.000 0.000 0.525 197 L N 0.409 121.810 121.223 0.296 0.000 2.316 197 L HA 0.415 4.754 4.340 -0.003 0.000 0.280 197 L C -0.830 176.217 176.870 0.295 0.000 1.006 197 L CA -0.958 54.046 54.840 0.273 0.000 0.836 197 L CB 1.476 43.611 42.059 0.128 0.000 1.221 197 L HN -0.024 8.206 8.230 -0.000 0.000 0.418 198 F N 2.824 122.774 119.950 -0.001 0.000 2.329 198 F HA 0.413 4.940 4.527 -0.001 0.000 0.362 198 F C 0.775 176.549 175.800 -0.043 0.000 1.113 198 F CA -0.401 57.589 58.000 -0.018 0.000 1.212 198 F CB 0.922 39.890 39.000 -0.054 0.000 1.509 198 F HN 0.508 8.808 8.300 -0.000 0.000 0.546 199 A N 1.279 124.160 122.820 0.101 0.000 1.964 199 A HA 0.063 4.382 4.320 -0.003 0.000 0.198 199 A C 2.059 179.623 177.584 -0.035 0.000 1.599 199 A CA 0.140 52.196 52.037 0.032 0.000 0.968 199 A CB -0.276 18.748 19.000 0.040 0.000 1.029 199 A HN 0.583 8.732 8.150 -0.000 0.000 0.508 200 H N -0.370 118.685 119.070 -0.024 0.000 2.319 200 H HA -0.039 4.516 4.556 -0.003 0.000 0.299 200 H C 0.606 175.918 175.328 -0.026 0.000 1.092 200 H CA 1.411 57.441 56.048 -0.030 0.000 1.302 200 H CB 0.183 29.921 29.762 -0.041 0.000 1.373 200 H HN 0.111 8.391 8.280 -0.000 0.000 0.497 201 R N 1.559 122.102 120.500 0.071 0.000 2.337 201 R HA 0.315 4.653 4.340 -0.003 0.000 0.319 201 R C -0.404 175.917 176.300 0.035 0.000 0.954 201 R CA -0.160 55.970 56.100 0.050 0.000 0.840 201 R CB 1.139 31.473 30.300 0.056 0.000 1.164 201 R HN 0.258 8.528 8.270 -0.000 0.000 0.472 202 G N 1.411 110.191 108.800 -0.033 0.000 2.887 202 G HA2 0.574 4.532 3.960 -0.003 0.000 0.277 202 G HA3 0.574 4.532 3.960 -0.003 0.000 0.277 202 G C -1.051 173.648 174.900 -0.336 0.000 1.346 202 G CA -0.563 44.442 45.100 -0.158 0.000 1.058 202 G HN 0.621 8.911 8.290 -0.000 0.000 0.535 203 A N -0.196 122.343 122.820 -0.469 0.000 2.491 203 A HA 0.322 4.640 4.320 -0.003 0.000 0.261 203 A C 0.935 178.441 177.584 -0.131 0.000 1.101 203 A CA -0.003 51.787 52.037 -0.412 0.000 0.772 203 A CB 0.005 18.793 19.000 -0.354 0.000 1.043 203 A HN 0.612 8.762 8.150 -0.000 0.000 0.501 204 D N 1.462 121.852 120.400 -0.016 0.000 2.091 204 D HA -0.033 4.605 4.640 -0.003 0.000 0.199 204 D C 0.369 176.641 176.300 -0.046 0.000 0.980 204 D CA 1.498 55.488 54.000 -0.017 0.000 0.831 204 D CB 0.047 40.852 40.800 0.009 0.000 0.987 204 D HN 0.350 8.720 8.370 -0.000 0.000 0.460 205 V N 1.634 121.504 119.914 -0.074 0.000 2.547 205 V HA 0.286 4.404 4.120 -0.003 0.000 0.299 205 V C 0.132 176.184 176.094 -0.069 0.000 1.040 205 V CA -0.658 61.577 62.300 -0.108 0.000 0.913 205 V CB 2.364 34.007 31.823 -0.300 0.000 0.992 205 V HN -0.150 8.040 8.190 -0.000 0.000 0.449 206 V N 5.760 125.649 119.914 -0.041 0.000 2.326 206 V HA 0.473 4.592 4.120 -0.003 0.000 0.281 206 V C -0.262 175.829 176.094 -0.004 0.000 1.015 206 V CA -0.247 62.035 62.300 -0.030 0.000 0.823 206 V CB 1.340 33.141 31.823 -0.036 0.000 1.009 206 V HN 0.676 8.866 8.190 -0.000 0.000 0.436 207 I N 4.856 125.424 120.570 -0.002 0.000 2.330 207 I HA 0.379 4.548 4.170 -0.003 0.000 0.286 207 I C 0.550 176.676 176.117 0.016 0.000 1.025 207 I CA 0.073 61.388 61.300 0.024 0.000 1.197 207 I CB 1.510 39.536 38.000 0.044 0.000 1.358 207 I HN 0.558 8.768 8.210 -0.000 0.000 0.467 208 T N 3.481 118.046 114.554 0.018 0.000 2.884 208 T HA 0.555 4.904 4.350 -0.003 0.000 0.277 208 T C 0.353 175.065 174.700 0.020 0.000 0.976 208 T CA -0.700 61.407 62.100 0.011 0.000 0.956 208 T CB 1.646 70.516 68.868 0.004 0.000 1.113 208 T HN 0.655 8.895 8.240 -0.000 0.000 0.554 209 G N 1.050 109.858 108.800 0.013 0.000 2.487 209 G HA2 0.569 4.527 3.960 -0.003 0.000 0.314 209 G HA3 0.569 4.527 3.960 -0.003 0.000 0.314 209 G C -0.185 174.718 174.900 0.007 0.000 1.267 209 G CA -0.649 44.459 45.100 0.012 0.000 0.937 209 G HN 0.840 9.130 8.290 -0.000 0.000 0.481 210 T N 0.649 115.207 114.554 0.006 0.000 2.841 210 T HA 0.599 4.948 4.350 -0.003 0.000 0.276 210 T C -1.866 172.832 174.700 -0.003 0.000 1.003 210 T CA -1.680 60.421 62.100 0.002 0.000 0.995 210 T CB 2.146 71.016 68.868 0.003 0.000 1.260 210 T HN 0.080 8.320 8.240 -0.000 0.000 0.581 211 P HA 0.091 4.511 4.420 -0.000 0.000 0.219 211 P C 0.044 177.336 177.300 -0.013 0.000 1.146 211 P CA 1.190 64.285 63.100 -0.009 0.000 0.808 211 P CB 0.127 31.822 31.700 -0.007 0.000 0.779 212 E N -0.827 119.366 120.200 -0.010 0.000 2.378 212 E HA 0.490 4.838 4.350 -0.003 0.000 0.282 212 E C 0.026 176.621 176.600 -0.007 0.000 0.910 212 E CA -0.105 56.287 56.400 -0.013 0.000 0.816 212 E CB 0.324 30.016 29.700 -0.013 0.000 1.359 212 E HN 0.144 8.504 8.360 -0.000 0.000 0.397 213 G N 2.510 111.306 108.800 -0.008 0.000 2.698 213 G HA2 0.252 4.210 3.960 -0.003 0.000 0.233 213 G HA3 0.252 4.210 3.960 -0.003 0.000 0.233 213 G C -0.466 174.443 174.900 0.014 0.000 1.352 213 G CA -0.250 44.853 45.100 0.005 0.000 0.879 213 G HN 1.239 9.529 8.290 -0.000 0.000 0.567 214 A N -0.515 122.322 122.820 0.028 0.000 2.393 214 A HA 0.805 5.123 4.320 -0.003 0.000 0.306 214 A C -0.016 177.589 177.584 0.034 0.000 1.050 214 A CA 0.368 52.424 52.037 0.033 0.000 0.724 214 A CB 1.630 20.661 19.000 0.051 0.000 1.248 214 A HN 1.177 9.327 8.150 -0.000 0.000 0.424 215 K N 1.603 122.019 120.400 0.027 0.000 2.350 215 K HA 0.524 4.843 4.320 -0.003 0.000 0.279 215 K C -0.900 175.724 176.600 0.040 0.000 1.027 215 K CA 0.369 56.673 56.287 0.028 0.000 0.969 215 K CB 0.157 32.668 32.500 0.018 0.000 0.954 215 K HN 0.581 8.831 8.250 -0.000 0.000 0.474 216 I N 2.526 123.126 120.570 0.050 0.000 2.828 216 I HA 0.312 4.481 4.170 -0.003 0.000 0.302 216 I C -0.999 175.155 176.117 0.061 0.000 1.101 216 I CA -0.786 60.559 61.300 0.075 0.000 1.031 216 I CB 2.487 40.558 38.000 0.119 0.000 1.231 216 I HN 0.590 8.800 8.210 -0.000 0.000 0.427 217 E N 3.242 123.479 120.200 0.061 0.000 2.759 217 E HA 0.252 4.601 4.350 -0.003 0.000 0.318 217 E C -1.316 175.306 176.600 0.036 0.000 1.093 217 E CA -0.314 56.108 56.400 0.037 0.000 0.762 217 E CB 1.438 31.147 29.700 0.015 0.000 1.543 217 E HN 0.494 8.854 8.360 -0.000 0.000 0.381 218 E N 0.000 120.234 120.200 0.057 0.000 2.725 218 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 218 E CA 0.000 56.434 56.400 0.057 0.000 0.976 218 E CB 0.000 29.767 29.700 0.111 0.000 0.812 218 E HN 0.000 8.360 8.360 -0.000 0.000 0.440