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 2ixh_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMAMKATRLA IPDVILFEPR VFGDDRGFFF ESYNQRAFEE ACGHPVSFVQ DATA SEQUENCE DNHSRSARGV LRGLHYQIRQ AQGKLVRATL GEVFDVAVDL RRGSPTFGQW DATA SEQUENCE VGERLSAENK RQMWIPAGFA HGFVVLSEYA EFLYKTTDFW APEHERCIVW DATA SEQUENCE NDPELKIDWP LQDAPLLSEK DRQGKAFADA DCFP 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 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1 S C 0.000 174.646 174.600 0.077 0.000 1.055 1 S CA 0.000 58.226 58.200 0.044 0.000 1.107 1 S CB 0.000 63.219 63.200 0.032 0.000 0.593 2 M N 2.425 122.096 119.600 0.118 0.000 2.264 2 M HA 0.897 5.365 4.480 -0.020 0.000 0.352 2 M C 0.396 176.801 176.300 0.174 0.000 1.173 2 M CA 0.014 55.435 55.300 0.202 0.000 1.075 2 M CB 1.210 34.072 32.600 0.438 0.000 1.621 2 M HN 0.808 9.098 8.290 -0.000 0.000 0.457 3 A N 2.160 125.062 122.820 0.136 0.000 2.430 3 A HA 0.912 5.219 4.320 -0.020 0.000 0.155 3 A C -1.399 176.235 177.584 0.084 0.000 1.381 3 A CA -0.477 51.623 52.037 0.105 0.000 2.576 3 A CB 0.784 19.827 19.000 0.072 0.000 2.939 3 A HN 0.719 8.869 8.150 -0.000 0.000 1.219 4 M N 0.711 120.362 119.600 0.085 0.000 2.272 4 M HA 0.369 4.837 4.480 -0.020 0.000 0.240 4 M C -0.975 175.411 176.300 0.143 0.000 0.991 4 M CA -0.124 55.247 55.300 0.118 0.000 1.008 4 M CB 1.581 34.268 32.600 0.145 0.000 2.221 4 M HN 0.543 8.833 8.290 -0.000 0.000 0.469 5 K N 2.965 123.420 120.400 0.091 0.000 2.489 5 K HA 0.544 4.852 4.320 -0.020 0.000 0.278 5 K C -1.088 175.548 176.600 0.059 0.000 1.000 5 K CA 0.448 56.767 56.287 0.053 0.000 1.012 5 K CB 0.519 33.025 32.500 0.010 0.000 0.903 5 K HN 0.770 9.020 8.250 -0.000 0.000 0.485 6 A N 3.407 126.213 122.820 -0.024 0.000 2.343 6 A HA 0.466 4.774 4.320 -0.020 0.000 0.308 6 A C -1.102 176.362 177.584 -0.200 0.000 1.092 6 A CA -0.658 51.255 52.037 -0.207 0.000 0.751 6 A CB 1.583 20.490 19.000 -0.156 0.000 1.203 6 A HN 0.655 8.805 8.150 -0.000 0.000 0.452 7 T N 2.508 116.904 114.554 -0.264 0.000 2.841 7 T HA 0.405 4.743 4.350 -0.020 0.000 0.285 7 T C -0.171 174.422 174.700 -0.180 0.000 0.991 7 T CA -0.550 61.448 62.100 -0.170 0.000 0.966 7 T CB 1.047 69.843 68.868 -0.120 0.000 0.962 7 T HN 0.660 8.900 8.240 -0.000 0.000 0.438 8 R N 2.505 122.931 120.500 -0.124 0.000 2.389 8 R HA 0.408 4.736 4.340 -0.020 0.000 0.295 8 R C 0.260 176.515 176.300 -0.075 0.000 1.075 8 R CA -0.388 55.658 56.100 -0.090 0.000 1.005 8 R CB 0.581 30.849 30.300 -0.054 0.000 0.987 8 R HN 0.514 8.784 8.270 -0.000 0.000 0.452 9 L N 1.368 122.549 121.223 -0.071 0.000 2.543 9 L HA 0.171 4.499 4.340 -0.020 0.000 0.231 9 L C 1.840 178.675 176.870 -0.058 0.000 1.194 9 L CA -0.115 54.683 54.840 -0.069 0.000 0.823 9 L CB 0.213 42.227 42.059 -0.074 0.000 1.374 9 L HN 0.729 8.959 8.230 -0.000 0.000 0.507 10 A N 0.549 123.323 122.820 -0.075 0.000 1.986 10 A HA -0.063 4.245 4.320 -0.020 0.000 0.220 10 A C 1.076 178.630 177.584 -0.049 0.000 1.171 10 A CA 1.241 53.231 52.037 -0.078 0.000 0.640 10 A CB -0.723 18.200 19.000 -0.128 0.000 0.811 10 A HN 0.490 8.640 8.150 -0.000 0.000 0.451 11 I N 0.390 120.944 120.570 -0.027 0.000 2.282 11 I HA 0.159 4.317 4.170 -0.020 0.000 0.290 11 I C -1.783 174.358 176.117 0.040 0.000 1.090 11 I CA -1.935 59.387 61.300 0.037 0.000 1.231 11 I CB 1.390 39.462 38.000 0.121 0.000 1.434 11 I HN 0.026 8.236 8.210 -0.000 0.000 0.487 12 P HA -0.197 4.223 4.420 -0.000 0.000 0.217 12 P C 0.815 178.139 177.300 0.041 0.000 1.148 12 P CA 1.399 64.513 63.100 0.024 0.000 0.834 12 P CB 0.143 31.861 31.700 0.029 0.000 0.783 13 D N -1.153 119.294 120.400 0.079 0.000 2.348 13 D HA -0.014 4.614 4.640 -0.020 0.000 0.216 13 D C 0.435 176.733 176.300 -0.004 0.000 0.970 13 D CA 0.563 54.621 54.000 0.097 0.000 0.889 13 D CB 0.048 40.944 40.800 0.160 0.000 0.912 13 D HN 0.092 8.462 8.370 -0.000 0.000 0.524 14 V N 2.047 121.908 119.914 -0.088 0.000 2.498 14 V HA 0.275 4.383 4.120 -0.020 0.000 0.279 14 V C 0.453 176.519 176.094 -0.047 0.000 1.048 14 V CA -0.398 61.804 62.300 -0.163 0.000 0.967 14 V CB 1.621 33.315 31.823 -0.215 0.000 0.988 14 V HN -0.088 8.102 8.190 -0.000 0.000 0.473 15 I N 5.164 125.745 120.570 0.018 0.000 2.498 15 I HA 0.416 4.574 4.170 -0.020 0.000 0.290 15 I C -0.912 175.089 176.117 -0.193 0.000 1.032 15 I CA -0.791 60.436 61.300 -0.121 0.000 1.073 15 I CB 2.085 39.974 38.000 -0.185 0.000 1.251 15 I HN 0.401 8.611 8.210 -0.000 0.000 0.426 16 L N 6.683 127.734 121.223 -0.286 0.000 2.272 16 L HA 0.562 4.890 4.340 -0.020 0.000 0.289 16 L C -1.237 175.443 176.870 -0.317 0.000 1.032 16 L CA 0.218 54.951 54.840 -0.180 0.000 0.810 16 L CB 0.605 42.604 42.059 -0.099 0.000 1.205 16 L HN 0.265 8.495 8.230 -0.000 0.000 0.422 17 F N 3.066 123.052 119.950 0.061 0.000 2.458 17 F HA 0.545 5.059 4.527 -0.021 0.000 0.330 17 F C 0.185 175.992 175.800 0.011 0.000 1.082 17 F CA -0.500 57.530 58.000 0.051 0.000 0.995 17 F CB 1.680 40.735 39.000 0.093 0.000 1.170 17 F HN 0.442 8.742 8.300 -0.000 0.000 0.478 18 E N 4.367 124.675 120.200 0.179 0.000 2.283 18 E HA 0.347 4.685 4.350 -0.020 0.000 0.258 18 E C -2.846 173.765 176.600 0.019 0.000 0.893 18 E CA -2.285 54.146 56.400 0.052 0.000 0.798 18 E CB 1.867 31.564 29.700 -0.004 0.000 1.242 18 E HN 0.151 8.511 8.360 -0.000 0.000 0.414 19 P HA 0.249 4.669 4.420 -0.000 0.000 0.279 19 P C -0.934 176.245 177.300 -0.200 0.000 1.252 19 P CA -0.742 62.322 63.100 -0.061 0.000 0.811 19 P CB 0.823 32.527 31.700 0.007 0.000 1.035 20 R N 1.516 121.889 120.500 -0.212 0.000 2.254 20 R HA 0.377 4.705 4.340 -0.020 0.000 0.318 20 R C -1.355 174.565 176.300 -0.634 0.000 1.031 20 R CA -0.480 55.372 56.100 -0.414 0.000 0.905 20 R CB -0.530 29.518 30.300 -0.419 0.000 1.050 20 R HN 0.211 8.481 8.270 -0.000 0.000 0.456 21 V N 6.626 126.164 119.914 -0.627 0.000 2.347 21 V HA 0.412 4.520 4.120 -0.020 0.000 0.280 21 V C -0.475 175.382 176.094 -0.394 0.000 1.021 21 V CA -0.580 61.401 62.300 -0.531 0.000 0.847 21 V CB 0.632 32.054 31.823 -0.669 0.000 0.990 21 V HN 0.583 8.773 8.190 -0.000 0.000 0.444 22 F N 2.971 123.012 119.950 0.151 0.000 2.404 22 F HA 0.635 5.150 4.527 -0.020 0.000 0.358 22 F C 1.150 177.071 175.800 0.201 0.000 1.120 22 F CA -0.298 57.795 58.000 0.156 0.000 1.144 22 F CB 1.144 40.250 39.000 0.176 0.000 1.133 22 F HN 0.573 8.873 8.300 -0.000 0.000 0.495 23 G N 2.308 111.279 108.800 0.284 0.000 2.400 23 G HA2 0.539 4.487 3.960 -0.020 0.000 0.301 23 G HA3 0.539 4.487 3.960 -0.020 0.000 0.301 23 G C -1.214 173.806 174.900 0.200 0.000 1.154 23 G CA -0.331 44.918 45.100 0.249 0.000 0.852 23 G HN 0.648 8.938 8.290 -0.000 0.000 0.511 24 D N -0.810 119.693 120.400 0.172 0.000 2.692 24 D HA 0.159 4.787 4.640 -0.020 0.000 0.303 24 D C 0.182 176.536 176.300 0.090 0.000 1.278 24 D CA -0.530 53.538 54.000 0.113 0.000 0.852 24 D CB 0.429 41.288 40.800 0.097 0.000 1.375 24 D HN 0.354 8.724 8.370 -0.000 0.000 0.453 25 D N -0.671 119.766 120.400 0.061 0.000 2.371 25 D HA -0.040 4.588 4.640 -0.020 0.000 0.221 25 D C 1.399 177.723 176.300 0.039 0.000 0.986 25 D CA 0.606 54.634 54.000 0.048 0.000 0.899 25 D CB -0.152 40.669 40.800 0.034 0.000 0.902 25 D HN 0.324 8.694 8.370 -0.000 0.000 0.530 26 R N -0.204 120.320 120.500 0.041 0.000 2.153 26 R HA 0.327 4.655 4.340 -0.020 0.000 0.218 26 R C 1.343 177.653 176.300 0.017 0.000 1.072 26 R CA 0.924 57.040 56.100 0.027 0.000 0.990 26 R CB 0.175 30.491 30.300 0.028 0.000 0.889 26 R HN 0.355 8.625 8.270 -0.000 0.000 0.452 27 G N -0.085 108.744 108.800 0.048 0.000 2.272 27 G HA2 0.007 3.955 3.960 -0.020 0.000 0.068 27 G HA3 0.007 3.955 3.960 -0.020 0.000 0.068 27 G C -1.343 173.656 174.900 0.166 0.000 1.073 27 G CA -0.296 44.820 45.100 0.028 0.000 1.154 27 G HN 0.184 8.474 8.290 -0.000 0.000 0.429 28 F N -0.836 119.199 119.950 0.142 0.000 2.664 28 F HA 0.925 5.440 4.527 -0.021 0.000 0.317 28 F C -1.424 174.559 175.800 0.305 0.000 1.108 28 F CA -2.639 55.487 58.000 0.209 0.000 0.957 28 F CB 1.731 40.830 39.000 0.165 0.000 1.365 28 F HN 0.747 9.047 8.300 -0.000 0.000 0.475 29 F N 2.941 123.277 119.950 0.642 0.000 2.581 29 F HA 0.736 5.251 4.527 -0.019 0.000 0.311 29 F C -2.013 174.156 175.800 0.614 0.000 1.113 29 F CA -1.189 57.121 58.000 0.516 0.000 0.935 29 F CB 1.825 41.011 39.000 0.309 0.000 1.232 29 F HN 0.689 8.989 8.300 -0.000 0.000 0.445 30 F N 1.987 121.844 119.950 -0.155 0.000 2.645 30 F HA 0.571 5.086 4.527 -0.021 0.000 0.310 30 F C -1.519 174.136 175.800 -0.243 0.000 1.102 30 F CA -1.228 56.762 58.000 -0.017 0.000 0.952 30 F CB 1.247 40.190 39.000 -0.095 0.000 1.326 30 F HN 0.415 8.715 8.300 -0.000 0.000 0.456 31 E N 1.428 121.712 120.200 0.139 0.000 2.129 31 E HA 0.192 4.530 4.350 -0.020 0.000 0.283 31 E C 0.383 176.953 176.600 -0.050 0.000 1.080 31 E CA 0.108 56.506 56.400 -0.003 0.000 0.867 31 E CB 1.138 30.929 29.700 0.152 0.000 1.056 31 E HN 0.773 9.133 8.360 -0.000 0.000 0.404 32 S N 3.595 119.122 115.700 -0.288 0.000 2.496 32 S HA -0.082 4.376 4.470 -0.020 0.000 0.224 32 S C 0.168 174.743 174.600 -0.041 0.000 0.996 32 S CA 0.236 58.341 58.200 -0.159 0.000 0.927 32 S CB 0.068 63.070 63.200 -0.329 0.000 0.774 32 S HN 0.562 8.872 8.310 -0.000 0.000 0.524 33 Y N 1.051 121.225 120.300 -0.211 0.000 2.482 33 Y HA 0.591 5.129 4.550 -0.020 0.000 0.334 33 Y C -1.784 174.027 175.900 -0.148 0.000 1.091 33 Y CA -1.237 56.718 58.100 -0.241 0.000 1.027 33 Y CB 1.407 39.661 38.460 -0.342 0.000 1.306 33 Y HN 0.130 8.410 8.280 -0.000 0.000 0.446 34 N N 5.278 123.465 118.700 -0.855 0.000 2.500 34 N HA 0.111 4.839 4.740 -0.020 0.000 0.291 34 N C -0.036 174.974 175.510 -0.834 0.000 1.092 34 N CA -0.268 52.384 53.050 -0.665 0.000 0.890 34 N CB 2.214 40.542 38.487 -0.265 0.000 1.466 34 N HN 1.078 9.458 8.380 -0.000 0.000 0.507 35 Q N 2.910 122.269 119.800 -0.735 0.000 2.170 35 Q HA -0.075 4.253 4.340 -0.020 0.000 0.203 35 Q C 1.070 176.985 176.000 -0.142 0.000 0.976 35 Q CA 1.305 56.894 55.803 -0.357 0.000 0.858 35 Q CB 0.288 28.996 28.738 -0.050 0.000 0.907 35 Q HN 0.563 8.833 8.270 -0.000 0.000 0.433 36 R N -0.315 120.103 120.500 -0.137 0.000 2.073 36 R HA -0.115 4.213 4.340 -0.020 0.000 0.234 36 R C 2.329 178.583 176.300 -0.075 0.000 1.134 36 R CA 1.306 57.359 56.100 -0.079 0.000 0.952 36 R CB -0.349 29.914 30.300 -0.061 0.000 0.850 36 R HN 0.301 8.571 8.270 -0.000 0.000 0.433 37 A N 0.530 123.294 122.820 -0.092 0.000 1.897 37 A HA -0.159 4.149 4.320 -0.020 0.000 0.215 37 A C 1.931 179.490 177.584 -0.041 0.000 1.181 37 A CA 0.886 52.892 52.037 -0.052 0.000 0.620 37 A CB -0.543 18.432 19.000 -0.041 0.000 0.821 37 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 38 F N 1.026 120.824 119.950 -0.253 0.000 2.075 38 F HA -0.133 4.382 4.527 -0.020 0.000 0.297 38 F C 2.193 177.880 175.800 -0.187 0.000 1.113 38 F CA 2.196 60.044 58.000 -0.253 0.000 1.218 38 F CB -0.321 38.509 39.000 -0.282 0.000 0.984 38 F HN 0.342 8.642 8.300 -0.000 0.000 0.472 39 E N -0.325 119.764 120.200 -0.185 0.000 2.204 39 E HA -0.238 4.100 4.350 -0.020 0.000 0.194 39 E C 2.097 178.558 176.600 -0.231 0.000 0.989 39 E CA 1.107 57.345 56.400 -0.270 0.000 0.824 39 E CB -0.235 29.399 29.700 -0.110 0.000 0.756 39 E HN 0.590 8.950 8.360 -0.000 0.000 0.477 40 E N 0.535 120.645 120.200 -0.150 0.000 2.072 40 E HA -0.155 4.183 4.350 -0.020 0.000 0.191 40 E C 1.960 178.497 176.600 -0.105 0.000 0.985 40 E CA 0.944 57.286 56.400 -0.097 0.000 0.801 40 E CB 0.010 29.678 29.700 -0.054 0.000 0.750 40 E HN 0.209 8.569 8.360 -0.000 0.000 0.452 41 A N 0.140 122.889 122.820 -0.119 0.000 1.970 41 A HA -0.115 4.193 4.320 -0.020 0.000 0.216 41 A C 2.333 179.806 177.584 -0.185 0.000 1.170 41 A CA 0.980 52.963 52.037 -0.090 0.000 0.645 41 A CB -0.761 18.274 19.000 0.058 0.000 0.816 41 A HN 0.531 8.681 8.150 -0.000 0.000 0.447 42 C N -1.397 117.662 119.300 -0.402 0.000 2.475 42 C HA 0.347 4.795 4.460 -0.020 0.000 0.279 42 C C 2.197 177.058 174.990 -0.215 0.000 1.322 42 C CA 1.322 60.035 59.018 -0.508 0.000 1.734 42 C CB -1.058 26.002 27.740 -1.133 0.000 2.005 42 C HN 1.303 9.533 8.230 -0.000 0.000 0.495 43 G N 0.179 108.872 108.800 -0.179 0.000 2.159 43 G HA2 -0.174 3.774 3.960 -0.020 0.000 0.256 43 G HA3 -0.174 3.774 3.960 -0.020 0.000 0.256 43 G C -0.013 174.928 174.900 0.069 0.000 0.977 43 G CA 1.048 46.132 45.100 -0.027 0.000 0.652 43 G HN 1.339 9.629 8.290 -0.000 0.000 0.531 44 H N -2.946 116.067 119.070 -0.094 0.000 3.003 44 H HA 0.695 5.239 4.556 -0.020 0.000 0.327 44 H C -3.315 171.974 175.328 -0.065 0.000 1.353 44 H CA -1.628 54.387 56.048 -0.055 0.000 1.142 44 H CB 0.376 30.127 29.762 -0.019 0.000 1.864 44 H HN 0.122 8.402 8.280 -0.000 0.000 0.529 45 P HA 0.323 4.743 4.420 -0.000 0.000 0.274 45 P C -1.132 176.158 177.300 -0.016 0.000 1.231 45 P CA -0.665 62.429 63.100 -0.009 0.000 0.790 45 P CB 1.367 33.090 31.700 0.038 0.000 0.951 46 V N 1.432 121.307 119.914 -0.066 0.000 2.851 46 V HA 0.526 4.634 4.120 -0.020 0.000 0.307 46 V C -1.263 174.702 176.094 -0.216 0.000 1.129 46 V CA -0.306 61.896 62.300 -0.164 0.000 0.932 46 V CB 2.326 33.977 31.823 -0.286 0.000 1.024 46 V HN 0.508 8.697 8.190 -0.000 0.000 0.426 47 S N 6.170 121.702 115.700 -0.279 0.000 2.502 47 S HA 0.733 5.191 4.470 -0.020 0.000 0.304 47 S C -1.047 173.330 174.600 -0.372 0.000 1.097 47 S CA -0.252 57.818 58.200 -0.217 0.000 1.045 47 S CB 1.304 64.455 63.200 -0.082 0.000 1.019 47 S HN 0.560 8.870 8.310 -0.000 0.000 0.481 48 F N 1.706 121.591 119.950 -0.108 0.000 2.415 48 F HA 0.358 4.873 4.527 -0.020 0.000 0.348 48 F C 1.234 176.940 175.800 -0.156 0.000 1.119 48 F CA -0.740 57.167 58.000 -0.156 0.000 1.069 48 F CB 1.440 40.283 39.000 -0.261 0.000 1.124 48 F HN 0.456 8.756 8.300 -0.000 0.000 0.472 49 V N -0.199 119.680 119.914 -0.058 0.000 3.605 49 V HA 0.316 4.424 4.120 -0.020 0.000 0.284 49 V C -0.091 175.945 176.094 -0.096 0.000 1.386 49 V CA 0.144 62.340 62.300 -0.172 0.000 1.053 49 V CB -0.031 31.417 31.823 -0.625 0.000 0.857 49 V HN 0.818 9.008 8.190 -0.000 0.000 0.436 50 Q N 0.265 120.033 119.800 -0.054 0.000 2.352 50 Q HA 0.432 4.760 4.340 -0.020 0.000 0.270 50 Q C -2.211 173.743 176.000 -0.078 0.000 1.006 50 Q CA -0.515 55.284 55.803 -0.006 0.000 0.880 50 Q CB 2.576 31.345 28.738 0.051 0.000 1.392 50 Q HN 0.469 8.739 8.270 -0.000 0.000 0.401 51 D N 2.256 122.584 120.400 -0.120 0.000 2.498 51 D HA 0.505 5.132 4.640 -0.020 0.000 0.247 51 D C -0.980 175.161 176.300 -0.264 0.000 1.070 51 D CA -0.350 53.511 54.000 -0.230 0.000 0.842 51 D CB 1.386 42.065 40.800 -0.202 0.000 1.361 51 D HN 0.355 8.725 8.370 -0.000 0.000 0.484 52 N N 0.503 118.923 118.700 -0.468 0.000 2.240 52 N HA 0.345 5.072 4.740 -0.020 0.000 0.302 52 N C -1.298 174.067 175.510 -0.242 0.000 1.106 52 N CA -0.498 52.285 53.050 -0.445 0.000 0.778 52 N CB 2.366 40.346 38.487 -0.844 0.000 1.431 52 N HN 0.465 8.845 8.380 -0.000 0.000 0.479 53 H N -0.393 118.601 119.070 -0.126 0.000 3.018 53 H HA 0.399 4.942 4.556 -0.021 0.000 0.334 53 H C -1.153 174.222 175.328 0.079 0.000 0.983 53 H CA -0.483 55.557 56.048 -0.012 0.000 1.363 53 H CB 0.869 30.601 29.762 -0.050 0.000 1.668 53 H HN 0.636 8.916 8.280 -0.000 0.000 0.513 54 S N 4.757 120.740 115.700 0.471 0.000 2.568 54 S HA 0.553 5.011 4.470 -0.020 0.000 0.293 54 S C -0.849 173.974 174.600 0.373 0.000 1.089 54 S CA -1.139 57.289 58.200 0.381 0.000 0.945 54 S CB 2.758 66.192 63.200 0.391 0.000 1.077 54 S HN 0.758 9.068 8.310 -0.000 0.000 0.485 55 R N 0.817 121.472 120.500 0.259 0.000 2.621 55 R HA 0.719 5.047 4.340 -0.020 0.000 0.292 55 R C -1.502 174.921 176.300 0.204 0.000 0.969 55 R CA -0.314 55.916 56.100 0.217 0.000 0.887 55 R CB 1.817 32.193 30.300 0.126 0.000 1.180 55 R HN 0.827 9.097 8.270 -0.000 0.000 0.450 56 S N 1.615 117.459 115.700 0.241 0.000 2.540 56 S HA 0.611 5.069 4.470 -0.020 0.000 0.275 56 S C -0.995 173.748 174.600 0.238 0.000 1.123 56 S CA -0.798 57.527 58.200 0.209 0.000 0.907 56 S CB 1.903 65.224 63.200 0.202 0.000 1.081 56 S HN 0.787 9.097 8.310 -0.000 0.000 0.476 57 A N 1.839 124.757 122.820 0.164 0.000 2.272 57 A HA 0.631 4.939 4.320 -0.020 0.000 0.275 57 A C 0.460 178.015 177.584 -0.048 0.000 1.096 57 A CA -0.536 51.528 52.037 0.044 0.000 0.822 57 A CB 0.246 19.242 19.000 -0.007 0.000 1.088 57 A HN 0.825 8.975 8.150 -0.000 0.000 0.495 58 R N -0.263 120.151 120.500 -0.144 0.000 2.537 58 R HA 0.239 4.567 4.340 -0.020 0.000 0.281 58 R C 1.201 177.435 176.300 -0.111 0.000 0.988 58 R CA 1.591 57.625 56.100 -0.111 0.000 1.077 58 R CB -0.314 29.902 30.300 -0.140 0.000 0.932 58 R HN 1.748 10.018 8.270 -0.000 0.000 0.409 59 G N 2.381 111.114 108.800 -0.112 0.000 2.199 59 G HA2 -0.269 3.679 3.960 -0.020 0.000 0.254 59 G HA3 -0.269 3.679 3.960 -0.020 0.000 0.254 59 G C 0.042 174.801 174.900 -0.236 0.000 0.982 59 G CA 0.089 45.087 45.100 -0.170 0.000 0.632 59 G HN 0.553 8.843 8.290 -0.000 0.000 0.529 60 V N 1.342 121.142 119.914 -0.191 0.000 2.572 60 V HA 0.518 4.626 4.120 -0.020 0.000 0.291 60 V C 0.727 176.598 176.094 -0.373 0.000 1.039 60 V CA 0.257 62.410 62.300 -0.245 0.000 1.055 60 V CB 1.615 33.351 31.823 -0.145 0.000 0.969 60 V HN 0.440 8.630 8.190 -0.000 0.000 0.482 61 L N 6.755 127.666 121.223 -0.521 0.000 2.356 61 L HA 0.623 4.951 4.340 -0.020 0.000 0.277 61 L C -0.257 176.204 176.870 -0.681 0.000 0.996 61 L CA -0.536 53.883 54.840 -0.702 0.000 0.822 61 L CB 1.239 42.742 42.059 -0.927 0.000 1.256 61 L HN 0.578 8.808 8.230 -0.000 0.000 0.413 62 R N 4.189 124.158 120.500 -0.885 0.000 2.360 62 R HA 0.799 5.127 4.340 -0.020 0.000 0.318 62 R C -0.464 175.369 176.300 -0.780 0.000 0.950 62 R CA -0.581 55.066 56.100 -0.755 0.000 0.837 62 R CB 1.811 31.609 30.300 -0.836 0.000 1.165 62 R HN 0.861 9.131 8.270 -0.000 0.000 0.458 63 G N 1.913 110.229 108.800 -0.808 0.000 2.369 63 G HA2 0.057 4.005 3.960 -0.020 0.000 0.293 63 G HA3 0.057 4.005 3.960 -0.020 0.000 0.293 63 G C -1.670 172.989 174.900 -0.401 0.000 1.301 63 G CA -1.125 43.488 45.100 -0.811 0.000 0.913 63 G HN 0.326 8.616 8.290 -0.000 0.000 0.540 64 L N 1.390 122.548 121.223 -0.108 0.000 2.257 64 L HA 0.500 4.828 4.340 -0.020 0.000 0.290 64 L C 0.260 177.235 176.870 0.175 0.000 1.044 64 L CA -0.580 54.256 54.840 -0.008 0.000 0.810 64 L CB 0.891 43.041 42.059 0.153 0.000 1.193 64 L HN 0.561 8.791 8.230 -0.000 0.000 0.425 65 H N 2.757 121.967 119.070 0.233 0.000 2.529 65 H HA 0.636 5.179 4.556 -0.022 0.000 0.348 65 H C -1.159 174.430 175.328 0.434 0.000 1.152 65 H CA -0.720 55.469 56.048 0.234 0.000 1.202 65 H CB 1.952 31.815 29.762 0.169 0.000 1.562 65 H HN 0.517 8.797 8.280 -0.000 0.000 0.515 66 Y N -1.380 119.143 120.300 0.373 0.000 2.689 66 Y HA 0.337 4.875 4.550 -0.020 0.000 0.333 66 Y C -1.646 174.441 175.900 0.311 0.000 1.208 66 Y CA -1.326 56.991 58.100 0.362 0.000 1.055 66 Y CB 1.205 39.926 38.460 0.435 0.000 1.304 66 Y HN 0.472 8.752 8.280 -0.000 0.000 0.455 67 Q N 1.540 121.614 119.800 0.457 0.000 2.341 67 Q HA 0.373 4.701 4.340 -0.020 0.000 0.268 67 Q C -0.077 176.171 176.000 0.414 0.000 1.013 67 Q CA -0.687 55.311 55.803 0.326 0.000 0.798 67 Q CB 2.723 31.645 28.738 0.307 0.000 1.253 67 Q HN 0.840 9.110 8.270 -0.000 0.000 0.457 68 I N 1.647 122.359 120.570 0.236 0.000 2.676 68 I HA -0.059 4.099 4.170 -0.020 0.000 0.259 68 I C 0.156 176.307 176.117 0.058 0.000 1.194 68 I CA 1.276 62.624 61.300 0.080 0.000 1.473 68 I CB 0.177 38.160 38.000 -0.029 0.000 1.096 68 I HN 0.421 8.631 8.210 -0.000 0.000 0.443 69 R N -0.090 120.355 120.500 -0.092 0.000 2.837 69 R HA 0.409 4.737 4.340 -0.020 0.000 0.271 69 R C -0.381 175.802 176.300 -0.196 0.000 0.993 69 R CA -0.731 55.200 56.100 -0.282 0.000 0.931 69 R CB 1.460 31.331 30.300 -0.715 0.000 1.206 69 R HN 0.066 8.336 8.270 -0.000 0.000 0.474 70 Q N -0.282 119.485 119.800 -0.055 0.000 2.435 70 Q HA -0.209 4.119 4.340 -0.020 0.000 0.312 70 Q C -0.623 175.476 176.000 0.164 0.000 1.333 70 Q CA 0.713 56.574 55.803 0.095 0.000 0.883 70 Q CB -1.262 27.577 28.738 0.168 0.000 1.170 70 Q HN 0.696 8.966 8.270 -0.000 0.000 0.443 71 A N 1.168 124.100 122.820 0.187 0.000 2.540 71 A HA 0.144 4.452 4.320 -0.020 0.000 0.239 71 A C 0.312 178.004 177.584 0.180 0.000 1.061 71 A CA 0.429 52.613 52.037 0.246 0.000 0.758 71 A CB 0.355 19.508 19.000 0.254 0.000 0.991 71 A HN 0.402 8.552 8.150 -0.000 0.000 0.502 72 Q N 1.506 121.429 119.800 0.204 0.000 2.372 72 Q HA 0.461 4.789 4.340 -0.020 0.000 0.259 72 Q C 0.453 176.532 176.000 0.132 0.000 0.993 72 Q CA -0.314 55.598 55.803 0.182 0.000 0.854 72 Q CB 1.785 30.667 28.738 0.240 0.000 1.231 72 Q HN 0.909 9.179 8.270 -0.000 0.000 0.462 73 G N 2.694 111.561 108.800 0.112 0.000 2.441 73 G HA2 0.233 4.181 3.960 -0.020 0.000 0.243 73 G HA3 0.233 4.181 3.960 -0.020 0.000 0.243 73 G C -0.502 174.508 174.900 0.182 0.000 1.281 73 G CA -0.254 44.855 45.100 0.014 0.000 0.854 73 G HN 0.415 8.705 8.290 -0.000 0.000 0.560 74 K N 0.745 121.157 120.400 0.020 0.000 2.443 74 K HA 0.399 4.706 4.320 -0.020 0.000 0.252 74 K C -1.373 175.406 176.600 0.300 0.000 0.933 74 K CA -0.819 55.588 56.287 0.199 0.000 0.792 74 K CB 2.495 34.989 32.500 -0.010 0.000 1.185 74 K HN 0.299 8.549 8.250 -0.000 0.000 0.425 75 L N 4.434 125.845 121.223 0.313 0.000 2.298 75 L HA 0.497 4.825 4.340 -0.020 0.000 0.284 75 L C -0.988 175.852 176.870 -0.050 0.000 1.013 75 L CA -0.629 54.306 54.840 0.157 0.000 0.824 75 L CB 1.484 43.450 42.059 -0.154 0.000 1.221 75 L HN 0.475 8.705 8.230 -0.000 0.000 0.418 76 V N 3.888 123.770 119.914 -0.052 0.000 2.864 76 V HA 0.935 5.043 4.120 -0.020 0.000 0.314 76 V C -0.761 175.176 176.094 -0.261 0.000 1.073 76 V CA -0.595 61.568 62.300 -0.229 0.000 0.956 76 V CB 1.977 33.674 31.823 -0.209 0.000 1.023 76 V HN 1.026 9.216 8.190 -0.000 0.000 0.435 77 R N 2.816 123.022 120.500 -0.489 0.000 2.733 77 R HA 0.893 5.221 4.340 -0.020 0.000 0.272 77 R C -1.313 174.743 176.300 -0.406 0.000 1.029 77 R CA -0.444 55.468 56.100 -0.313 0.000 0.888 77 R CB 1.659 31.853 30.300 -0.177 0.000 1.251 77 R HN 1.483 9.753 8.270 -0.000 0.000 0.464 78 A N 0.277 122.996 122.820 -0.168 0.000 2.331 78 A HA 0.502 4.810 4.320 -0.020 0.000 0.320 78 A C 0.421 177.974 177.584 -0.052 0.000 1.138 78 A CA -0.359 51.623 52.037 -0.090 0.000 0.790 78 A CB 1.549 20.567 19.000 0.030 0.000 1.206 78 A HN 0.870 9.020 8.150 -0.000 0.000 0.470 79 T N -0.093 114.429 114.554 -0.054 0.000 3.023 79 T HA 0.401 4.739 4.350 -0.020 0.000 0.253 79 T C 0.112 174.836 174.700 0.041 0.000 1.038 79 T CA 0.239 62.337 62.100 -0.003 0.000 0.962 79 T CB -0.348 68.495 68.868 -0.042 0.000 1.018 79 T HN 0.606 8.846 8.240 -0.000 0.000 0.521 80 L N 0.869 122.122 121.223 0.050 0.000 2.470 80 L HA 0.635 4.963 4.340 -0.020 0.000 0.268 80 L C 0.196 177.125 176.870 0.099 0.000 0.964 80 L CA 0.408 55.298 54.840 0.083 0.000 0.839 80 L CB 1.262 43.378 42.059 0.095 0.000 1.276 80 L HN 0.492 8.722 8.230 -0.000 0.000 0.403 81 G N 3.576 112.435 108.800 0.098 0.000 2.584 81 G HA2 -0.195 3.753 3.960 -0.020 0.000 0.229 81 G HA3 -0.195 3.753 3.960 -0.020 0.000 0.229 81 G C -0.813 174.142 174.900 0.093 0.000 1.320 81 G CA 0.239 45.401 45.100 0.104 0.000 0.891 81 G HN 0.950 9.240 8.290 -0.000 0.000 0.573 82 E N -1.271 118.992 120.200 0.106 0.000 2.308 82 E HA 0.583 4.921 4.350 -0.020 0.000 0.275 82 E C -0.375 176.316 176.600 0.151 0.000 0.890 82 E CA -0.474 55.995 56.400 0.114 0.000 0.754 82 E CB 2.165 31.925 29.700 0.101 0.000 1.207 82 E HN 1.579 9.939 8.360 -0.000 0.000 0.426 83 V N 0.813 120.835 119.914 0.179 0.000 3.040 83 V HA 0.676 4.783 4.120 -0.020 0.000 0.312 83 V C -1.118 175.163 176.094 0.312 0.000 1.115 83 V CA -0.994 61.454 62.300 0.246 0.000 0.998 83 V CB 1.604 33.553 31.823 0.210 0.000 1.042 83 V HN 0.666 8.856 8.190 -0.000 0.000 0.433 84 F N 2.221 122.298 119.950 0.213 0.000 2.404 84 F HA 0.712 5.226 4.527 -0.021 0.000 0.354 84 F C -0.262 175.698 175.800 0.267 0.000 1.122 84 F CA -0.338 57.791 58.000 0.215 0.000 1.080 84 F CB 1.121 40.257 39.000 0.225 0.000 1.131 84 F HN 0.878 9.178 8.300 -0.000 0.000 0.471 85 D N 4.938 125.225 120.400 -0.188 0.000 2.408 85 D HA 0.563 5.191 4.640 -0.020 0.000 0.243 85 D C -1.578 174.626 176.300 -0.160 0.000 1.075 85 D CA -0.292 53.712 54.000 0.007 0.000 0.832 85 D CB 1.588 42.487 40.800 0.165 0.000 1.162 85 D HN 0.298 8.668 8.370 -0.000 0.000 0.515 86 V N 2.438 122.340 119.914 -0.020 0.000 2.604 86 V HA 0.835 4.943 4.120 -0.020 0.000 0.305 86 V C -0.199 175.985 176.094 0.150 0.000 1.043 86 V CA -0.835 61.446 62.300 -0.032 0.000 0.888 86 V CB 1.601 33.300 31.823 -0.207 0.000 0.995 86 V HN 0.750 8.940 8.190 -0.000 0.000 0.429 87 A N 4.190 127.117 122.820 0.178 0.000 2.343 87 A HA 0.873 5.181 4.320 -0.020 0.000 0.316 87 A C -0.969 176.815 177.584 0.333 0.000 1.104 87 A CA -0.531 51.652 52.037 0.244 0.000 0.768 87 A CB 1.574 20.621 19.000 0.078 0.000 1.213 87 A HN 0.674 8.824 8.150 -0.000 0.000 0.456 88 V N 2.268 122.388 119.914 0.343 0.000 2.459 88 V HA 0.297 4.405 4.120 -0.020 0.000 0.295 88 V C -0.468 175.676 176.094 0.083 0.000 1.029 88 V CA -0.694 61.727 62.300 0.201 0.000 0.874 88 V CB 1.752 33.594 31.823 0.033 0.000 0.985 88 V HN 0.916 9.106 8.190 -0.000 0.000 0.438 89 D N 3.996 124.320 120.400 -0.126 0.000 2.352 89 D HA 0.243 4.871 4.640 -0.020 0.000 0.245 89 D C 0.439 176.576 176.300 -0.272 0.000 1.224 89 D CA 0.113 53.775 54.000 -0.565 0.000 0.879 89 D CB 1.044 41.635 40.800 -0.349 0.000 1.057 89 D HN 0.490 8.860 8.370 -0.000 0.000 0.491 90 L N 3.591 124.685 121.223 -0.215 0.000 2.700 90 L HA 0.234 4.562 4.340 -0.020 0.000 0.234 90 L C 0.697 177.792 176.870 0.376 0.000 1.156 90 L CA -0.170 54.783 54.840 0.190 0.000 0.946 90 L CB 0.083 42.205 42.059 0.105 0.000 1.216 90 L HN 0.073 8.303 8.230 -0.000 0.000 0.493 91 R N 0.595 121.195 120.500 0.166 0.000 2.248 91 R HA 0.168 4.495 4.340 -0.020 0.000 0.337 91 R C 0.990 177.240 176.300 -0.082 0.000 1.085 91 R CA -0.301 55.840 56.100 0.067 0.000 0.934 91 R CB 0.595 30.858 30.300 -0.062 0.000 1.034 91 R HN 0.162 8.432 8.270 -0.000 0.000 0.465 92 R N 1.792 122.030 120.500 -0.436 0.000 2.119 92 R HA -0.175 4.153 4.340 -0.020 0.000 0.246 92 R C 1.845 177.802 176.300 -0.572 0.000 1.146 92 R CA 1.928 57.382 56.100 -1.077 0.000 0.962 92 R CB -0.191 29.714 30.300 -0.658 0.000 0.863 92 R HN 0.737 9.007 8.270 -0.000 0.000 0.442 93 G N -0.106 108.538 108.800 -0.259 0.000 2.920 93 G HA2 -0.083 3.865 3.960 -0.020 0.000 0.208 93 G HA3 -0.083 3.865 3.960 -0.020 0.000 0.208 93 G C 0.279 175.142 174.900 -0.063 0.000 1.159 93 G CA -0.217 44.803 45.100 -0.134 0.000 0.784 93 G HN 0.184 8.474 8.290 -0.000 0.000 0.535 94 S N 0.990 116.668 115.700 -0.036 0.000 2.565 94 S HA 0.343 4.801 4.470 -0.020 0.000 0.276 94 S C -0.680 173.957 174.600 0.063 0.000 1.326 94 S CA -1.231 56.982 58.200 0.021 0.000 1.045 94 S CB 1.634 64.849 63.200 0.025 0.000 0.918 94 S HN 0.043 8.353 8.310 -0.000 0.000 0.505 95 P HA 0.020 4.440 4.420 -0.000 0.000 0.230 95 P C 0.716 178.059 177.300 0.072 0.000 1.158 95 P CA 0.795 63.930 63.100 0.058 0.000 0.769 95 P CB -0.380 31.341 31.700 0.034 0.000 0.807 96 T N -4.602 109.996 114.554 0.074 0.000 3.243 96 T HA 0.186 4.524 4.350 -0.020 0.000 0.264 96 T C 0.035 174.779 174.700 0.073 0.000 1.000 96 T CA -0.830 61.302 62.100 0.052 0.000 0.901 96 T CB -1.188 67.697 68.868 0.028 0.000 1.083 96 T HN -0.185 8.055 8.240 -0.000 0.000 0.559 97 F N 2.682 122.619 119.950 -0.021 0.000 2.578 97 F HA 0.441 4.956 4.527 -0.019 0.000 0.381 97 F C 1.412 177.236 175.800 0.039 0.000 1.069 97 F CA 0.756 58.756 58.000 0.000 0.000 1.231 97 F CB -0.179 38.844 39.000 0.039 0.000 1.086 97 F HN 0.470 8.770 8.300 -0.000 0.000 0.564 98 G N 3.903 112.323 108.800 -0.633 0.000 2.176 98 G HA2 -0.244 3.704 3.960 -0.020 0.000 0.253 98 G HA3 -0.244 3.704 3.960 -0.020 0.000 0.253 98 G C 0.098 174.809 174.900 -0.315 0.000 0.979 98 G CA 0.200 44.909 45.100 -0.652 0.000 0.641 98 G HN 0.726 9.016 8.290 -0.000 0.000 0.530 99 Q N -0.452 119.248 119.800 -0.166 0.000 2.193 99 Q HA 0.681 5.009 4.340 -0.020 0.000 0.246 99 Q C 0.204 176.223 176.000 0.031 0.000 0.959 99 Q CA -0.605 55.153 55.803 -0.076 0.000 0.904 99 Q CB 1.509 30.186 28.738 -0.102 0.000 1.238 99 Q HN 0.664 8.934 8.270 -0.000 0.000 0.469 100 W N -0.394 120.849 121.300 -0.094 0.000 3.083 100 W HA 0.668 5.319 4.660 -0.015 0.000 0.333 100 W C -1.620 174.869 176.519 -0.049 0.000 1.217 100 W CA -1.119 56.186 57.345 -0.066 0.000 1.170 100 W CB 0.314 29.699 29.460 -0.124 0.000 1.437 100 W HN 0.512 8.692 8.180 -0.000 0.000 0.557 101 V N -0.449 119.565 119.914 0.166 0.000 2.876 101 V HA 1.030 5.138 4.120 -0.020 0.000 0.312 101 V C -0.531 175.671 176.094 0.180 0.000 1.085 101 V CA -0.642 61.641 62.300 -0.029 0.000 0.945 101 V CB 1.321 33.103 31.823 -0.069 0.000 1.017 101 V HN 1.141 9.331 8.190 -0.000 0.000 0.428 102 G N 1.825 110.669 108.800 0.073 0.000 2.701 102 G HA2 0.734 4.682 3.960 -0.020 0.000 0.300 102 G HA3 0.734 4.682 3.960 -0.020 0.000 0.300 102 G C -1.472 173.225 174.900 -0.338 0.000 1.410 102 G CA -0.434 44.516 45.100 -0.249 0.000 1.014 102 G HN 0.707 8.997 8.290 -0.000 0.000 0.509 103 E N 0.671 120.590 120.200 -0.467 0.000 2.340 103 E HA 0.330 4.668 4.350 -0.020 0.000 0.273 103 E C -0.506 176.021 176.600 -0.122 0.000 0.891 103 E CA -0.844 55.452 56.400 -0.175 0.000 0.757 103 E CB 2.688 32.347 29.700 -0.068 0.000 1.231 103 E HN 0.489 8.849 8.360 -0.000 0.000 0.439 104 R N 1.572 122.132 120.500 0.100 0.000 2.267 104 R HA 0.388 4.716 4.340 -0.020 0.000 0.319 104 R C -0.188 176.169 176.300 0.095 0.000 1.067 104 R CA -0.072 56.129 56.100 0.167 0.000 0.936 104 R CB 0.360 30.784 30.300 0.208 0.000 1.006 104 R HN 0.213 8.483 8.270 -0.000 0.000 0.452 105 L N 2.333 123.616 121.223 0.100 0.000 2.329 105 L HA 0.527 4.855 4.340 -0.020 0.000 0.279 105 L C 0.013 176.928 176.870 0.075 0.000 1.014 105 L CA -0.610 54.273 54.840 0.073 0.000 0.814 105 L CB 1.863 43.969 42.059 0.078 0.000 1.257 105 L HN 0.724 8.954 8.230 -0.000 0.000 0.424 106 S N 0.685 116.410 115.700 0.041 0.000 2.618 106 S HA 0.616 5.074 4.470 -0.020 0.000 0.277 106 S C 0.500 175.106 174.600 0.010 0.000 1.138 106 S CA -0.178 58.045 58.200 0.038 0.000 0.844 106 S CB 1.805 65.029 63.200 0.041 0.000 1.127 106 S HN 0.651 8.961 8.310 -0.000 0.000 0.474 107 A N 0.591 123.425 122.820 0.024 0.000 1.986 107 A HA -0.075 4.233 4.320 -0.020 0.000 0.220 107 A C 1.706 179.280 177.584 -0.016 0.000 1.171 107 A CA 2.063 54.113 52.037 0.022 0.000 0.640 107 A CB -0.951 18.081 19.000 0.054 0.000 0.811 107 A HN 0.837 8.987 8.150 -0.000 0.000 0.451 108 E N 0.137 120.323 120.200 -0.024 0.000 2.102 108 E HA -0.088 4.250 4.350 -0.020 0.000 0.190 108 E C 1.804 178.337 176.600 -0.111 0.000 0.971 108 E CA 1.199 57.565 56.400 -0.058 0.000 0.821 108 E CB -0.322 29.364 29.700 -0.023 0.000 0.777 108 E HN 0.855 9.215 8.360 -0.000 0.000 0.460 109 N N 0.899 119.550 118.700 -0.082 0.000 2.416 109 N HA -0.098 4.630 4.740 -0.020 0.000 0.177 109 N C 0.019 175.444 175.510 -0.143 0.000 1.036 109 N CA 0.675 53.665 53.050 -0.100 0.000 0.901 109 N CB 0.019 38.477 38.487 -0.049 0.000 0.976 109 N HN -0.030 8.350 8.380 -0.000 0.000 0.444 110 K N -1.053 119.264 120.400 -0.138 0.000 3.193 110 K HA -0.233 4.075 4.320 -0.020 0.000 0.294 110 K C -0.620 175.931 176.600 -0.082 0.000 1.185 110 K CA 0.653 56.842 56.287 -0.163 0.000 0.866 110 K CB -1.197 31.052 32.500 -0.419 0.000 1.227 110 K HN 0.408 8.658 8.250 -0.000 0.000 0.467 111 R N 1.241 121.718 120.500 -0.039 0.000 2.594 111 R HA 0.173 4.501 4.340 -0.020 0.000 0.272 111 R C 0.214 176.543 176.300 0.049 0.000 1.074 111 R CA 0.271 56.381 56.100 0.017 0.000 1.105 111 R CB 0.520 30.829 30.300 0.015 0.000 1.008 111 R HN 0.182 8.452 8.270 -0.000 0.000 0.472 112 Q N 1.646 121.518 119.800 0.121 0.000 2.433 112 Q HA 0.485 4.813 4.340 -0.020 0.000 0.279 112 Q C -0.866 175.273 176.000 0.231 0.000 1.105 112 Q CA -0.799 55.092 55.803 0.148 0.000 0.815 112 Q CB 2.851 31.686 28.738 0.161 0.000 1.403 112 Q HN 0.344 8.614 8.270 -0.000 0.000 0.435 113 M N 1.647 121.367 119.600 0.200 0.000 2.326 113 M HA 0.376 4.844 4.480 -0.020 0.000 0.306 113 M C -1.640 174.853 176.300 0.322 0.000 1.054 113 M CA -0.507 54.922 55.300 0.215 0.000 0.922 113 M CB 2.244 34.897 32.600 0.089 0.000 1.632 113 M HN 0.622 8.912 8.290 -0.000 0.000 0.436 114 W N 6.755 128.197 121.300 0.238 0.000 2.335 114 W HA 0.598 5.246 4.660 -0.019 0.000 0.307 114 W C -2.184 174.363 176.519 0.046 0.000 1.117 114 W CA -0.584 56.923 57.345 0.269 0.000 1.228 114 W CB 0.662 30.459 29.460 0.562 0.000 1.240 114 W HN 0.598 8.778 8.180 -0.000 0.000 0.468 115 I N 9.394 129.527 120.570 -0.728 0.000 2.437 115 I HA 0.213 4.371 4.170 -0.020 0.000 0.279 115 I C -2.018 173.372 176.117 -1.212 0.000 1.028 115 I CA -2.250 58.495 61.300 -0.926 0.000 1.142 115 I CB 1.436 39.135 38.000 -0.502 0.000 1.266 115 I HN 0.118 8.328 8.210 -0.000 0.000 0.461 116 P HA 0.091 4.511 4.420 -0.000 0.000 0.271 116 P C -0.139 177.018 177.300 -0.239 0.000 1.244 116 P CA -0.334 62.327 63.100 -0.731 0.000 0.793 116 P CB 0.573 32.132 31.700 -0.237 0.000 0.984 117 A N 0.859 123.617 122.820 -0.103 0.000 2.531 117 A HA 0.419 4.727 4.320 -0.020 0.000 0.236 117 A C 1.373 178.815 177.584 -0.238 0.000 1.062 117 A CA 0.927 52.893 52.037 -0.119 0.000 0.760 117 A CB -1.478 17.473 19.000 -0.082 0.000 0.995 117 A HN 0.866 9.016 8.150 -0.000 0.000 0.501 118 G N 0.111 108.491 108.800 -0.700 0.000 2.192 118 G HA2 -0.138 3.810 3.960 -0.020 0.000 0.193 118 G HA3 -0.138 3.810 3.960 -0.020 0.000 0.193 118 G C -0.120 174.468 174.900 -0.520 0.000 0.999 118 G CA 0.025 44.513 45.100 -1.020 0.000 0.659 118 G HN 0.692 8.982 8.290 -0.000 0.000 0.503 119 F N 1.164 120.976 119.950 -0.230 0.000 2.546 119 F HA 0.781 5.295 4.527 -0.021 0.000 0.320 119 F C 0.603 176.460 175.800 0.095 0.000 1.076 119 F CA -0.421 57.557 58.000 -0.037 0.000 0.928 119 F CB 2.124 41.092 39.000 -0.054 0.000 1.189 119 F HN 0.255 8.555 8.300 -0.000 0.000 0.465 120 A N 1.824 124.809 122.820 0.275 0.000 2.302 120 A HA 0.451 4.759 4.320 -0.020 0.000 0.285 120 A C -1.149 176.661 177.584 0.378 0.000 1.105 120 A CA -0.270 51.987 52.037 0.367 0.000 0.816 120 A CB 0.480 19.661 19.000 0.300 0.000 1.067 120 A HN 0.881 9.031 8.150 -0.000 0.000 0.489 121 H N 0.351 119.571 119.070 0.250 0.000 2.679 121 H HA 0.622 5.167 4.556 -0.018 0.000 0.360 121 H C -0.468 174.924 175.328 0.108 0.000 1.105 121 H CA 0.021 56.170 56.048 0.167 0.000 1.196 121 H CB 1.907 31.756 29.762 0.145 0.000 1.636 121 H HN 0.951 9.231 8.280 -0.000 0.000 0.531 122 G N 3.063 111.573 108.800 -0.483 0.000 2.692 122 G HA2 0.499 4.447 3.960 -0.020 0.000 0.291 122 G HA3 0.499 4.447 3.960 -0.020 0.000 0.291 122 G C -1.944 172.797 174.900 -0.266 0.000 1.423 122 G CA -0.773 44.057 45.100 -0.450 0.000 0.843 122 G HN 0.543 8.833 8.290 -0.000 0.000 0.486 123 F N -0.931 118.820 119.950 -0.332 0.000 2.645 123 F HA 0.852 5.369 4.527 -0.016 0.000 0.310 123 F C -1.439 174.288 175.800 -0.121 0.000 1.102 123 F CA -1.587 56.330 58.000 -0.138 0.000 0.952 123 F CB 1.933 40.727 39.000 -0.344 0.000 1.326 123 F HN 0.584 8.884 8.300 -0.000 0.000 0.456 124 V N 2.585 122.625 119.914 0.209 0.000 2.735 124 V HA 0.704 4.812 4.120 -0.020 0.000 0.310 124 V C -1.286 174.920 176.094 0.187 0.000 1.061 124 V CA -0.878 61.424 62.300 0.003 0.000 0.913 124 V CB 2.249 34.002 31.823 -0.116 0.000 1.005 124 V HN 0.846 9.036 8.190 -0.000 0.000 0.428 125 V N 7.689 127.658 119.914 0.090 0.000 2.461 125 V HA 0.282 4.390 4.120 -0.020 0.000 0.275 125 V C 0.851 176.982 176.094 0.063 0.000 1.047 125 V CA 0.027 62.402 62.300 0.124 0.000 0.955 125 V CB 1.216 33.101 31.823 0.103 0.000 0.988 125 V HN 0.831 9.021 8.190 -0.000 0.000 0.471 126 L N 3.251 124.527 121.223 0.089 0.000 2.515 126 L HA 0.158 4.486 4.340 -0.020 0.000 0.223 126 L C 1.230 178.119 176.870 0.032 0.000 1.079 126 L CA 0.254 55.128 54.840 0.058 0.000 0.857 126 L CB 0.289 42.403 42.059 0.091 0.000 1.050 126 L HN 0.777 9.007 8.230 -0.000 0.000 0.476 127 S N -1.519 114.205 115.700 0.041 0.000 2.758 127 S HA 0.165 4.623 4.470 -0.020 0.000 0.292 127 S C 0.872 175.454 174.600 -0.030 0.000 1.131 127 S CA -0.664 57.550 58.200 0.023 0.000 0.997 127 S CB 1.824 65.060 63.200 0.060 0.000 1.111 127 S HN 0.147 8.457 8.310 -0.000 0.000 0.552 128 E N -0.365 119.797 120.200 -0.062 0.000 2.070 128 E HA -0.152 4.186 4.350 -0.020 0.000 0.197 128 E C -0.659 175.684 176.600 -0.427 0.000 1.004 128 E CA 1.375 57.636 56.400 -0.233 0.000 0.805 128 E CB 0.013 29.605 29.700 -0.179 0.000 0.744 128 E HN 0.672 9.032 8.360 -0.000 0.000 0.451 129 Y N -2.052 118.275 120.300 0.044 0.000 2.615 129 Y HA 0.623 5.161 4.550 -0.021 0.000 0.341 129 Y C -0.605 175.341 175.900 0.076 0.000 1.089 129 Y CA -0.904 57.231 58.100 0.058 0.000 1.049 129 Y CB 2.291 40.784 38.460 0.056 0.000 1.296 129 Y HN -0.044 8.236 8.280 -0.000 0.000 0.470 130 A N 1.189 124.177 122.820 0.281 0.000 2.455 130 A HA 0.682 4.990 4.320 -0.020 0.000 0.300 130 A C -1.558 176.152 177.584 0.209 0.000 1.040 130 A CA -0.833 51.330 52.037 0.209 0.000 0.697 130 A CB 1.343 20.456 19.000 0.189 0.000 1.265 130 A HN 0.731 8.881 8.150 -0.000 0.000 0.407 131 E N 0.922 121.220 120.200 0.163 0.000 2.171 131 E HA 0.503 4.841 4.350 -0.020 0.000 0.271 131 E C -1.826 174.819 176.600 0.075 0.000 0.916 131 E CA -0.301 56.191 56.400 0.154 0.000 0.774 131 E CB 2.351 32.151 29.700 0.165 0.000 1.128 131 E HN 0.497 8.857 8.360 -0.000 0.000 0.403 132 F N 4.503 124.390 119.950 -0.105 0.000 2.507 132 F HA 0.414 4.931 4.527 -0.017 0.000 0.328 132 F C -1.514 174.225 175.800 -0.102 0.000 1.136 132 F CA -0.701 57.190 58.000 -0.183 0.000 0.930 132 F CB 0.665 39.425 39.000 -0.398 0.000 1.166 132 F HN 0.287 8.587 8.300 -0.000 0.000 0.436 133 L N 7.111 128.001 121.223 -0.554 0.000 2.354 133 L HA 0.671 4.999 4.340 -0.020 0.000 0.269 133 L C -1.369 175.287 176.870 -0.356 0.000 1.005 133 L CA -1.291 53.316 54.840 -0.389 0.000 0.819 133 L CB 1.928 43.734 42.059 -0.421 0.000 1.311 133 L HN 0.728 8.958 8.230 -0.000 0.000 0.423 134 Y N -0.617 119.480 120.300 -0.340 0.000 2.592 134 Y HA 0.658 5.196 4.550 -0.021 0.000 0.334 134 Y C -1.532 174.244 175.900 -0.208 0.000 1.136 134 Y CA -1.365 56.561 58.100 -0.290 0.000 1.042 134 Y CB 1.509 39.859 38.460 -0.184 0.000 1.325 134 Y HN 0.391 8.671 8.280 -0.000 0.000 0.457 135 K N 1.824 122.104 120.400 -0.200 0.000 2.221 135 K HA 0.695 5.003 4.320 -0.020 0.000 0.258 135 K C -0.962 175.717 176.600 0.131 0.000 0.944 135 K CA -0.822 55.296 56.287 -0.281 0.000 0.823 135 K CB 2.189 34.150 32.500 -0.897 0.000 1.113 135 K HN 0.844 9.094 8.250 -0.000 0.000 0.431 136 T N -2.347 112.359 114.554 0.253 0.000 2.893 136 T HA 0.194 4.532 4.350 -0.020 0.000 0.291 136 T C 0.924 175.764 174.700 0.233 0.000 1.028 136 T CA -0.852 61.444 62.100 0.328 0.000 0.995 136 T CB 1.558 70.572 68.868 0.244 0.000 1.051 136 T HN 0.618 8.858 8.240 -0.000 0.000 0.470 137 T N -1.524 113.116 114.554 0.144 0.000 3.148 137 T HA 0.201 4.539 4.350 -0.020 0.000 0.253 137 T C 0.153 174.800 174.700 -0.088 0.000 1.134 137 T CA 0.246 62.321 62.100 -0.041 0.000 1.051 137 T CB -0.198 68.664 68.868 -0.011 0.000 0.959 137 T HN 0.697 8.937 8.240 -0.000 0.000 0.525 138 D N -0.730 119.625 120.400 -0.075 0.000 2.626 138 D HA 0.434 5.061 4.640 -0.020 0.000 0.278 138 D C -1.250 174.963 176.300 -0.145 0.000 1.211 138 D CA -1.015 52.891 54.000 -0.157 0.000 0.903 138 D CB 1.592 42.419 40.800 0.045 0.000 1.408 138 D HN 0.085 8.455 8.370 -0.000 0.000 0.454 139 F N 0.338 120.393 119.950 0.175 0.000 2.380 139 F HA 0.277 4.792 4.527 -0.021 0.000 0.325 139 F C 0.587 176.558 175.800 0.285 0.000 1.136 139 F CA -0.814 57.311 58.000 0.208 0.000 1.171 139 F CB 0.477 39.576 39.000 0.165 0.000 1.230 139 F HN 0.244 8.544 8.300 -0.000 0.000 0.554 140 W N 2.640 124.130 121.300 0.316 0.000 2.295 140 W HA 0.388 5.035 4.660 -0.021 0.000 0.335 140 W C -0.703 175.933 176.519 0.195 0.000 1.351 140 W CA -1.024 56.452 57.345 0.219 0.000 1.273 140 W CB 0.037 29.600 29.460 0.173 0.000 1.214 140 W HN 0.419 8.599 8.180 -0.000 0.000 0.563 141 A N 9.002 131.801 122.820 -0.035 0.000 2.855 141 A HA 0.397 4.705 4.320 -0.020 0.000 0.313 141 A C -1.759 175.652 177.584 -0.288 0.000 1.173 141 A CA -1.072 50.846 52.037 -0.198 0.000 0.753 141 A CB 0.916 19.993 19.000 0.128 0.000 1.200 141 A HN 0.423 8.573 8.150 -0.000 0.000 0.442 142 P HA -0.261 4.159 4.420 -0.000 0.000 0.216 142 P C 1.570 178.745 177.300 -0.209 0.000 1.154 142 P CA 1.855 64.751 63.100 -0.341 0.000 0.865 142 P CB 0.241 31.676 31.700 -0.441 0.000 0.789 143 E N -0.875 119.148 120.200 -0.296 0.000 2.209 143 E HA -0.240 4.098 4.350 -0.020 0.000 0.196 143 E C 1.089 177.517 176.600 -0.286 0.000 0.993 143 E CA 1.483 57.694 56.400 -0.314 0.000 0.819 143 E CB -1.127 28.317 29.700 -0.427 0.000 0.745 143 E HN 0.428 8.788 8.360 -0.000 0.000 0.477 144 H N 0.700 119.742 119.070 -0.046 0.000 2.551 144 H HA 0.307 4.851 4.556 -0.020 0.000 0.271 144 H C -0.030 175.286 175.328 -0.020 0.000 0.984 144 H CA -0.122 55.920 56.048 -0.010 0.000 1.164 144 H CB 0.289 30.072 29.762 0.035 0.000 1.437 144 H HN 0.298 8.578 8.280 -0.000 0.000 0.550 145 E N 1.977 122.207 120.200 0.049 0.000 2.344 145 E HA 0.151 4.489 4.350 -0.020 0.000 0.270 145 E C 0.250 176.781 176.600 -0.115 0.000 1.021 145 E CA 0.040 56.434 56.400 -0.010 0.000 0.887 145 E CB 1.027 30.731 29.700 0.006 0.000 0.997 145 E HN 0.075 8.435 8.360 -0.000 0.000 0.429 146 R N 1.316 121.639 120.500 -0.295 0.000 2.867 146 R HA 0.575 4.903 4.340 -0.020 0.000 0.268 146 R C -1.070 175.007 176.300 -0.373 0.000 1.014 146 R CA -0.745 55.102 56.100 -0.422 0.000 0.946 146 R CB 1.738 31.575 30.300 -0.771 0.000 1.208 146 R HN 0.590 8.860 8.270 -0.000 0.000 0.477 147 C N 1.978 121.207 119.300 -0.118 0.000 2.782 147 C HA 0.658 5.106 4.460 -0.020 0.000 0.328 147 C C -0.813 174.295 174.990 0.197 0.000 1.145 147 C CA -0.537 58.557 59.018 0.128 0.000 1.358 147 C CB 0.767 28.623 27.740 0.193 0.000 1.841 147 C HN 0.775 9.005 8.230 -0.000 0.000 0.477 148 I N 4.618 125.354 120.570 0.276 0.000 2.441 148 I HA 0.376 4.534 4.170 -0.020 0.000 0.295 148 I C 0.266 176.483 176.117 0.167 0.000 0.994 148 I CA -0.614 60.830 61.300 0.239 0.000 1.144 148 I CB 1.860 40.033 38.000 0.289 0.000 1.314 148 I HN 0.488 8.698 8.210 -0.000 0.000 0.445 149 V N 7.464 127.450 119.914 0.119 0.000 2.655 149 V HA -0.035 4.073 4.120 -0.020 0.000 0.300 149 V C 0.995 177.120 176.094 0.052 0.000 1.044 149 V CA 0.082 62.434 62.300 0.086 0.000 1.095 149 V CB 0.795 32.623 31.823 0.008 0.000 0.952 149 V HN 0.943 9.133 8.190 -0.000 0.000 0.485 150 W N 6.761 128.043 121.300 -0.031 0.000 2.325 150 W HA -0.190 4.459 4.660 -0.018 0.000 0.299 150 W C 1.077 177.665 176.519 0.115 0.000 1.215 150 W CA 1.487 58.828 57.345 -0.006 0.000 1.244 150 W CB -1.057 28.226 29.460 -0.294 0.000 1.140 150 W HN 0.837 9.017 8.180 -0.000 0.000 0.523 151 N N 1.376 119.423 118.700 -1.089 0.000 2.376 151 N HA 0.007 4.735 4.740 -0.020 0.000 0.249 151 N C -0.971 174.262 175.510 -0.462 0.000 1.140 151 N CA -0.157 52.292 53.050 -1.001 0.000 0.870 151 N CB -1.028 36.399 38.487 -1.766 0.000 1.124 151 N HN 0.077 8.457 8.380 -0.000 0.000 0.505 152 D N 1.441 121.687 120.400 -0.257 0.000 2.493 152 D HA 0.008 4.636 4.640 -0.020 0.000 0.240 152 D C -1.031 175.201 176.300 -0.114 0.000 1.142 152 D CA -1.108 52.813 54.000 -0.130 0.000 0.872 152 D CB 1.370 42.146 40.800 -0.040 0.000 1.173 152 D HN 0.135 8.505 8.370 -0.000 0.000 0.467 153 P HA -0.077 4.343 4.420 -0.000 0.000 0.225 153 P C 0.638 177.927 177.300 -0.018 0.000 1.156 153 P CA 0.882 63.949 63.100 -0.055 0.000 0.787 153 P CB 0.317 31.992 31.700 -0.041 0.000 0.802 154 E N -0.138 120.072 120.200 0.018 0.000 2.112 154 E HA -0.018 4.320 4.350 -0.020 0.000 0.190 154 E C 2.171 178.763 176.600 -0.014 0.000 0.979 154 E CA 0.663 57.095 56.400 0.053 0.000 0.814 154 E CB -0.351 29.462 29.700 0.189 0.000 0.762 154 E HN 0.221 8.581 8.360 -0.000 0.000 0.460 155 L N 0.561 121.726 121.223 -0.096 0.000 2.109 155 L HA -0.061 4.267 4.340 -0.020 0.000 0.207 155 L C 1.218 178.034 176.870 -0.090 0.000 1.086 155 L CA 0.550 55.289 54.840 -0.169 0.000 0.760 155 L CB -0.267 41.621 42.059 -0.284 0.000 0.910 155 L HN 0.117 8.347 8.230 -0.000 0.000 0.437 156 K N 1.568 121.905 120.400 -0.106 0.000 3.419 156 K HA -0.200 4.108 4.320 -0.020 0.000 0.272 156 K C -0.382 176.125 176.600 -0.156 0.000 0.973 156 K CA -0.023 56.221 56.287 -0.072 0.000 0.749 156 K CB -1.171 31.345 32.500 0.025 0.000 1.403 156 K HN 0.283 8.533 8.250 -0.000 0.000 0.456 157 I N 2.043 122.315 120.570 -0.496 0.000 2.471 157 I HA 0.007 4.165 4.170 -0.020 0.000 0.286 157 I C 0.649 176.324 176.117 -0.736 0.000 1.079 157 I CA -0.225 60.376 61.300 -1.164 0.000 1.398 157 I CB 0.657 37.709 38.000 -1.580 0.000 1.403 157 I HN 0.145 8.355 8.210 -0.000 0.000 0.530 158 D N 6.905 126.994 120.400 -0.518 0.000 2.608 158 D HA 0.075 4.703 4.640 -0.020 0.000 0.224 158 D C -0.549 175.554 176.300 -0.329 0.000 1.123 158 D CA -0.048 53.846 54.000 -0.176 0.000 1.030 158 D CB -0.093 40.770 40.800 0.104 0.000 1.093 158 D HN 0.264 8.634 8.370 -0.000 0.000 0.497 159 W N 2.302 123.500 121.300 -0.172 0.000 2.251 159 W HA 0.182 4.837 4.660 -0.008 0.000 0.327 159 W C -1.282 175.075 176.519 -0.269 0.000 1.361 159 W CA -1.490 55.722 57.345 -0.221 0.000 1.234 159 W CB 0.222 29.672 29.460 -0.018 0.000 1.212 159 W HN 0.180 8.360 8.180 -0.000 0.000 0.557 160 P HA 0.161 4.581 4.420 -0.000 0.000 0.214 160 P C -1.047 176.232 177.300 -0.035 0.000 1.849 160 P CA -0.114 62.895 63.100 -0.151 0.000 1.022 160 P CB 0.233 31.762 31.700 -0.287 0.000 1.912 161 L N 1.415 122.650 121.223 0.021 0.000 2.342 161 L HA 0.348 4.676 4.340 -0.020 0.000 0.271 161 L C 1.260 178.124 176.870 -0.009 0.000 1.008 161 L CA -0.340 54.496 54.840 -0.006 0.000 0.818 161 L CB 1.984 44.022 42.059 -0.035 0.000 1.296 161 L HN 0.044 8.274 8.230 -0.000 0.000 0.427 162 Q N 0.942 120.724 119.800 -0.031 0.000 2.263 162 Q HA 0.167 4.495 4.340 -0.020 0.000 0.196 162 Q C -0.570 175.412 176.000 -0.030 0.000 0.965 162 Q CA 0.410 56.199 55.803 -0.024 0.000 0.851 162 Q CB 0.417 29.138 28.738 -0.029 0.000 0.948 162 Q HN 0.658 8.928 8.270 -0.000 0.000 0.516 163 D N 0.378 120.745 120.400 -0.056 0.000 2.440 163 D HA 0.444 5.072 4.640 -0.020 0.000 0.258 163 D C -0.880 175.363 176.300 -0.095 0.000 1.092 163 D CA -0.415 53.548 54.000 -0.062 0.000 1.016 163 D CB 0.786 41.544 40.800 -0.070 0.000 1.141 163 D HN 0.260 8.630 8.370 -0.000 0.000 0.552 164 A N 1.163 123.932 122.820 -0.085 0.000 2.511 164 A HA 0.381 4.689 4.320 -0.020 0.000 0.242 164 A C -1.987 175.451 177.584 -0.244 0.000 1.069 164 A CA -0.737 51.227 52.037 -0.122 0.000 0.763 164 A CB -0.493 18.474 19.000 -0.056 0.000 1.001 164 A HN 0.385 8.535 8.150 -0.000 0.000 0.498 165 P HA 0.294 4.714 4.420 -0.000 0.000 0.274 165 P C -0.756 176.302 177.300 -0.404 0.000 1.231 165 P CA -0.509 62.270 63.100 -0.535 0.000 0.790 165 P CB 0.726 31.842 31.700 -0.972 0.000 0.951 166 L N 3.072 124.099 121.223 -0.326 0.000 2.290 166 L HA 0.379 4.707 4.340 -0.020 0.000 0.284 166 L C -0.798 175.903 176.870 -0.282 0.000 1.078 166 L CA -0.102 54.593 54.840 -0.242 0.000 0.815 166 L CB -0.416 41.542 42.059 -0.168 0.000 1.162 166 L HN 0.253 8.483 8.230 -0.000 0.000 0.435 167 L N 3.458 124.544 121.223 -0.227 0.000 2.371 167 L HA 0.610 4.938 4.340 -0.020 0.000 0.262 167 L C 0.270 177.071 176.870 -0.115 0.000 1.006 167 L CA -0.785 53.927 54.840 -0.213 0.000 0.818 167 L CB 2.217 44.142 42.059 -0.224 0.000 1.354 167 L HN 0.729 8.959 8.230 -0.000 0.000 0.415 168 S N -0.753 114.897 115.700 -0.083 0.000 2.580 168 S HA 0.044 4.502 4.470 -0.020 0.000 0.266 168 S C 0.785 175.377 174.600 -0.013 0.000 1.354 168 S CA -0.204 57.978 58.200 -0.030 0.000 1.008 168 S CB 1.284 64.486 63.200 0.004 0.000 0.898 168 S HN 0.728 9.038 8.310 -0.000 0.000 0.555 169 E N 1.585 121.786 120.200 0.001 0.000 2.072 169 E HA -0.179 4.159 4.350 -0.020 0.000 0.191 169 E C 1.987 178.603 176.600 0.026 0.000 0.985 169 E CA 1.942 58.348 56.400 0.010 0.000 0.801 169 E CB -0.338 29.369 29.700 0.010 0.000 0.750 169 E HN 0.867 9.227 8.360 -0.000 0.000 0.452 170 K N -0.258 120.163 120.400 0.035 0.000 2.283 170 K HA -0.117 4.191 4.320 -0.020 0.000 0.202 170 K C 1.022 177.669 176.600 0.078 0.000 1.048 170 K CA 1.572 57.889 56.287 0.050 0.000 0.948 170 K CB 0.016 32.543 32.500 0.045 0.000 0.742 170 K HN 0.007 8.257 8.250 -0.000 0.000 0.458 171 D N 1.138 121.585 120.400 0.079 0.000 2.183 171 D HA -0.063 4.565 4.640 -0.020 0.000 0.205 171 D C 1.926 178.276 176.300 0.084 0.000 0.962 171 D CA 0.654 54.706 54.000 0.086 0.000 0.849 171 D CB -0.066 40.747 40.800 0.022 0.000 0.978 171 D HN 0.261 8.631 8.370 -0.000 0.000 0.488 172 R N 0.638 121.171 120.500 0.056 0.000 2.120 172 R HA -0.069 4.259 4.340 -0.020 0.000 0.234 172 R C 1.155 177.502 176.300 0.078 0.000 1.123 172 R CA 1.080 57.227 56.100 0.079 0.000 0.975 172 R CB 0.078 30.402 30.300 0.041 0.000 0.866 172 R HN 0.174 8.444 8.270 -0.000 0.000 0.446 173 Q N -0.100 119.737 119.800 0.061 0.000 2.228 173 Q HA 0.153 4.481 4.340 -0.020 0.000 0.211 173 Q C 0.127 176.163 176.000 0.061 0.000 0.890 173 Q CA -0.130 55.704 55.803 0.052 0.000 0.953 173 Q CB 1.147 29.908 28.738 0.038 0.000 1.053 173 Q HN 0.306 8.576 8.270 -0.000 0.000 0.471 174 G N 1.039 109.889 108.800 0.083 0.000 2.554 174 G HA2 0.011 3.959 3.960 -0.020 0.000 0.238 174 G HA3 0.011 3.959 3.960 -0.020 0.000 0.238 174 G C -0.008 174.941 174.900 0.081 0.000 1.259 174 G CA -0.490 44.667 45.100 0.095 0.000 0.843 174 G HN 0.040 8.330 8.290 -0.000 0.000 0.582 175 K N 0.261 120.718 120.400 0.095 0.000 2.202 175 K HA 0.372 4.680 4.320 -0.020 0.000 0.264 175 K C 0.652 177.311 176.600 0.100 0.000 1.010 175 K CA -0.199 56.141 56.287 0.088 0.000 0.940 175 K CB 1.359 33.920 32.500 0.101 0.000 0.983 175 K HN 0.554 8.804 8.250 -0.000 0.000 0.475 176 A N 1.948 124.814 122.820 0.076 0.000 2.425 176 A HA 0.039 4.347 4.320 -0.020 0.000 0.249 176 A C 0.943 178.614 177.584 0.145 0.000 1.084 176 A CA -0.261 51.828 52.037 0.088 0.000 0.781 176 A CB -0.095 18.933 19.000 0.047 0.000 1.019 176 A HN 0.754 8.904 8.150 -0.000 0.000 0.490 177 F N 2.684 122.642 119.950 0.014 0.000 2.154 177 F HA -0.213 4.301 4.527 -0.021 0.000 0.301 177 F C 2.196 178.013 175.800 0.028 0.000 1.087 177 F CA 2.085 60.094 58.000 0.016 0.000 1.274 177 F CB -0.556 38.425 39.000 -0.031 0.000 1.009 177 F HN 0.555 8.855 8.300 -0.000 0.000 0.485 178 A N -0.588 122.138 122.820 -0.157 0.000 2.070 178 A HA -0.142 4.166 4.320 -0.020 0.000 0.220 178 A C 1.612 179.107 177.584 -0.149 0.000 1.159 178 A CA 1.808 53.704 52.037 -0.235 0.000 0.656 178 A CB -0.656 18.286 19.000 -0.097 0.000 0.800 178 A HN 0.466 8.616 8.150 -0.000 0.000 0.453 179 D N -0.581 119.780 120.400 -0.064 0.000 2.369 179 D HA 0.354 4.982 4.640 -0.020 0.000 0.211 179 D C 0.541 176.846 176.300 0.007 0.000 1.077 179 D CA 0.580 54.565 54.000 -0.024 0.000 0.842 179 D CB 0.202 41.004 40.800 0.003 0.000 0.947 179 D HN 0.396 8.766 8.370 -0.000 0.000 0.509 180 A N 0.773 123.605 122.820 0.020 0.000 2.316 180 A HA 0.247 4.555 4.320 -0.020 0.000 0.284 180 A C -0.024 177.617 177.584 0.095 0.000 1.115 180 A CA -0.465 51.641 52.037 0.117 0.000 0.812 180 A CB 0.648 19.797 19.000 0.248 0.000 1.064 180 A HN -0.170 7.980 8.150 -0.000 0.000 0.489 181 D N 0.828 121.311 120.400 0.138 0.000 2.371 181 D HA 0.345 4.973 4.640 -0.020 0.000 0.256 181 D C -0.223 176.113 176.300 0.059 0.000 1.193 181 D CA 0.496 54.545 54.000 0.082 0.000 0.881 181 D CB 0.571 41.416 40.800 0.075 0.000 1.143 181 D HN 0.458 8.828 8.370 -0.000 0.000 0.473 182 C N 2.230 121.508 119.300 -0.037 0.000 2.668 182 C HA 0.535 4.983 4.460 -0.020 0.000 0.355 182 C C 0.306 175.173 174.990 -0.205 0.000 1.277 182 C CA -0.810 58.165 59.018 -0.072 0.000 1.787 182 C CB 0.707 28.535 27.740 0.147 0.000 2.233 182 C HN 0.473 8.703 8.230 -0.000 0.000 0.495 183 F N 1.194 121.145 119.950 0.001 0.000 2.380 183 F HA 0.444 4.959 4.527 -0.021 0.000 0.319 183 F C -1.575 174.185 175.800 -0.066 0.000 1.113 183 F CA -1.531 56.458 58.000 -0.019 0.000 1.056 183 F CB 0.034 39.017 39.000 -0.028 0.000 1.289 183 F HN 0.324 8.624 8.300 -0.000 0.000 0.515 184 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 184 P CA 0.000 63.114 63.100 0.023 0.000 0.800 184 P CB 0.000 31.721 31.700 0.035 0.000 0.726